data_r5gsasf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-02-01 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5gsa 
_cell.length_a      93.7930 
_cell.length_b      177.9080 
_cell.length_c      50.5320 
_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   0.97930 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.488 
_diffrn_reflns.pdbx_d_res_low    43.938 
_diffrn_reflns.limit_h_max       37 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       71 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       20 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            30269 
_diffrn_reflns.pdbx_number_obs   30269 
# 
_entry.id   5gsa 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5gsa 
_symmetry.space_group_name_H-M   "P 21 21 2" 
_symmetry.Int_Tables_number      18 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X,  -Y,  Z"         
3 "X+1/2,  -Y+1/2,  -Z" 
4 "-X+1/2,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  2  o 544.0346 15.98487 2970.408   173.5953 2970.408   173.5953 2970.408   173.5953 544.0346 15.98487 544.0346 15.98487 -0.000000 0.000000 
1 1 1 0  0  3  o 23.95692 7.995250 7.374964   3.403830 7.374964   3.403830 7.374964   3.403830 23.95692 7.995250 23.95692 7.995250 -0.000000 0.000000 
1 1 1 0  0  4  o 970.8026 28.27786 9471.724   548.0166 9471.724   548.0166 9471.724   548.0166 970.8026 28.27786 970.8026 28.27786 -0.000000 0.000000 
1 1 1 0  0  5  o 233.6077 7.423257 547.4493   34.60560 547.4493   34.60560 547.4493   34.60560 233.6077 7.423257 233.6077 7.423257 -0.000000 0.000000 
1 1 1 0  0  6  o 957.6558 28.13280 9241.965   537.8051 9241.965   537.8051 9241.965   537.8051 957.6558 28.13280 957.6558 28.13280 -0.000000 0.000000 
1 1 1 0  0  7  o 72.17819 6.382580 53.32666   9.076880 53.32666   9.076880 53.32666   9.076880 72.17819 6.382580 72.17819 6.382580 -0.000000 0.000000 
1 1 1 0  0  8  o 1186.664 34.72545 14254.67   822.5922 14254.67   822.5922 14254.67   822.5922 1186.664 34.72545 1186.664 34.72545 -0.000000 0.000000 
1 1 1 0  0  9  o 29.68149 14.57992 13.04801   10.21149 13.04801   10.21149 13.04801   10.21149 29.68149 14.57992 29.68149 14.57992 -0.000000 0.000000 
1 1 1 0  0  10 o 118.7534 7.954996 142.9609   18.72106 142.9609   18.72106 142.9609   18.72106 118.7534 7.954996 118.7534 7.954996 -0.000000 0.000000 
1 1 1 0  0  11 o 83.04306 10.15663 72.04772   16.45185 72.04772   16.45185 72.04772   16.45185 83.04306 10.15663 83.04306 10.15663 -0.000000 0.000000 
1 1 1 0  0  12 o 103.0671 10.37327 109.4899   20.99029 109.4899   20.99029 109.4899   20.99029 103.0671 10.37327 103.0671 10.37327 -0.000000 0.000000 
1 1 1 0  0  13 o 645.2404 28.34052 4212.239   364.2098 4212.239   364.2098 4212.239   364.2098 645.2404 28.34052 645.2404 28.34052 -0.000000 0.000000 
1 1 1 0  0  14 o 480.8951 21.50372 2336.162   205.9317 2336.162   205.9317 2336.162   205.9317 480.8951 21.50372 480.8951 21.50372 -0.000000 0.000000 
1 1 1 0  0  15 o 425.1231 19.16631 1825.587   162.2492 1825.587   162.2492 1825.587   162.2492 425.1231 19.16631 425.1231 19.16631 -0.000000 0.000000 
1 1 1 0  0  16 o 112.0839 13.75437 131.6148   30.06716 131.6148   30.06716 131.6148   30.06716 112.0839 13.75437 112.0839 13.75437 -0.000000 0.000000 
1 1 1 0  0  17 o 226.3716 12.10213 519.0840   54.46128 519.0840   54.46128 519.0840   54.46128 226.3716 12.10213 226.3716 12.10213 -0.000000 0.000000 
1 1 1 0  0  18 o 85.16441 23.52317 88.49958   34.60560 88.49958   34.60560 88.49958   34.60560 85.16441 23.52317 85.16441 23.52317 -0.000000 0.000000 
1 1 1 0  0  19 o 89.41683 20.01325 92.47070   31.20177 92.47070   31.20177 92.47070   31.20177 89.41683 20.01325 89.41683 20.01325 -0.000000 0.000000 
1 1 1 0  0  20 o 63.40185 25.43544 57.86510   31.20177 57.86510   31.20177 57.86510   31.20177 63.40185 25.43544 63.40185 25.43544 -0.000000 0.000000 
1 1 1 0  1  2  o 41.09606 2.081998 17.01915   1.701915 17.01915   1.701915 17.01915   1.701915 41.09606 2.081998 41.09606 2.081998 -0.000000 0.000000 
1 1 1 0  1  3  o 91.21592 2.491858 83.39383   4.538440 83.39383   4.538440 83.39383   4.538440 91.21592 2.491858 91.21592 2.491858 -0.000000 0.000000 
1 1 1 0  1  4  o 489.2121 10.27281 2397.998   100.4130 2397.998   100.4130 2397.998   100.4130 489.2121 10.27281 489.2121 10.27281 -0.000000 0.000000 
1 1 1 0  1  5  o 24.44707 8.868405 7.942269   3.971134 7.942269   3.971134 7.942269   3.971134 24.44707 8.868405 24.44707 8.868405 -0.000000 0.000000 
1 1 1 0  1  6  o 183.3810 4.491680 336.9791   16.45185 336.9791   16.45185 336.9791   16.45185 183.3810 4.491680 183.3810 4.491680 -0.000000 0.000000 
1 1 1 0  1  7  o 14.42746 9.363333 0.000000   6.240355 0.000000   6.240355 0.000000   6.240355 14.42746 9.363333 14.42746 9.363333 -0.000000 0.000000 
1 1 1 0  1  8  o 31.46296 12.30954 13.61532   7.374964 13.61532   7.374964 13.61532   7.374964 31.46296 12.30954 31.46296 12.30954 -0.000000 0.000000 
1 1 1 0  1  9  o 270.5328 6.088132 733.5253   32.90369 733.5253   32.90369 733.5253   32.90369 270.5328 6.088132 270.5328 6.088132 -0.000000 0.000000 
1 1 1 0  1  10 o 653.3976 18.48273 4295.066   241.1046 4295.066   241.1046 4295.066   241.1046 653.3976 18.48273 653.3976 18.48273 -0.000000 0.000000 
1 1 1 0  1  11 o 148.9612 5.731061 222.9509   17.01915 222.9509   17.01915 222.9509   17.01915 148.9612 5.731061 148.9612 5.731061 -0.000000 0.000000 
1 1 1 0  1  12 o 583.7354 17.96817 3429.926   209.3355 3429.926   209.3355 3429.926   209.3355 583.7354 17.96817 583.7354 17.96817 -0.000000 0.000000 
1 1 1 0  1  13 o 185.7992 7.507207 347.1906   27.79794 347.1906   27.79794 347.1906   27.79794 185.7992 7.507207 185.7992 7.507207 -0.000000 0.000000 
1 1 1 0  1  14 o 328.5491 10.81760 1085.254   70.91312 1085.254   70.91312 1085.254   70.91312 328.5491 10.81760 328.5491 10.81760 -0.000000 0.000000 
1 1 1 0  1  15 o 207.6607 8.361640 433.9883   34.60560 433.9883   34.60560 433.9883   34.60560 207.6607 8.361640 207.6607 8.361640 -0.000000 0.000000 
1 1 1 0  1  16 o 320.9896 10.54076 1037.601   67.50929 1037.601   67.50929 1037.601   67.50929 320.9896 10.54076 320.9896 10.54076 -0.000000 0.000000 
1 1 1 0  1  17 o 25.51266 16.61540 0.000000   19.85567 0.000000   19.85567 0.000000   19.85567 25.51266 16.61540 25.51266 16.61540 -0.000000 0.000000 
1 1 1 0  1  18 o 198.9699 8.588135 400.5173   34.03830 400.5173   34.03830 400.5173   34.03830 198.9699 8.588135 198.9699 8.588135 -0.000000 0.000000 
1 1 1 0  1  19 f 33.65822 19.64422 15.31723   21.55759 15.31723   21.55759 15.31723   21.55759 33.65822 19.64422 33.65822 19.64422 -0.000000 0.000000 
1 1 1 0  1  20 o 113.7977 11.42568 136.1532   25.52872 136.1532   25.52872 136.1532   25.52872 113.7977 11.42568 113.7977 11.42568 -0.000000 0.000000 
1 1 1 0  2  1  o 284.5719 12.20907 815.2172   69.21120 815.2172   69.21120 815.2172   69.21120 284.5719 12.20907 284.5719 12.20907 -0.000000 0.000000 
1 1 1 0  2  2  o 191.2298 4.902052 366.4790   18.72106 366.4790   18.72106 366.4790   18.72106 191.2298 4.902052 191.2298 4.902052 -0.000000 0.000000 
1 1 1 0  2  3  o 144.3654 3.344187 208.7682   9.644185 208.7682   9.644185 208.7682   9.644185 144.3654 3.344187 144.3654 3.344187 -0.000000 0.000000 
1 1 1 0  2  4  o 137.3054 3.517062 188.9126   9.644185 188.9126   9.644185 188.9126   9.644185 137.3054 3.517062 137.3054 3.517062 -0.000000 0.000000 
1 1 1 0  2  5  o 61.77765 3.700771 38.57674   4.538440 38.57674   4.538440 38.57674   4.538440 61.77765 3.700771 61.77765 3.700771 -0.000000 0.000000 
1 1 1 0  2  6  o 661.2332 13.74042 4388.671   181.5376 4388.671   181.5376 4388.671   181.5376 661.2332 13.74042 661.2332 13.74042 -0.000000 0.000000 
1 1 1 0  2  7  o 38.71290 7.341645 16.45185   5.105744 16.45185   5.105744 16.45185   5.105744 38.71290 7.341645 38.71290 7.341645 -0.000000 0.000000 
1 1 1 0  2  8  o 387.3079 8.431140 1503.926   65.24007 1503.926   65.24007 1503.926   65.24007 387.3079 8.431140 387.3079 8.431140 -0.000000 0.000000 
1 1 1 0  2  9  o 277.0294 6.355662 769.2656   35.17290 769.2656   35.17290 769.2656   35.17290 277.0294 6.355662 277.0294 6.355662 -0.000000 0.000000 
1 1 1 0  2  10 o 71.24542 8.144928 52.75936   11.34610 52.75936   11.34610 52.75936   11.34610 71.24542 8.144928 71.24542 8.144928 -0.000000 0.000000 
1 1 1 0  2  11 o 125.5633 6.130557 158.8454   15.31723 158.8454   15.31723 158.8454   15.31723 125.5633 6.130557 125.5633 6.130557 -0.000000 0.000000 
1 1 1 0  2  12 o 339.2547 10.97822 1156.167   74.31695 1156.167   74.31695 1156.167   74.31695 339.2547 10.97822 339.2547 10.97822 -0.000000 0.000000 
1 1 1 0  2  13 o 321.1860 10.35640 1036.466   66.37468 1036.466   66.37468 1036.466   66.37468 321.1860 10.35640 321.1860 10.35640 -0.000000 0.000000 
1 1 1 0  2  14 o 267.7001 9.456154 720.4773   50.49014 720.4773   50.49014 720.4773   50.49014 267.7001 9.456154 267.7001 9.456154 -0.000000 0.000000 
1 1 1 0  2  15 o 275.2738 9.401002 761.8906   51.62476 761.8906   51.62476 761.8906   51.62476 275.2738 9.401002 275.2738 9.401002 -0.000000 0.000000 
1 1 1 0  2  16 o 63.15950 18.62345 49.35553   20.42298 49.35553   20.42298 49.35553   20.42298 63.15950 18.62345 63.15950 18.62345 -0.000000 0.000000 
1 1 1 0  2  17 o 174.9680 8.636993 309.7485   30.06716 309.7485   30.06716 309.7485   30.06716 174.9680 8.636993 174.9680 8.636993 -0.000000 0.000000 
1 1 1 0  2  18 o 33.99780 20.01584 14.74993   22.69220 14.74993   22.69220 14.74993   22.69220 33.99780 20.01584 33.99780 20.01584 -0.000000 0.000000 
1 1 1 0  2  19 o 23.56694 16.05371 -9.076880  22.12490 -9.076880  22.12490 -9.076880  22.12490 23.56694 16.05371 23.56694 16.05371 -0.000000 0.000000 
1 1 1 0  2  20 f 97.18133 13.39615 99.84568   25.52872 99.84568   25.52872 99.84568   25.52872 97.18133 13.39615 97.18133 13.39615 -0.000000 0.000000 
1 1 1 0  3  1  o 198.4985 8.753484 396.5462   34.60560 396.5462   34.60560 396.5462   34.60560 198.4985 8.753484 198.4985 8.753484 -0.000000 0.000000 
1 1 1 0  3  2  o 258.5442 6.592186 669.9872   34.03830 669.9872   34.03830 669.9872   34.03830 258.5442 6.592186 258.5442 6.592186 -0.000000 0.000000 
1 1 1 0  3  3  o 94.22710 3.017104 89.06688   5.673049 89.06688   5.673049 89.06688   5.673049 94.22710 3.017104 94.22710 3.017104 -0.000000 0.000000 
1 1 1 0  3  4  o 353.6149 7.628335 1252.609   53.89397 1252.609   53.89397 1252.609   53.89397 353.6149 7.628335 353.6149 7.628335 -0.000000 0.000000 
1 1 1 0  3  5  o 158.9135 3.932230 253.0180   12.48071 253.0180   12.48071 253.0180   12.48071 158.9135 3.932230 158.9135 3.932230 -0.000000 0.000000 
1 1 1 0  3  6  o 456.0063 9.775973 2084.846   89.06688 2084.846   89.06688 2084.846   89.06688 456.0063 9.775973 456.0063 9.775973 -0.000000 0.000000 
1 1 1 0  3  7  f 122.8694 3.933427 151.4704   9.644185 151.4704   9.644185 151.4704   9.644185 122.8694 3.933427 122.8694 3.933427 -0.000000 0.000000 
1 1 1 0  3  8  o 45.75971 8.166799 22.69220   6.807660 22.69220   6.807660 22.69220   6.807660 45.75971 8.166799 45.75971 8.166799 -0.000000 0.000000 
1 1 1 0  3  9  o 158.4704 4.662747 251.8834   14.74993 251.8834   14.74993 251.8834   14.74993 158.4704 4.662747 158.4704 4.662747 -0.000000 0.000000 
1 1 1 0  3  10 o 110.0214 5.442475 121.9706   11.91340 121.9706   11.91340 121.9706   11.91340 110.0214 5.442475 110.0214 5.442475 -0.000000 0.000000 
1 1 1 0  3  11 o 14.81480 10.55425 -14.74993  12.48071 -14.74993  12.48071 -14.74993  12.48071 14.81480 10.55425 14.81480 10.55425 -0.000000 0.000000 
1 1 1 0  3  12 f 397.5279 12.51424 1587.886   99.27837 1587.886   99.27837 1587.886   99.27837 397.5279 12.51424 397.5279 12.51424 -0.000000 0.000000 
1 1 1 0  3  13 o 415.1756 13.00911 1733.117   107.7879 1733.117   107.7879 1733.117   107.7879 415.1756 13.00911 415.1756 13.00911 -0.000000 0.000000 
1 1 1 0  3  14 o 621.0836 19.26813 3894.549   238.8354 3894.549   238.8354 3894.549   238.8354 621.0836 19.26813 621.0836 19.26813 -0.000000 0.000000 
1 1 1 0  3  15 o 642.9553 20.07215 4183.307   257.5565 4183.307   257.5565 4183.307   257.5565 642.9553 20.07215 642.9553 20.07215 -0.000000 0.000000 
1 1 1 0  3  16 o 34.97092 19.61737 17.01915   20.42298 17.01915   20.42298 17.01915   20.42298 34.97092 19.61737 34.97092 19.61737 -0.000000 0.000000 
1 1 1 0  3  17 o 35.03247 19.46738 17.58645   19.85567 17.58645   19.85567 17.58645   19.85567 35.03247 19.46738 35.03247 19.46738 -0.000000 0.000000 
1 1 1 0  3  18 o 18.29078 13.29535 -42.54787  24.39412 -42.54787  24.39412 -42.54787  24.39412 18.29078 13.29535 18.29078 13.29535 -0.000000 0.000000 
1 1 1 0  3  19 o 77.42899 17.21197 69.77851   23.25950 69.77851   23.25950 69.77851   23.25950 77.42899 17.21197 77.42899 17.21197 -0.000000 0.000000 
1 1 1 0  3  20 o 135.2389 9.965837 188.9126   26.66333 188.9126   26.66333 188.9126   26.66333 135.2389 9.965837 135.2389 9.965837 -0.000000 0.000000 
1 1 1 0  4  1  o 264.7269 6.544971 702.3236   34.60560 702.3236   34.60560 702.3236   34.60560 264.7269 6.544971 264.7269 6.544971 -0.000000 0.000000 
1 1 1 0  4  3  o 80.26692 2.834823 64.67276   4.538440 64.67276   4.538440 64.67276   4.538440 80.26692 2.834823 80.26692 2.834823 -0.000000 0.000000 
1 1 1 0  4  4  o 73.60127 3.094952 54.46128   4.538440 54.46128   4.538440 54.46128   4.538440 73.60127 3.094952 73.60127 3.094952 -0.000000 0.000000 
1 1 1 0  4  5  o 91.74680 3.411135 84.52843   6.240355 84.52843   6.240355 84.52843   6.240355 91.74680 3.411135 91.74680 3.411135 -0.000000 0.000000 
1 1 1 0  4  6  o 353.9297 7.782314 1255.446   55.02858 1255.446   55.02858 1255.446   55.02858 353.9297 7.782314 353.9297 7.782314 -0.000000 0.000000 
1 1 1 0  4  7  o 44.99562 5.590048 20.42298   5.105744 20.42298   5.105744 20.42298   5.105744 44.99562 5.590048 44.99562 5.590048 -0.000000 0.000000 
1 1 1 0  4  8  o 274.0878 6.112652 752.8137   33.47099 752.8137   33.47099 752.8137   33.47099 274.0878 6.112652 274.0878 6.112652 -0.000000 0.000000 
1 1 1 0  4  9  o 33.64874 12.66796 15.31723   7.942269 15.31723   7.942269 15.31723   7.942269 33.64874 12.66796 33.64874 12.66796 -0.000000 0.000000 
1 1 1 0  4  10 o 251.8452 8.808693 637.0835   44.24979 637.0835   44.24979 637.0835   44.24979 251.8452 8.808693 251.8452 8.808693 -0.000000 0.000000 
1 1 1 0  4  11 o 170.5600 6.170981 292.1620   20.99029 292.1620   20.99029 292.1620   20.99029 170.5600 6.170981 170.5600 6.170981 -0.000000 0.000000 
1 1 1 0  4  12 o 235.6420 8.085934 557.6608   38.00943 557.6608   38.00943 557.6608   38.00943 235.6420 8.085934 235.6420 8.085934 -0.000000 0.000000 
1 1 1 0  4  13 o 206.0016 7.873604 426.6133   32.33638 426.6133   32.33638 426.6133   32.33638 206.0016 7.873604 206.0016 7.873604 -0.000000 0.000000 
1 1 1 0  4  14 o 259.8111 9.085955 678.4968   47.08631 678.4968   47.08631 678.4968   47.08631 259.8111 9.085955 259.8111 9.085955 -0.000000 0.000000 
1 1 1 0  4  15 o 177.4614 9.487697 318.2581   33.47099 318.2581   33.47099 318.2581   33.47099 177.4614 9.487697 177.4614 9.487697 -0.000000 0.000000 
1 1 1 0  4  16 o 36.13622 19.88050 18.72106   20.42298 18.72106   20.42298 18.72106   20.42298 36.13622 19.88050 36.13622 19.88050 -0.000000 0.000000 
1 1 1 0  4  17 o 75.60201 15.74230 64.67276   20.99029 64.67276   20.99029 64.67276   20.99029 75.60201 15.74230 75.60201 15.74230 -0.000000 0.000000 
1 1 1 0  4  18 o 117.2075 11.07391 142.3935   25.52872 142.3935   25.52872 142.3935   25.52872 117.2075 11.07391 117.2075 11.07391 -0.000000 0.000000 
1 1 1 0  4  19 o 149.2201 9.196498 227.4893   27.23064 227.4893   27.23064 227.4893   27.23064 149.2201 9.196498 149.2201 9.196498 -0.000000 0.000000 
1 1 1 0  4  20 f 20.39414 14.32047 -17.58645  20.99029 -17.58645  20.99029 -17.58645  20.99029 20.39414 14.32047 20.39414 14.32047 -0.000000 0.000000 
1 1 1 0  5  1  o 49.22657 2.315839 24.39412   2.269220 24.39412   2.269220 24.39412   2.269220 49.22657 2.315839 49.22657 2.315839 -0.000000 0.000000 
1 1 1 0  5  2  o 910.9399 26.92434 8368.883   489.5842 8368.883   489.5842 8368.883   489.5842 910.9399 26.92434 910.9399 26.92434 -0.000000 0.000000 
1 1 1 0  5  3  o 44.03980 3.923473 19.85567   3.403830 19.85567   3.403830 19.85567   3.403830 44.03980 3.923473 44.03980 3.923473 -0.000000 0.000000 
1 1 1 0  5  4  o 655.4592 15.90284 4309.816   208.2009 4309.816   208.2009 4309.816   208.2009 655.4592 15.90284 655.4592 15.90284 -0.000000 0.000000 
1 1 1 0  5  5  f 25.67071 8.669340 8.509575   3.971134 8.509575   3.971134 8.509575   3.971134 25.67071 8.669340 25.67071 8.669340 -0.000000 0.000000 
1 1 1 0  5  6  o 926.8912 22.30735 8659.910   412.9980 8659.910   412.9980 8659.910   412.9980 926.8912 22.30735 926.8912 22.30735 -0.000000 0.000000 
1 1 1 0  5  7  o 155.6133 4.382409 242.8065   13.61532 242.8065   13.61532 242.8065   13.61532 155.6133 4.382409 155.6133 4.382409 -0.000000 0.000000 
1 1 1 0  5  8  o 467.0169 9.971002 2187.528   93.03801 2187.528   93.03801 2187.528   93.03801 467.0169 9.971002 467.0169 9.971002 -0.000000 0.000000 
1 1 1 0  5  9  o 85.62241 5.682862 74.31695   9.644185 74.31695   9.644185 74.31695   9.644185 85.62241 5.682862 85.62241 5.682862 -0.000000 0.000000 
1 1 1 0  5  10 f 689.8099 27.73006 4817.554   381.2289 4817.554   381.2289 4817.554   381.2289 689.8099 27.73006 689.8099 27.73006 -0.000000 0.000000 
1 1 1 0  5  11 o 144.9119 5.695609 211.0374   16.45185 211.0374   16.45185 211.0374   16.45185 144.9119 5.695609 144.9119 5.695609 -0.000000 0.000000 
1 1 1 0  5  12 o 421.1863 13.29632 1783.039   111.7591 1783.039   111.7591 1783.039   111.7591 421.1863 13.29632 421.1863 13.29632 -0.000000 0.000000 
1 1 1 0  5  13 o 108.6998 8.181477 120.2687   17.58645 120.2687   17.58645 120.2687   17.58645 108.6998 8.181477 108.6998 8.181477 -0.000000 0.000000 
1 1 1 0  5  14 o 708.0125 22.04170 5071.139   311.4504 5071.139   311.4504 5071.139   311.4504 708.0125 22.04170 708.0125 22.04170 -0.000000 0.000000 
1 1 1 0  5  15 o 174.3996 9.492600 307.4793   32.90369 307.4793   32.90369 307.4793   32.90369 174.3996 9.492600 174.3996 9.492600 -0.000000 0.000000 
1 1 1 0  5  16 o 34.96503 19.61604 17.01915   20.42298 17.01915   20.42298 17.01915   20.42298 34.96503 19.61604 34.96503 19.61604 -0.000000 0.000000 
1 1 1 0  5  17 o 30.69416 18.55141 10.21149   20.42298 10.21149   20.42298 10.21149   20.42298 30.69416 18.55141 30.69416 18.55141 -0.000000 0.000000 
1 1 1 0  5  18 o 309.6482 12.59500 976.3318   77.72078 976.3318   77.72078 976.3318   77.72078 309.6482 12.59500 309.6482 12.59500 -0.000000 0.000000 
1 1 1 0  5  19 o 42.14490 21.74607 27.79794   23.25950 27.79794   23.25950 27.79794   23.25950 42.14490 21.74607 42.14490 21.74607 -0.000000 0.000000 
1 1 1 0  5  20 o 70.27524 22.50453 65.80738   27.79794 65.80738   27.79794 65.80738   27.79794 70.27524 22.50453 70.27524 22.50453 -0.000000 0.000000 
1 1 1 0  6  0  o 33.54818 4.163949 11.34610   2.836525 11.34610   2.836525 11.34610   2.836525 33.54818 4.163949 33.54818 4.163949 0.000000  0.000000 
1 1 1 0  6  1  o 196.0954 4.489389 385.2001   17.58645 385.2001   17.58645 385.2001   17.58645 196.0954 4.489389 196.0954 4.489389 -0.000000 0.000000 
1 1 1 0  6  2  o 959.0520 22.92116 9253.311   439.0940 9253.311   439.0940 9253.311   439.0940 959.0520 22.92116 959.0520 22.92116 -0.000000 0.000000 
1 1 1 0  6  3  o 87.36361 2.929345 76.58617   5.105744 76.58617   5.105744 76.58617   5.105744 87.36361 2.929345 87.36361 2.929345 -0.000000 0.000000 
1 1 1 0  6  4  o 736.2368 15.34874 5434.214   225.7874 5434.214   225.7874 5434.214   225.7874 736.2368 15.34874 736.2368 15.34874 -0.000000 0.000000 
1 1 1 0  6  5  o 98.59533 3.461657 97.57646   6.807660 97.57646   6.807660 97.57646   6.807660 98.59533 3.461657 98.59533 3.461657 -0.000000 0.000000 
1 1 1 0  6  6  o 589.3851 14.40904 3488.926   169.6242 3488.926   169.6242 3488.926   169.6242 589.3851 14.40904 589.3851 14.40904 -0.000000 0.000000 
1 1 1 0  6  7  o 73.56201 5.458210 55.02858   7.942269 55.02858   7.942269 55.02858   7.942269 73.56201 5.458210 73.56201 5.458210 -0.000000 0.000000 
1 1 1 0  6  8  f 649.2253 13.64499 4233.229   176.9992 4233.229   176.9992 4233.229   176.9992 649.2253 13.64499 649.2253 13.64499 -0.000000 0.000000 
1 1 1 0  6  9  o 251.4298 8.937127 635.3815   44.81709 635.3815   44.81709 635.3815   44.81709 251.4298 8.937127 251.4298 8.937127 -0.000000 0.000000 
1 1 1 0  6  10 o 196.2109 7.541623 386.9020   29.49986 386.9020   29.49986 386.9020   29.49986 196.2109 7.541623 196.2109 7.541623 -0.000000 0.000000 
1 1 1 0  6  11 o 97.25244 6.475158 95.87454   12.48071 95.87454   12.48071 95.87454   12.48071 97.25244 6.475158 97.25244 6.475158 -0.000000 0.000000 
1 1 1 0  6  12 o 712.8825 22.09007 5126.735   314.2870 5126.735   314.2870 5126.735   314.2870 712.8825 22.09007 712.8825 22.09007 -0.000000 0.000000 
1 1 1 0  6  13 o 99.01491 8.722919 100.4130   17.01915 100.4130   17.01915 100.4130   17.01915 99.01491 8.722919 99.01491 8.722919 -0.000000 0.000000 
1 1 1 0  6  14 o 484.4771 17.67434 2369.633   170.7588 2369.633   170.7588 2369.633   170.7588 484.4771 17.67434 484.4771 17.67434 -0.000000 0.000000 
1 1 1 0  6  15 o 256.3086 9.323068 660.9103   47.65361 660.9103   47.65361 660.9103   47.65361 256.3086 9.323068 256.3086 9.323068 -0.000000 0.000000 
1 1 1 0  6  16 o 424.8950 15.93731 1829.558   135.0186 1829.558   135.0186 1829.558   135.0186 424.8950 15.93731 424.8950 15.93731 -0.000000 0.000000 
1 1 1 0  6  17 o 146.6496 9.560822 218.9797   27.79794 218.9797   27.79794 218.9797   27.79794 146.6496 9.560822 146.6496 9.560822 -0.000000 0.000000 
1 1 1 0  6  18 o 22.19121 15.54072 -20.42298  24.39412 -20.42298  24.39412 -20.42298  24.39412 22.19121 15.54072 22.19121 15.54072 -0.000000 0.000000 
1 1 1 0  6  19 o 176.0535 10.22226 317.1235   35.74022 317.1235   35.74022 317.1235   35.74022 176.0535 10.22226 176.0535 10.22226 -0.000000 0.000000 
1 1 1 0  6  20 o 29.35279 19.17188 1.701915   26.66333 1.701915   26.66333 1.701915   26.66333 29.35279 19.17188 29.35279 19.17188 -0.000000 0.000000 
1 1 1 0  7  1  o 421.4416 8.893117 1779.636   74.88425 1779.636   74.88425 1779.636   74.88425 421.4416 8.893117 421.4416 8.893117 -0.000000 0.000000 
1 1 1 0  7  2  o 1037.278 24.72450 10832.12   512.2764 10832.12   512.2764 10832.12   512.2764 1037.278 24.72450 1037.278 24.72450 -0.000000 0.000000 
1 1 1 0  7  3  o 779.1407 16.14321 6090.019   251.3161 6090.019   251.3161 6090.019   251.3161 779.1407 16.14321 779.1407 16.14321 -0.000000 0.000000 
1 1 1 0  7  4  o 131.9463 4.526153 174.7299   11.91340 174.7299   11.91340 174.7299   11.91340 131.9463 4.526153 131.9463 4.526153 -0.000000 0.000000 
1 1 1 0  7  5  o 239.9790 5.561986 576.9491   26.66333 576.9491   26.66333 576.9491   26.66333 239.9790 5.561986 239.9790 5.561986 -0.000000 0.000000 
1 1 1 0  7  6  o 705.8895 14.84240 5003.063   209.3355 5003.063   209.3355 5003.063   209.3355 705.8895 14.84240 705.8895 14.84240 -0.000000 0.000000 
1 1 1 0  7  7  o 300.6613 6.705763 905.9860   40.27865 905.9860   40.27865 905.9860   40.27865 300.6613 6.705763 300.6613 6.705763 -0.000000 0.000000 
1 1 1 0  7  8  o 442.0737 9.634796 1960.039   85.09574 1960.039   85.09574 1960.039   85.09574 442.0737 9.634796 442.0737 9.634796 -0.000000 0.000000 
1 1 1 0  7  9  f 426.2241 13.20481 1826.722   112.3264 1826.722   112.3264 1826.722   112.3264 426.2241 13.20481 426.2241 13.20481 -0.000000 0.000000 
1 1 1 0  7  10 o 36.25731 15.46283 18.72106   11.34610 18.72106   11.34610 18.72106   11.34610 36.25731 15.46283 36.25731 15.46283 -0.000000 0.000000 
1 1 1 0  7  11 o 443.7584 14.80175 1980.462   131.0475 1980.462   131.0475 1980.462   131.0475 443.7584 14.80175 443.7584 14.80175 -0.000000 0.000000 
1 1 1 0  7  12 o 163.8136 7.128470 270.0372   23.25950 270.0372   23.25950 270.0372   23.25950 163.8136 7.128470 163.8136 7.128470 -0.000000 0.000000 
1 1 1 0  7  13 o 79.75155 10.29511 64.67276   16.45185 64.67276   16.45185 64.67276   16.45185 79.75155 10.29511 79.75155 10.29511 -0.000000 0.000000 
1 1 1 0  7  14 o 483.1302 21.75933 2367.931   209.3355 2367.931   209.3355 2367.931   209.3355 483.1302 21.75933 483.1302 21.75933 -0.000000 0.000000 
1 1 1 0  7  15 o 89.32633 17.87245 89.06688   28.36525 89.06688   28.36525 89.06688   28.36525 89.32633 17.87245 89.32633 17.87245 -0.000000 0.000000 
1 1 1 0  7  16 o 714.1541 26.17185 5251.542   372.7193 5251.542   372.7193 5251.542   372.7193 714.1541 26.17185 714.1541 26.17185 -0.000000 0.000000 
1 1 1 0  7  17 o 156.2891 9.696112 248.4796   30.06716 248.4796   30.06716 248.4796   30.06716 156.2891 9.696112 156.2891 9.696112 -0.000000 0.000000 
1 1 1 0  7  18 o 392.9578 15.20816 1581.646   119.1340 1581.646   119.1340 1581.646   119.1340 392.9578 15.20816 392.9578 15.20816 -0.000000 0.000000 
1 1 1 0  7  19 o 131.3707 11.39132 179.2684   29.49986 179.2684   29.49986 179.2684   29.49986 131.3707 11.39132 131.3707 11.39132 -0.000000 0.000000 
1 1 1 0  7  20 o 93.81314 16.98926 99.27837   28.93255 99.27837   28.93255 99.27837   28.93255 93.81314 16.98926 93.81314 16.98926 -0.000000 0.000000 
1 1 1 0  8  0  o 291.7278 9.061810 853.7939   52.75936 853.7939   52.75936 853.7939   52.75936 291.7278 9.061810 291.7278 9.061810 0.000000  0.000000 
1 1 1 0  8  1  o 220.1713 5.030311 485.6130   22.12490 485.6130   22.12490 485.6130   22.12490 220.1713 5.030311 220.1713 5.030311 -0.000000 0.000000 
1 1 1 0  8  2  o 112.3270 3.289031 126.5090   7.374964 126.5090   7.374964 126.5090   7.374964 112.3270 3.289031 112.3270 3.289031 -0.000000 0.000000 
1 1 1 0  8  3  o 567.1172 11.76517 3223.427   133.3167 3223.427   133.3167 3223.427   133.3167 567.1172 11.76517 567.1172 11.76517 -0.000000 0.000000 
1 1 1 0  8  4  o 334.6094 7.383093 1121.562   49.35553 1121.562   49.35553 1121.562   49.35553 334.6094 7.383093 334.6094 7.383093 -0.000000 0.000000 
1 1 1 0  8  5  o 766.6159 15.85135 5896.568   242.8065 5896.568   242.8065 5896.568   242.8065 766.6159 15.85135 766.6159 15.85135 -0.000000 0.000000 
1 1 1 0  8  6  o 681.4498 16.63030 4668.353   226.3547 4668.353   226.3547 4668.353   226.3547 681.4498 16.63030 681.4498 16.63030 -0.000000 0.000000 
1 1 1 0  8  7  o 347.2642 7.768441 1208.927   53.89397 1208.927   53.89397 1208.927   53.89397 347.2642 7.768441 347.2642 7.768441 -0.000000 0.000000 
1 1 1 0  8  8  o 282.8904 6.625854 802.1692   37.44213 802.1692   37.44213 802.1692   37.44213 282.8904 6.625854 282.8904 6.625854 -0.000000 0.000000 
1 1 1 0  8  9  o 74.93025 6.136847 57.29780   9.076880 57.29780   9.076880 57.29780   9.076880 74.93025 6.136847 74.93025 6.136847 -0.000000 0.000000 
1 1 1 0  8  10 o 89.93775 6.697048 82.25922   11.91340 82.25922   11.91340 82.25922   11.91340 89.93775 6.697048 89.93775 6.697048 -0.000000 0.000000 
1 1 1 0  8  11 o 507.2763 16.81557 2589.747   170.1915 2589.747   170.1915 2589.747   170.1915 507.2763 16.81557 507.2763 16.81557 -0.000000 0.000000 
1 1 1 0  8  12 o 1228.179 44.35396 15510.12   1086.389 15510.12   1086.389 15510.12   1086.389 1228.179 44.35396 1228.179 44.35396 -0.000000 0.000000 
1 1 1 0  8  13 o 174.0934 8.846764 305.7773   30.63447 305.7773   30.63447 305.7773   30.63447 174.0934 8.846764 174.0934 8.846764 -0.000000 0.000000 
1 1 1 0  8  14 o 168.7002 9.307205 287.6236   31.20177 287.6236   31.20177 287.6236   31.20177 168.7002 9.307205 168.7002 9.307205 -0.000000 0.000000 
1 1 1 0  8  15 o 122.8713 10.77706 154.8743   26.09603 154.8743   26.09603 154.8743   26.09603 122.8713 10.77706 122.8713 10.77706 -0.000000 0.000000 
1 1 1 0  8  16 o 622.0238 23.09822 3966.029   286.4890 3966.029   286.4890 3966.029   286.4890 622.0238 23.09822 622.0238 23.09822 -0.000000 0.000000 
1 1 1 0  8  17 o 119.6870 11.82343 148.6339   27.79794 148.6339   27.79794 148.6339   27.79794 119.6870 11.82343 119.6870 11.82343 -0.000000 0.000000 
1 1 1 0  8  18 o 463.0771 17.51187 2210.788   161.6819 2210.788   161.6819 2210.788   161.6819 463.0771 17.51187 463.0771 17.51187 -0.000000 0.000000 
1 1 1 0  8  19 o 105.4647 12.96358 118.5667   26.66333 118.5667   26.66333 118.5667   26.66333 105.4647 12.96358 105.4647 12.96358 -0.000000 0.000000 
1 1 1 0  8  20 o 33.48732 21.93201 2.836525   35.17290 2.836525   35.17290 2.836525   35.17290 33.48732 21.93201 33.48732 21.93201 -0.000000 0.000000 
1 1 1 0  9  1  o 304.4636 6.715123 928.6782   40.84595 928.6782   40.84595 928.6782   40.84595 304.4636 6.715123 304.4636 6.715123 -0.000000 0.000000 
1 1 1 0  9  2  o 629.9677 15.28396 3983.048   192.3164 3983.048   192.3164 3983.048   192.3164 629.9677 15.28396 629.9677 15.28396 -0.000000 0.000000 
1 1 1 0  9  3  o 204.2869 4.865883 418.1037   19.85567 418.1037   19.85567 418.1037   19.85567 204.2869 4.865883 204.2869 4.865883 -0.000000 0.000000 
1 1 1 0  9  4  o 1000.062 20.63984 10033.92   412.4307 10033.92   412.4307 10033.92   412.4307 1000.062 20.63984 1000.062 20.63984 -0.000000 0.000000 
1 1 1 0  9  5  o 40.57582 5.756453 17.01915   4.538440 17.01915   4.538440 17.01915   4.538440 40.57582 5.756453 40.57582 5.756453 -0.000000 0.000000 
1 1 1 0  9  6  o 173.5201 4.584231 301.8062   15.88454 301.8062   15.88454 301.8062   15.88454 173.5201 4.584231 173.5201 4.584231 -0.000000 0.000000 
1 1 1 0  9  7  o 276.8409 6.360011 768.1308   35.17290 768.1308   35.17290 768.1308   35.17290 276.8409 6.360011 276.8409 6.360011 -0.000000 0.000000 
1 1 1 0  9  8  f 380.8703 8.499547 1454.570   64.67276 1454.570   64.67276 1454.570   64.67276 380.8703 8.499547 380.8703 8.499547 -0.000000 0.000000 
1 1 1 0  9  9  o 18.91009 11.28402 3.971134   7.374964 3.971134   7.374964 3.971134   7.374964 18.91009 11.28402 18.91009 11.28402 -0.000000 0.000000 
1 1 1 0  9  10 o 722.3958 20.49376 5250.975   295.5659 5250.975   295.5659 5250.975   295.5659 722.3958 20.49376 722.3958 20.49376 -0.000000 0.000000 
1 1 1 0  9  11 o 14.74200 10.40203 -11.34610  11.34610 -11.34610  11.34610 -11.34610  11.34610 14.74200 10.40203 14.74200 10.40203 -0.000000 0.000000 
1 1 1 0  9  12 o 1189.494 36.82511 14428.83   874.2170 14428.83   874.2170 14428.83   874.2170 1189.494 36.82511 1189.494 36.82511 -0.000000 0.000000 
1 1 1 0  9  13 o 174.7973 7.494376 307.4793   26.09603 307.4793   26.09603 307.4793   26.09603 174.7973 7.494376 174.7973 7.494376 -0.000000 0.000000 
1 1 1 0  9  14 o 74.52846 15.54145 62.40355   20.42298 62.40355   20.42298 62.40355   20.42298 74.52846 15.54145 74.52846 15.54145 -0.000000 0.000000 
1 1 1 0  9  15 o 257.7187 9.271488 668.2853   47.65361 668.2853   47.65361 668.2853   47.65361 257.7187 9.271488 257.7187 9.271488 -0.000000 0.000000 
1 1 1 0  9  16 o 39.27378 21.14202 22.69220   22.69220 22.69220   22.69220 22.69220   22.69220 39.27378 21.14202 39.27378 21.14202 -0.000000 0.000000 
1 1 1 0  9  17 o 259.0540 10.77083 679.6313   55.59589 679.6313   55.59589 679.6313   55.59589 259.0540 10.77083 259.0540 10.77083 -0.000000 0.000000 
1 1 1 0  9  18 o 45.09863 19.90329 30.06716   18.72106 30.06716   18.72106 30.06716   18.72106 45.09863 19.90329 45.09863 19.90329 -0.000000 0.000000 
1 1 1 0  9  19 o 26.48842 18.29251 -16.45185  30.63447 -16.45185  30.63447 -16.45185  30.63447 26.48842 18.29251 26.48842 18.29251 -0.000000 0.000000 
1 1 1 0  9  20 o 29.19628 18.94423 2.836525   25.52872 2.836525   25.52872 2.836525   25.52872 29.19628 18.94423 29.19628 18.94423 -0.000000 0.000000 
1 1 1 0  10 0  o 75.58833 4.921062 57.86510   7.374964 57.86510   7.374964 57.86510   7.374964 75.58833 4.921062 75.58833 4.921062 0.000000  0.000000 
1 1 1 0  10 1  f 111.8195 3.304072 125.3744   7.374964 125.3744   7.374964 125.3744   7.374964 111.8195 3.304072 111.8195 3.304072 -0.000000 0.000000 
1 1 1 0  10 2  o 1091.601 26.12216 11998.50   569.5742 11998.50   569.5742 11998.50   569.5742 1091.601 26.12216 1091.601 26.12216 -0.000000 0.000000 
1 1 1 0  10 3  o 488.1694 10.35312 2387.786   100.9803 2387.786   100.9803 2387.786   100.9803 488.1694 10.35312 488.1694 10.35312 -0.000000 0.000000 
1 1 1 0  10 4  o 903.5049 18.79213 8187.345   339.2484 8187.345   339.2484 8187.345   339.2484 903.5049 18.79213 903.5049 18.79213 -0.000000 0.000000 
1 1 1 0  10 5  o 241.4846 5.645026 584.3241   27.23064 584.3241   27.23064 584.3241   27.23064 241.4846 5.645026 241.4846 5.645026 -0.000000 0.000000 
1 1 1 0  10 6  o 703.6625 14.88956 4973.563   209.3355 4973.563   209.3355 4973.563   209.3355 703.6625 14.88956 703.6625 14.88956 -0.000000 0.000000 
1 1 1 0  10 7  o 223.4556 6.485952 500.9303   28.93255 500.9303   28.93255 500.9303   28.93255 223.4556 6.485952 223.4556 6.485952 -0.000000 0.000000 
1 1 1 0  10 8  o 225.0695 6.692576 508.3052   30.06716 508.3052   30.06716 508.3052   30.06716 225.0695 6.692576 225.0695 6.692576 -0.000000 0.000000 
1 1 1 0  10 9  o 53.30365 7.717224 29.49986   7.942269 29.49986   7.942269 29.49986   7.942269 53.30365 7.717224 53.30365 7.717224 -0.000000 0.000000 
1 1 1 0  10 10 f 802.5633 22.73068 6485.998   364.2098 6485.998   364.2098 6485.998   364.2098 802.5633 22.73068 802.5633 22.73068 -0.000000 0.000000 
1 1 1 0  10 11 o 305.1143 9.222193 934.3513   56.16319 934.3513   56.16319 934.3513   56.16319 305.1143 9.222193 305.1143 9.222193 -0.000000 0.000000 
1 1 1 0  10 12 o 469.8262 17.19646 2224.403   161.1146 2224.403   161.1146 2224.403   161.1146 469.8262 17.19646 469.8262 17.19646 -0.000000 0.000000 
1 1 1 0  10 13 o 26.59956 16.35055 6.240355   16.45185 6.240355   16.45185 6.240355   16.45185 26.59956 16.35055 26.59956 16.35055 -0.000000 0.000000 
1 1 1 0  10 14 o 213.3556 8.269800 457.8151   35.17290 457.8151   35.17290 457.8151   35.17290 213.3556 8.269800 213.3556 8.269800 -0.000000 0.000000 
1 1 1 0  10 15 o 334.7131 11.12858 1127.802   74.31695 1127.802   74.31695 1127.802   74.31695 334.7131 11.12858 334.7131 11.12858 -0.000000 0.000000 
1 1 1 0  10 16 o 222.1908 10.38922 499.2284   45.95170 499.2284   45.95170 499.2284   45.95170 222.1908 10.38922 222.1908 10.38922 -0.000000 0.000000 
1 1 1 0  10 17 o 22.10340 15.36498 -16.45185  22.69220 -16.45185  22.69220 -16.45185  22.69220 22.10340 15.36498 22.10340 15.36498 -0.000000 0.000000 
1 1 1 0  10 18 o 23.79362 16.59318 -20.99029  27.23064 -20.99029  27.23064 -20.99029  27.23064 23.79362 16.59318 23.79362 16.59318 -0.000000 0.000000 
1 1 1 0  10 19 o 46.85901 22.83197 34.60560   24.96142 34.60560   24.96142 34.60560   24.96142 46.85901 22.83197 46.85901 22.83197 -0.000000 0.000000 
1 1 1 0  10 20 o 45.67621 24.07197 34.03830   28.93255 34.03830   28.93255 34.03830   28.93255 45.67621 24.07197 45.67621 24.07197 -0.000000 0.000000 
1 1 1 0  11 1  o 23.95429 7.995677 7.374964   3.403830 7.374964   3.403830 7.374964   3.403830 23.95429 7.995677 23.95429 7.995677 -0.000000 0.000000 
1 1 1 0  11 2  o 476.4043 10.13205 2274.326   96.44185 2274.326   96.44185 2274.326   96.44185 476.4043 10.13205 476.4043 10.13205 -0.000000 0.000000 
1 1 1 0  11 3  o 482.9555 11.87994 2338.431   114.5956 2338.431   114.5956 2338.431   114.5956 482.9555 11.87994 482.9555 11.87994 -0.000000 0.000000 
1 1 1 0  11 4  o 161.7216 4.215839 262.0949   13.61532 262.0949   13.61532 262.0949   13.61532 161.7216 4.215839 161.7216 4.215839 -0.000000 0.000000 
1 1 1 0  11 5  o 290.6313 6.546503 846.4190   38.00943 846.4190   38.00943 846.4190   38.00943 290.6313 6.546503 290.6313 6.546503 -0.000000 0.000000 
1 1 1 0  11 6  o 202.9846 5.177881 412.9980   20.99029 412.9980   20.99029 412.9980   20.99029 202.9846 5.177881 202.9846 5.177881 -0.000000 0.000000 
1 1 1 0  11 7  o 243.8076 6.759366 596.2375   32.90369 596.2375   32.90369 596.2375   32.90369 243.8076 6.759366 243.8076 6.759366 -0.000000 0.000000 
1 1 1 0  11 8  o 224.6688 5.689501 506.0360   25.52872 506.0360   25.52872 506.0360   25.52872 224.6688 5.689501 224.6688 5.689501 -0.000000 0.000000 
1 1 1 0  11 9  o 178.8391 6.042208 321.0946   21.55759 321.0946   21.55759 321.0946   21.55759 178.8391 6.042208 178.8391 6.042208 -0.000000 0.000000 
1 1 1 0  11 10 o 147.2647 6.967455 218.4124   20.42298 218.4124   20.42298 218.4124   20.42298 147.2647 6.967455 147.2647 6.967455 -0.000000 0.000000 
1 1 1 0  11 11 o 822.4013 23.25335 6817.871   381.7962 6817.871   381.7962 6817.871   381.7962 822.4013 23.25335 822.4013 23.25335 -0.000000 0.000000 
1 1 1 0  11 12 o 169.9402 7.036451 290.4601   23.82681 290.4601   23.82681 290.4601   23.82681 169.9402 7.036451 169.9402 7.036451 -0.000000 0.000000 
1 1 1 0  11 13 o 57.70819 15.39425 39.71135   15.31723 39.71135   15.31723 39.71135   15.31723 57.70819 15.39425 57.70819 15.39425 -0.000000 0.000000 
1 1 1 0  11 14 o 288.2513 11.95140 837.3422   68.64390 837.3422   68.64390 837.3422   68.64390 288.2513 11.95140 288.2513 11.95140 -0.000000 0.000000 
1 1 1 0  11 15 o 162.7904 9.476117 268.3353   30.63447 268.3353   30.63447 268.3353   30.63447 162.7904 9.476117 162.7904 9.476117 -0.000000 0.000000 
1 1 1 0  11 16 o 213.1824 10.02667 459.5170   42.54787 459.5170   42.54787 459.5170   42.54787 213.1824 10.02667 213.1824 10.02667 -0.000000 0.000000 
1 1 1 0  11 17 o 165.1740 9.686220 277.4121   31.76908 277.4121   31.76908 277.4121   31.76908 165.1740 9.686220 165.1740 9.686220 -0.000000 0.000000 
1 1 1 0  11 18 o 63.38202 19.93351 51.62476   22.12490 51.62476   22.12490 51.62476   22.12490 63.38202 19.93351 63.38202 19.93351 -0.000000 0.000000 
1 1 1 0  11 19 o 147.1232 10.91648 223.5181   31.76908 223.5181   31.76908 223.5181   31.76908 147.1232 10.91648 147.1232 10.91648 -0.000000 0.000000 
1 1 1 0  11 20 o 37.45351 21.43329 20.99029   24.96142 20.99029   24.96142 20.99029   24.96142 37.45351 21.43329 37.45351 21.43329 -0.000000 0.000000 
1 1 1 0  12 0  o 411.6814 12.77374 1700.780   104.9514 1700.780   104.9514 1700.780   104.9514 411.6814 12.77374 411.6814 12.77374 0.000000  0.000000 
1 1 1 0  12 1  o 85.01371 3.347824 72.61504   5.673049 72.61504   5.673049 72.61504   5.673049 85.01371 3.347824 85.01371 3.347824 -0.000000 0.000000 
1 1 1 0  12 2  o 943.6442 19.64767 8937.890   370.4502 8937.890   370.4502 8937.890   370.4502 943.6442 19.64767 943.6442 19.64767 -0.000000 0.000000 
1 1 1 0  12 3  o 87.29028 3.587603 76.58617   6.240355 76.58617   6.240355 76.58617   6.240355 87.29028 3.587603 87.29028 3.587603 -0.000000 0.000000 
1 1 1 0  12 4  o 78.01587 3.652974 61.26894   5.673049 61.26894   5.673049 61.26894   5.673049 78.01587 3.652974 78.01587 3.652974 -0.000000 0.000000 
1 1 1 0  12 5  o 479.6172 10.30119 2306.662   98.71106 2306.662   98.71106 2306.662   98.71106 479.6172 10.30119 479.6172 10.30119 -0.000000 0.000000 
1 1 1 0  12 6  o 284.3875 6.690913 810.6788   38.00943 810.6788   38.00943 810.6788   38.00943 284.3875 6.690913 284.3875 6.690913 -0.000000 0.000000 
1 1 1 0  12 7  o 207.5917 6.023332 432.2864   24.96142 432.2864   24.96142 432.2864   24.96142 207.5917 6.023332 207.5917 6.023332 -0.000000 0.000000 
1 1 1 0  12 8  o 75.49210 5.313382 57.86510   7.942269 57.86510   7.942269 57.86510   7.942269 75.49210 5.313382 75.49210 5.313382 -0.000000 0.000000 
1 1 1 0  12 9  o 65.06654 6.664979 43.68248   8.509575 43.68248   8.509575 43.68248   8.509575 65.06654 6.664979 65.06654 6.664979 -0.000000 0.000000 
1 1 1 0  12 10 o 55.36267 9.459220 32.90369   9.644185 32.90369   9.644185 32.90369   9.644185 55.36267 9.459220 55.36267 9.459220 -0.000000 0.000000 
1 1 1 0  12 11 f 538.7986 15.40023 2917.082   165.6530 2917.082   165.6530 2917.082   165.6530 538.7986 15.40023 538.7986 15.40023 -0.000000 0.000000 
1 1 1 0  12 12 o 362.3173 11.53409 1318.984   83.39383 1318.984   83.39383 1318.984   83.39383 362.3173 11.53409 362.3173 11.53409 -0.000000 0.000000 
1 1 1 0  12 13 o 27.48098 16.15572 9.076880   14.74993 9.076880   14.74993 9.076880   14.74993 27.48098 16.15572 27.48098 16.15572 -0.000000 0.000000 
1 1 1 0  12 14 o 728.4318 22.71175 5373.513   330.1715 5373.513   330.1715 5373.513   330.1715 728.4318 22.71175 728.4318 22.71175 -0.000000 0.000000 
1 1 1 0  12 15 o 34.64050 19.54486 16.45185   20.42298 16.45185   20.42298 16.45185   20.42298 34.64050 19.54486 34.64050 19.54486 -0.000000 0.000000 
1 1 1 0  12 16 o 36.58590 20.14373 19.28837   20.99029 19.28837   20.99029 19.28837   20.99029 36.58590 20.14373 36.58590 20.14373 -0.000000 0.000000 
1 1 1 0  12 17 o 210.2492 11.67809 450.4402   48.78823 450.4402   48.78823 450.4402   48.78823 210.2492 11.67809 210.2492 11.67809 -0.000000 0.000000 
1 1 1 0  12 18 f 145.5122 10.43934 217.2778   30.06716 217.2778   30.06716 217.2778   30.06716 145.5122 10.43934 145.5122 10.43934 -0.000000 0.000000 
1 1 1 0  12 19 o 53.88771 22.63758 43.11518   24.39412 43.11518   24.39412 43.11518   24.39412 53.88771 22.63758 53.88771 22.63758 -0.000000 0.000000 
1 1 1 0  13 1  o 849.6912 17.57622 7243.917   298.4024 7243.917   298.4024 7243.917   298.4024 849.6912 17.57622 849.6912 17.57622 -0.000000 0.000000 
1 1 1 0  13 2  o 441.8613 9.446262 1956.067   83.39383 1956.067   83.39383 1956.067   83.39383 441.8613 9.446262 441.8613 9.446262 -0.000000 0.000000 
1 1 1 0  13 3  o 955.4489 19.85059 9157.436   378.9597 9157.436   378.9597 9157.436   378.9597 955.4489 19.85059 955.4489 19.85059 -0.000000 0.000000 
1 1 1 0  13 4  o 21.45122 10.81243 6.807660   5.673049 6.807660   5.673049 6.807660   5.673049 21.45122 10.81243 21.45122 10.81243 -0.000000 0.000000 
1 1 1 0  13 5  o 96.77020 4.119796 94.17262   7.942269 94.17262   7.942269 94.17262   7.942269 96.77020 4.119796 96.77020 4.119796 -0.000000 0.000000 
1 1 1 0  13 6  o 230.1638 5.676673 530.9974   26.09603 530.9974   26.09603 530.9974   26.09603 230.1638 5.676673 230.1638 5.676673 -0.000000 0.000000 
1 1 1 0  13 7  o 392.5895 8.607155 1545.339   67.50929 1545.339   67.50929 1545.339   67.50929 392.5895 8.607155 392.5895 8.607155 -0.000000 0.000000 
1 1 1 0  13 8  o 394.6324 8.922972 1562.358   70.34581 1562.358   70.34581 1562.358   70.34581 394.6324 8.922972 394.6324 8.922972 -0.000000 0.000000 
1 1 1 0  13 9  o 675.6564 22.38823 4612.189   301.8062 4612.189   301.8062 4612.189   301.8062 675.6564 22.38823 675.6564 22.38823 -0.000000 0.000000 
1 1 1 0  13 10 o 595.4232 17.03786 3562.675   202.5279 3562.675   202.5279 3562.675   202.5279 595.4232 17.03786 595.4232 17.03786 -0.000000 0.000000 
1 1 1 0  13 11 o 492.9880 14.12225 2441.113   138.9897 2441.113   138.9897 2441.113   138.9897 492.9880 14.12225 492.9880 14.12225 -0.000000 0.000000 
1 1 1 0  13 12 o 214.0120 7.575557 460.0844   32.33638 460.0844   32.33638 460.0844   32.33638 214.0120 7.575557 214.0120 7.575557 -0.000000 0.000000 
1 1 1 0  13 13 o 586.9251 18.30739 3474.176   214.4413 3474.176   214.4413 3474.176   214.4413 586.9251 18.30739 586.9251 18.30739 -0.000000 0.000000 
1 1 1 0  13 14 f 138.2574 8.267895 193.4510   22.69220 193.4510   22.69220 193.4510   22.69220 138.2574 8.267895 138.2574 8.267895 -0.000000 0.000000 
1 1 1 0  13 15 o 71.18813 16.51036 58.43241   20.42298 58.43241   20.42298 58.43241   20.42298 71.18813 16.51036 71.18813 16.51036 -0.000000 0.000000 
1 1 1 0  13 16 o 45.91789 23.93652 31.76908   28.36525 31.76908   28.36525 31.76908   28.36525 45.91789 23.93652 45.91789 23.93652 -0.000000 0.000000 
1 1 1 0  13 17 o 61.83273 21.02903 50.49014   23.25950 50.49014   23.25950 50.49014   23.25950 61.83273 21.02903 61.83273 21.02903 -0.000000 0.000000 
1 1 1 0  13 18 o 76.79007 17.86076 69.21120   23.82681 69.21120   23.82681 69.21120   23.82681 76.79007 17.86076 76.79007 17.86076 -0.000000 0.000000 
1 1 1 0  13 19 o 122.2128 11.56491 156.0089   27.79794 156.0089   27.79794 156.0089   27.79794 122.2128 11.56491 122.2128 11.56491 -0.000000 0.000000 
1 1 1 0  14 0  o 113.6443 5.012927 129.9128   11.34610 129.9128   11.34610 129.9128   11.34610 113.6443 5.012927 113.6443 5.012927 0.000000  0.000000 
1 1 1 0  14 1  o 957.8549 19.68175 9207.359   376.6905 9207.359   376.6905 9207.359   376.6905 957.8549 19.68175 957.8549 19.68175 -0.000000 0.000000 
1 1 1 0  14 2  o 368.0460 8.101068 1356.994   59.56702 1356.994   59.56702 1356.994   59.56702 368.0460 8.101068 368.0460 8.101068 -0.000000 0.000000 
1 1 1 0  14 3  o 131.7947 3.881438 174.1626   10.21149 174.1626   10.21149 174.1626   10.21149 131.7947 3.881438 131.7947 3.881438 -0.000000 0.000000 
1 1 1 0  14 4  o 278.1037 6.330999 774.9386   35.17290 774.9386   35.17290 774.9386   35.17290 278.1037 6.330999 278.1037 6.330999 -0.000000 0.000000 
1 1 1 0  14 5  o 173.1934 4.592932 300.6716   15.88454 300.6716   15.88454 300.6716   15.88454 173.1934 4.592932 173.1934 4.592932 -0.000000 0.000000 
1 1 1 0  14 6  f 78.55735 4.729556 62.40355   7.374964 62.40355   7.374964 62.40355   7.374964 78.55735 4.729556 78.55735 4.729556 -0.000000 0.000000 
1 1 1 0  14 7  o 715.7038 21.64341 5174.956   309.1812 5174.956   309.1812 5174.956   309.1812 715.7038 21.64341 715.7038 21.64341 -0.000000 0.000000 
1 1 1 0  14 8  o 213.7972 5.714000 458.3824   24.39412 458.3824   24.39412 458.3824   24.39412 213.7972 5.714000 213.7972 5.714000 -0.000000 0.000000 
1 1 1 0  14 9  o 149.4776 6.094344 224.6528   18.15376 224.6528   18.15376 224.6528   18.15376 149.4776 6.094344 149.4776 6.094344 -0.000000 0.000000 
1 1 1 0  14 10 o 592.3344 16.88661 3525.800   199.6914 3525.800   199.6914 3525.800   199.6914 592.3344 16.88661 592.3344 16.88661 -0.000000 0.000000 
1 1 1 0  14 11 o 292.7479 10.39622 861.1690   60.70163 861.1690   60.70163 861.1690   60.70163 292.7479 10.39622 292.7479 10.39622 -0.000000 0.000000 
1 1 1 0  14 12 o 587.8317 18.37604 3482.117   215.5759 3482.117   215.5759 3482.117   215.5759 587.8317 18.37604 587.8317 18.37604 -0.000000 0.000000 
1 1 1 0  14 13 o 687.6473 21.37152 4780.111   293.2967 4780.111   293.2967 4780.111   293.2967 687.6473 21.37152 687.6473 21.37152 -0.000000 0.000000 
1 1 1 0  14 14 o 280.9705 9.513631 793.6596   53.32666 793.6596   53.32666 793.6596   53.32666 280.9705 9.513631 280.9705 9.513631 -0.000000 0.000000 
1 1 1 0  14 15 o 42.26073 18.97701 26.09603   17.01915 26.09603   17.01915 26.09603   17.01915 42.26073 18.97701 42.26073 18.97701 -0.000000 0.000000 
1 1 1 0  14 16 o 99.24594 13.23029 104.3841   25.52872 104.3841   25.52872 104.3841   25.52872 99.24594 13.23029 99.24594 13.23029 -0.000000 0.000000 
1 1 1 0  14 17 o 81.01923 16.63245 74.31695   23.82681 74.31695   23.82681 74.31695   23.82681 81.01923 16.63245 81.01923 16.63245 -0.000000 0.000000 
1 1 1 0  14 18 o 32.12066 19.23577 12.48071   21.55759 12.48071   21.55759 12.48071   21.55759 32.12066 19.23577 32.12066 19.23577 -0.000000 0.000000 
1 1 1 0  14 19 o 91.58104 14.49673 90.76879   24.96142 90.76879   24.96142 90.76879   24.96142 91.58104 14.49673 91.58104 14.49673 -0.000000 0.000000 
1 1 1 0  15 1  o 265.5350 5.988864 706.2947   31.76908 706.2947   31.76908 706.2947   31.76908 265.5350 5.988864 265.5350 5.988864 -0.000000 0.000000 
1 1 1 0  15 2  o 485.6847 10.46488 2363.392   101.5476 2363.392   101.5476 2363.392   101.5476 485.6847 10.46488 485.6847 10.46488 -0.000000 0.000000 
1 1 1 0  15 3  o 478.6294 10.20365 2295.316   97.57646 2295.316   97.57646 2295.316   97.57646 478.6294 10.20365 478.6294 10.20365 -0.000000 0.000000 
1 1 1 0  15 4  o 282.4025 6.738175 799.3326   38.00943 799.3326   38.00943 799.3326   38.00943 282.4025 6.738175 282.4025 6.738175 -0.000000 0.000000 
1 1 1 0  15 5  o 687.8829 14.52936 4751.746   199.6914 4751.746   199.6914 4751.746   199.6914 687.8829 14.52936 687.8829 14.52936 -0.000000 0.000000 
1 1 1 0  15 6  o 112.1790 4.567834 126.5090   10.21149 126.5090   10.21149 126.5090   10.21149 112.1790 4.567834 112.1790 4.567834 -0.000000 0.000000 
1 1 1 0  15 7  o 78.19146 4.752320 61.83624   7.374964 61.83624   7.374964 61.83624   7.374964 78.19146 4.752320 78.19146 4.752320 -0.000000 0.000000 
1 1 1 0  15 8  o 564.4678 12.02221 3199.032   135.5859 3199.032   135.5859 3199.032   135.5859 564.4678 12.02221 564.4678 12.02221 -0.000000 0.000000 
1 1 1 0  15 9  o 765.8498 21.70551 5910.184   331.8734 5910.184   331.8734 5910.184   331.8734 765.8498 21.70551 765.8498 21.70551 -0.000000 0.000000 
1 1 1 0  15 10 o 189.3241 7.365593 360.2386   27.79794 360.2386   27.79794 360.2386   27.79794 189.3241 7.365593 189.3241 7.365593 -0.000000 0.000000 
1 1 1 0  15 11 o 398.9689 13.61414 1600.367   108.3553 1600.367   108.3553 1600.367   108.3553 398.9689 13.61414 398.9689 13.61414 -0.000000 0.000000 
1 1 1 0  15 12 o 584.9015 18.27365 3448.080   213.3067 3448.080   213.3067 3448.080   213.3067 584.9015 18.27365 584.9015 18.27365 -0.000000 0.000000 
1 1 1 0  15 13 o 279.1762 9.575386 783.4482   53.32666 783.4482   53.32666 783.4482   53.32666 279.1762 9.575386 279.1762 9.575386 -0.000000 0.000000 
1 1 1 0  15 14 o 103.8926 9.144519 110.6245   18.72106 110.6245   18.72106 110.6245   18.72106 103.8926 9.144519 103.8926 9.144519 -0.000000 0.000000 
1 1 1 0  15 15 o 51.12874 17.37329 34.03830   15.88454 34.03830   15.88454 34.03830   15.88454 51.12874 17.37329 51.12874 17.37329 -0.000000 0.000000 
1 1 1 0  15 16 o 33.39137 17.76973 16.45185   15.88454 16.45185   15.88454 16.45185   15.88454 33.39137 17.76973 33.39137 17.76973 -0.000000 0.000000 
1 1 1 0  15 17 o 49.00611 17.71881 32.33638   15.88454 32.33638   15.88454 32.33638   15.88454 49.00611 17.71881 49.00611 17.71881 -0.000000 0.000000 
1 1 1 0  15 18 o 130.8159 7.864975 174.1626   20.42298 174.1626   20.42298 174.1626   20.42298 130.8159 7.864975 130.8159 7.864975 -0.000000 0.000000 
1 1 1 0  15 19 o 42.72813 17.93682 26.66333   15.31723 26.66333   15.31723 26.66333   15.31723 42.72813 17.93682 42.72813 17.93682 -0.000000 0.000000 
1 1 1 0  16 0  o 576.3903 17.60481 3334.051   202.5279 3334.051   202.5279 3334.051   202.5279 576.3903 17.60481 576.3903 17.60481 0.000000  0.000000 
1 1 1 0  16 1  o 1248.003 25.54798 15642.87   637.0835 15642.87   637.0835 15642.87   637.0835 1248.003 25.54798 1248.003 25.54798 -0.000000 0.000000 
1 1 1 0  16 2  o 84.19820 4.405024 71.48043   7.374964 71.48043   7.374964 71.48043   7.374964 84.19820 4.405024 84.19820 4.405024 -0.000000 0.000000 
1 1 1 0  16 3  o 657.6846 13.90135 4337.614   182.6722 4337.614   182.6722 4337.614   182.6722 657.6846 13.90135 657.6846 13.90135 -0.000000 0.000000 
1 1 1 0  16 4  o 222.8078 5.481613 497.5265   24.39412 497.5265   24.39412 497.5265   24.39412 222.8078 5.481613 222.8078 5.481613 -0.000000 0.000000 
1 1 1 0  16 5  o 711.6979 15.08055 5089.292   214.4413 5089.292   214.4413 5089.292   214.4413 711.6979 15.08055 711.6979 15.08055 -0.000000 0.000000 
1 1 1 0  16 6  o 487.4384 10.66057 2383.816   103.8168 2383.816   103.8168 2383.816   103.8168 487.4384 10.66057 487.4384 10.66057 -0.000000 0.000000 
1 1 1 0  16 7  o 803.7021 16.70979 6497.911   268.3353 6497.911   268.3353 6497.911   268.3353 803.7021 16.70979 803.7021 16.70979 -0.000000 0.000000 
1 1 1 0  16 8  o 122.7620 4.868858 151.4704   11.91340 151.4704   11.91340 151.4704   11.91340 122.7620 4.868858 122.7620 4.868858 -0.000000 0.000000 
1 1 1 0  16 9  o 658.4495 18.77300 4361.440   246.7777 4361.440   246.7777 4361.440   246.7777 658.4495 18.77300 658.4495 18.77300 -0.000000 0.000000 
1 1 1 0  16 10 o 153.3889 6.310527 236.5662   19.28837 236.5662   19.28837 236.5662   19.28837 153.3889 6.310527 153.3889 6.310527 -0.000000 0.000000 
1 1 1 0  16 11 o 678.2498 29.94415 4672.323   404.4884 4672.323   404.4884 4672.323   404.4884 678.2498 29.94415 678.2498 29.94415 -0.000000 0.000000 
1 1 1 0  16 12 o 631.2384 19.76950 4019.923   249.0469 4019.923   249.0469 4019.923   249.0469 631.2384 19.76950 631.2384 19.76950 -0.000000 0.000000 
1 1 1 0  16 13 o 613.4999 19.18260 3800.943   234.8643 3800.943   234.8643 3800.943   234.8643 613.4999 19.18260 613.4999 19.18260 -0.000000 0.000000 
1 1 1 0  16 14 o 214.8453 9.412784 465.1901   40.27865 465.1901   40.27865 465.1901   40.27865 214.8453 9.412784 214.8453 9.412784 -0.000000 0.000000 
1 1 1 0  16 15 o 38.23347 17.64697 21.55759   14.74993 21.55759   14.74993 21.55759   14.74993 38.23347 17.64697 38.23347 17.64697 -0.000000 0.000000 
1 1 1 0  16 16 o 52.66964 16.59980 35.17290   15.31723 35.17290   15.31723 35.17290   15.31723 52.66964 16.59980 52.66964 16.59980 -0.000000 0.000000 
1 1 1 0  16 17 o 379.7575 12.35306 1463.647   93.60532 1463.647   93.60532 1463.647   93.60532 379.7575 12.35306 379.7575 12.35306 -0.000000 0.000000 
1 1 1 0  16 18 o 140.0909 8.156740 199.6914   22.69220 199.6914   22.69220 199.6914   22.69220 140.0909 8.156740 140.0909 8.156740 -0.000000 0.000000 
1 1 1 0  16 19 o 173.4033 8.218451 305.7773   28.36525 305.7773   28.36525 305.7773   28.36525 173.4033 8.218451 173.4033 8.218451 -0.000000 0.000000 
1 1 1 0  17 1  f 860.8344 17.87655 7431.128   307.4793 7431.128   307.4793 7431.128   307.4793 860.8344 17.87655 860.8344 17.87655 -0.000000 0.000000 
1 1 1 0  17 2  o 1008.430 20.86282 10207.52   420.3730 10207.52   420.3730 10207.52   420.3730 1008.430 20.86282 1008.430 20.86282 -0.000000 0.000000 
1 1 1 0  17 3  o 690.9412 14.54714 4791.458   200.8260 4791.458   200.8260 4791.458   200.8260 690.9412 14.54714 690.9412 14.54714 -0.000000 0.000000 
1 1 1 0  17 4  o 439.9003 9.682602 1940.183   85.09574 1940.183   85.09574 1940.183   85.09574 439.9003 9.682602 439.9003 9.682602 -0.000000 0.000000 
1 1 1 0  17 5  o 162.0243 4.559742 263.2295   14.74993 263.2295   14.74993 263.2295   14.74993 162.0243 4.559742 162.0243 4.559742 -0.000000 0.000000 
1 1 1 0  17 6  o 110.8653 4.881588 123.6725   10.77879 123.6725   10.77879 123.6725   10.77879 110.8653 4.881588 110.8653 4.881588 -0.000000 0.000000 
1 1 1 0  17 7  o 290.5601 6.940001 846.4190   40.27865 846.4190   40.27865 846.4190   40.27865 290.5601 6.940001 290.5601 6.940001 -0.000000 0.000000 
1 1 1 0  17 8  o 22.37228 15.14696 -7.942269  19.28837 -7.942269  19.28837 -7.942269  19.28837 22.37228 15.14696 22.37228 15.14696 -0.000000 0.000000 
1 1 1 0  17 9  o 39.11288 12.40307 19.28837   8.509575 19.28837   8.509575 19.28837   8.509575 39.11288 12.40307 39.11288 12.40307 -0.000000 0.000000 
1 1 1 0  17 10 o 460.9056 13.31771 2133.634   122.5379 2133.634   122.5379 2133.634   122.5379 460.9056 13.31771 460.9056 13.31771 -0.000000 0.000000 
1 1 1 0  17 11 o 182.3136 13.04776 338.1137   47.08631 338.1137   47.08631 338.1137   47.08631 182.3136 13.04776 182.3136 13.04776 -0.000000 0.000000 
1 1 1 0  17 12 o 285.4113 9.764644 818.6210   55.59589 818.6210   55.59589 818.6210   55.59589 285.4113 9.764644 285.4113 9.764644 -0.000000 0.000000 
1 1 1 0  17 13 o 268.6906 12.72929 728.9869   68.07660 728.9869   68.07660 728.9869   68.07660 268.6906 12.72929 268.6906 12.72929 -0.000000 0.000000 
1 1 1 0  17 14 o 310.7339 10.43223 971.2261   64.67276 971.2261   64.67276 971.2261   64.67276 310.7339 10.43223 310.7339 10.43223 -0.000000 0.000000 
1 1 1 0  17 15 o 146.4775 7.595557 216.7105   22.12490 216.7105   22.12490 216.7105   22.12490 146.4775 7.595557 146.4775 7.595557 -0.000000 0.000000 
1 1 1 0  17 16 o 113.6600 8.067773 131.6148   18.15376 131.6148   18.15376 131.6148   18.15376 113.6600 8.067773 113.6600 8.067773 -0.000000 0.000000 
1 1 1 0  17 17 o 279.4414 9.770802 789.6885   54.46128 789.6885   54.46128 789.6885   54.46128 279.4414 9.770802 279.4414 9.770802 -0.000000 0.000000 
1 1 1 0  17 18 o 103.5237 8.325030 110.0572   17.01915 110.0572   17.01915 110.0572   17.01915 103.5237 8.325030 103.5237 8.325030 -0.000000 0.000000 
1 1 1 0  17 19 o 172.2181 8.276076 301.8062   28.36525 301.8062   28.36525 301.8062   28.36525 172.2181 8.276076 172.2181 8.276076 -0.000000 0.000000 
1 1 1 0  18 0  o 1553.746 45.25013 24329.44   1403.512 24329.44   1403.512 24329.44   1403.512 1553.746 45.25013 1553.746 45.25013 0.000000  0.000000 
1 1 1 0  18 1  o 67.95443 5.496497 47.08631   7.374964 47.08631   7.374964 47.08631   7.374964 67.95443 5.496497 67.95443 5.496497 -0.000000 0.000000 
1 1 1 0  18 2  o 39.49033 10.81671 18.72106   7.374964 18.72106   7.374964 18.72106   7.374964 39.49033 10.81671 39.49033 10.81671 -0.000000 0.000000 
1 1 1 0  18 3  o 133.7337 5.535179 179.8357   14.74993 179.8357   14.74993 179.8357   14.74993 133.7337 5.535179 133.7337 5.535179 -0.000000 0.000000 
1 1 1 0  18 4  o 136.3901 4.377309 186.6433   11.91340 186.6433   11.91340 186.6433   11.91340 136.3901 4.377309 136.3901 4.377309 -0.000000 0.000000 
1 1 1 0  18 5  o 296.9438 6.885955 883.8611   40.84595 883.8611   40.84595 883.8611   40.84595 296.9438 6.885955 296.9438 6.885955 -0.000000 0.000000 
1 1 1 0  18 6  o 234.5314 5.934699 551.4204   27.79794 551.4204   27.79794 551.4204   27.79794 234.5314 5.934699 234.5314 5.934699 -0.000000 0.000000 
1 1 1 0  18 7  o 1335.578 40.09235 18448.76   1068.802 18448.76   1068.802 18448.76   1068.802 1335.578 40.09235 1335.578 40.09235 -0.000000 0.000000 
1 1 1 0  18 8  o 50.13142 20.32232 35.17290   19.85567 35.17290   19.85567 35.17290   19.85567 50.13142 20.32232 50.13142 20.32232 -0.000000 0.000000 
1 1 1 0  18 9  o 384.0929 11.17220 1480.666   85.66305 1480.666   85.66305 1480.666   85.66305 384.0929 11.17220 384.0929 11.17220 -0.000000 0.000000 
1 1 1 0  18 10 o 185.0865 10.17947 346.0561   37.44213 346.0561   37.44213 346.0561   37.44213 185.0865 10.17947 185.0865 10.17947 -0.000000 0.000000 
1 1 1 0  18 11 o 960.7143 34.52373 9399.109   661.4776 9399.109   661.4776 9399.109   661.4776 960.7143 34.52373 960.7143 34.52373 -0.000000 0.000000 
1 1 1 0  18 12 o 423.3441 19.24823 1813.107   162.2492 1813.107   162.2492 1813.107   162.2492 423.3441 19.24823 423.3441 19.24823 -0.000000 0.000000 
1 1 1 0  18 13 o 236.5725 8.779122 562.7665   41.41326 562.7665   41.41326 562.7665   41.41326 236.5725 8.779122 236.5725 8.779122 -0.000000 0.000000 
1 1 1 0  18 14 o 132.3160 7.554612 176.9992   19.85567 176.9992   19.85567 176.9992   19.85567 132.3160 7.554612 132.3160 7.554612 -0.000000 0.000000 
1 1 1 0  18 15 o 478.3388 17.54485 2321.412   167.3549 2321.412   167.3549 2321.412   167.3549 478.3388 17.54485 478.3388 17.54485 -0.000000 0.000000 
1 1 1 0  18 16 o 169.2169 7.915527 289.3255   26.66333 289.3255   26.66333 289.3255   26.66333 169.2169 7.915527 169.2169 7.915527 -0.000000 0.000000 
1 1 1 0  18 17 o 90.67149 8.917130 85.09574   15.88454 85.09574   15.88454 85.09574   15.88454 90.67149 8.917130 90.67149 8.917130 -0.000000 0.000000 
1 1 1 0  18 18 o 13.49522 9.770669 -19.85567  12.48071 -19.85567  12.48071 -19.85567  12.48071 13.49522 9.770669 13.49522 9.770669 -0.000000 0.000000 
1 1 1 0  18 19 o 134.4496 7.862013 184.3741   20.99029 184.3741   20.99029 184.3741   20.99029 134.4496 7.862013 134.4496 7.862013 -0.000000 0.000000 
1 1 1 0  19 1  o 194.4716 4.819883 378.9597   18.72106 378.9597   18.72106 378.9597   18.72106 194.4716 4.819883 194.4716 4.819883 -0.000000 0.000000 
1 1 1 0  19 2  o 358.1435 7.928725 1285.513   56.73050 1285.513   56.73050 1285.513   56.73050 358.1435 7.928725 358.1435 7.928725 -0.000000 0.000000 
1 1 1 0  19 3  o 786.4177 16.46350 6213.692   258.6910 6213.692   258.6910 6213.692   258.6910 786.4177 16.46350 786.4177 16.46350 -0.000000 0.000000 
1 1 1 0  19 4  o 20.03879 11.00000 5.673049   6.240355 5.673049   6.240355 5.673049   6.240355 20.03879 11.00000 20.03879 11.00000 -0.000000 0.000000 
1 1 1 0  19 5  o 227.0676 5.629066 516.8148   25.52872 516.8148   25.52872 516.8148   25.52872 227.0676 5.629066 227.0676 5.629066 -0.000000 0.000000 
1 1 1 0  19 6  o 556.6576 11.88489 3109.966   132.1821 3109.966   132.1821 3109.966   132.1821 556.6576 11.88489 556.6576 11.88489 -0.000000 0.000000 
1 1 1 0  19 7  o 648.1614 13.88695 4224.153   179.8357 4224.153   179.8357 4224.153   179.8357 648.1614 13.88695 648.1614 13.88695 -0.000000 0.000000 
1 1 1 0  19 8  o 324.5038 9.897739 1057.456   64.10546 1057.456   64.10546 1057.456   64.10546 324.5038 9.897739 324.5038 9.897739 -0.000000 0.000000 
1 1 1 0  19 9  o 72.06204 6.804228 53.32666   9.644185 53.32666   9.644185 53.32666   9.644185 72.06204 6.804228 72.06204 6.804228 -0.000000 0.000000 
1 1 1 0  19 10 o 414.8047 12.33282 1728.011   102.1149 1728.011   102.1149 1728.011   102.1149 414.8047 12.33282 414.8047 12.33282 -0.000000 0.000000 
1 1 1 0  19 11 o 24.75256 14.53367 7.374964   11.91340 7.374964   11.91340 7.374964   11.91340 24.75256 14.53367 24.75256 14.53367 -0.000000 0.000000 
1 1 1 0  19 12 o 408.1440 15.33677 1678.655   124.8071 1678.655   124.8071 1678.655   124.8071 408.1440 15.33677 408.1440 15.33677 -0.000000 0.000000 
1 1 1 0  19 13 o 149.4786 7.247265 225.2201   21.55759 225.2201   21.55759 225.2201   21.55759 149.4786 7.247265 149.4786 7.247265 -0.000000 0.000000 
1 1 1 0  19 14 o 212.8866 11.39433 458.3824   48.22092 458.3824   48.22092 458.3824   48.22092 212.8866 11.39433 212.8866 11.39433 -0.000000 0.000000 
1 1 1 0  19 15 o 484.1555 15.44293 2370.200   149.2012 2370.200   149.2012 2370.200   149.2012 484.1555 15.44293 484.1555 15.44293 -0.000000 0.000000 
1 1 1 0  19 16 f 79.23122 9.538556 65.80738   14.74993 65.80738   14.74993 65.80738   14.74993 79.23122 9.538556 79.23122 9.538556 -0.000000 0.000000 
1 1 1 0  19 17 o 55.16459 14.30814 36.30752   13.61532 36.30752   13.61532 36.30752   13.61532 55.16459 14.30814 55.16459 14.30814 -0.000000 0.000000 
1 1 1 0  19 18 o 36.21461 16.94167 19.85567   13.61532 19.85567   13.61532 19.85567   13.61532 36.21461 16.94167 36.21461 16.94167 -0.000000 0.000000 
1 1 1 0  19 19 o 29.34370 15.71329 13.04801   12.48071 13.04801   12.48071 13.04801   12.48071 29.34370 15.71329 29.34370 15.71329 -0.000000 0.000000 
1 1 1 0  20 0  o 408.8273 12.51458 1677.521   102.1149 1677.521   102.1149 1677.521   102.1149 408.8273 12.51458 408.8273 12.51458 0.000000  0.000000 
1 1 1 0  20 1  o 704.8725 14.86390 4988.312   209.3355 4988.312   209.3355 4988.312   209.3355 704.8725 14.86390 704.8725 14.86390 -0.000000 0.000000 
1 1 1 0  20 2  o 170.3637 4.837059 291.0274   16.45185 291.0274   16.45185 291.0274   16.45185 170.3637 4.837059 170.3637 4.837059 -0.000000 0.000000 
1 1 1 0  20 3  o 103.4065 5.240424 107.7879   10.77879 107.7879   10.77879 107.7879   10.77879 103.4065 5.240424 103.4065 5.240424 -0.000000 0.000000 
1 1 1 0  20 4  o 29.42140 12.96379 12.48071   7.942269 12.48071   7.942269 12.48071   7.942269 29.42140 12.96379 29.42140 12.96379 -0.000000 0.000000 
1 1 1 0  20 5  o 545.2780 11.66432 2984.024   127.0763 2984.024   127.0763 2984.024   127.0763 545.2780 11.66432 545.2780 11.66432 -0.000000 0.000000 
1 1 1 0  20 6  o 51.15293 9.133086 28.36525   8.509575 28.36525   8.509575 28.36525   8.509575 51.15293 9.133086 51.15293 9.133086 -0.000000 0.000000 
1 1 1 0  20 7  o 430.5422 9.497378 1859.626   81.69191 1859.626   81.69191 1859.626   81.69191 430.5422 9.497378 430.5422 9.497378 -0.000000 0.000000 
1 1 1 0  20 8  o 260.9482 8.279575 683.6025   43.11518 683.6025   43.11518 683.6025   43.11518 260.9482 8.279575 260.9482 8.279575 -0.000000 0.000000 
1 1 1 0  20 9  f 969.5897 27.40168 9483.070   530.4301 9483.070   530.4301 9483.070   530.4301 969.5897 27.40168 969.5897 27.40168 -0.000000 0.000000 
1 1 1 0  20 10 o 26.32398 16.40493 5.105744   17.01915 5.105744   17.01915 5.105744   17.01915 26.32398 16.40493 26.32398 16.40493 -0.000000 0.000000 
1 1 1 0  20 11 o 675.3454 24.34573 4612.756   327.9023 4612.756   327.9023 4612.756   327.9023 675.3454 24.34573 675.3454 24.34573 -0.000000 0.000000 
1 1 1 0  20 12 o 60.11381 15.30526 42.54787   15.88454 42.54787   15.88454 42.54787   15.88454 60.11381 15.30526 60.11381 15.30526 -0.000000 0.000000 
1 1 1 0  20 13 o 236.6802 8.896004 563.3339   41.98057 563.3339   41.98057 563.3339   41.98057 236.6802 8.896004 236.6802 8.896004 -0.000000 0.000000 
1 1 1 0  20 14 o 153.9941 7.965605 239.4027   24.39412 239.4027   24.39412 239.4027   24.39412 153.9941 7.965605 153.9941 7.965605 -0.000000 0.000000 
1 1 1 0  20 15 o 302.4916 10.53039 921.8705   63.53815 921.8705   63.53815 921.8705   63.53815 302.4916 10.53039 302.4916 10.53039 -0.000000 0.000000 
1 1 1 0  20 16 o 100.9650 8.254526 104.3841   16.45185 104.3841   16.45185 104.3841   16.45185 100.9650 8.254526 100.9650 8.254526 -0.000000 0.000000 
1 1 1 0  20 17 o 202.9106 8.560218 416.4019   34.60560 416.4019   34.60560 416.4019   34.60560 202.9106 8.560218 202.9106 8.560218 -0.000000 0.000000 
1 1 1 0  20 18 o 33.31505 16.75773 17.01915   13.61532 17.01915   13.61532 17.01915   13.61532 33.31505 16.75773 33.31505 16.75773 -0.000000 0.000000 
1 1 1 0  20 19 o 55.48303 14.82452 37.44213   14.18262 37.44213   14.18262 37.44213   14.18262 55.48303 14.82452 55.48303 14.82452 -0.000000 0.000000 
1 1 1 0  21 1  o 939.5193 19.49203 8881.726   365.9117 8881.726   365.9117 8881.726   365.9117 939.5193 19.49203 939.5193 19.49203 -0.000000 0.000000 
1 1 1 0  21 2  o 160.0710 4.793989 256.9891   15.31723 256.9891   15.31723 256.9891   15.31723 160.0710 4.793989 160.0710 4.793989 -0.000000 0.000000 
1 1 1 0  21 3  o 396.6934 8.732929 1577.675   69.21120 1577.675   69.21120 1577.675   69.21120 396.6934 8.732929 396.6934 8.732929 -0.000000 0.000000 
1 1 1 0  21 4  o 208.4544 5.587925 435.6902   23.25950 435.6902   23.25950 435.6902   23.25950 208.4544 5.587925 208.4544 5.587925 -0.000000 0.000000 
1 1 1 0  21 5  o 175.7301 5.175139 309.7485   18.15376 309.7485   18.15376 309.7485   18.15376 175.7301 5.175139 175.7301 5.175139 -0.000000 0.000000 
1 1 1 0  21 6  o 360.6336 8.347257 1304.234   60.13433 1304.234   60.13433 1304.234   60.13433 360.6336 8.347257 360.6336 8.347257 -0.000000 0.000000 
1 1 1 0  21 7  o 387.7115 8.789330 1507.329   68.07660 1507.329   68.07660 1507.329   68.07660 387.7115 8.789330 387.7115 8.789330 -0.000000 0.000000 
1 1 1 0  21 8  o 120.7619 5.902192 146.9320   14.18262 146.9320   14.18262 146.9320   14.18262 120.7619 5.902192 120.7619 5.902192 -0.000000 0.000000 
1 1 1 0  21 9  o 85.06569 6.752371 73.74965   11.34610 73.74965   11.34610 73.74965   11.34610 85.06569 6.752371 85.06569 6.752371 -0.000000 0.000000 
1 1 1 0  21 10 o 360.3673 15.40965 1308.773   110.6245 1308.773   110.6245 1308.773   110.6245 360.3673 15.40965 360.3673 15.40965 -0.000000 0.000000 
1 1 1 0  21 11 o 418.4203 13.45323 1760.347   112.3264 1760.347   112.3264 1760.347   112.3264 418.4203 13.45323 418.4203 13.45323 -0.000000 0.000000 
1 1 1 0  21 12 o 403.4828 15.09041 1640.646   121.4033 1640.646   121.4033 1640.646   121.4033 403.4828 15.09041 403.4828 15.09041 -0.000000 0.000000 
1 1 1 0  21 13 o 1214.803 44.49461 15345.60   1077.879 15345.60   1077.879 15345.60   1077.879 1214.803 44.49461 1214.803 44.49461 -0.000000 0.000000 
1 1 1 0  21 14 o 90.11520 9.306230 83.96114   16.45185 83.96114   16.45185 83.96114   16.45185 90.11520 9.306230 90.11520 9.306230 -0.000000 0.000000 
1 1 1 0  21 15 o 410.8346 13.35630 1704.751   109.4899 1704.751   109.4899 1704.751   109.4899 410.8346 13.35630 410.8346 13.35630 -0.000000 0.000000 
1 1 1 0  21 16 o 229.2633 8.812689 530.4301   40.27865 530.4301   40.27865 530.4301   40.27865 229.2633 8.812689 229.2633 8.812689 -0.000000 0.000000 
1 1 1 0  21 17 o 347.5271 14.00639 1233.321   97.00916 1233.321   97.00916 1233.321   97.00916 347.5271 14.00639 347.5271 14.00639 -0.000000 0.000000 
1 1 1 0  21 18 o 86.00694 9.084690 77.15348   15.31723 77.15348   15.31723 77.15348   15.31723 86.00694 9.084690 86.00694 9.084690 -0.000000 0.000000 
1 1 1 0  21 19 o 258.1481 9.810137 679.6313   50.49014 679.6313   50.49014 679.6313   50.49014 258.1481 9.810137 258.1481 9.810137 -0.000000 0.000000 
1 1 1 0  22 0  o 267.6443 9.351314 719.3427   49.92284 719.3427   49.92284 719.3427   49.92284 267.6443 9.351314 267.6443 9.351314 0.000000  0.000000 
1 1 1 0  22 1  o 664.8154 14.17959 4436.892   188.3452 4436.892   188.3452 4436.892   188.3452 664.8154 14.17959 664.8154 14.17959 -0.000000 0.000000 
1 1 1 0  22 2  o 231.9957 5.877144 539.5070   27.23064 539.5070   27.23064 539.5070   27.23064 231.9957 5.877144 231.9957 5.877144 -0.000000 0.000000 
1 1 1 0  22 3  o 324.9529 7.515904 1058.591   48.78823 1058.591   48.78823 1058.591   48.78823 324.9529 7.515904 324.9529 7.515904 -0.000000 0.000000 
1 1 1 0  22 4  o 19.31241 12.00938 2.836525   9.076880 2.836525   9.076880 2.836525   9.076880 19.31241 12.00938 19.31241 12.00938 -0.000000 0.000000 
1 1 1 0  22 5  o 39.92240 12.22305 19.85567   8.509575 19.85567   8.509575 19.85567   8.509575 39.92240 12.22305 39.92240 12.22305 -0.000000 0.000000 
1 1 1 0  22 6  o 159.4639 5.349564 255.2872   17.01915 255.2872   17.01915 255.2872   17.01915 159.4639 5.349564 159.4639 5.349564 -0.000000 0.000000 
1 1 1 0  22 7  o 966.2270 20.21713 9401.377   390.3058 9401.377   390.3058 9401.377   390.3058 966.2270 20.21713 966.2270 20.21713 -0.000000 0.000000 
1 1 1 0  22 8  f 123.0350 6.259120 152.6050   15.31723 152.6050   15.31723 152.6050   15.31723 123.0350 6.259120 123.0350 6.259120 -0.000000 0.000000 
1 1 1 0  22 9  o 99.11409 7.231682 99.84568   14.18262 99.84568   14.18262 99.84568   14.18262 99.11409 7.231682 99.11409 7.231682 -0.000000 0.000000 
1 1 1 0  22 10 o 430.8361 12.73119 1864.164   109.4899 1864.164   109.4899 1864.164   109.4899 430.8361 12.73119 430.8361 12.73119 -0.000000 0.000000 
1 1 1 0  22 11 o 142.0750 7.430017 203.6625   20.99029 203.6625   20.99029 203.6625   20.99029 142.0750 7.430017 142.0750 7.430017 -0.000000 0.000000 
1 1 1 0  22 12 o 121.4239 8.493653 149.7685   20.42298 149.7685   20.42298 149.7685   20.42298 121.4239 8.493653 121.4239 8.493653 -0.000000 0.000000 
1 1 1 0  22 13 o 567.0602 20.97157 3255.763   237.1335 3255.763   237.1335 3255.763   237.1335 567.0602 20.97157 567.0602 20.97157 -0.000000 0.000000 
1 1 1 0  22 14 o 218.9555 8.840506 482.7765   38.57674 482.7765   38.57674 482.7765   38.57674 218.9555 8.840506 218.9555 8.840506 -0.000000 0.000000 
1 1 1 0  22 15 o 28.12677 15.92581 10.77879   13.61532 10.77879   13.61532 10.77879   13.61532 28.12677 15.92581 28.12677 15.92581 -0.000000 0.000000 
1 1 1 0  22 16 o 145.6711 8.034919 215.0086   23.25950 215.0086   23.25950 215.0086   23.25950 145.6711 8.034919 145.6711 8.034919 -0.000000 0.000000 
1 1 1 0  22 17 o 199.5226 8.563972 402.7865   34.03830 402.7865   34.03830 402.7865   34.03830 199.5226 8.563972 199.5226 8.563972 -0.000000 0.000000 
1 1 1 0  22 18 o 62.51473 12.83012 44.24979   14.18262 44.24979   14.18262 44.24979   14.18262 62.51473 12.83012 62.51473 12.83012 -0.000000 0.000000 
1 1 1 0  22 19 o 184.6005 8.178384 346.6233   30.06716 346.6233   30.06716 346.6233   30.06716 184.6005 8.178384 184.6005 8.178384 -0.000000 0.000000 
1 1 1 0  23 1  o 1130.337 23.46078 12890.87   529.8629 12890.87   529.8629 12890.87   529.8629 1130.337 23.46078 1130.337 23.46078 -0.000000 0.000000 
1 1 1 0  23 2  o 77.21034 5.947694 60.70163   9.076880 60.70163   9.076880 60.70163   9.076880 77.21034 5.947694 77.21034 5.947694 -0.000000 0.000000 
1 1 1 0  23 3  o 758.3432 15.83738 5781.972   239.9700 5781.972   239.9700 5781.972   239.9700 758.3432 15.83738 758.3432 15.83738 -0.000000 0.000000 
1 1 1 0  23 4  o 38.25772 12.57995 18.72106   8.509575 18.72106   8.509575 18.72106   8.509575 38.25772 12.57995 38.25772 12.57995 -0.000000 0.000000 
1 1 1 0  23 5  o 692.8408 14.91774 4824.361   206.4990 4824.361   206.4990 4824.361   206.4990 692.8408 14.91774 692.8408 14.91774 -0.000000 0.000000 
1 1 1 0  23 6  o 127.0286 5.154244 162.2492   13.04801 162.2492   13.04801 162.2492   13.04801 127.0286 5.154244 127.0286 5.154244 -0.000000 0.000000 
1 1 1 0  23 7  o 377.2032 12.96776 1431.310   97.57646 1431.310   97.57646 1431.310   97.57646 377.2032 12.96776 377.2032 12.96776 -0.000000 0.000000 
1 1 1 0  23 8  o 260.0138 8.199783 678.4968   42.54787 678.4968   42.54787 678.4968   42.54787 260.0138 8.199783 260.0138 8.199783 -0.000000 0.000000 
1 1 1 0  23 9  f 995.8519 28.33467 10025.98   563.3339 10025.98   563.3339 10025.98   563.3339 995.8519 28.33467 995.8519 28.33467 -0.000000 0.000000 
1 1 1 0  23 10 o 202.2554 8.021329 411.2961   32.33638 411.2961   32.33638 411.2961   32.33638 202.2554 8.021329 202.2554 8.021329 -0.000000 0.000000 
1 1 1 0  23 11 o 447.8409 14.28293 2017.904   127.6436 2017.904   127.6436 2017.904   127.6436 447.8409 14.28293 447.8409 14.28293 -0.000000 0.000000 
1 1 1 0  23 12 o 361.3072 12.12003 1313.311   87.36497 1313.311   87.36497 1313.311   87.36497 361.3072 12.12003 361.3072 12.12003 -0.000000 0.000000 
1 1 1 0  23 13 o 116.4337 8.369755 137.8551   19.28837 137.8551   19.28837 137.8551   19.28837 116.4337 8.369755 116.4337 8.369755 -0.000000 0.000000 
1 1 1 0  23 14 o 27.22214 16.54583 7.374964   16.45185 7.374964   16.45185 7.374964   16.45185 27.22214 16.54583 27.22214 16.54583 -0.000000 0.000000 
1 1 1 0  23 15 o 170.5841 8.188152 293.8640   27.79794 293.8640   27.79794 293.8640   27.79794 170.5841 8.188152 170.5841 8.188152 -0.000000 0.000000 
1 1 1 0  23 16 o 20.26902 13.57181 -3.971134  14.74993 -3.971134  14.74993 -3.971134  14.74993 20.26902 13.57181 20.26902 13.57181 -0.000000 0.000000 
1 1 1 0  23 17 o 34.03690 17.10612 17.58645   14.18262 17.58645   14.18262 17.58645   14.18262 34.03690 17.10612 34.03690 17.10612 -0.000000 0.000000 
1 1 1 0  23 18 o 40.30488 17.29928 23.82681   14.18262 23.82681   14.18262 23.82681   14.18262 40.30488 17.29928 40.30488 17.29928 -0.000000 0.000000 
1 1 1 0  23 19 o 17.45189 12.09945 -8.509575  13.61532 -8.509575  13.61532 -8.509575  13.61532 17.45189 12.09945 17.45189 12.09945 -0.000000 0.000000 
1 1 1 0  24 0  o 365.2387 11.59737 1339.407   84.52843 1339.407   84.52843 1339.407   84.52843 365.2387 11.59737 365.2387 11.59737 0.000000  0.000000 
1 1 1 0  24 1  o 493.9801 10.63401 2447.921   104.9514 2447.921   104.9514 2447.921   104.9514 493.9801 10.63401 493.9801 10.63401 -0.000000 0.000000 
1 1 1 0  24 2  o 195.2580 5.530082 382.3636   21.55759 382.3636   21.55759 382.3636   21.55759 195.2580 5.530082 195.2580 5.530082 -0.000000 0.000000 
1 1 1 0  24 3  o 306.2302 7.047966 940.0243   43.11518 940.0243   43.11518 940.0243   43.11518 306.2302 7.047966 306.2302 7.047966 -0.000000 0.000000 
1 1 1 0  24 4  o 98.58544 5.502681 98.14376   10.77879 98.14376   10.77879 98.14376   10.77879 98.58544 5.502681 98.58544 5.502681 -0.000000 0.000000 
1 1 1 0  24 5  o 278.5331 6.730030 777.7751   37.44213 777.7751   37.44213 777.7751   37.44213 278.5331 6.730030 278.5331 6.730030 -0.000000 0.000000 
1 1 1 0  24 6  f 109.4448 5.735124 120.8360   12.48071 120.8360   12.48071 120.8360   12.48071 109.4448 5.735124 109.4448 5.735124 -0.000000 0.000000 
1 1 1 0  24 7  o 220.8040 7.469617 489.5842   32.90369 489.5842   32.90369 489.5842   32.90369 220.8040 7.469617 220.8040 7.469617 -0.000000 0.000000 
1 1 1 0  24 8  o 326.5571 11.58445 1071.639   75.45156 1071.639   75.45156 1071.639   75.45156 326.5571 11.58445 326.5571 11.58445 -0.000000 0.000000 
1 1 1 0  24 9  o 50.31214 14.92668 31.20177   13.04801 31.20177   13.04801 31.20177   13.04801 50.31214 14.92668 50.31214 14.92668 -0.000000 0.000000 
1 1 1 0  24 10 o 297.3724 10.04065 888.3995   59.56702 888.3995   59.56702 888.3995   59.56702 297.3724 10.04065 297.3724 10.04065 -0.000000 0.000000 
1 1 1 0  24 11 f 590.0746 21.40484 3519.560   251.8834 3519.560   251.8834 3519.560   251.8834 590.0746 21.40484 590.0746 21.40484 -0.000000 0.000000 
1 1 1 0  24 12 o 192.7212 8.126272 373.8540   31.20177 373.8540   31.20177 373.8540   31.20177 192.7212 8.126272 192.7212 8.126272 -0.000000 0.000000 
1 1 1 0  24 13 o 364.1571 12.41659 1335.436   90.20149 1335.436   90.20149 1335.436   90.20149 364.1571 12.41659 364.1571 12.41659 -0.000000 0.000000 
1 1 1 0  24 14 o 79.02140 13.16744 66.94199   19.28837 66.94199   19.28837 66.94199   19.28837 79.02140 13.16744 79.02140 13.16744 -0.000000 0.000000 
1 1 1 0  24 15 o 322.3206 11.20605 1048.380   72.04772 1048.380   72.04772 1048.380   72.04772 322.3206 11.20605 322.3206 11.20605 -0.000000 0.000000 
1 1 1 0  24 16 o 43.18125 17.90997 26.66333   15.31723 26.66333   15.31723 26.66333   15.31723 43.18125 17.90997 43.18125 17.90997 -0.000000 0.000000 
1 1 1 0  24 17 o 206.2633 8.419079 430.5845   34.60560 430.5845   34.60560 430.5845   34.60560 206.2633 8.419079 206.2633 8.419079 -0.000000 0.000000 
1 1 1 0  24 18 o 68.43430 12.90489 52.19205   15.88454 52.19205   15.88454 52.19205   15.88454 68.43430 12.90489 68.43430 12.90489 -0.000000 0.000000 
1 1 1 0  24 19 o 322.5311 13.77376 1080.149   88.49958 1080.149   88.49958 1080.149   88.49958 322.5311 13.77376 322.5311 13.77376 -0.000000 0.000000 
1 1 1 0  25 1  o 133.7556 5.319958 179.8357   14.18262 179.8357   14.18262 179.8357   14.18262 133.7556 5.319958 133.7556 5.319958 -0.000000 0.000000 
1 1 1 0  25 2  o 96.76967 5.907996 94.73994   11.34610 94.73994   11.34610 94.73994   11.34610 96.76967 5.907996 96.76967 5.907996 -0.000000 0.000000 
1 1 1 0  25 3  o 868.2040 21.03498 7605.858   364.7771 7605.858   364.7771 7605.858   364.7771 868.2040 21.03498 868.2040 21.03498 -0.000000 0.000000 
1 1 1 0  25 4  o 157.7177 5.047110 249.6142   15.88454 249.6142   15.88454 249.6142   15.88454 157.7177 5.047110 157.7177 5.047110 -0.000000 0.000000 
1 1 1 0  25 5  o 581.2524 12.45679 3393.618   144.6628 3393.618   144.6628 3393.618   144.6628 581.2524 12.45679 581.2524 12.45679 -0.000000 0.000000 
1 1 1 0  25 6  o 104.9111 5.989038 111.1918   12.48071 111.1918   12.48071 111.1918   12.48071 104.9111 5.989038 104.9111 5.989038 -0.000000 0.000000 
1 1 1 0  25 7  o 39.74603 17.32353 22.69220   14.18262 22.69220   14.18262 22.69220   14.18262 39.74603 17.32353 39.74603 17.32353 -0.000000 0.000000 
1 1 1 0  25 8  o 36.26112 15.46264 18.72106   11.34610 18.72106   11.34610 18.72106   11.34610 36.26112 15.46264 36.26112 15.46264 -0.000000 0.000000 
1 1 1 0  25 9  o 906.0222 25.78083 8284.922   466.3247 8284.922   466.3247 8284.922   466.3247 906.0222 25.78083 906.0222 25.78083 -0.000000 0.000000 
1 1 1 0  25 10 o 129.3679 7.283962 169.0569   18.72106 169.0569   18.72106 169.0569   18.72106 129.3679 7.283962 129.3679 7.283962 -0.000000 0.000000 
1 1 1 0  25 11 o 223.9519 8.640700 504.3341   38.57674 504.3341   38.57674 504.3341   38.57674 223.9519 8.640700 223.9519 8.640700 -0.000000 0.000000 
1 1 1 0  25 12 o 87.49924 9.603087 79.42269   16.45185 79.42269   16.45185 79.42269   16.45185 87.49924 9.603087 87.49924 9.603087 -0.000000 0.000000 
1 1 1 0  25 13 o 232.4613 9.305971 544.0455   43.11518 544.0455   43.11518 544.0455   43.11518 232.4613 9.305971 232.4613 9.305971 -0.000000 0.000000 
1 1 1 0  25 14 o 165.4033 8.275626 276.2775   27.23064 276.2775   27.23064 276.2775   27.23064 165.4033 8.275626 165.4033 8.275626 -0.000000 0.000000 
1 1 1 0  25 15 o 398.2924 13.49398 1606.041   107.2206 1606.041   107.2206 1606.041   107.2206 398.2924 13.49398 398.2924 13.49398 -0.000000 0.000000 
1 1 1 0  25 16 o 60.85934 15.09493 43.68248   15.88454 43.68248   15.88454 43.68248   15.88454 60.85934 15.09493 60.85934 15.09493 -0.000000 0.000000 
1 1 1 0  25 17 o 260.2267 9.950847 687.5735   51.62476 687.5735   51.62476 687.5735   51.62476 260.2267 9.950847 260.2267 9.950847 -0.000000 0.000000 
1 1 1 0  25 18 o 169.6575 8.403437 292.7294   28.36525 292.7294   28.36525 292.7294   28.36525 169.6575 8.403437 169.6575 8.403437 -0.000000 0.000000 
1 1 1 0  26 0  o 211.0974 7.681315 447.6036   32.33638 447.6036   32.33638 447.6036   32.33638 211.0974 7.681315 211.0974 7.681315 0.000000  0.000000 
1 1 1 0  26 1  o 658.1565 13.89135 4351.229   182.6722 4351.229   182.6722 4351.229   182.6722 658.1565 13.89135 658.1565 13.89135 -0.000000 0.000000 
1 1 1 0  26 2  o 368.7783 8.547972 1363.801   62.97085 1363.801   62.97085 1363.801   62.97085 368.7783 8.547972 368.7783 8.547972 -0.000000 0.000000 
1 1 1 0  26 3  o 284.1754 6.796118 809.5441   38.57674 809.5441   38.57674 809.5441   38.57674 284.1754 6.796118 284.1754 6.796118 -0.000000 0.000000 
1 1 1 0  26 4  o 28.33890 14.12809 11.91340   9.644185 11.91340   9.644185 11.91340   9.644185 28.33890 14.12809 28.33890 14.12809 -0.000000 0.000000 
1 1 1 0  26 5  o 405.6383 9.170918 1650.857   74.31695 1650.857   74.31695 1650.857   74.31695 405.6383 9.170918 405.6383 9.170918 -0.000000 0.000000 
1 1 1 0  26 6  o 110.8645 7.752152 124.8071   17.01915 124.8071   17.01915 124.8071   17.01915 110.8645 7.752152 110.8645 7.752152 -0.000000 0.000000 
1 1 1 0  26 7  o 1016.589 28.81852 10441.25   584.8914 10441.25   584.8914 10441.25   584.8914 1016.589 28.81852 1016.589 28.81852 -0.000000 0.000000 
1 1 1 0  26 8  o 266.8860 8.307729 714.8043   44.24979 714.8043   44.24979 714.8043   44.24979 266.8860 8.307729 266.8860 8.307729 -0.000000 0.000000 
1 1 1 0  26 9  o 186.3260 7.178191 348.8925   26.66333 348.8925   26.66333 348.8925   26.66333 186.3260 7.178191 186.3260 7.178191 -0.000000 0.000000 
1 1 1 0  26 10 o 37.42493 16.97191 20.42298   13.61532 20.42298   13.61532 20.42298   13.61532 37.42493 16.97191 37.42493 16.97191 -0.000000 0.000000 
1 1 1 0  26 11 o 706.3547 22.09387 5040.505   311.4504 5040.505   311.4504 5040.505   311.4504 706.3547 22.09387 706.3547 22.09387 -0.000000 0.000000 
1 1 1 0  26 12 o 119.6179 8.138967 145.2301   19.28837 145.2301   19.28837 145.2301   19.28837 119.6179 8.138967 119.6179 8.138967 -0.000000 0.000000 
1 1 1 0  26 13 o 327.5187 11.37548 1079.581   74.31695 1079.581   74.31695 1079.581   74.31695 327.5187 11.37548 327.5187 11.37548 -0.000000 0.000000 
1 1 1 0  26 14 o 157.9354 8.858830 252.4507   27.79794 252.4507   27.79794 252.4507   27.79794 157.9354 8.858830 157.9354 8.858830 -0.000000 0.000000 
1 1 1 0  26 15 o 205.6389 10.96278 429.4498   44.81709 429.4498   44.81709 429.4498   44.81709 205.6389 10.96278 205.6389 10.96278 -0.000000 0.000000 
1 1 1 0  26 16 o 21.46938 14.11773 -1.134610  14.74993 -1.134610  14.74993 -1.134610  14.74993 21.46938 14.11773 21.46938 14.11773 -0.000000 0.000000 
1 1 1 0  26 17 o 439.1095 17.17535 2000.885   150.3358 2000.885   150.3358 2000.885   150.3358 439.1095 17.17535 439.1095 17.17535 -0.000000 0.000000 
1 1 1 0  26 18 o 119.5779 8.874175 146.9320   20.99029 146.9320   20.99029 146.9320   20.99029 119.5779 8.874175 119.5779 8.874175 -0.000000 0.000000 
1 1 1 0  27 1  f 605.0166 12.95304 3675.569   156.5762 3675.569   156.5762 3675.569   156.5762 605.0166 12.95304 605.0166 12.95304 -0.000000 0.000000 
1 1 1 0  27 2  o 302.1960 7.330950 915.6301   44.24979 915.6301   44.24979 915.6301   44.24979 302.1960 7.330950 302.1960 7.330950 -0.000000 0.000000 
1 1 1 0  27 3  o 102.9771 6.104545 107.2206   12.48071 107.2206   12.48071 107.2206   12.48071 102.9771 6.104545 102.9771 6.104545 -0.000000 0.000000 
1 1 1 0  27 4  o 240.3461 6.145861 579.2183   29.49986 579.2183   29.49986 579.2183   29.49986 240.3461 6.145861 240.3461 6.145861 -0.000000 0.000000 
1 1 1 0  27 5  o 55.02916 14.93523 36.30752   14.18262 36.30752   14.18262 36.30752   14.18262 55.02916 14.93523 55.02916 14.93523 -0.000000 0.000000 
1 1 1 0  27 6  o 117.8398 6.296381 140.1243   14.74993 140.1243   14.74993 140.1243   14.74993 117.8398 6.296381 117.8398 6.296381 -0.000000 0.000000 
1 1 1 0  27 7  o 1272.679 51.75949 16661.18   1312.744 16661.18   1312.744 16661.18   1312.744 1272.679 51.75949 1272.679 51.75949 -0.000000 0.000000 
1 1 1 0  27 8  o 219.7896 7.504435 485.0457   32.90369 485.0457   32.90369 485.0457   32.90369 219.7896 7.504435 219.7896 7.504435 -0.000000 0.000000 
1 1 1 0  27 9  o 668.7402 19.16434 4500.430   255.8545 4500.430   255.8545 4500.430   255.8545 668.7402 19.16434 668.7402 19.16434 -0.000000 0.000000 
1 1 1 0  27 10 o 289.0522 9.937039 839.6114   57.29780 839.6114   57.29780 839.6114   57.29780 289.0522 9.937039 289.0522 9.937039 -0.000000 0.000000 
1 1 1 0  27 11 o 231.2912 8.610719 537.8051   39.71135 537.8051   39.71135 537.8051   39.71135 231.2912 8.610719 231.2912 8.610719 -0.000000 0.000000 
1 1 1 0  27 12 o 59.23565 16.61574 42.54787   17.01915 42.54787   17.01915 42.54787   17.01915 59.23565 16.61574 59.23565 16.61574 -0.000000 0.000000 
1 1 1 0  27 13 o 359.9054 14.23469 1307.638   102.1149 1307.638   102.1149 1307.638   102.1149 359.9054 14.23469 359.9054 14.23469 -0.000000 0.000000 
1 1 1 0  27 14 o 232.1035 9.320512 542.9108   43.11518 542.9108   43.11518 542.9108   43.11518 232.1035 9.320512 232.1035 9.320512 -0.000000 0.000000 
1 1 1 0  27 15 o 18.81212 13.29385 -18.72106  18.72106 -18.72106  18.72106 -18.72106  18.72106 18.81212 13.29385 18.81212 13.29385 -0.000000 0.000000 
1 1 1 0  27 16 o 114.6110 9.532206 135.0186   21.55759 135.0186   21.55759 135.0186   21.55759 114.6110 9.532206 114.6110 9.532206 -0.000000 0.000000 
1 1 1 0  27 17 o 19.45692 13.42624 -9.644185  16.45185 -9.644185  16.45185 -9.644185  16.45185 19.45692 13.42624 19.45692 13.42624 -0.000000 0.000000 
1 1 1 0  27 18 o 62.92329 12.70888 44.81709   14.18262 44.81709   14.18262 44.81709   14.18262 62.92329 12.70888 62.92329 12.70888 -0.000000 0.000000 
1 1 1 0  28 0  o 282.0457 9.477009 798.7654   53.32666 798.7654   53.32666 798.7654   53.32666 282.0457 9.477009 282.0457 9.477009 0.000000  0.000000 
1 1 1 0  28 1  o 285.9595 6.853072 819.7557   39.14404 819.7557   39.14404 819.7557   39.14404 285.9595 6.853072 285.9595 6.853072 -0.000000 0.000000 
1 1 1 0  28 2  o 96.41297 6.231671 94.17262   11.91340 94.17262   11.91340 94.17262   11.91340 96.41297 6.231671 96.41297 6.231671 -0.000000 0.000000 
1 1 1 0  28 3  o 188.4346 5.731859 356.2675   21.55759 356.2675   21.55759 356.2675   21.55759 188.4346 5.731859 188.4346 5.731859 -0.000000 0.000000 
1 1 1 0  28 4  o 259.4703 6.458747 675.0929   33.47099 675.0929   33.47099 675.0929   33.47099 259.4703 6.458747 259.4703 6.458747 -0.000000 0.000000 
1 1 1 0  28 5  o 1000.606 24.24084 10111.64   484.4784 10111.64   484.4784 10111.64   484.4784 1000.606 24.24084 1000.606 24.24084 -0.000000 0.000000 
1 1 1 0  28 6  o 20.44064 13.01141 1.701915   11.34610 1.701915   11.34610 1.701915   11.34610 20.44064 13.01141 20.44064 13.01141 -0.000000 0.000000 
1 1 1 0  28 7  o 148.6994 11.38659 225.2201   33.47099 225.2201   33.47099 225.2201   33.47099 148.6994 11.38659 148.6994 11.38659 -0.000000 0.000000 
1 1 1 0  28 8  o 434.4350 13.01893 1895.933   112.8937 1895.933   112.8937 1895.933   112.8937 434.4350 13.01893 434.4350 13.01893 -0.000000 0.000000 
1 1 1 0  28 9  o 1016.542 31.48601 10482.66   638.7853 10482.66   638.7853 10482.66   638.7853 1016.542 31.48601 1016.542 31.48601 -0.000000 0.000000 
1 1 1 0  28 10 o 402.1286 13.15090 1626.464   105.5187 1626.464   105.5187 1626.464   105.5187 402.1286 13.15090 402.1286 13.15090 -0.000000 0.000000 
1 1 1 0  28 11 o 154.1802 8.142861 239.9700   24.96142 239.9700   24.96142 239.9700   24.96142 154.1802 8.142861 154.1802 8.142861 -0.000000 0.000000 
1 1 1 0  28 12 o 177.6976 8.339893 318.2581   29.49986 318.2581   29.49986 318.2581   29.49986 177.6976 8.339893 177.6976 8.339893 -0.000000 0.000000 
1 1 1 0  28 13 o 75.72028 11.94199 60.70163   17.01915 60.70163   17.01915 60.70163   17.01915 75.72028 11.94199 75.72028 11.94199 -0.000000 0.000000 
1 1 1 0  28 14 o 104.5883 10.21334 112.8937   20.99029 112.8937   20.99029 112.8937   20.99029 104.5883 10.21334 104.5883 10.21334 -0.000000 0.000000 
1 1 1 0  28 15 f 60.61638 16.27902 44.24979   17.01915 44.24979   17.01915 44.24979   17.01915 60.61638 16.27902 60.61638 16.27902 -0.000000 0.000000 
1 1 1 0  28 16 o 15.73993 11.39604 -27.23064  17.01915 -27.23064  17.01915 -27.23064  17.01915 15.73993 11.39604 15.73993 11.39604 -0.000000 0.000000 
1 1 1 0  28 17 o 42.33712 18.65808 26.66333   16.45185 26.66333   16.45185 26.66333   16.45185 42.33712 18.65808 42.33712 18.65808 -0.000000 0.000000 
1 1 1 0  28 18 o 112.0106 9.501244 129.9128   20.99029 129.9128   20.99029 129.9128   20.99029 112.0106 9.501244 112.0106 9.501244 -0.000000 0.000000 
1 1 1 0  29 1  o 413.8091 9.126590 1717.232   75.45156 1717.232   75.45156 1717.232   75.45156 413.8091 9.126590 413.8091 9.126590 -0.000000 0.000000 
1 1 1 0  29 2  o 82.07610 7.730592 69.21120   12.48071 69.21120   12.48071 69.21120   12.48071 82.07610 7.730592 82.07610 7.730592 -0.000000 0.000000 
1 1 1 0  29 3  o 182.0275 5.464888 332.4407   19.85567 332.4407   19.85567 332.4407   19.85567 182.0275 5.464888 182.0275 5.464888 -0.000000 0.000000 
1 1 1 0  29 4  o 87.70982 7.881778 78.85539   13.61532 78.85539   13.61532 78.85539   13.61532 87.70982 7.881778 87.70982 7.881778 -0.000000 0.000000 
1 1 1 0  29 5  o 173.9341 6.707996 304.0754   23.25950 304.0754   23.25950 304.0754   23.25950 173.9341 6.707996 173.9341 6.707996 -0.000000 0.000000 
1 1 1 0  29 6  o 270.8801 8.394958 736.3619   45.38440 736.3619   45.38440 736.3619   45.38440 270.8801 8.394958 270.8801 8.394958 -0.000000 0.000000 
1 1 1 0  29 7  o 124.7678 6.863983 157.1435   17.01915 157.1435   17.01915 157.1435   17.01915 124.7678 6.863983 124.7678 6.863983 -0.000000 0.000000 
1 1 1 0  29 8  o 265.6317 9.745975 709.1312   51.62476 709.1312   51.62476 709.1312   51.62476 265.6317 9.745975 265.6317 9.745975 -0.000000 0.000000 
1 1 1 0  29 9  o 225.9985 8.561483 513.4110   38.57674 513.4110   38.57674 513.4110   38.57674 225.9985 8.561483 225.9985 8.561483 -0.000000 0.000000 
1 1 1 0  29 10 o 293.2204 10.57436 864.5728   61.83624 864.5728   61.83624 864.5728   61.83624 293.2204 10.57436 293.2204 10.57436 -0.000000 0.000000 
1 1 1 0  29 11 o 67.16150 16.60622 52.75936   19.28837 52.75936   19.28837 52.75936   19.28837 67.16150 16.60622 67.16150 16.60622 -0.000000 0.000000 
1 1 1 0  29 12 o 112.7512 11.01022 131.0475   24.39412 131.0475   24.39412 131.0475   24.39412 112.7512 11.01022 112.7512 11.01022 -0.000000 0.000000 
1 1 1 0  29 13 o 274.8052 9.937446 760.1886   54.46128 760.1886   54.46128 760.1886   54.46128 274.8052 9.937446 274.8052 9.937446 -0.000000 0.000000 
1 1 1 0  29 14 o 94.05245 10.16102 91.90340   18.72106 91.90340   18.72106 91.90340   18.72106 94.05245 10.16102 94.05245 10.16102 -0.000000 0.000000 
1 1 1 0  29 15 o 531.2720 19.97644 2904.034   211.6048 2904.034   211.6048 2904.034   211.6048 531.2720 19.97644 531.2720 19.97644 -0.000000 0.000000 
1 1 1 0  29 16 o 198.2117 10.65472 399.9500   41.98057 399.9500   41.98057 399.9500   41.98057 198.2117 10.65472 198.2117 10.65472 -0.000000 0.000000 
1 1 1 0  29 17 o 113.0831 9.667295 132.1821   21.55759 132.1821   21.55759 132.1821   21.55759 113.0831 9.667295 113.0831 9.667295 -0.000000 0.000000 
1 1 1 0  29 18 o 151.2492 8.686683 233.7296   26.09603 233.7296   26.09603 233.7296   26.09603 151.2492 8.686683 151.2492 8.686683 -0.000000 0.000000 
1 1 1 0  30 0  o 635.8019 19.26733 4067.010   244.5084 4067.010   244.5084 4067.010   244.5084 635.8019 19.26733 635.8019 19.26733 0.000000  0.000000 
1 1 1 0  30 1  o 281.2558 6.765787 793.0923   38.00943 793.0923   38.00943 793.0923   38.00943 281.2558 6.765787 281.2558 6.765787 -0.000000 0.000000 
1 1 1 0  30 2  o 111.7667 5.613463 125.9417   12.48071 125.9417   12.48071 125.9417   12.48071 111.7667 5.613463 111.7667 5.613463 -0.000000 0.000000 
1 1 1 0  30 3  o 503.4240 12.52571 2546.632   125.9417 2546.632   125.9417 2546.632   125.9417 503.4240 12.52571 503.4240 12.52571 -0.000000 0.000000 
1 1 1 0  30 4  o 24.92127 15.10223 6.240355   13.61532 6.240355   13.61532 6.240355   13.61532 24.92127 15.10223 24.92127 15.10223 -0.000000 0.000000 
1 1 1 0  30 5  o 1293.656 42.66100 17158.71   1101.139 17158.71   1101.139 17158.71   1101.139 1293.656 42.66100 1293.656 42.66100 -0.000000 0.000000 
1 1 1 0  30 6  o 78.57373 8.858109 64.10546   13.61532 64.10546   13.61532 64.10546   13.61532 78.57373 8.858109 78.57373 8.858109 -0.000000 0.000000 
1 1 1 0  30 7  o 329.8327 10.08262 1092.062   66.37468 1092.062   66.37468 1092.062   66.37468 329.8327 10.08262 329.8327 10.08262 -0.000000 0.000000 
1 1 1 0  30 8  o 330.4180 10.23737 1096.033   67.50929 1096.033   67.50929 1096.033   67.50929 330.4180 10.23737 330.4180 10.23737 -0.000000 0.000000 
1 1 1 0  30 9  o 1028.952 37.10041 10812.83   761.3232 10812.83   761.3232 10812.83   761.3232 1028.952 37.10041 1028.952 37.10041 -0.000000 0.000000 
1 1 1 0  30 10 o 285.1711 10.07370 817.4865   57.29780 817.4865   57.29780 817.4865   57.29780 285.1711 10.07370 285.1711 10.07370 -0.000000 0.000000 
1 1 1 0  30 11 o 384.2012 12.58057 1485.204   96.44185 1485.204   96.44185 1485.204   96.44185 384.2012 12.58057 384.2012 12.58057 -0.000000 0.000000 
1 1 1 0  30 12 o 160.5721 10.15262 261.5276   32.33638 261.5276   32.33638 261.5276   32.33638 160.5721 10.15262 160.5721 10.15262 -0.000000 0.000000 
1 1 1 0  30 13 o 39.43106 19.92309 23.25950   19.28837 23.25950   19.28837 23.25950   19.28837 39.43106 19.92309 39.43106 19.92309 -0.000000 0.000000 
1 1 1 0  30 14 o 34.19522 18.55299 17.01915   17.58645 17.01915   17.58645 17.01915   17.58645 34.19522 18.55299 34.19522 18.55299 -0.000000 0.000000 
1 1 1 0  30 15 o 290.1221 10.88586 852.0920   62.97085 852.0920   62.97085 852.0920   62.97085 290.1221 10.88586 290.1221 10.88586 -0.000000 0.000000 
1 1 1 0  30 16 o 166.6104 10.12206 283.0852   33.47099 283.0852   33.47099 283.0852   33.47099 166.6104 10.12206 166.6104 10.12206 -0.000000 0.000000 
1 1 1 0  30 17 f 177.1080 8.693140 318.8254   30.63447 318.8254   30.63447 318.8254   30.63447 177.1080 8.693140 177.1080 8.693140 -0.000000 0.000000 
1 1 1 0  30 18 o 28.15759 17.24120 8.509575   18.15376 8.509575   18.15376 8.509575   18.15376 28.15759 17.24120 28.15759 17.24120 -0.000000 0.000000 
1 1 1 0  31 1  o 293.0219 7.270115 861.1690   42.54787 861.1690   42.54787 861.1690   42.54787 293.0219 7.270115 293.0219 7.270115 -0.000000 0.000000 
1 1 1 0  31 2  o 368.1203 12.04881 1363.234   88.49958 1363.234   88.49958 1363.234   88.49958 368.1203 12.04881 368.1203 12.04881 -0.000000 0.000000 
1 1 1 0  31 3  o 939.5560 22.52032 8906.688   422.6422 8906.688   422.6422 8906.688   422.6422 939.5560 22.52032 939.5560 22.52032 -0.000000 0.000000 
1 1 1 0  31 4  o 221.7949 7.693634 494.1226   34.03830 494.1226   34.03830 494.1226   34.03830 221.7949 7.693634 221.7949 7.693634 -0.000000 0.000000 
1 1 1 0  31 5  o 346.4005 10.33790 1204.388   71.48043 1204.388   71.48043 1204.388   71.48043 346.4005 10.33790 346.4005 10.33790 -0.000000 0.000000 
1 1 1 0  31 6  f 23.90337 14.30649 6.240355   11.91340 6.240355   11.91340 6.240355   11.91340 23.90337 14.30649 23.90337 14.30649 -0.000000 0.000000 
1 1 1 0  31 7  o 332.3895 11.89518 1110.783   78.85539 1110.783   78.85539 1110.783   78.85539 332.3895 11.89518 332.3895 11.89518 -0.000000 0.000000 
1 1 1 0  31 8  o 281.3892 9.600897 795.3616   53.89397 795.3616   53.89397 795.3616   53.89397 281.3892 9.600897 281.3892 9.600897 -0.000000 0.000000 
1 1 1 0  31 9  o 875.9485 39.38609 7882.136   687.0063 7882.136   687.0063 7882.136   687.0063 875.9485 39.38609 875.9485 39.38609 -0.000000 0.000000 
1 1 1 0  31 10 o 358.2722 11.90468 1290.619   85.09574 1290.619   85.09574 1290.619   85.09574 358.2722 11.90468 358.2722 11.90468 -0.000000 0.000000 
1 1 1 0  31 11 o 454.5500 14.82411 2080.875   134.4513 2080.875   134.4513 2080.875   134.4513 454.5500 14.82411 454.5500 14.82411 -0.000000 0.000000 
1 1 1 0  31 12 o 400.4081 15.27920 1618.521   121.9706 1618.521   121.9706 1618.521   121.9706 400.4081 15.27920 400.4081 15.27920 -0.000000 0.000000 
1 1 1 0  31 13 o 396.3745 12.83914 1585.050   101.5476 1585.050   101.5476 1585.050   101.5476 396.3745 12.83914 396.3745 12.83914 -0.000000 0.000000 
1 1 1 0  31 14 o 245.5302 11.49100 610.4202   56.16319 610.4202   56.16319 610.4202   56.16319 245.5302 11.49100 245.5302 11.49100 -0.000000 0.000000 
1 1 1 0  31 15 o 270.1051 10.11238 738.0638   54.46128 738.0638   54.46128 738.0638   54.46128 270.1051 10.11238 270.1051 10.11238 -0.000000 0.000000 
1 1 1 0  31 16 o 263.4385 9.936716 703.4582   52.19205 703.4582   52.19205 703.4582   52.19205 263.4385 9.936716 263.4385 9.936716 -0.000000 0.000000 
1 1 1 0  31 17 o 119.8328 11.80819 150.3358   27.79794 150.3358   27.79794 150.3358   27.79794 119.8328 11.80819 119.8328 11.80819 -0.000000 0.000000 
1 1 1 0  31 18 o 147.3576 9.316252 222.9509   27.23064 222.9509   27.23064 222.9509   27.23064 147.3576 9.316252 147.3576 9.316252 -0.000000 0.000000 
1 1 1 0  32 0  o 43.51225 20.17484 27.79794   19.28837 27.79794   19.28837 27.79794   19.28837 43.51225 20.17484 43.51225 20.17484 0.000000  0.000000 
1 1 1 0  32 1  o 352.9318 11.27715 1252.042   79.42269 1252.042   79.42269 1252.042   79.42269 352.9318 11.27715 352.9318 11.27715 -0.000000 0.000000 
1 1 1 0  32 2  f 17.63544 12.10481 -7.374964  13.04801 -7.374964  13.04801 -7.374964  13.04801 17.63544 12.10481 17.63544 12.10481 -0.000000 0.000000 
1 1 1 0  32 3  o 382.6340 13.00594 1472.724   99.27837 1472.724   99.27837 1472.724   99.27837 382.6340 13.00594 382.6340 13.00594 -0.000000 0.000000 
1 1 1 0  32 4  o 414.1557 14.14495 1725.174   116.8648 1725.174   116.8648 1725.174   116.8648 414.1557 14.14495 414.1557 14.14495 -0.000000 0.000000 
1 1 1 0  32 5  o 347.0919 12.04497 1210.629   83.39383 1210.629   83.39383 1210.629   83.39383 347.0919 12.04497 347.0919 12.04497 -0.000000 0.000000 
1 1 1 0  32 6  f 19.75580 13.09839 -2.269220  13.04801 -2.269220  13.04801 -2.269220  13.04801 19.75580 13.09839 19.75580 13.09839 -0.000000 0.000000 
1 1 1 0  32 7  o 390.2523 16.34326 1535.127   127.0763 1535.127   127.0763 1535.127   127.0763 390.2523 16.34326 390.2523 16.34326 -0.000000 0.000000 
1 1 1 0  32 8  o 381.4283 12.67288 1462.512   96.44185 1462.512   96.44185 1462.512   96.44185 381.4283 12.67288 381.4283 12.67288 -0.000000 0.000000 
1 1 1 0  32 9  o 269.1163 9.405867 727.8522   50.49014 727.8522   50.49014 727.8522   50.49014 269.1163 9.405867 269.1163 9.405867 -0.000000 0.000000 
1 1 1 0  32 10 o 604.6870 19.27573 3690.319   232.5950 3690.319   232.5950 3690.319   232.5950 604.6870 19.27573 604.6870 19.27573 -0.000000 0.000000 
1 1 1 0  32 11 o 1008.945 31.61193 10392.46   636.5162 10392.46   636.5162 10392.46   636.5162 1008.945 31.61193 1008.945 31.61193 -0.000000 0.000000 
1 1 1 0  32 12 o 360.7534 12.29725 1310.474   88.49958 1310.474   88.49958 1310.474   88.49958 360.7534 12.29725 360.7534 12.29725 -0.000000 0.000000 
1 1 1 0  32 13 o 378.4795 12.84808 1445.493   97.00916 1445.493   97.00916 1445.493   97.00916 378.4795 12.84808 378.4795 12.84808 -0.000000 0.000000 
1 1 1 0  32 14 o 321.6537 13.18766 1050.082   84.52843 1050.082   84.52843 1050.082   84.52843 321.6537 13.18766 321.6537 13.18766 -0.000000 0.000000 
1 1 1 0  32 15 o 580.1501 21.87398 3500.272   253.0180 3500.272   253.0180 3500.272   253.0180 580.1501 21.87398 580.1501 21.87398 -0.000000 0.000000 
1 1 1 0  32 16 o 159.6380 8.762040 259.2584   27.79794 259.2584   27.79794 259.2584   27.79794 159.6380 8.762040 159.6380 8.762040 -0.000000 0.000000 
1 1 1 0  32 17 o 64.30605 18.81329 52.19205   20.99029 52.19205   20.99029 52.19205   20.99029 64.30605 18.81329 64.30605 18.81329 -0.000000 0.000000 
1 1 1 0  32 18 o 156.7463 9.666992 252.4507   30.06716 252.4507   30.06716 252.4507   30.06716 156.7463 9.666992 156.7463 9.666992 -0.000000 0.000000 
1 1 1 0  33 1  o 277.9213 6.949865 774.3713   38.57674 774.3713   38.57674 774.3713   38.57674 277.9213 6.949865 277.9213 6.949865 -0.000000 0.000000 
1 1 1 0  33 2  o 214.2718 7.566272 461.2190   32.33638 461.2190   32.33638 461.2190   32.33638 214.2718 7.566272 214.2718 7.566272 -0.000000 0.000000 
1 1 1 0  33 3  o 51.31198 15.83407 32.90369   14.18262 32.90369   14.18262 32.90369   14.18262 51.31198 15.83407 51.31198 15.83407 -0.000000 0.000000 
1 1 1 0  33 4  f 291.7484 9.159006 854.3613   53.32666 854.3613   53.32666 854.3613   53.32666 291.7484 9.159006 291.7484 9.159006 -0.000000 0.000000 
1 1 1 0  33 5  o 392.1744 11.44938 1543.637   89.63419 1543.637   89.63419 1543.637   89.63419 392.1744 11.44938 392.1744 11.44938 -0.000000 0.000000 
1 1 1 0  33 6  o 393.8675 16.19109 1563.492   127.0763 1563.492   127.0763 1563.492   127.0763 393.8675 16.19109 393.8675 16.19109 -0.000000 0.000000 
1 1 1 0  33 7  f 75.73087 9.614427 60.13433   14.18262 60.13433   14.18262 60.13433   14.18262 75.73087 9.614427 75.73087 9.614427 -0.000000 0.000000 
1 1 1 0  33 8  o 292.7344 10.20135 861.1690   59.56702 861.1690   59.56702 861.1690   59.56702 292.7344 10.20135 292.7344 10.20135 -0.000000 0.000000 
1 1 1 0  33 9  o 358.3612 11.90170 1291.186   85.09574 1291.186   85.09574 1291.186   85.09574 358.3612 11.90170 358.3612 11.90170 -0.000000 0.000000 
1 1 1 0  33 10 o 326.3893 12.73039 1073.341   82.82652 1073.341   82.82652 1073.341   82.82652 326.3893 12.73039 326.3893 12.73039 -0.000000 0.000000 
1 1 1 0  33 11 o 31.28340 18.12957 12.48071   18.15376 12.48071   18.15376 12.48071   18.15376 31.28340 18.12957 31.28340 18.12957 -0.000000 0.000000 
1 1 1 0  33 12 o 308.6108 10.68995 958.7454   65.80738 958.7454   65.80738 958.7454   65.80738 308.6108 10.68995 308.6108 10.68995 -0.000000 0.000000 
1 1 1 0  33 13 o 148.4763 9.048550 223.5181   26.66333 223.5181   26.66333 223.5181   26.66333 148.4763 9.048550 148.4763 9.048550 -0.000000 0.000000 
1 1 1 0  33 14 o 40.16547 19.73941 24.39412   18.72106 24.39412   18.72106 24.39412   18.72106 40.16547 19.73941 40.16547 19.73941 -0.000000 0.000000 
1 1 1 0  33 15 o 343.7114 13.91384 1205.523   95.30723 1205.523   95.30723 1205.523   95.30723 343.7114 13.91384 343.7114 13.91384 -0.000000 0.000000 
1 1 1 0  33 16 o 119.4657 9.619073 146.9320   22.69220 146.9320   22.69220 146.9320   22.69220 119.4657 9.619073 119.4657 9.619073 -0.000000 0.000000 
1 1 1 0  33 17 o 90.52745 11.51398 84.52843   20.99029 84.52843   20.99029 84.52843   20.99029 90.52745 11.51398 90.52745 11.51398 -0.000000 0.000000 
1 1 1 0  34 0  o 103.3451 11.21040 110.6245   22.69220 110.6245   22.69220 110.6245   22.69220 103.3451 11.21040 103.3451 11.21040 0.000000  0.000000 
1 1 1 0  34 1  o 562.9858 23.21146 3209.811   260.3930 3209.811   260.3930 3209.811   260.3930 562.9858 23.21146 562.9858 23.21146 -0.000000 0.000000 
1 1 1 0  34 2  f 157.1614 6.704274 248.4796   20.99029 248.4796   20.99029 248.4796   20.99029 157.1614 6.704274 157.1614 6.704274 -0.000000 0.000000 
1 1 1 0  34 3  o 260.7588 8.285644 682.4679   43.11518 682.4679   43.11518 682.4679   43.11518 260.7588 8.285644 260.7588 8.285644 -0.000000 0.000000 
1 1 1 0  34 4  o 1177.709 47.66503 14210.99   1118.725 14210.99   1118.725 14210.99   1118.725 1177.709 47.66503 1177.709 47.66503 -0.000000 0.000000 
1 1 1 0  34 5  o 120.0404 7.382946 145.7974   17.58645 145.7974   17.58645 145.7974   17.58645 120.0404 7.382946 120.0404 7.382946 -0.000000 0.000000 
1 1 1 0  34 6  o 14.29930 10.21442 -14.74993  11.91340 -14.74993  11.91340 -14.74993  11.91340 14.29930 10.21442 14.29930 10.21442 -0.000000 0.000000 
1 1 1 0  34 7  o 286.4727 9.628349 824.2941   55.02858 824.2941   55.02858 824.2941   55.02858 286.4727 9.628349 286.4727 9.628349 -0.000000 0.000000 
1 1 1 0  34 8  o 122.4861 7.942085 152.0377   19.28837 152.0377   19.28837 152.0377   19.28837 122.4861 7.942085 122.4861 7.942085 -0.000000 0.000000 
1 1 1 0  34 9  o 913.5893 33.00509 8514.113   601.3433 8514.113   601.3433 8514.113   601.3433 913.5893 33.00509 913.5893 33.00509 -0.000000 0.000000 
1 1 1 0  34 10 o 591.3410 21.69714 3541.685   255.8545 3541.685   255.8545 3541.685   255.8545 591.3410 21.69714 591.3410 21.69714 -0.000000 0.000000 
1 1 1 0  34 11 o 598.4156 18.90693 3620.540   225.7874 3620.540   225.7874 3620.540   225.7874 598.4156 18.90693 598.4156 18.90693 -0.000000 0.000000 
1 1 1 0  34 12 o 595.6047 21.97239 3609.194   260.9603 3609.194   260.9603 3609.194   260.9603 595.6047 21.97239 595.6047 21.97239 -0.000000 0.000000 
1 1 1 0  34 13 o 141.2994 9.523000 203.0952   26.66333 203.0952   26.66333 203.0952   26.66333 141.2994 9.523000 141.2994 9.523000 -0.000000 0.000000 
1 1 1 0  34 14 o 324.1757 13.61433 1068.235   87.93227 1068.235   87.93227 1068.235   87.93227 324.1757 13.61433 324.1757 13.61433 -0.000000 0.000000 
1 1 1 0  34 15 o 251.4276 9.733963 639.9200   48.78823 639.9200   48.78823 639.9200   48.78823 251.4276 9.733963 251.4276 9.733963 -0.000000 0.000000 
1 1 1 0  34 16 o 53.19180 19.23757 38.57674   18.72106 38.57674   18.72106 38.57674   18.72106 53.19180 19.23757 53.19180 19.23757 -0.000000 0.000000 
1 1 1 0  34 17 o 17.11058 12.30850 -23.82681  18.15376 -23.82681  18.15376 -23.82681  18.15376 17.11058 12.30850 17.11058 12.30850 -0.000000 0.000000 
1 1 1 0  35 1  o 475.7526 13.79826 2273.758   131.0475 2273.758   131.0475 2273.758   131.0475 475.7526 13.79826 475.7526 13.79826 -0.000000 0.000000 
1 1 1 0  35 2  o 619.9940 25.39245 3887.174   313.7196 3887.174   313.7196 3887.174   313.7196 619.9940 25.39245 619.9940 25.39245 -0.000000 0.000000 
1 1 1 0  35 3  o 332.4306 10.00320 1109.081   66.37468 1109.081   66.37468 1109.081   66.37468 332.4306 10.00320 332.4306 10.00320 -0.000000 0.000000 
1 1 1 0  35 4  o 1144.715 46.52863 13409.39   1061.428 13409.39   1061.428 13409.39   1061.428 1144.715 46.52863 1144.715 46.52863 -0.000000 0.000000 
1 1 1 0  35 5  o 1126.138 45.95772 13029.86   1031.360 13029.86   1031.360 13029.86   1031.360 1126.138 45.95772 1126.138 45.95772 -0.000000 0.000000 
1 1 1 0  35 6  o 227.3766 10.40095 520.7859   47.08631 520.7859   47.08631 520.7859   47.08631 227.3766 10.40095 227.3766 10.40095 -0.000000 0.000000 
1 1 1 0  35 7  o 222.4555 9.472807 498.0938   41.98057 498.0938   41.98057 498.0938   41.98057 222.4555 9.472807 222.4555 9.472807 -0.000000 0.000000 
1 1 1 0  35 8  o 99.04449 9.617497 100.9803   18.72106 100.9803   18.72106 100.9803   18.72106 99.04449 9.617497 99.04449 9.617497 -0.000000 0.000000 
1 1 1 0  35 9  o 129.9232 8.815338 171.3261   22.69220 171.3261   22.69220 171.3261   22.69220 129.9232 8.815338 129.9232 8.815338 -0.000000 0.000000 
1 1 1 0  35 10 o 354.3342 11.79636 1262.821   83.39383 1262.821   83.39383 1262.821   83.39383 354.3342 11.79636 354.3342 11.79636 -0.000000 0.000000 
1 1 1 0  35 11 o 156.0382 8.783940 246.2104   27.23064 246.2104   27.23064 246.2104   27.23064 156.0382 8.783940 156.0382 8.783940 -0.000000 0.000000 
1 1 1 0  35 12 o 283.7975 10.22377 811.2461   57.86510 811.2461   57.86510 811.2461   57.86510 283.7975 10.22377 283.7975 10.22377 -0.000000 0.000000 
1 1 1 0  35 13 o 51.18932 20.58581 36.87482   20.42298 36.87482   20.42298 36.87482   20.42298 51.18932 20.58581 51.18932 20.58581 -0.000000 0.000000 
1 1 1 0  35 14 o 391.2917 13.15352 1553.281   102.6822 1553.281   102.6822 1553.281   102.6822 391.2917 13.15352 391.2917 13.15352 -0.000000 0.000000 
1 1 1 0  35 15 o 124.5962 9.912086 159.4127   24.39412 159.4127   24.39412 159.4127   24.39412 124.5962 9.912086 124.5962 9.912086 -0.000000 0.000000 
1 1 1 0  35 16 o 34.24755 19.79699 16.45185   21.55759 16.45185   21.55759 16.45185   21.55759 34.24755 19.79699 34.24755 19.79699 -0.000000 0.000000 
1 1 1 0  35 17 o 131.7091 9.577309 178.7011   24.96142 178.7011   24.96142 178.7011   24.96142 131.7091 9.577309 131.7091 9.577309 -0.000000 0.000000 
1 1 1 0  36 0  o 550.6249 22.59427 3054.370   247.9123 3054.370   247.9123 3054.370   247.9123 550.6249 22.59427 550.6249 22.59427 0.000000  0.000000 
1 1 1 0  36 1  o 556.3818 15.98638 3110.533   177.5665 3110.533   177.5665 3110.533   177.5665 556.3818 15.98638 556.3818 15.98638 -0.000000 0.000000 
1 1 1 0  36 2  o 546.4040 15.65406 2999.342   170.7588 2999.342   170.7588 2999.342   170.7588 546.4040 15.65406 546.4040 15.65406 -0.000000 0.000000 
1 1 1 0  36 3  o 971.0817 39.31015 9598.801   760.7560 9598.801   760.7560 9598.801   760.7560 971.0817 39.31015 971.0817 39.31015 -0.000000 0.000000 
1 1 1 0  36 4  f 302.7913 13.16877 923.5726   79.42269 923.5726   79.42269 923.5726   79.42269 302.7913 13.16877 302.7913 13.16877 -0.000000 0.000000 
1 1 1 0  36 5  o 826.6119 33.50788 6948.352   551.9877 6948.352   551.9877 6948.352   551.9877 826.6119 33.50788 826.6119 33.50788 -0.000000 0.000000 
1 1 1 0  36 6  o 180.2349 7.583218 326.7676   27.23064 326.7676   27.23064 326.7676   27.23064 180.2349 7.583218 180.2349 7.583218 -0.000000 0.000000 
1 1 1 0  36 7  o 1451.433 66.61002 22376.21   1924.866 22376.21   1924.866 22376.21   1924.866 1451.433 66.61002 1451.433 66.61002 -0.000000 0.000000 
1 1 1 0  36 8  o 51.91843 18.58630 35.74022   17.58645 35.74022   17.58645 35.74022   17.58645 51.91843 18.58630 51.91843 18.58630 -0.000000 0.000000 
1 1 1 0  36 9  o 598.8505 21.94749 3631.319   262.0949 3631.319   262.0949 3631.319   262.0949 598.8505 21.94749 598.8505 21.94749 -0.000000 0.000000 
1 1 1 0  36 10 o 474.7928 15.32915 2270.922   145.2301 2270.922   145.2301 2270.922   145.2301 474.7928 15.32915 474.7928 15.32915 -0.000000 0.000000 
1 1 1 0  36 11 o 99.38736 11.08412 102.6822   21.55759 102.6822   21.55759 102.6822   21.55759 99.38736 11.08412 99.38736 11.08412 -0.000000 0.000000 
1 1 1 0  36 12 o 113.1498 9.400986 131.0475   20.99029 131.0475   20.99029 131.0475   20.99029 113.1498 9.400986 113.1498 9.400986 -0.000000 0.000000 
1 1 1 0  36 13 o 142.0341 8.858169 204.7971   24.96142 204.7971   24.96142 204.7971   24.96142 142.0341 8.858169 142.0341 8.858169 -0.000000 0.000000 
1 1 1 0  36 14 o 133.5104 8.788526 181.5376   23.25950 181.5376   23.25950 181.5376   23.25950 133.5104 8.788526 133.5104 8.788526 -0.000000 0.000000 
1 1 1 0  36 15 f 189.9832 9.001442 365.9117   34.03830 365.9117   34.03830 365.9117   34.03830 189.9832 9.001442 189.9832 9.001442 -0.000000 0.000000 
1 1 1 0  36 16 o 66.17842 15.82209 51.62476   18.15376 51.62476   18.15376 51.62476   18.15376 66.17842 15.82209 66.17842 15.82209 -0.000000 0.000000 
1 1 1 0  36 17 o 264.1836 11.86203 717.6408   62.40355 717.6408   62.40355 717.6408   62.40355 264.1836 11.86203 264.1836 11.86203 -0.000000 0.000000 
1 1 1 0  37 1  o 328.7580 9.942235 1084.687   65.24007 1084.687   65.24007 1084.687   65.24007 328.7580 9.942235 328.7580 9.942235 -0.000000 0.000000 
1 1 1 0  37 2  o 141.8619 7.644869 203.0952   21.55759 203.0952   21.55759 203.0952   21.55759 141.8619 7.644869 141.8619 7.644869 -0.000000 0.000000 
1 1 1 0  37 3  o 19.42832 13.34099 -9.076880  15.88454 -9.076880  15.88454 -9.076880  15.88454 19.42832 13.34099 19.42832 13.34099 -0.000000 0.000000 
1 1 1 0  37 4  o 784.8300 31.95578 6259.075   499.7957 6259.075   499.7957 6259.075   499.7957 784.8300 31.95578 784.8300 31.95578 -0.000000 0.000000 
1 1 1 0  37 5  o 375.3911 15.70068 1419.964   117.4321 1419.964   117.4321 1419.964   117.4321 375.3911 15.70068 375.3911 15.70068 -0.000000 0.000000 
1 1 1 0  37 6  o 152.3111 7.298855 233.7296   22.12490 233.7296   22.12490 233.7296   22.12490 152.3111 7.298855 152.3111 7.298855 -0.000000 0.000000 
1 1 1 0  37 7  o 170.2846 8.033875 292.1620   27.23064 292.1620   27.23064 292.1620   27.23064 170.2846 8.033875 170.2846 8.033875 -0.000000 0.000000 
1 1 1 0  37 8  o 74.82481 13.30725 60.70163   18.15376 60.70163   18.15376 60.70163   18.15376 74.82481 13.30725 74.82481 13.30725 -0.000000 0.000000 
1 1 1 0  37 9  o 673.5761 24.62276 4607.083   330.7388 4607.083   330.7388 4607.083   330.7388 673.5761 24.62276 673.5761 24.62276 -0.000000 0.000000 
1 1 1 0  37 10 f 305.7003 10.60575 940.0243   64.67276 940.0243   64.67276 940.0243   64.67276 305.7003 10.60575 305.7003 10.60575 -0.000000 0.000000 
1 1 1 0  37 11 o 473.3557 15.37611 2261.845   145.2301 2261.845   145.2301 2261.845   145.2301 473.3557 15.37611 473.3557 15.37611 -0.000000 0.000000 
1 1 1 0  37 12 o 41.80433 20.10286 26.09603   19.28837 26.09603   19.28837 26.09603   19.28837 41.80433 20.10286 41.80433 20.10286 -0.000000 0.000000 
1 1 1 0  37 13 o 73.12181 14.89774 60.13433   19.28837 60.13433   19.28837 60.13433   19.28837 73.12181 14.89774 73.12181 14.89774 -0.000000 0.000000 
1 1 1 0  37 14 o 272.5111 10.33714 751.6791   56.16319 751.6791   56.16319 751.6791   56.16319 272.5111 10.33714 272.5111 10.33714 -0.000000 0.000000 
1 1 1 0  37 15 o 101.8902 11.97141 109.4899   23.82681 109.4899   23.82681 109.4899   23.82681 101.8902 11.97141 101.8902 11.97141 -0.000000 0.000000 
1 1 1 0  37 16 o 246.3552 12.03575 622.9009   58.99971 622.9009   58.99971 622.9009   58.99971 246.3552 12.03575 246.3552 12.03575 -0.000000 0.000000 
1 1 1 0  37 17 o 43.03920 20.42922 28.93255   19.85567 28.93255   19.85567 28.93255   19.85567 43.03920 20.42922 43.03920 20.42922 -0.000000 0.000000 
1 1 1 0  38 0  f 310.9737 13.73987 973.4954   85.09574 973.4954   85.09574 973.4954   85.09574 310.9737 13.73987 310.9737 13.73987 0.000000  0.000000 
1 1 1 0  38 1  o 197.1204 7.216004 390.3058   28.36525 390.3058   28.36525 390.3058   28.36525 197.1204 7.216004 197.1204 7.216004 -0.000000 0.000000 
1 1 1 0  38 2  o 241.6212 7.883930 586.0261   38.00943 586.0261   38.00943 586.0261   38.00943 241.6212 7.883930 241.6212 7.883930 -0.000000 0.000000 
1 1 1 0  38 3  o 90.81694 10.21788 85.66305   18.15376 85.66305   18.15376 85.66305   18.15376 90.81694 10.21788 90.81694 10.21788 -0.000000 0.000000 
1 1 1 0  38 4  o 605.0920 17.23495 3681.242   208.2009 3681.242   208.2009 3681.242   208.2009 605.0920 17.23495 605.0920 17.23495 -0.000000 0.000000 
1 1 1 0  38 5  o 389.1814 17.86452 1529.454   138.4224 1529.454   138.4224 1529.454   138.4224 389.1814 17.86452 389.1814 17.86452 -0.000000 0.000000 
1 1 1 0  38 6  o 336.2004 16.28049 1141.985   108.9226 1141.985   108.9226 1141.985   108.9226 336.2004 16.28049 336.2004 16.28049 -0.000000 0.000000 
1 1 1 0  38 7  o 201.6075 9.328700 409.5942   37.44213 409.5942   37.44213 409.5942   37.44213 201.6075 9.328700 201.6075 9.328700 -0.000000 0.000000 
1 1 1 0  38 8  o 489.3294 21.83129 2426.931   212.7394 2426.931   212.7394 2426.931   212.7394 489.3294 21.83129 489.3294 21.83129 -0.000000 0.000000 
1 1 1 0  38 9  o 254.2594 10.07476 650.6988   51.05745 650.6988   51.05745 650.6988   51.05745 254.2594 10.07476 254.2594 10.07476 -0.000000 0.000000 
1 1 1 0  38 10 o 182.1302 8.922903 334.7099   32.33638 334.7099   32.33638 334.7099   32.33638 182.1302 8.922903 182.1302 8.922903 -0.000000 0.000000 
1 1 1 0  38 11 o 342.0868 13.56195 1181.696   92.47070 1181.696   92.47070 1181.696   92.47070 342.0868 13.56195 342.0868 13.56195 -0.000000 0.000000 
1 1 1 0  38 12 o 481.4213 15.70940 2346.941   150.9031 2346.941   150.9031 2346.941   150.9031 481.4213 15.70940 481.4213 15.70940 -0.000000 0.000000 
1 1 1 0  38 13 o 117.7040 9.270425 141.8262   21.55759 141.8262   21.55759 141.8262   21.55759 117.7040 9.270425 117.7040 9.270425 -0.000000 0.000000 
1 1 1 0  38 14 o 16.71900 12.11904 -33.47099  19.85567 -33.47099  19.85567 -33.47099  19.85567 16.71900 12.11904 16.71900 12.11904 -0.000000 0.000000 
1 1 1 0  38 15 o 151.6969 9.233151 234.8643   27.79794 234.8643   27.79794 234.8643   27.79794 151.6969 9.233151 151.6969 9.233151 -0.000000 0.000000 
1 1 1 0  38 16 o 157.7716 9.051584 254.1526   28.36525 254.1526   28.36525 254.1526   28.36525 157.7716 9.051584 157.7716 9.051584 -0.000000 0.000000 
1 1 1 0  38 17 o 104.3428 11.95794 115.7302   24.39412 115.7302   24.39412 115.7302   24.39412 104.3428 11.95794 104.3428 11.95794 -0.000000 0.000000 
1 1 1 0  39 1  o 157.7572 7.589229 250.7488   23.82681 250.7488   23.82681 250.7488   23.82681 157.7572 7.589229 157.7572 7.589229 -0.000000 0.000000 
1 1 1 0  39 2  o 327.3407 9.898451 1075.610   64.67276 1075.610   64.67276 1075.610   64.67276 327.3407 9.898451 327.3407 9.898451 -0.000000 0.000000 
1 1 1 0  39 3  o 294.7346 9.162280 871.9477   53.89397 871.9477   53.89397 871.9477   53.89397 294.7346 9.162280 294.7346 9.162280 -0.000000 0.000000 
1 1 1 0  39 4  f 117.2883 9.054631 140.1243   20.99029 140.1243   20.99029 140.1243   20.99029 117.2883 9.054631 117.2883 9.054631 -0.000000 0.000000 
1 1 1 0  39 5  o 544.9104 24.15143 3007.851   262.0949 3007.851   262.0949 3007.851   262.0949 544.9104 24.15143 544.9104 24.15143 -0.000000 0.000000 
1 1 1 0  39 6  o 431.1239 19.62806 1880.049   168.4896 1880.049   168.4896 1880.049   168.4896 431.1239 19.62806 431.1239 19.62806 -0.000000 0.000000 
1 1 1 0  39 7  o 138.5228 9.089849 194.5856   24.96142 194.5856   24.96142 194.5856   24.96142 138.5228 9.089849 138.5228 9.089849 -0.000000 0.000000 
1 1 1 0  39 8  o 49.34500 20.71132 34.60560   20.42298 34.60560   20.42298 34.60560   20.42298 49.34500 20.71132 49.34500 20.71132 -0.000000 0.000000 
1 1 1 0  39 9  o 246.6456 10.97209 613.2567   53.89397 613.2567   53.89397 613.2567   53.89397 246.6456 10.97209 246.6456 10.97209 -0.000000 0.000000 
1 1 1 0  39 10 o 347.3765 14.17757 1218.004   98.14376 1218.004   98.14376 1218.004   98.14376 347.3765 14.17757 347.3765 14.17757 -0.000000 0.000000 
1 1 1 0  39 11 o 287.8690 10.07762 834.5057   57.86510 834.5057   57.86510 834.5057   57.86510 287.8690 10.07762 287.8690 10.07762 -0.000000 0.000000 
1 1 1 0  39 12 o 42.48118 21.36303 27.23064   22.12490 27.23064   22.12490 27.23064   22.12490 42.48118 21.36303 42.48118 21.36303 -0.000000 0.000000 
1 1 1 0  39 13 o 282.6039 10.46992 807.2750   58.99971 807.2750   58.99971 807.2750   58.99971 282.6039 10.46992 282.6039 10.46992 -0.000000 0.000000 
1 1 1 0  39 14 o 172.7595 9.083484 302.9409   31.20177 302.9409   31.20177 302.9409   31.20177 172.7595 9.083484 172.7595 9.083484 -0.000000 0.000000 
1 1 1 0  39 15 o 62.82864 18.22831 49.35553   19.85567 49.35553   19.85567 49.35553   19.85567 62.82864 18.22831 62.82864 18.22831 -0.000000 0.000000 
1 1 1 0  39 16 o 77.59386 15.66357 68.64390   21.55759 68.64390   21.55759 68.64390   21.55759 77.59386 15.66357 77.59386 15.66357 -0.000000 0.000000 
1 1 1 0  40 0  o 463.8009 19.27570 2166.538   178.1338 2166.538   178.1338 2166.538   178.1338 463.8009 19.27570 463.8009 19.27570 0.000000  0.000000 
1 1 1 0  40 1  o 146.5122 7.987688 216.7105   23.25950 216.7105   23.25950 216.7105   23.25950 146.5122 7.987688 146.5122 7.987688 -0.000000 0.000000 
1 1 1 0  40 2  o 147.2243 8.340702 218.9797   24.39412 218.9797   24.39412 218.9797   24.39412 147.2243 8.340702 147.2243 8.340702 -0.000000 0.000000 
1 1 1 0  40 3  o 215.1422 8.200270 465.1901   35.17290 465.1901   35.17290 465.1901   35.17290 215.1422 8.200270 215.1422 8.200270 -0.000000 0.000000 
1 1 1 0  40 4  o 585.7817 18.24596 3454.887   213.3067 3454.887   213.3067 3454.887   213.3067 585.7817 18.24596 585.7817 18.24596 -0.000000 0.000000 
1 1 1 0  40 5  o 423.6282 19.03162 1813.674   160.5473 1813.674   160.5473 1813.674   160.5473 423.6282 19.03162 423.6282 19.03162 -0.000000 0.000000 
1 1 1 0  40 6  f 145.6323 8.434260 214.4413   24.39412 214.4413   24.39412 214.4413   24.39412 145.6323 8.434260 145.6323 8.434260 -0.000000 0.000000 
1 1 1 0  40 7  o 161.7433 13.51036 267.7679   43.11518 267.7679   43.11518 267.7679   43.11518 161.7433 13.51036 161.7433 13.51036 -0.000000 0.000000 
1 1 1 0  40 8  o 541.7133 19.90385 2968.140   215.0086 2968.140   215.0086 2968.140   215.0086 541.7133 19.90385 541.7133 19.90385 -0.000000 0.000000 
1 1 1 0  40 9  o 97.23257 9.807650 97.57646   18.72106 97.57646   18.72106 97.57646   18.72106 97.23257 9.807650 97.23257 9.807650 -0.000000 0.000000 
1 1 1 0  40 10 o 41.33142 20.80430 25.52872   20.99029 25.52872   20.99029 25.52872   20.99029 41.33142 20.80430 41.33142 20.80430 -0.000000 0.000000 
1 1 1 0  40 11 o 212.3066 8.986315 454.4113   38.00943 454.4113   38.00943 454.4113   38.00943 212.3066 8.986315 212.3066 8.986315 -0.000000 0.000000 
1 1 1 0  40 12 o 77.98383 12.93403 65.24007   18.72106 65.24007   18.72106 65.24007   18.72106 77.98383 12.93403 77.98383 12.93403 -0.000000 0.000000 
1 1 1 0  40 13 o 157.3054 9.079111 251.3161   28.36525 251.3161   28.36525 251.3161   28.36525 157.3054 9.079111 157.3054 9.079111 -0.000000 0.000000 
1 1 1 0  40 14 f 459.6878 17.64259 2177.316   161.6819 2177.316   161.6819 2177.316   161.6819 459.6878 17.64259 459.6878 17.64259 -0.000000 0.000000 
1 1 1 0  40 15 o 52.13255 20.85281 39.14404   20.99029 39.14404   20.99029 39.14404   20.99029 52.13255 20.85281 52.13255 20.85281 -0.000000 0.000000 
1 1 1 0  40 16 o 15.86915 11.64898 -40.84595  20.42298 -40.84595  20.42298 -40.84595  20.42298 15.86915 11.64898 15.86915 11.64898 -0.000000 0.000000 
1 1 1 0  41 1  o 161.9356 8.100628 264.3641   26.09603 264.3641   26.09603 264.3641   26.09603 161.9356 8.100628 161.9356 8.100628 -0.000000 0.000000 
1 1 1 0  41 2  o 442.7704 13.09413 1969.116   115.7302 1969.116   115.7302 1969.116   115.7302 442.7704 13.09413 442.7704 13.09413 -0.000000 0.000000 
1 1 1 0  41 3  o 29.43857 18.02843 7.942269   19.85567 7.942269   19.85567 7.942269   19.85567 29.43857 18.02843 29.43857 18.02843 -0.000000 0.000000 
1 1 1 0  41 4  f 288.2959 9.864230 835.0729   56.73050 835.0729   56.73050 835.0729   56.73050 288.2959 9.864230 288.2959 9.864230 -0.000000 0.000000 
1 1 1 0  41 5  f 599.2458 26.52470 3648.338   316.5562 3648.338   316.5562 3648.338   316.5562 599.2458 26.52470 599.2458 26.52470 -0.000000 0.000000 
1 1 1 0  41 6  o 247.3340 11.87084 617.2278   58.43241 617.2278   58.43241 617.2278   58.43241 247.3340 11.87084 247.3340 11.87084 -0.000000 0.000000 
1 1 1 0  41 7  o 307.1486 12.13905 950.2358   74.31695 950.2358   74.31695 950.2358   74.31695 307.1486 12.13905 307.1486 12.13905 -0.000000 0.000000 
1 1 1 0  41 8  o 463.6617 21.88313 2182.422   201.9606 2182.422   201.9606 2182.422   201.9606 463.6617 21.88313 463.6617 21.88313 -0.000000 0.000000 
1 1 1 0  41 9  o 168.3822 9.840563 287.0563   32.90369 287.0563   32.90369 287.0563   32.90369 168.3822 9.840563 168.3822 9.840563 -0.000000 0.000000 
1 1 1 0  41 10 o 577.9598 21.51215 3396.455   247.9123 3396.455   247.9123 3396.455   247.9123 577.9598 21.51215 577.9598 21.51215 -0.000000 0.000000 
1 1 1 0  41 11 o 87.05827 12.92424 79.42269   21.55759 79.42269   21.55759 79.42269   21.55759 87.05827 12.92424 87.05827 12.92424 -0.000000 0.000000 
1 1 1 0  41 12 o 127.6908 8.974996 166.2204   22.69220 166.2204   22.69220 166.2204   22.69220 127.6908 8.974996 127.6908 8.974996 -0.000000 0.000000 
1 1 1 0  41 13 f 111.6498 10.32749 128.7782   22.69220 128.7782   22.69220 128.7782   22.69220 111.6498 10.32749 111.6498 10.32749 -0.000000 0.000000 
1 1 1 0  41 14 o 231.5711 9.589837 543.4781   44.24979 543.4781   44.24979 543.4781   44.24979 231.5711 9.589837 231.5711 9.589837 -0.000000 0.000000 
1 1 1 0  41 15 o 200.1418 9.254580 407.3250   36.87482 407.3250   36.87482 407.3250   36.87482 200.1418 9.254580 200.1418 9.254580 -0.000000 0.000000 
1 1 1 0  41 16 o 182.1826 9.078356 338.6811   32.90369 338.6811   32.90369 338.6811   32.90369 182.1826 9.078356 182.1826 9.078356 -0.000000 0.000000 
1 1 1 0  42 0  o 38.29171 22.32544 18.15376   27.79794 18.15376   27.79794 18.15376   27.79794 38.29171 22.32544 38.29171 22.32544 0.000000  0.000000 
1 1 1 0  42 1  f 357.1563 11.54234 1281.542   82.25922 1281.542   82.25922 1281.542   82.25922 357.1563 11.54234 357.1563 11.54234 -0.000000 0.000000 
1 1 1 0  42 2  o 346.1271 12.98800 1205.523   89.63419 1205.523   89.63419 1205.523   89.63419 346.1271 12.98800 346.1271 12.98800 -0.000000 0.000000 
1 1 1 0  42 3  o 119.3529 9.382566 145.2301   22.12490 145.2301   22.12490 145.2301   22.12490 119.3529 9.382566 119.3529 9.382566 -0.000000 0.000000 
1 1 1 0  42 4  o 598.5074 18.52244 3609.194   221.2489 3609.194   221.2489 3609.194   221.2489 598.5074 18.52244 598.5074 18.52244 -0.000000 0.000000 
1 1 1 0  42 5  o 47.32884 19.82544 31.76908   18.72106 31.76908   18.72106 31.76908   18.72106 47.32884 19.82544 47.32884 19.82544 -0.000000 0.000000 
1 1 1 0  42 6  o 81.03433 12.07023 68.64390   18.72106 68.64390   18.72106 68.64390   18.72106 81.03433 12.07023 81.03433 12.07023 -0.000000 0.000000 
1 1 1 0  42 7  o 28.50616 17.61421 6.807660   19.28837 6.807660   19.28837 6.807660   19.28837 28.50616 17.61421 28.50616 17.61421 -0.000000 0.000000 
1 1 1 0  42 8  f 473.4768 21.72503 2275.460   204.7971 2275.460   204.7971 2275.460   204.7971 473.4768 21.72503 473.4768 21.72503 -0.000000 0.000000 
1 1 1 0  42 9  o 153.8148 11.37307 241.1046   34.60560 241.1046   34.60560 241.1046   34.60560 153.8148 11.37307 153.8148 11.37307 -0.000000 0.000000 
1 1 1 0  42 10 f 198.7803 9.319109 398.8154   36.87482 398.8154   36.87482 398.8154   36.87482 198.7803 9.319109 198.7803 9.319109 -0.000000 0.000000 
1 1 1 0  42 11 o 18.19680 12.95540 -21.55759  18.72106 -21.55759  18.72106 -21.55759  18.72106 18.19680 12.95540 18.19680 12.95540 -0.000000 0.000000 
1 1 1 0  42 12 o 254.2967 9.510214 652.9680   48.22092 652.9680   48.22092 652.9680   48.22092 254.2967 9.510214 254.2967 9.510214 -0.000000 0.000000 
1 1 1 0  42 13 o 228.2443 12.25348 531.5648   55.59589 531.5648   55.59589 531.5648   55.59589 228.2443 12.25348 228.2443 12.25348 -0.000000 0.000000 
1 1 1 0  42 14 o 275.3535 10.43705 770.4002   57.29780 770.4002   57.29780 770.4002   57.29780 275.3535 10.43705 275.3535 10.43705 -0.000000 0.000000 
1 1 1 0  42 15 o 126.8484 10.19114 166.2204   25.52872 166.2204   25.52872 166.2204   25.52872 126.8484 10.19114 126.8484 10.19114 -0.000000 0.000000 
1 1 1 0  42 16 o 18.16074 13.15411 -37.44213  23.25950 -37.44213  23.25950 -37.44213  23.25950 18.16074 13.15411 18.16074 13.15411 -0.000000 0.000000 
1 1 1 0  43 1  o 265.7410 9.526626 709.6985   50.49014 709.6985   50.49014 709.6985   50.49014 265.7410 9.526626 265.7410 9.526626 -0.000000 0.000000 
1 1 1 0  43 2  o 456.8470 14.56138 2099.028   132.7494 2099.028   132.7494 2099.028   132.7494 456.8470 14.56138 456.8470 14.56138 -0.000000 0.000000 
1 1 1 0  43 3  o 79.63024 12.99259 67.50929   19.28837 67.50929   19.28837 67.50929   19.28837 79.63024 12.99259 79.63024 12.99259 -0.000000 0.000000 
1 1 1 0  43 4  o 284.1536 9.506577 811.2461   53.89397 811.2461   53.89397 811.2461   53.89397 284.1536 9.506577 284.1536 9.506577 -0.000000 0.000000 
1 1 1 0  43 5  o 170.2801 8.034091 292.1620   27.23064 292.1620   27.23064 292.1620   27.23064 170.2801 8.034091 170.2801 8.034091 -0.000000 0.000000 
1 1 1 0  43 6  o 120.7526 10.24258 149.2012   24.39412 149.2012   24.39412 149.2012   24.39412 120.7526 10.24258 120.7526 10.24258 -0.000000 0.000000 
1 1 1 0  43 7  o 167.9143 9.007776 284.7871   30.06716 284.7871   30.06716 284.7871   30.06716 167.9143 9.007776 167.9143 9.007776 -0.000000 0.000000 
1 1 1 0  43 8  o 313.9468 12.69405 993.9183   79.42269 993.9183   79.42269 993.9183   79.42269 313.9468 12.69405 313.9468 12.69405 -0.000000 0.000000 
1 1 1 0  43 9  o 292.5132 10.30689 861.1690   60.13433 861.1690   60.13433 861.1690   60.13433 292.5132 10.30689 292.5132 10.30689 -0.000000 0.000000 
1 1 1 0  43 10 o 222.3152 11.41938 500.3629   50.49014 500.3629   50.49014 500.3629   50.49014 222.3152 11.41938 222.3152 11.41938 -0.000000 0.000000 
1 1 1 0  43 11 o 442.0811 14.53533 1978.760   128.2109 1978.760   128.2109 1978.760   128.2109 442.0811 14.53533 442.0811 14.53533 -0.000000 0.000000 
1 1 1 0  43 12 o 387.6130 15.42062 1531.723   119.1340 1531.723   119.1340 1531.723   119.1340 387.6130 15.42062 387.6130 15.42062 -0.000000 0.000000 
1 1 1 0  43 13 o 95.13503 13.05805 94.17262   24.39412 94.17262   24.39412 94.17262   24.39412 95.13503 13.05805 95.13503 13.05805 -0.000000 0.000000 
1 1 1 0  43 14 o 258.6200 12.56671 685.3044   64.67276 685.3044   64.67276 685.3044   64.67276 258.6200 12.56671 258.6200 12.56671 -0.000000 0.000000 
1 1 1 0  43 15 o 175.4671 9.433498 314.2870   32.90369 314.2870   32.90369 314.2870   32.90369 175.4671 9.433498 175.4671 9.433498 -0.000000 0.000000 
1 1 1 0  43 16 o 52.60999 21.47423 40.84595   22.12490 40.84595   22.12490 40.84595   22.12490 52.60999 21.47423 52.60999 21.47423 -0.000000 0.000000 
1 1 1 0  44 0  o 213.2248 12.86803 460.0844   54.46128 460.0844   54.46128 460.0844   54.46128 213.2248 12.86803 213.2248 12.86803 0.000000  0.000000 
1 1 1 0  44 1  o 152.7916 8.786068 235.9989   26.66333 235.9989   26.66333 235.9989   26.66333 152.7916 8.786068 152.7916 8.786068 -0.000000 0.000000 
1 1 1 0  44 2  f 1421.313 44.50045 20832.57   1262.254 20832.57   1262.254 20832.57   1262.254 1421.313 44.50045 1421.313 44.50045 -0.000000 0.000000 
1 1 1 0  44 3  o 542.8314 16.96685 2968.140   183.8068 2968.140   183.8068 2968.140   183.8068 542.8314 16.96685 542.8314 16.96685 -0.000000 0.000000 
1 1 1 0  44 4  o 362.1963 12.01111 1318.984   86.79766 1318.984   86.79766 1318.984   86.79766 362.1963 12.01111 362.1963 12.01111 -0.000000 0.000000 
1 1 1 0  44 5  o 462.5501 20.88010 2167.672   192.3164 2167.672   192.3164 2167.672   192.3164 462.5501 20.88010 462.5501 20.88010 -0.000000 0.000000 
1 1 1 0  44 6  o 561.7152 25.25751 3212.081   282.5179 3212.081   282.5179 3212.081   282.5179 561.7152 25.25751 561.7152 25.25751 -0.000000 0.000000 
1 1 1 0  44 7  o 76.45506 17.95129 67.50929   23.82681 67.50929   23.82681 67.50929   23.82681 76.45506 17.95129 76.45506 17.95129 -0.000000 0.000000 
1 1 1 0  44 8  o 247.2923 9.551362 615.5258   47.08631 615.5258   47.08631 615.5258   47.08631 247.2923 9.551362 247.2923 9.551362 -0.000000 0.000000 
1 1 1 0  44 9  f 86.21326 14.13768 79.42269   22.69220 79.42269   22.69220 79.42269   22.69220 86.21326 14.13768 86.21326 14.13768 -0.000000 0.000000 
1 1 1 0  44 10 o 116.9785 10.59028 140.6916   24.39412 140.6916   24.39412 140.6916   24.39412 116.9785 10.59028 116.9785 10.59028 -0.000000 0.000000 
1 1 1 0  44 11 o 117.6801 10.27277 142.3935   23.82681 142.3935   23.82681 142.3935   23.82681 117.6801 10.27277 117.6801 10.27277 -0.000000 0.000000 
1 1 1 0  44 12 o 287.4023 10.39267 835.6403   59.56702 835.6403   59.56702 835.6403   59.56702 287.4023 10.39267 287.4023 10.39267 -0.000000 0.000000 
1 1 1 0  44 13 o 161.8291 8.997592 266.0660   28.93255 266.0660   28.93255 266.0660   28.93255 161.8291 8.997592 161.8291 8.997592 -0.000000 0.000000 
1 1 1 0  44 14 o 192.3487 9.337403 376.6905   35.74022 376.6905   35.74022 376.6905   35.74022 192.3487 9.337403 192.3487 9.337403 -0.000000 0.000000 
1 1 1 0  44 15 f 109.3244 12.19823 126.5090   26.09603 126.5090   26.09603 126.5090   26.09603 109.3244 12.19823 109.3244 12.19823 -0.000000 0.000000 
1 1 1 0  45 1  o 63.10742 19.55826 49.92284   21.55759 49.92284   21.55759 49.92284   21.55759 63.10742 19.55826 63.10742 19.55826 -0.000000 0.000000 
1 1 1 0  45 2  o 196.2017 9.297232 388.0366   36.30752 388.0366   36.30752 388.0366   36.30752 196.2017 9.297232 196.2017 9.297232 -0.000000 0.000000 
1 1 1 0  45 3  o 209.1568 8.712187 440.2286   36.30752 440.2286   36.30752 440.2286   36.30752 209.1568 8.712187 209.1568 8.712187 -0.000000 0.000000 
1 1 1 0  45 4  o 78.78735 15.31009 68.64390   21.55759 68.64390   21.55759 68.64390   21.55759 78.78735 15.31009 78.78735 15.31009 -0.000000 0.000000 
1 1 1 0  45 5  o 115.3012 9.983439 136.1532   22.69220 136.1532   22.69220 136.1532   22.69220 115.3012 9.983439 115.3012 9.983439 -0.000000 0.000000 
1 1 1 0  45 6  o 297.5766 10.61009 890.6688   62.97085 890.6688   62.97085 890.6688   62.97085 297.5766 10.61009 297.5766 10.61009 -0.000000 0.000000 
1 1 1 0  45 7  o 226.2613 9.564656 515.6802   43.11518 515.6802   43.11518 515.6802   43.11518 226.2613 9.564656 226.2613 9.564656 -0.000000 0.000000 
1 1 1 0  45 8  o 203.1116 9.116953 415.8346   36.87482 415.8346   36.87482 415.8346   36.87482 203.1116 9.116953 203.1116 9.116953 -0.000000 0.000000 
1 1 1 0  45 9  o 19.95174 13.98625 -17.58645  19.85567 -17.58645  19.85567 -17.58645  19.85567 19.95174 13.98625 19.95174 13.98625 -0.000000 0.000000 
1 1 1 0  45 10 o 140.1550 10.01972 200.2587   27.79794 200.2587   27.79794 200.2587   27.79794 140.1550 10.01972 140.1550 10.01972 -0.000000 0.000000 
1 1 1 0  45 11 o 28.77864 18.24769 4.538440   22.12490 4.538440   22.12490 4.538440   22.12490 28.77864 18.24769 28.77864 18.24769 -0.000000 0.000000 
1 1 1 0  45 12 o 368.0929 14.22524 1381.388   104.3841 1381.388   104.3841 1381.388   104.3841 368.0929 14.22524 368.0929 14.22524 -0.000000 0.000000 
1 1 1 0  45 13 o 306.0009 10.68864 949.6685   65.24007 949.6685   65.24007 949.6685   65.24007 306.0009 10.68864 306.0009 10.68864 -0.000000 0.000000 
1 1 1 0  45 14 o 143.9281 10.55870 213.3067   30.06716 213.3067   30.06716 213.3067   30.06716 143.9281 10.55870 143.9281 10.55870 -0.000000 0.000000 
1 1 1 0  45 15 o 38.25035 20.98211 22.69220   22.69220 22.69220   22.69220 22.69220   22.69220 38.25035 20.98211 38.25035 20.98211 -0.000000 0.000000 
1 1 1 0  46 0  o 429.9188 19.75088 1865.299   169.0569 1865.299   169.0569 1865.299   169.0569 429.9188 19.75088 429.9188 19.75088 0.000000  0.000000 
1 1 1 0  46 1  o 869.0544 26.98460 7655.780   468.0266 7655.780   468.0266 7655.780   468.0266 869.0544 26.98460 869.0544 26.98460 -0.000000 0.000000 
1 1 1 0  46 2  o 223.1970 9.440861 501.4976   41.98057 501.4976   41.98057 501.4976   41.98057 223.1970 9.440861 223.1970 9.440861 -0.000000 0.000000 
1 1 1 0  46 3  o 60.39150 22.00747 48.78823   24.39412 48.78823   24.39412 48.78823   24.39412 60.39150 22.00747 60.39150 22.00747 -0.000000 0.000000 
1 1 1 0  46 4  o 415.0743 13.28745 1733.684   110.0572 1733.684   110.0572 1733.684   110.0572 415.0743 13.28745 415.0743 13.28745 -0.000000 0.000000 
1 1 1 0  46 5  o 45.76064 22.30533 31.20177   23.82681 31.20177   23.82681 31.20177   23.82681 45.76064 22.30533 45.76064 22.30533 -0.000000 0.000000 
1 1 1 0  46 6  o 780.9622 34.87227 6273.259   542.3435 6273.259   542.3435 6273.259   542.3435 780.9622 34.87227 780.9622 34.87227 -0.000000 0.000000 
1 1 1 0  46 7  o 186.8488 9.155348 352.2964   34.03830 352.2964   34.03830 352.2964   34.03830 186.8488 9.155348 186.8488 9.155348 -0.000000 0.000000 
1 1 1 0  46 8  o 615.1589 22.47514 3851.434   275.7102 3851.434   275.7102 3851.434   275.7102 615.1589 22.47514 615.1589 22.47514 -0.000000 0.000000 
1 1 1 0  46 9  o 112.0497 11.34903 129.9128   24.96142 129.9128   24.96142 129.9128   24.96142 112.0497 11.34903 112.0497 11.34903 -0.000000 0.000000 
1 1 1 0  46 10 o 515.7872 19.36237 2715.121   199.1240 2715.121   199.1240 2715.121   199.1240 515.7872 19.36237 515.7872 19.36237 -0.000000 0.000000 
1 1 1 0  46 11 o 120.4772 10.26715 149.2012   24.39412 149.2012   24.39412 149.2012   24.39412 120.4772 10.26715 120.4772 10.26715 -0.000000 0.000000 
1 1 1 0  46 12 o 82.19735 15.30573 74.88425   22.69220 74.88425   22.69220 74.88425   22.69220 82.19735 15.30573 82.19735 15.30573 -0.000000 0.000000 
1 1 1 0  46 13 o 311.1215 10.87844 984.2742   67.50929 984.2742   67.50929 984.2742   67.50929 311.1215 10.87844 311.1215 10.87844 -0.000000 0.000000 
1 1 1 0  46 14 o 122.5779 13.22987 158.8454   31.76908 158.8454   31.76908 158.8454   31.76908 122.5779 13.22987 122.5779 13.22987 -0.000000 0.000000 
1 1 1 0  46 15 o 118.8849 10.90901 147.4993   25.52872 147.4993   25.52872 147.4993   25.52872 118.8849 10.90901 118.8849 10.90901 -0.000000 0.000000 
1 1 1 0  47 1  o 479.3764 15.30042 2313.469   146.3647 2313.469   146.3647 2313.469   146.3647 479.3764 15.30042 479.3764 15.30042 -0.000000 0.000000 
1 1 1 0  47 2  o 186.4382 9.175908 350.5945   34.03830 350.5945   34.03830 350.5945   34.03830 186.4382 9.175908 186.4382 9.175908 -0.000000 0.000000 
1 1 1 0  47 3  o 202.3347 9.010573 412.4307   36.30752 412.4307   36.30752 412.4307   36.30752 202.3347 9.010573 202.3347 9.010573 -0.000000 0.000000 
1 1 1 0  47 4  o 125.8510 10.04213 161.6819   24.96142 161.6819   24.96142 161.6819   24.96142 125.8510 10.04213 125.8510 10.04213 -0.000000 0.000000 
1 1 1 0  47 5  o 177.7343 11.42805 320.5273   40.27865 320.5273   40.27865 320.5273   40.27865 177.7343 11.42805 177.7343 11.42805 -0.000000 0.000000 
1 1 1 0  47 6  o 352.4602 13.72648 1253.177   96.44185 1253.177   96.44185 1253.177   96.44185 352.4602 13.72648 352.4602 13.72648 -0.000000 0.000000 
1 1 1 0  47 7  o 178.9942 8.921467 323.3638   31.76908 323.3638   31.76908 323.3638   31.76908 178.9942 8.921467 178.9942 8.921467 -0.000000 0.000000 
1 1 1 0  47 8  o 198.7227 9.611405 398.8154   38.00943 398.8154   38.00943 398.8154   38.00943 198.7227 9.611405 198.7227 9.611405 -0.000000 0.000000 
1 1 1 0  47 9  f 285.0682 10.47874 819.1884   59.56702 819.1884   59.56702 819.1884   59.56702 285.0682 10.47874 285.0682 10.47874 -0.000000 0.000000 
1 1 1 0  47 10 o 119.0416 11.14274 146.3647   26.09603 146.3647   26.09603 146.3647   26.09603 119.0416 11.14274 119.0416 11.14274 -0.000000 0.000000 
1 1 1 0  47 11 o 97.85192 13.65291 99.84568   26.09603 99.84568   26.09603 99.84568   26.09603 97.85192 13.65291 97.85192 13.65291 -0.000000 0.000000 
1 1 1 0  47 12 o 308.9586 11.51098 968.9568   70.91312 968.9568   70.91312 968.9568   70.91312 308.9586 11.51098 308.9586 11.51098 -0.000000 0.000000 
1 1 1 0  47 13 o 32.13985 22.21842 -23.82681  45.38440 -23.82681  45.38440 -23.82681  45.38440 32.13985 22.21842 32.13985 22.21842 -0.000000 0.000000 
1 1 1 0  47 14 o 89.69524 11.72958 83.39383   20.99029 83.39383   20.99029 83.39383   20.99029 89.69524 11.72958 89.69524 11.72958 -0.000000 0.000000 
1 1 1 0  47 15 o 133.2784 10.11842 183.8068   26.66333 183.8068   26.66333 183.8068   26.66333 133.2784 10.11842 133.2784 10.11842 -0.000000 0.000000 
1 1 1 0  48 0  f 139.5580 15.15061 201.9606   41.41326 201.9606   41.41326 201.9606   41.41326 139.5580 15.15061 139.5580 15.15061 0.000000  0.000000 
1 1 1 0  48 1  o 194.1255 9.398552 380.0943   36.30752 380.0943   36.30752 380.0943   36.30752 194.1255 9.398552 194.1255 9.398552 -0.000000 0.000000 
1 1 1 0  48 2  o 533.3170 16.95094 2868.294   180.4030 2868.294   180.4030 2868.294   180.4030 533.3170 16.95094 533.3170 16.95094 -0.000000 0.000000 
1 1 1 0  48 3  o 64.80264 22.38702 55.02858   26.09603 55.02858   26.09603 55.02858   26.09603 64.80264 22.38702 64.80264 22.38702 -0.000000 0.000000 
1 1 1 0  48 4  o 297.2473 11.97039 890.1014   70.91312 890.1014   70.91312 890.1014   70.91312 297.2473 11.97039 297.2473 11.97039 -0.000000 0.000000 
1 1 1 0  48 5  o 69.06166 30.59958 69.77851   44.24979 69.77851   44.24979 69.77851   44.24979 69.06166 30.59958 69.06166 30.59958 -0.000000 0.000000 
1 1 1 0  48 6  o 313.5216 11.15908 989.3799   69.77851 989.3799   69.77851 989.3799   69.77851 313.5216 11.15908 313.5216 11.15908 -0.000000 0.000000 
1 1 1 0  48 7  f 221.0979 9.791563 492.9881   43.11518 492.9881   43.11518 492.9881   43.11518 221.0979 9.791563 221.0979 9.791563 -0.000000 0.000000 
1 1 1 0  48 8  o 540.1600 17.15719 2956.226   184.9414 2956.226   184.9414 2956.226   184.9414 540.1600 17.15719 540.1600 17.15719 -0.000000 0.000000 
1 1 1 0  48 9  o 169.5574 9.088715 291.0274   30.63447 291.0274   30.63447 291.0274   30.63447 169.5574 9.088715 169.5574 9.088715 -0.000000 0.000000 
1 1 1 0  48 10 o 59.44089 21.41838 47.65361   23.25950 47.65361   23.25950 47.65361   23.25950 59.44089 21.41838 59.44089 21.41838 -0.000000 0.000000 
1 1 1 0  48 11 o 19.19602 13.71852 -26.09603  21.55759 -26.09603  21.55759 -26.09603  21.55759 19.19602 13.71852 19.19602 13.71852 -0.000000 0.000000 
1 1 1 0  48 12 o 164.6238 9.367837 275.7102   30.63447 275.7102   30.63447 275.7102   30.63447 164.6238 9.367837 164.6238 9.367837 -0.000000 0.000000 
1 1 1 0  48 13 o 192.9177 8.862079 378.3924   34.03830 378.3924   34.03830 378.3924   34.03830 192.9177 8.862079 192.9177 8.862079 -0.000000 0.000000 
1 1 1 0  48 14 o 108.2560 11.22071 123.1052   23.82681 123.1052   23.82681 123.1052   23.82681 108.2560 11.22071 108.2560 11.22071 -0.000000 0.000000 
1 1 1 0  48 15 o 65.61623 24.94320 62.40355   30.63447 62.40355   30.63447 62.40355   30.63447 65.61623 24.94320 65.61623 24.94320 -0.000000 0.000000 
1 1 1 0  49 1  o 302.8148 10.80231 922.4379   65.24007 922.4379   65.24007 922.4379   65.24007 302.8148 10.80231 302.8148 10.80231 -0.000000 0.000000 
1 1 1 0  49 2  o 1030.616 32.10487 10849.71   660.3430 10849.71   660.3430 10849.71   660.3430 1030.616 32.10487 1030.616 32.10487 -0.000000 0.000000 
1 1 1 0  49 3  o 26.46513 17.81975 -9.076880  26.09603 -9.076880  26.09603 -9.076880  26.09603 26.46513 17.81975 26.46513 17.81975 -0.000000 0.000000 
1 1 1 0  49 4  o 1027.832 32.10923 10811.70   658.6411 10811.70   658.6411 10811.70   658.6411 1027.832 32.10923 1027.832 32.10923 -0.000000 0.000000 
1 1 1 0  49 5  o 137.3663 11.08494 192.8837   30.06716 192.8837   30.06716 192.8837   30.06716 137.3663 11.08494 137.3663 11.08494 -0.000000 0.000000 
1 1 1 0  49 6  o 501.7304 16.03536 2541.526   160.5473 2541.526   160.5473 2541.526   160.5473 501.7304 16.03536 501.7304 16.03536 -0.000000 0.000000 
1 1 1 0  49 7  o 106.7949 11.66451 118.5667   24.39412 118.5667   24.39412 118.5667   24.39412 106.7949 11.66451 106.7949 11.66451 -0.000000 0.000000 
1 1 1 0  49 8  o 24.45245 16.82417 -14.74993  25.52872 -14.74993  25.52872 -14.74993  25.52872 24.45245 16.82417 24.45245 16.82417 -0.000000 0.000000 
1 1 1 0  49 9  o 229.9623 9.533194 533.8340   43.68248 533.8340   43.68248 533.8340   43.68248 229.9623 9.533194 229.9623 9.533194 -0.000000 0.000000 
1 1 1 0  49 10 o 200.0162 8.973144 404.4884   35.74022 404.4884   35.74022 404.4884   35.74022 200.0162 8.973144 200.0162 8.973144 -0.000000 0.000000 
1 1 1 0  49 11 o 37.48682 20.28917 20.99029   20.99029 20.99029   20.99029 20.99029   20.99029 37.48682 20.28917 37.48682 20.28917 -0.000000 0.000000 
1 1 1 0  49 12 o 147.3794 9.906737 222.3835   28.93255 222.3835   28.93255 222.3835   28.93255 147.3794 9.906737 147.3794 9.906737 -0.000000 0.000000 
1 1 1 0  49 13 o 88.21199 14.04832 83.96114   23.25950 83.96114   23.25950 83.96114   23.25950 88.21199 14.04832 88.21199 14.04832 -0.000000 0.000000 
1 1 1 0  49 14 o 210.7840 9.460877 453.2767   39.71135 453.2767   39.71135 453.2767   39.71135 210.7840 9.460877 210.7840 9.460877 -0.000000 0.000000 
1 1 1 0  50 0  f 207.3268 13.80619 436.2575   56.73050 436.2575   56.73050 436.2575   56.73050 207.3268 13.80619 207.3268 13.80619 0.000000  0.000000 
1 1 1 0  50 1  o 101.7091 15.57227 108.9226   30.06716 108.9226   30.06716 108.9226   30.06716 101.7091 15.57227 101.7091 15.57227 -0.000000 0.000000 
1 1 1 0  50 2  o 74.72028 20.65663 67.50929   26.66333 67.50929   26.66333 67.50929   26.66333 74.72028 20.65663 74.72028 20.65663 -0.000000 0.000000 
1 1 1 0  50 3  o 145.5047 10.64070 215.5759   30.63447 215.5759   30.63447 215.5759   30.63447 145.5047 10.64070 145.5047 10.64070 -0.000000 0.000000 
1 1 1 0  50 4  o 123.9282 12.59461 158.8454   30.63447 158.8454   30.63447 158.8454   30.63447 123.9282 12.59461 123.9282 12.59461 -0.000000 0.000000 
1 1 1 0  50 5  o 130.9205 10.75729 175.2972   27.79794 175.2972   27.79794 175.2972   27.79794 130.9205 10.75729 130.9205 10.75729 -0.000000 0.000000 
1 1 1 0  50 6  o 25.88531 17.36783 -7.374964  24.39412 -7.374964  24.39412 -7.374964  24.39412 25.88531 17.36783 25.88531 17.36783 -0.000000 0.000000 
1 1 1 0  50 7  o 256.1240 10.22417 661.4776   52.19205 661.4776   52.19205 661.4776   52.19205 256.1240 10.22417 256.1240 10.22417 -0.000000 0.000000 
1 1 1 0  50 8  o 17.36442 12.77316 -55.59589  25.52872 -55.59589  25.52872 -55.59589  25.52872 17.36442 12.77316 17.36442 12.77316 -0.000000 0.000000 
1 1 1 0  50 9  o 243.0047 9.722110 596.8048   47.08631 596.8048   47.08631 596.8048   47.08631 243.0047 9.722110 243.0047 9.722110 -0.000000 0.000000 
1 1 1 0  50 10 o 293.7926 10.65090 873.6497   62.40355 873.6497   62.40355 873.6497   62.40355 293.7926 10.65090 293.7926 10.65090 -0.000000 0.000000 
1 1 1 0  50 11 o 135.2398 11.04989 188.3452   29.49986 188.3452   29.49986 188.3452   29.49986 135.2398 11.04989 135.2398 11.04989 -0.000000 0.000000 
1 1 1 0  50 12 o 161.0446 9.761614 264.9314   31.20177 264.9314   31.20177 264.9314   31.20177 161.0446 9.761614 161.0446 9.761614 -0.000000 0.000000 
1 1 1 0  50 13 o 36.02415 20.66282 18.72106   23.25950 18.72106   23.25950 18.72106   23.25950 36.02415 20.66282 36.02415 20.66282 -0.000000 0.000000 
1 1 1 0  50 14 o 428.7119 14.59310 1908.414   124.8071 1908.414   124.8071 1908.414   124.8071 428.7119 14.59310 428.7119 14.59310 -0.000000 0.000000 
1 1 1 0  51 1  o 52.52220 24.45948 40.84595   28.36525 40.84595   28.36525 40.84595   28.36525 52.52220 24.45948 52.52220 24.45948 -0.000000 0.000000 
1 1 1 0  51 2  o 191.3015 9.389520 369.3155   35.74022 369.3155   35.74022 369.3155   35.74022 191.3015 9.389520 191.3015 9.389520 -0.000000 0.000000 
1 1 1 0  51 3  o 127.1924 12.25214 166.7877   30.63447 166.7877   30.63447 166.7877   30.63447 127.1924 12.25214 127.1924 12.25214 -0.000000 0.000000 
1 1 1 0  51 4  o 32.90676 20.68548 6.807660   27.79794 6.807660   27.79794 6.807660   27.79794 32.90676 20.68548 32.90676 20.68548 -0.000000 0.000000 
1 1 1 0  51 5  o 124.8284 11.07247 159.9800   27.23064 159.9800   27.23064 159.9800   27.23064 124.8284 11.07247 124.8284 11.07247 -0.000000 0.000000 
1 1 1 0  51 6  o 144.5030 10.31291 212.7394   29.49986 212.7394   29.49986 212.7394   29.49986 144.5030 10.31291 144.5030 10.31291 -0.000000 0.000000 
1 1 1 0  51 7  o 169.2136 10.81912 291.0274   36.30752 291.0274   36.30752 291.0274   36.30752 169.2136 10.81912 169.2136 10.81912 -0.000000 0.000000 
1 1 1 0  51 8  o 593.9144 19.05149 3597.281   225.7874 3597.281   225.7874 3597.281   225.7874 593.9144 19.05149 593.9144 19.05149 -0.000000 0.000000 
1 1 1 0  51 9  o 20.69211 14.78196 -30.06716  24.96142 -30.06716  24.96142 -30.06716  24.96142 20.69211 14.78196 20.69211 14.78196 -0.000000 0.000000 
1 1 1 0  51 10 o 22.32976 15.71226 -23.25950  25.52872 -23.25950  25.52872 -23.25950  25.52872 22.32976 15.71226 22.32976 15.71226 -0.000000 0.000000 
1 1 1 0  51 11 o 114.6449 11.33611 136.7205   25.52872 136.7205   25.52872 136.7205   25.52872 114.6449 11.33611 114.6449 11.33611 -0.000000 0.000000 
1 1 1 0  51 12 o 93.62771 14.37466 94.17262   25.52872 94.17262   25.52872 94.17262   25.52872 93.62771 14.37466 93.62771 14.37466 -0.000000 0.000000 
1 1 1 0  51 13 o 84.04604 17.16185 81.12460   25.52872 81.12460   25.52872 81.12460   25.52872 84.04604 17.16185 84.04604 17.16185 -0.000000 0.000000 
1 1 1 0  51 14 o 354.4311 12.76096 1296.859   90.20149 1296.859   90.20149 1296.859   90.20149 354.4311 12.76096 354.4311 12.76096 -0.000000 0.000000 
1 1 1 0  52 0  f 331.7437 16.32993 1111.918   107.7879 1111.918   107.7879 1111.918   107.7879 331.7437 16.32993 331.7437 16.32993 0.000000  0.000000 
1 1 1 0  52 1  o 152.7729 11.07093 237.7008   33.47099 237.7008   33.47099 237.7008   33.47099 152.7729 11.07093 152.7729 11.07093 -0.000000 0.000000 
1 1 1 0  52 2  o 178.3350 9.925987 321.6619   35.17290 321.6619   35.17290 321.6619   35.17290 178.3350 9.925987 178.3350 9.925987 -0.000000 0.000000 
1 1 1 0  52 3  o 382.2439 12.79508 1471.589   97.57646 1471.589   97.57646 1471.589   97.57646 382.2439 12.79508 382.2439 12.79508 -0.000000 0.000000 
1 1 1 0  52 4  o 91.28606 17.73324 92.47070   28.93255 92.47070   28.93255 92.47070   28.93255 91.28606 17.73324 91.28606 17.73324 -0.000000 0.000000 
1 1 1 0  52 5  o 83.21417 19.21848 79.99000   27.79794 79.99000   27.79794 79.99000   27.79794 83.21417 19.21848 83.21417 19.21848 -0.000000 0.000000 
1 1 1 0  52 6  o 20.84855 15.09356 -46.51900  29.49986 -46.51900  29.49986 -46.51900  29.49986 20.84855 15.09356 20.84855 15.09356 -0.000000 0.000000 
1 1 1 0  52 7  o 150.7149 9.680373 230.8931   28.93255 230.8931   28.93255 230.8931   28.93255 150.7149 9.680373 150.7149 9.680373 -0.000000 0.000000 
1 1 1 0  52 8  o 153.0784 10.09580 238.8354   30.63447 238.8354   30.63447 238.8354   30.63447 153.0784 10.09580 153.0784 10.09580 -0.000000 0.000000 
1 1 1 0  52 9  o 170.2635 8.880712 293.8640   30.06716 293.8640   30.06716 293.8640   30.06716 170.2635 8.880712 170.2635 8.880712 -0.000000 0.000000 
1 1 1 0  52 10 o 28.20894 18.47543 -0.5673050 24.96142 -0.5673050 24.96142 -0.5673050 24.96142 28.20894 18.47543 28.20894 18.47543 -0.000000 0.000000 
1 1 1 0  52 11 o 63.21567 19.96835 51.62476   22.12490 51.62476   22.12490 51.62476   22.12490 63.21567 19.96835 63.21567 19.96835 -0.000000 0.000000 
1 1 1 0  52 12 o 27.47029 18.30723 -3.971134  26.09603 -3.971134  26.09603 -3.971134  26.09603 27.47029 18.30723 27.47029 18.30723 -0.000000 0.000000 
1 1 1 0  52 13 o 258.3279 10.35762 681.9006   53.32666 681.9006   53.32666 681.9006   53.32666 258.3279 10.35762 258.3279 10.35762 -0.000000 0.000000 
1 1 1 0  53 1  o 40.23853 23.05787 21.55759   28.93255 21.55759   28.93255 21.55759   28.93255 40.23853 23.05787 40.23853 23.05787 -0.000000 0.000000 
1 1 1 0  53 2  o 349.4301 12.37263 1230.484   86.23035 1230.484   86.23035 1230.484   86.23035 349.4301 12.37263 349.4301 12.37263 -0.000000 0.000000 
1 1 1 0  53 3  o 61.66089 25.28616 53.89397   30.63447 53.89397   30.63447 53.89397   30.63447 61.66089 25.28616 61.66089 25.28616 -0.000000 0.000000 
1 1 1 0  53 4  o 50.30602 24.35779 38.00943   28.36525 38.00943   28.36525 38.00943   28.36525 50.30602 24.35779 50.30602 24.35779 -0.000000 0.000000 
1 1 1 0  53 5  o 193.8100 9.562705 379.5270   36.87482 379.5270   36.87482 379.5270   36.87482 193.8100 9.562705 193.8100 9.562705 -0.000000 0.000000 
1 1 1 0  53 6  o 272.7988 10.22117 750.5444   55.59589 750.5444   55.59589 750.5444   55.59589 272.7988 10.22117 272.7988 10.22117 -0.000000 0.000000 
1 1 1 0  53 7  o 345.2310 11.86215 1204.388   81.69191 1204.388   81.69191 1204.388   81.69191 345.2310 11.86215 345.2310 11.86215 -0.000000 0.000000 
1 1 1 0  53 8  f 93.65298 14.36755 93.03801   25.52872 93.03801   25.52872 93.03801   25.52872 93.65298 14.36755 93.65298 14.36755 -0.000000 0.000000 
1 1 1 0  53 9  o 122.1529 11.81395 154.8743   28.36525 154.8743   28.36525 154.8743   28.36525 122.1529 11.81395 122.1529 11.81395 -0.000000 0.000000 
1 1 1 0  53 10 o 423.9635 14.08413 1833.530   119.1340 1833.530   119.1340 1833.530   119.1340 423.9635 14.08413 423.9635 14.08413 -0.000000 0.000000 
1 1 1 0  53 11 o 265.6542 10.17612 717.0735   53.89397 717.0735   53.89397 717.0735   53.89397 265.6542 10.17612 265.6542 10.17612 -0.000000 0.000000 
1 1 1 0  53 12 o 101.4927 13.53575 107.7879   27.23064 107.7879   27.23064 107.7879   27.23064 101.4927 13.53575 101.4927 13.53575 -0.000000 0.000000 
1 1 1 0  53 13 o 240.8675 10.16674 592.8337   48.78823 592.8337   48.78823 592.8337   48.78823 240.8675 10.16674 240.8675 10.16674 -0.000000 0.000000 
1 1 1 0  54 0  o 540.3392 24.62505 2961.899   264.9314 2961.899   264.9314 2961.899   264.9314 540.3392 24.62505 540.3392 24.62505 0.000000  0.000000 
1 1 1 0  54 1  o 108.7281 14.21260 124.8071   30.06716 124.8071   30.06716 124.8071   30.06716 108.7281 14.21260 108.7281 14.21260 -0.000000 0.000000 
1 1 1 0  54 2  o 225.8088 10.21987 514.5456   45.95170 514.5456   45.95170 514.5456   45.95170 225.8088 10.21987 225.8088 10.21987 -0.000000 0.000000 
1 1 1 0  54 3  o 52.64923 24.69294 41.41326   28.93255 41.41326   28.93255 41.41326   28.93255 52.64923 24.69294 52.64923 24.69294 -0.000000 0.000000 
1 1 1 0  54 4  o 480.6332 15.79482 2337.296   151.4704 2337.296   151.4704 2337.296   151.4704 480.6332 15.79482 480.6332 15.79482 -0.000000 0.000000 
1 1 1 0  54 5  o 159.8673 10.38056 259.8257   32.90369 259.8257   32.90369 259.8257   32.90369 159.8673 10.38056 159.8673 10.38056 -0.000000 0.000000 
1 1 1 0  54 6  o 354.0501 11.96732 1265.657   84.52843 1265.657   84.52843 1265.657   84.52843 354.0501 11.96732 354.0501 11.96732 -0.000000 0.000000 
1 1 1 0  54 7  f 54.78308 24.00424 44.24979   27.23064 44.24979   27.23064 44.24979   27.23064 54.78308 24.00424 54.78308 24.00424 -0.000000 0.000000 
1 1 1 0  54 8  o 24.72870 16.91086 -11.91340  24.96142 -11.91340  24.96142 -11.91340  24.96142 24.72870 16.91086 24.72870 16.91086 -0.000000 0.000000 
1 1 1 0  54 9  o 105.9109 12.90483 118.5667   26.66333 118.5667   26.66333 118.5667   26.66333 105.9109 12.90483 105.9109 12.90483 -0.000000 0.000000 
1 1 1 0  54 10 o 145.8888 11.01261 218.9797   31.76908 218.9797   31.76908 218.9797   31.76908 145.8888 11.01261 145.8888 11.01261 -0.000000 0.000000 
1 1 1 0  54 11 o 212.4979 9.788930 460.0844   41.41326 460.0844   41.41326 460.0844   41.41326 212.4979 9.788930 212.4979 9.788930 -0.000000 0.000000 
1 1 1 0  54 12 o 28.85550 19.05232 -1.134610  27.23064 -1.134610  27.23064 -1.134610  27.23064 28.85550 19.05232 28.85550 19.05232 -0.000000 0.000000 
1 1 1 0  54 13 o 45.78722 23.35882 34.03830   26.66333 34.03830   26.66333 34.03830   26.66333 45.78722 23.35882 45.78722 23.35882 -0.000000 0.000000 
1 1 1 0  55 1  o 190.8190 10.47180 368.7482   39.71135 368.7482   39.71135 368.7482   39.71135 190.8190 10.47180 190.8190 10.47180 -0.000000 0.000000 
1 1 1 0  55 2  o 643.3951 20.59081 4213.374   264.3641 4213.374   264.3641 4213.374   264.3641 643.3951 20.59081 643.3951 20.59081 -0.000000 0.000000 
1 1 1 0  55 3  o 208.2664 9.715250 437.9594   40.27865 437.9594   40.27865 437.9594   40.27865 208.2664 9.715250 208.2664 9.715250 -0.000000 0.000000 
1 1 1 0  55 4  o 45.09717 22.89008 30.63447   25.52872 30.63447   25.52872 30.63447   25.52872 45.09717 22.89008 45.09717 22.89008 -0.000000 0.000000 
1 1 1 0  55 5  o 26.91450 18.34298 -13.04801  28.93255 -13.04801  28.93255 -13.04801  28.93255 26.91450 18.34298 26.91450 18.34298 -0.000000 0.000000 
1 1 1 0  55 6  o 51.85336 23.73762 40.27865   26.66333 40.27865   26.66333 40.27865   26.66333 51.85336 23.73762 51.85336 23.73762 -0.000000 0.000000 
1 1 1 0  55 7  o 120.6012 14.20925 153.1723   33.47099 153.1723   33.47099 153.1723   33.47099 120.6012 14.20925 120.6012 14.20925 -0.000000 0.000000 
1 1 1 0  55 8  o 339.0149 11.91326 1165.812   80.55730 1165.812   80.55730 1165.812   80.55730 339.0149 11.91326 339.0149 11.91326 -0.000000 0.000000 
1 1 1 0  55 9  o 152.3448 10.14603 237.1335   30.63447 237.1335   30.63447 237.1335   30.63447 152.3448 10.14603 152.3448 10.14603 -0.000000 0.000000 
1 1 1 0  55 10 f 95.32051 14.79348 97.57646   26.66333 97.57646   26.66333 97.57646   26.66333 95.32051 14.79348 95.32051 14.79348 -0.000000 0.000000 
1 1 1 0  55 11 o 184.0400 9.611227 345.4887   35.17290 345.4887   35.17290 345.4887   35.17290 184.0400 9.611227 184.0400 9.611227 -0.000000 0.000000 
1 1 1 0  55 12 o 213.2977 10.29091 465.7574   43.68248 465.7574   43.68248 465.7574   43.68248 213.2977 10.29091 213.2977 10.29091 -0.000000 0.000000 
1 1 1 0  56 0  o 309.2562 16.51743 968.9568   101.5476 968.9568   101.5476 968.9568   101.5476 309.2562 16.51743 309.2562 16.51743 0.000000  0.000000 
1 1 1 0  56 1  o 113.8989 13.78356 136.1532   30.63447 136.1532   30.63447 136.1532   30.63447 113.8989 13.78356 113.8989 13.78356 -0.000000 0.000000 
1 1 1 0  56 2  o 144.2964 11.74957 213.3067   33.47099 213.3067   33.47099 213.3067   33.47099 144.2964 11.74957 144.2964 11.74957 -0.000000 0.000000 
1 1 1 0  56 3  o 71.00748 23.79432 65.80738   30.06716 65.80738   30.06716 65.80738   30.06716 71.00748 23.79432 71.00748 23.79432 -0.000000 0.000000 
1 1 1 0  56 4  o 383.5509 12.90004 1486.906   98.71106 1486.906   98.71106 1486.906   98.71106 383.5509 12.90004 383.5509 12.90004 -0.000000 0.000000 
1 1 1 0  56 5  o 171.5977 10.49518 299.5370   35.74022 299.5370   35.74022 299.5370   35.74022 171.5977 10.49518 171.5977 10.49518 -0.000000 0.000000 
1 1 1 0  56 6  o 19.92073 14.23940 -28.36525  23.25950 -28.36525  23.25950 -28.36525  23.25950 19.92073 14.23940 19.92073 14.23940 -0.000000 0.000000 
1 1 1 0  56 7  f 311.0643 11.24820 980.3030   69.77851 980.3030   69.77851 980.3030   69.77851 311.0643 11.24820 311.0643 11.24820 -0.000000 0.000000 
1 1 1 0  56 8  o 105.4706 14.94167 116.8648   30.63447 116.8648   30.63447 116.8648   30.63447 105.4706 14.94167 105.4706 14.94167 -0.000000 0.000000 
1 1 1 0  56 9  o 58.67332 22.88952 48.78823   25.52872 48.78823   25.52872 48.78823   25.52872 58.67332 22.88952 58.67332 22.88952 -0.000000 0.000000 
1 1 1 0  56 10 o 140.7222 10.60101 204.2298   29.49986 204.2298   29.49986 204.2298   29.49986 140.7222 10.60101 140.7222 10.60101 -0.000000 0.000000 
1 1 1 0  56 11 o 89.68939 14.10275 86.79766   23.82681 86.79766   23.82681 86.79766   23.82681 89.68939 14.10275 89.68939 14.10275 -0.000000 0.000000 
1 1 1 0  56 12 o 86.66238 17.31100 86.23035   26.66333 86.23035   26.66333 86.23035   26.66333 86.66238 17.31100 86.66238 17.31100 -0.000000 0.000000 
1 1 1 0  57 1  o 32.46296 20.81473 3.971134   29.49986 3.971134   29.49986 3.971134   29.49986 32.46296 20.81473 32.46296 20.81473 -0.000000 0.000000 
1 1 1 0  57 2  o 663.0155 21.13885 4497.594   279.6813 4497.594   279.6813 4497.594   279.6813 663.0155 21.13885 663.0155 21.13885 -0.000000 0.000000 
1 1 1 0  57 3  o 212.8947 10.17560 458.3824   43.11518 458.3824   43.11518 458.3824   43.11518 212.8947 10.17560 212.8947 10.17560 -0.000000 0.000000 
1 1 1 0  57 4  o 417.7111 19.85666 1794.953   165.0858 1794.953   165.0858 1794.953   165.0858 417.7111 19.85666 417.7111 19.85666 -0.000000 0.000000 
1 1 1 0  57 5  o 33.09759 20.84091 7.374964   28.36525 7.374964   28.36525 7.374964   28.36525 33.09759 20.84091 33.09759 20.84091 -0.000000 0.000000 
1 1 1 0  57 6  o 299.6689 11.10795 909.3899   66.37468 909.3899   66.37468 909.3899   66.37468 299.6689 11.10795 299.6689 11.10795 -0.000000 0.000000 
1 1 1 0  57 7  o 44.63955 23.03377 30.63447   26.09603 30.63447   26.09603 30.63447   26.09603 44.63955 23.03377 44.63955 23.03377 -0.000000 0.000000 
1 1 1 0  57 8  o 33.88916 20.60413 12.48071   25.52872 12.48071   25.52872 12.48071   25.52872 33.88916 20.60413 33.88916 20.60413 -0.000000 0.000000 
1 1 1 0  57 9  o 146.2484 10.78437 220.1143   31.20177 220.1143   31.20177 220.1143   31.20177 146.2484 10.78437 146.2484 10.78437 -0.000000 0.000000 
1 1 1 0  57 10 o 62.81908 22.70994 54.46128   26.09603 54.46128   26.09603 54.46128   26.09603 62.81908 22.70994 62.81908 22.70994 -0.000000 0.000000 
1 1 1 0  57 11 o 49.11670 24.86152 39.14404   30.06716 39.14404   30.06716 39.14404   30.06716 49.11670 24.86152 49.11670 24.86152 -0.000000 0.000000 
1 1 1 0  57 12 o 20.50887 14.71732 -31.20177  25.52872 -31.20177  25.52872 -31.20177  25.52872 20.50887 14.71732 20.50887 14.71732 -0.000000 0.000000 
1 1 1 0  58 0  o 169.6877 15.10409 296.1332   50.49014 296.1332   50.49014 296.1332   50.49014 169.6877 15.10409 169.6877 15.10409 0.000000  0.000000 
1 1 1 0  58 1  o 35.83364 21.95992 12.48071   29.49986 12.48071   29.49986 12.48071   29.49986 35.83364 21.95992 35.83364 21.95992 -0.000000 0.000000 
1 1 1 0  58 2  o 74.74882 22.65871 70.34581   29.49986 70.34581   29.49986 70.34581   29.49986 74.74882 22.65871 74.74882 22.65871 -0.000000 0.000000 
1 1 1 0  58 3  o 144.1490 12.57961 214.4413   35.74022 214.4413   35.74022 214.4413   35.74022 144.1490 12.57961 144.1490 12.57961 -0.000000 0.000000 
1 1 1 0  58 4  o 88.85581 31.09021 107.2206   49.92284 107.2206   49.92284 107.2206   49.92284 88.85581 31.09021 88.85581 31.09021 -0.000000 0.000000 
1 1 1 0  58 5  o 66.06653 24.56663 60.13433   30.06716 60.13433   30.06716 60.13433   30.06716 66.06653 24.56663 66.06653 24.56663 -0.000000 0.000000 
1 1 1 0  58 6  f 398.1926 13.28212 1611.714   105.5187 1611.714   105.5187 1611.714   105.5187 398.1926 13.28212 398.1926 13.28212 -0.000000 0.000000 
1 1 1 0  58 7  o 268.7759 9.950016 731.2560   53.32666 731.2560   53.32666 731.2560   53.32666 268.7759 9.950016 268.7759 9.950016 -0.000000 0.000000 
1 1 1 0  58 8  o 196.8379 9.558979 393.7097   37.44213 393.7097   37.44213 393.7097   37.44213 196.8379 9.558979 196.8379 9.558979 -0.000000 0.000000 
1 1 1 0  58 9  o 138.4276 10.36090 197.4221   28.36525 197.4221   28.36525 197.4221   28.36525 138.4276 10.36090 138.4276 10.36090 -0.000000 0.000000 
1 1 1 0  58 10 o 259.2770 10.54027 685.8717   54.46128 685.8717   54.46128 685.8717   54.46128 259.2770 10.54027 259.2770 10.54027 -0.000000 0.000000 
1 1 1 0  58 11 o 43.44662 23.73216 30.06716   28.93255 30.06716   28.93255 30.06716   28.93255 43.44662 23.73216 43.44662 23.73216 -0.000000 0.000000 
1 1 1 0  59 1  o 30.86066 20.23857 -1.134610  30.06716 -1.134610  30.06716 -1.134610  30.06716 30.86066 20.23857 30.86066 20.23857 -0.000000 0.000000 
1 1 1 0  59 2  o 117.3030 13.09888 144.0954   30.06716 144.0954   30.06716 144.0954   30.06716 117.3030 13.09888 117.3030 13.09888 -0.000000 0.000000 
1 1 1 0  59 3  o 101.3159 17.33788 111.7591   32.33638 111.7591   32.33638 111.7591   32.33638 101.3159 17.33788 101.3159 17.33788 -0.000000 0.000000 
1 1 1 0  59 4  o 105.5347 16.13312 118.5667   32.33638 118.5667   32.33638 118.5667   32.33638 105.5347 16.13312 105.5347 16.13312 -0.000000 0.000000 
1 1 1 0  59 5  o 64.26907 24.17211 57.29780   28.93255 57.29780   28.93255 57.29780   28.93255 64.26907 24.17211 64.26907 24.17211 -0.000000 0.000000 
1 1 1 0  59 6  f 338.8431 11.91937 1165.812   80.55730 1165.812   80.55730 1165.812   80.55730 338.8431 11.91937 338.8431 11.91937 -0.000000 0.000000 
1 1 1 0  59 7  o 217.7094 10.73938 482.2092   46.51900 482.2092   46.51900 482.2092   46.51900 217.7094 10.73938 217.7094 10.73938 -0.000000 0.000000 
1 1 1 0  59 8  o 86.67052 20.36062 89.06688   30.63447 89.06688   30.63447 89.06688   30.63447 86.67052 20.36062 86.67052 20.36062 -0.000000 0.000000 
1 1 1 0  59 9  o 154.8432 10.91737 246.7777   33.47099 246.7777   33.47099 246.7777   33.47099 154.8432 10.91737 154.8432 10.91737 -0.000000 0.000000 
1 1 1 0  59 10 o 47.53326 23.93895 36.30752   27.79794 36.30752   27.79794 36.30752   27.79794 47.53326 23.93895 47.53326 23.93895 -0.000000 0.000000 
1 1 1 0  59 11 o 147.9895 11.24552 227.4893   32.90369 227.4893   32.90369 227.4893   32.90369 147.9895 11.24552 147.9895 11.24552 -0.000000 0.000000 
1 1 1 0  60 0  o 245.7241 15.24310 614.9586   74.31695 614.9586   74.31695 614.9586   74.31695 245.7241 15.24310 245.7241 15.24310 0.000000  0.000000 
1 1 1 0  60 1  o 329.3741 11.57113 1097.735   76.01886 1097.735   76.01886 1097.735   76.01886 329.3741 11.57113 329.3741 11.57113 -0.000000 0.000000 
1 1 1 0  60 2  o 525.2942 17.26656 2820.640   180.9703 2820.640   180.9703 2820.640   180.9703 525.2942 17.26656 525.2942 17.26656 -0.000000 0.000000 
1 1 1 0  60 3  o 494.7173 16.32249 2501.815   161.1146 2501.815   161.1146 2501.815   161.1146 494.7173 16.32249 494.7173 16.32249 -0.000000 0.000000 
1 1 1 0  60 4  o 103.2833 13.89495 110.6245   28.36525 110.6245   28.36525 110.6245   28.36525 103.2833 13.89495 103.2833 13.89495 -0.000000 0.000000 
1 1 1 0  60 5  o 98.04984 17.87719 106.6533   31.76908 106.6533   31.76908 106.6533   31.76908 98.04984 17.87719 98.04984 17.87719 -0.000000 0.000000 
1 1 1 0  60 6  o 270.6706 10.72577 743.1695   57.86510 743.1695   57.86510 743.1695   57.86510 270.6706 10.72577 270.6706 10.72577 -0.000000 0.000000 
1 1 1 0  60 7  o 59.97728 25.12501 53.32666   30.06716 53.32666   30.06716 53.32666   30.06716 59.97728 25.12501 59.97728 25.12501 -0.000000 0.000000 
1 1 1 0  60 8  o 136.8532 13.72286 197.4221   36.87482 197.4221   36.87482 197.4221   36.87482 136.8532 13.72286 136.8532 13.72286 -0.000000 0.000000 
1 1 1 0  60 9  o 183.0296 10.77100 343.7868   39.14404 343.7868   39.14404 343.7868   39.14404 183.0296 10.77100 183.0296 10.77100 -0.000000 0.000000 
1 1 1 0  60 10 o 65.16927 22.32735 57.86510   26.09603 57.86510   26.09603 57.86510   26.09603 65.16927 22.32735 65.16927 22.32735 -0.000000 0.000000 
1 1 1 0  60 11 f 27.11665 18.54819 -11.91340  30.06716 -11.91340  30.06716 -11.91340  30.06716 27.11665 18.54819 27.11665 18.54819 -0.000000 0.000000 
1 1 1 0  61 1  o 197.7062 10.82868 397.6808   42.54787 397.6808   42.54787 397.6808   42.54787 197.7062 10.82868 197.7062 10.82868 -0.000000 0.000000 
1 1 1 0  61 2  o 137.5001 13.43804 196.8548   36.30752 196.8548   36.30752 196.8548   36.30752 137.5001 13.43804 137.5001 13.43804 -0.000000 0.000000 
1 1 1 0  61 3  o 133.0999 11.90119 183.2395   31.20177 183.2395   31.20177 183.2395   31.20177 133.0999 11.90119 133.0999 11.90119 -0.000000 0.000000 
1 1 1 0  61 4  o 27.66949 18.91790 -14.18262  31.20177 -14.18262  31.20177 -14.18262  31.20177 27.66949 18.91790 27.66949 18.91790 -0.000000 0.000000 
1 1 1 0  61 5  o 390.9182 13.31241 1556.117   103.8168 1556.117   103.8168 1556.117   103.8168 390.9182 13.31241 390.9182 13.31241 -0.000000 0.000000 
1 1 1 0  61 6  o 20.43639 14.80483 -48.22092  29.49986 -48.22092  29.49986 -48.22092  29.49986 20.43639 14.80483 20.43639 14.80483 -0.000000 0.000000 
1 1 1 0  61 7  f 44.35067 24.03874 30.63447   29.49986 30.63447   29.49986 30.63447   29.49986 44.35067 24.03874 44.35067 24.03874 -0.000000 0.000000 
1 1 1 0  61 8  o 110.1590 13.70725 125.3744   30.63447 125.3744   30.63447 125.3744   30.63447 110.1590 13.70725 110.1590 13.70725 -0.000000 0.000000 
1 1 1 0  61 9  o 37.47752 22.35612 18.72106   28.93255 18.72106   28.93255 18.72106   28.93255 37.47752 22.35612 37.47752 22.35612 -0.000000 0.000000 
1 1 1 0  61 10 o 50.89175 24.81698 41.98057   29.49986 41.98057   29.49986 41.98057   29.49986 50.89175 24.81698 50.89175 24.81698 -0.000000 0.000000 
1 1 1 0  62 0  o 507.6532 23.91641 2651.016   241.6719 2651.016   241.6719 2651.016   241.6719 507.6532 23.91641 507.6532 23.91641 0.000000  0.000000 
1 1 1 0  62 1  o 380.6562 13.44972 1474.993   102.1149 1474.993   102.1149 1474.993   102.1149 380.6562 13.44972 380.6562 13.44972 -0.000000 0.000000 
1 1 1 0  62 2  o 24.86870 17.36928 -23.82681  30.06716 -23.82681  30.06716 -23.82681  30.06716 24.86870 17.36928 24.86870 17.36928 -0.000000 0.000000 
1 1 1 0  62 3  o 227.1517 10.28491 523.6225   46.51900 523.6225   46.51900 523.6225   46.51900 227.1517 10.28491 227.1517 10.28491 -0.000000 0.000000 
1 1 1 0  62 4  o 161.3779 10.46039 266.0660   33.47099 266.0660   33.47099 266.0660   33.47099 161.3779 10.46039 161.3779 10.46039 -0.000000 0.000000 
1 1 1 0  62 5  o 50.14481 24.34929 39.14404   28.36525 39.14404   28.36525 39.14404   28.36525 50.14481 24.34929 50.14481 24.34929 -0.000000 0.000000 
1 1 1 0  62 6  o 41.71861 23.79119 25.52872   30.63447 25.52872   30.63447 25.52872   30.63447 41.71861 23.79119 41.71861 23.79119 -0.000000 0.000000 
1 1 1 0  62 7  o 60.68518 24.51933 53.89397   28.93255 53.89397   28.93255 53.89397   28.93255 60.68518 24.51933 60.68518 24.51933 -0.000000 0.000000 
1 1 1 0  62 8  o 226.7545 10.81044 525.8917   48.78823 525.8917   48.78823 525.8917   48.78823 226.7545 10.81044 226.7545 10.81044 -0.000000 0.000000 
1 1 1 0  62 9  o 32.76871 20.72255 8.509575   28.36525 8.509575   28.36525 8.509575   28.36525 32.76871 20.72255 32.76871 20.72255 -0.000000 0.000000 
1 1 1 0  62 10 o 34.13462 20.89795 13.61532   26.66333 13.61532   26.66333 13.61532   26.66333 34.13462 20.89795 34.13462 20.89795 -0.000000 0.000000 
1 1 1 0  63 1  o 296.2116 11.14252 890.1014   65.80738 890.1014   65.80738 890.1014   65.80738 296.2116 11.14252 296.2116 11.14252 -0.000000 0.000000 
1 1 1 0  63 2  o 186.1958 10.73843 353.4310   39.71135 353.4310   39.71135 353.4310   39.71135 186.1958 10.73843 186.1958 10.73843 -0.000000 0.000000 
1 1 1 0  63 3  o 23.18832 16.55665 -36.30752  31.20177 -36.30752  31.20177 -36.30752  31.20177 23.18832 16.55665 23.18832 16.55665 -0.000000 0.000000 
1 1 1 0  63 4  o 143.9623 12.39179 215.0086   35.17290 215.0086   35.17290 215.0086   35.17290 143.9623 12.39179 143.9623 12.39179 -0.000000 0.000000 
1 1 1 0  63 5  o 40.44863 23.85745 22.12490   32.33638 22.12490   32.33638 22.12490   32.33638 40.44863 23.85745 40.44863 23.85745 -0.000000 0.000000 
1 1 1 0  63 6  o 164.1398 10.27894 276.2775   33.47099 276.2775   33.47099 276.2775   33.47099 164.1398 10.27894 164.1398 10.27894 -0.000000 0.000000 
1 1 1 0  63 7  o 139.9279 13.82834 206.4990   38.00943 206.4990   38.00943 206.4990   38.00943 139.9279 13.82834 139.9279 13.82834 -0.000000 0.000000 
1 1 1 0  63 8  o 192.7435 11.71574 383.4982   44.81709 383.4982   44.81709 383.4982   44.81709 192.7435 11.71574 192.7435 11.71574 -0.000000 0.000000 
1 1 1 0  63 9  o 368.1486 13.13476 1400.676   96.44185 1400.676   96.44185 1400.676   96.44185 368.1486 13.13476 368.1486 13.13476 -0.000000 0.000000 
1 1 1 0  64 0  o 149.7656 16.84536 235.4316   49.35553 235.4316   49.35553 235.4316   49.35553 149.7656 16.84536 149.7656 16.84536 0.000000  0.000000 
1 1 1 0  64 1  o 362.4446 12.55472 1337.138   90.76879 1337.138   90.76879 1337.138   90.76879 362.4446 12.55472 362.4446 12.55472 -0.000000 0.000000 
1 1 1 0  64 2  o 20.48774 14.98110 -60.13433  32.33638 -60.13433  32.33638 -60.13433  32.33638 20.48774 14.98110 20.48774 14.98110 -0.000000 0.000000 
1 1 1 0  64 3  o 27.94070 18.68914 -5.673049  27.79794 -5.673049  27.79794 -5.673049  27.79794 27.94070 18.68914 27.94070 18.68914 -0.000000 0.000000 
1 1 1 0  64 4  o 68.20154 23.57756 62.97085   28.93255 62.97085   28.93255 62.97085   28.93255 68.20154 23.57756 68.20154 23.57756 -0.000000 0.000000 
1 1 1 0  64 5  o 52.35254 26.28412 44.24979   33.47099 44.24979   33.47099 44.24979   33.47099 52.35254 26.28412 52.35254 26.28412 -0.000000 0.000000 
1 1 1 0  64 6  o 41.94593 23.69717 26.66333   30.06716 26.66333   30.06716 26.66333   30.06716 41.94593 23.69717 41.94593 23.69717 -0.000000 0.000000 
1 1 1 0  64 7  o 60.82532 25.34581 55.59589   30.63447 55.59589   30.63447 55.59589   30.63447 60.82532 25.34581 60.82532 25.34581 -0.000000 0.000000 
1 1 1 0  64 8  o 116.3736 15.54687 147.4993   35.17290 147.4993   35.17290 147.4993   35.17290 116.3736 15.54687 116.3736 15.54687 -0.000000 0.000000 
1 1 1 0  64 9  o 126.9024 14.63718 173.0280   36.30752 173.0280   36.30752 173.0280   36.30752 126.9024 14.63718 126.9024 14.63718 -0.000000 0.000000 
1 1 1 0  65 1  o 187.2209 11.14200 359.1040   41.41326 359.1040   41.41326 359.1040   41.41326 187.2209 11.14200 187.2209 11.14200 -0.000000 0.000000 
1 1 1 0  65 2  o 26.35601 18.23143 -17.58645  30.63447 -17.58645  30.63447 -17.58645  30.63447 26.35601 18.23143 26.35601 18.23143 -0.000000 0.000000 
1 1 1 0  65 3  o 229.2844 10.31293 535.5359   47.08631 535.5359   47.08631 535.5359   47.08631 229.2844 10.31293 229.2844 10.31293 -0.000000 0.000000 
1 1 1 0  65 4  o 287.0202 11.30432 841.3133   64.67276 841.3133   64.67276 841.3133   64.67276 287.0202 11.30432 287.0202 11.30432 -0.000000 0.000000 
1 1 1 0  65 5  o 19.62090 14.46855 -73.18234  33.47099 -73.18234  33.47099 -73.18234  33.47099 19.62090 14.46855 19.62090 14.46855 -0.000000 0.000000 
1 1 1 0  65 6  o 77.69777 23.85693 78.85539   32.33638 78.85539   32.33638 78.85539   32.33638 77.69777 23.85693 77.69777 23.85693 -0.000000 0.000000 
1 1 1 0  65 7  o 20.97425 15.23021 -52.19205  31.76908 -52.19205  31.76908 -52.19205  31.76908 20.97425 15.23021 20.97425 15.23021 -0.000000 0.000000 
1 1 1 0  65 8  o 199.0360 10.89973 407.8922   43.11518 407.8922   43.11518 407.8922   43.11518 199.0360 10.89973 199.0360 10.89973 -0.000000 0.000000 
1 1 1 0  66 0  o 345.9395 18.14439 1231.052   124.8071 1231.052   124.8071 1231.052   124.8071 345.9395 18.14439 345.9395 18.14439 0.000000  0.000000 
1 1 1 0  66 1  o 45.89092 25.49390 32.90369   34.03830 32.90369   34.03830 32.90369   34.03830 45.89092 25.49390 45.89092 25.49390 -0.000000 0.000000 
1 1 1 0  66 2  o 132.2091 13.55849 184.3741   35.17290 184.3741   35.17290 184.3741   35.17290 132.2091 13.55849 132.2091 13.55849 -0.000000 0.000000 
1 1 1 0  66 3  o 184.6577 19.26864 367.0463   69.77851 367.0463   69.77851 367.0463   69.77851 184.6577 19.26864 184.6577 19.26864 -0.000000 0.000000 
1 1 1 0  66 4  o 145.7878 13.03859 222.3835   37.44213 222.3835   37.44213 222.3835   37.44213 145.7878 13.03859 145.7878 13.03859 -0.000000 0.000000 
1 1 1 0  66 5  o 267.5734 11.06591 731.8234   58.99971 731.8234   58.99971 731.8234   58.99971 267.5734 11.06591 267.5734 11.06591 -0.000000 0.000000 
1 1 1 0  66 6  o 21.18534 15.35083 -50.49014  31.76908 -50.49014  31.76908 -50.49014  31.76908 21.18534 15.35083 21.18534 15.35083 -0.000000 0.000000 
1 1 1 0  66 7  o 103.5407 17.90639 120.2687   34.03830 120.2687   34.03830 120.2687   34.03830 103.5407 17.90639 103.5407 17.90639 -0.000000 0.000000 
1 1 1 0  67 1  o 97.19853 20.97358 110.6245   35.74022 110.6245   35.74022 110.6245   35.74022 97.19853 20.97358 97.19853 20.97358 -0.000000 0.000000 
1 1 1 0  67 2  o 99.85947 16.93345 110.0572   31.20177 110.0572   31.20177 110.0572   31.20177 99.85947 16.93345 99.85947 16.93345 -0.000000 0.000000 
1 1 1 0  67 3  o 44.70897 28.68959 16.45185   56.16319 16.45185   56.16319 16.45185   56.16319 44.70897 28.68959 44.70897 28.68959 -0.000000 0.000000 
1 1 1 0  67 4  o 82.60169 23.04524 86.23035   32.90369 86.23035   32.90369 86.23035   32.90369 82.60169 23.04524 82.60169 23.04524 -0.000000 0.000000 
1 1 1 0  67 5  o 27.48313 18.82470 -13.04801  31.20177 -13.04801  31.20177 -13.04801  31.20177 27.48313 18.82470 27.48313 18.82470 -0.000000 0.000000 
1 1 1 0  67 6  o 39.53484 23.38191 22.12490   31.20177 22.12490   31.20177 22.12490   31.20177 39.53484 23.38191 39.53484 23.38191 -0.000000 0.000000 
1 1 1 0  67 7  o 22.88826 16.42322 -38.00943  31.76908 -38.00943  31.76908 -38.00943  31.76908 22.88826 16.42322 22.88826 16.42322 -0.000000 0.000000 
1 1 1 0  68 0  o 157.7688 17.26154 262.6622   53.32666 262.6622   53.32666 262.6622   53.32666 157.7688 17.26154 157.7688 17.26154 0.000000  0.000000 
1 1 1 0  68 1  o 123.4991 15.56011 164.5184   37.44213 164.5184   37.44213 164.5184   37.44213 123.4991 15.56011 123.4991 15.56011 -0.000000 0.000000 
1 1 1 0  68 2  o 57.41599 26.57886 52.19205   33.47099 52.19205   33.47099 52.19205   33.47099 57.41599 26.57886 57.41599 26.57886 -0.000000 0.000000 
1 1 1 0  68 3  o 59.03059 25.43464 53.32666   30.63447 53.32666   30.63447 53.32666   30.63447 59.03059 25.43464 59.03059 25.43464 -0.000000 0.000000 
1 1 1 0  68 4  o 29.20391 19.66313 -7.374964  31.76908 -7.374964  31.76908 -7.374964  31.76908 29.20391 19.66313 29.20391 19.66313 -0.000000 0.000000 
1 1 1 0  68 5  o 326.8340 12.09968 1098.302   78.85539 1098.302   78.85539 1098.302   78.85539 326.8340 12.09968 326.8340 12.09968 -0.000000 0.000000 
1 1 1 0  68 6  o 27.11447 18.83257 -19.28837  33.47099 -19.28837  33.47099 -19.28837  33.47099 27.11447 18.83257 27.11447 18.83257 -0.000000 0.000000 
1 1 1 0  69 1  o 29.45037 20.06739 -11.91340  34.60560 -11.91340  34.60560 -11.91340  34.60560 29.45037 20.06739 29.45037 20.06739 -0.000000 0.000000 
1 1 1 0  69 2  o 95.87463 20.16531 107.7879   34.03830 107.7879   34.03830 107.7879   34.03830 95.87463 20.16531 95.87463 20.16531 -0.000000 0.000000 
1 1 1 0  69 3  o 30.05292 20.16617 -6.240355  32.90369 -6.240355  32.90369 -6.240355  32.90369 30.05292 20.16617 30.05292 20.16617 -0.000000 0.000000 
1 1 1 0  69 4  o 35.92162 22.55091 12.48071   32.90369 12.48071   32.90369 12.48071   32.90369 35.92162 22.55091 35.92162 22.55091 -0.000000 0.000000 
1 1 1 0  69 5  o 26.44261 18.51567 -25.52872  34.60560 -25.52872  34.60560 -25.52872  34.60560 26.44261 18.51567 26.44261 18.51567 -0.000000 0.000000 
1 1 1 0  70 0  o 160.7428 18.41247 275.1429   57.86510 275.1429   57.86510 275.1429   57.86510 160.7428 18.41247 160.7428 18.41247 0.000000  0.000000 
1 1 1 0  70 1  o 30.49529 20.38154 -4.538440  32.90369 -4.538440  32.90369 -4.538440  32.90369 30.49529 20.38154 30.49529 20.38154 -0.000000 0.000000 
1 1 1 0  70 2  o 33.75331 21.82738 5.673049   33.47099 5.673049   33.47099 5.673049   33.47099 33.75331 21.82738 33.75331 21.82738 -0.000000 0.000000 
1 1 1 0  70 3  o 153.3839 13.12958 247.3450   39.71135 247.3450   39.71135 247.3450   39.71135 153.3839 13.12958 153.3839 13.12958 -0.000000 0.000000 
1 1 1 0  70 4  o 154.3509 13.42536 250.7488   40.84595 250.7488   40.84595 250.7488   40.84595 154.3509 13.42536 154.3509 13.42536 -0.000000 0.000000 
1 1 1 0  71 1  o 42.09739 24.28496 27.23064   32.33638 27.23064   32.33638 27.23064   32.33638 42.09739 24.28496 42.09739 24.28496 -0.000000 0.000000 
1 1 1 0  71 2  o 113.5636 17.35945 141.2589   37.44213 141.2589   37.44213 141.2589   37.44213 113.5636 17.35945 113.5636 17.35945 -0.000000 0.000000 
1 1 1 1  0  2  o 38.20850 2.243241 14.74993   1.701915 14.74993   1.701915 14.74993   1.701915 38.20850 2.243241 38.20850 2.243241 -0.000000 0.000000 
1 1 1 1  0  3  o 181.2324 4.230978 329.0369   15.31723 329.0369   15.31723 329.0369   15.31723 181.2324 4.230978 181.2324 4.230978 -0.000000 0.000000 
1 1 1 1  0  4  o 124.0925 3.204878 154.3070   7.942269 154.3070   7.942269 154.3070   7.942269 124.0925 3.204878 124.0925 3.204878 -0.000000 0.000000 
1 1 1 1  0  5  o 255.6488 5.776164 654.6700   29.49986 654.6700   29.49986 654.6700   29.49986 255.6488 5.776164 255.6488 5.776164 -0.000000 0.000000 
1 1 1 1  0  6  o 66.60564 3.859858 44.81709   5.105744 44.81709   5.105744 44.81709   5.105744 66.60564 3.859858 66.60564 3.859858 -0.000000 0.000000 
1 1 1 1  0  7  o 341.6947 7.562465 1170.350   51.62476 1170.350   51.62476 1170.350   51.62476 341.6947 7.562465 341.6947 7.562465 -0.000000 0.000000 
1 1 1 1  0  8  o 81.71112 4.896462 67.50929   7.942269 67.50929   7.942269 67.50929   7.942269 81.71112 4.896462 81.71112 4.896462 -0.000000 0.000000 
1 1 1 1  0  9  o 453.1950 9.711299 2060.452   87.93227 2060.452   87.93227 2060.452   87.93227 453.1950 9.711299 453.1950 9.711299 -0.000000 0.000000 
1 1 1 1  0  10 o 32.12425 13.84525 14.74993   9.076880 14.74993   9.076880 14.74993   9.076880 32.12425 13.84525 32.12425 13.84525 -0.000000 0.000000 
1 1 1 1  0  11 o 281.7397 8.473924 796.4961   47.65361 796.4961   47.65361 796.4961   47.65361 281.7397 8.473924 281.7397 8.473924 -0.000000 0.000000 
1 1 1 1  0  12 o 177.3308 6.739371 315.9889   23.82681 315.9889   23.82681 315.9889   23.82681 177.3308 6.739371 177.3308 6.739371 -0.000000 0.000000 
1 1 1 1  0  13 o 330.9562 10.65190 1100.572   70.34581 1100.572   70.34581 1100.572   70.34581 330.9562 10.65190 330.9562 10.65190 -0.000000 0.000000 
1 1 1 1  0  14 o 104.0247 9.701081 111.1918   19.85567 111.1918   19.85567 111.1918   19.85567 104.0247 9.701081 104.0247 9.701081 -0.000000 0.000000 
1 1 1 1  0  15 o 42.81909 20.41764 27.23064   19.85567 27.23064   19.85567 27.23064   19.85567 42.81909 20.41764 42.81909 20.41764 -0.000000 0.000000 
1 1 1 1  0  16 o 148.1101 8.094462 221.8162   23.82681 221.8162   23.82681 221.8162   23.82681 148.1101 8.094462 148.1101 8.094462 -0.000000 0.000000 
1 1 1 1  0  17 o 155.6719 8.619433 245.6430   26.66333 245.6430   26.66333 245.6430   26.66333 155.6719 8.619433 155.6719 8.619433 -0.000000 0.000000 
1 1 1 1  0  18 o 38.52944 21.02576 22.12490   22.69220 22.12490   22.69220 22.12490   22.69220 38.52944 21.02576 38.52944 21.02576 -0.000000 0.000000 
1 1 1 1  0  19 f 48.91550 21.35790 35.74022   21.55759 35.74022   21.55759 35.74022   21.55759 48.91550 21.35790 48.91550 21.35790 -0.000000 0.000000 
1 1 1 1  0  20 o 22.72136 15.64277 -11.34610  22.12490 -11.34610  22.12490 -11.34610  22.12490 22.72136 15.64277 22.72136 15.64277 -0.000000 0.000000 
1 1 1 1  1  1  o 555.1005 16.19848 3094.081   179.8357 3094.081   179.8357 ?          ?        555.1005 16.19848 ?        ?        ?         ?        
1 1 1 1  1  2  o 55.85751 1.523443 31.20177   1.701915 31.20177   1.701915 ?          ?        55.85751 1.523443 ?        ?        ?         ?        
1 1 1 1  1  3  o 262.2899 4.001353 688.1410   20.99029 688.1410   20.99029 ?          ?        262.2899 4.001353 ?        ?        ?         ?        
1 1 1 1  1  4  o 100.4866 1.975953 100.9803   3.971134 100.9803   3.971134 ?          ?        100.4866 1.975953 ?        ?        ?         ?        
1 1 1 1  1  5  o 773.7338 11.29135 5994.145   174.7299 5994.145   174.7299 ?          ?        773.7338 11.29135 ?        ?        ?         ?        
1 1 1 1  1  6  o 80.76498 2.458451 65.24007   3.971134 65.24007   3.971134 ?          ?        80.76498 2.458451 ?        ?        ?         ?        
1 1 1 1  1  7  o 42.59218 4.661812 18.15376   3.971134 18.15376   3.971134 ?          ?        42.59218 4.661812 ?        ?        ?         ?        
1 1 1 1  1  8  o 106.2366 2.937007 112.8937   6.240355 112.8937   6.240355 ?          ?        106.2366 2.937007 ?        ?        ?         ?        
1 1 1 1  1  9  o 352.0303 5.479179 1240.696   38.57674 1240.696   38.57674 ?          ?        352.0303 5.479179 ?        ?        ?         ?        
1 1 1 1  1  10 o 88.14310 4.183517 77.72078   7.374964 77.72078   7.374964 ?          ?        88.14310 4.183517 ?        ?        ?         ?        
1 1 1 1  1  11 o 177.4080 4.316952 314.8543   15.31723 314.8543   15.31723 ?          ?        177.4080 4.316952 ?        ?        ?         ?        
1 1 1 1  1  12 o 89.71965 5.690776 80.55730   10.21149 80.55730   10.21149 ?          ?        89.71965 5.690776 ?        ?        ?         ?        
1 1 1 1  1  13 o 795.9976 17.31853 6392.959   275.7102 6392.959   275.7102 ?          ?        795.9976 17.31853 ?        ?        ?         ?        
1 1 1 1  1  14 o 156.2830 5.444976 244.5084   17.01915 244.5084   17.01915 ?          ?        156.2830 5.444976 ?        ?        ?         ?        
1 1 1 1  1  15 o 554.1926 12.23274 3091.812   135.5859 3091.812   135.5859 ?          ?        554.1926 12.23274 ?        ?        ?         ?        
1 1 1 1  1  16 o 75.08840 9.443952 56.73050   14.18262 56.73050   14.18262 ?          ?        75.08840 9.443952 ?        ?        ?         ?        
1 1 1 1  1  17 o 213.1025 5.989775 456.1132   25.52872 456.1132   25.52872 ?          ?        213.1025 5.989775 ?        ?        ?         ?        
1 1 1 1  1  18 o 67.19925 12.27491 47.65361   15.88454 47.65361   15.88454 ?          ?        67.19925 12.27491 ?        ?        ?         ?        
1 1 1 1  1  19 o 40.84334 14.67869 15.31723   15.31723 15.31723   15.31723 ?          ?        40.84334 14.67869 ?        ?        ?         ?        
1 1 1 1  1  20 o 54.78756 15.40796 33.47099   17.58645 33.47099   17.58645 ?          ?        54.78756 15.40796 ?        ?        ?         ?        
1 1 1 1  2  2  o 152.8699 3.154376 233.7296   9.644185 233.7296   9.644185 ?          ?        152.8699 3.154376 ?        ?        ?         ?        
1 1 1 1  2  3  o 852.0112 14.31561 7283.629   243.9411 7283.629   243.9411 ?          ?        852.0112 14.31561 ?        ?        ?         ?        
1 1 1 1  2  4  o 28.17931 4.026393 7.942269   2.269220 7.942269   2.269220 ?          ?        28.17931 4.026393 ?        ?        ?         ?        
1 1 1 1  2  5  o 579.7521 8.513212 3363.551   98.71106 3363.551   98.71106 ?          ?        579.7521 8.513212 ?        ?        ?         ?        
1 1 1 1  2  6  o 21.59788 6.949735 4.538440   3.403830 4.538440   3.403830 ?          ?        21.59788 6.949735 ?        ?        ?         ?        
1 1 1 1  2  7  o 301.0712 4.804935 907.1206   28.93255 907.1206   28.93255 ?          ?        301.0712 4.804935 ?        ?        ?         ?        
1 1 1 1  2  8  o 57.34338 4.451904 32.90369   5.105744 32.90369   5.105744 ?          ?        57.34338 4.451904 ?        ?        ?         ?        
1 1 1 1  2  9  o 990.0428 14.46852 9880.183   286.4890 9880.183   286.4890 ?          ?        990.0428 14.46852 ?        ?        ?         ?        
1 1 1 1  2  10 o 121.8979 3.723150 148.6339   9.076880 148.6339   9.076880 ?          ?        121.8979 3.723150 ?        ?        ?         ?        
1 1 1 1  2  11 o 788.1046 16.77214 6246.595   264.3641 6246.595   264.3641 ?          ?        788.1046 16.77214 ?        ?        ?         ?        
1 1 1 1  2  12 o 173.1892 4.749674 300.1043   16.45185 300.1043   16.45185 ?          ?        173.1892 4.749674 ?        ?        ?         ?        
1 1 1 1  2  13 o 605.9044 13.20175 3690.319   159.9800 3690.319   159.9800 ?          ?        605.9044 13.20175 ?        ?        ?         ?        
1 1 1 1  2  14 o 353.6680 8.020305 1253.744   56.73050 1253.744   56.73050 ?          ?        353.6680 8.020305 ?        ?        ?         ?        
1 1 1 1  2  15 o 180.4806 5.657944 326.2003   20.42298 326.2003   20.42298 ?          ?        180.4806 5.657944 ?        ?        ?         ?        
1 1 1 1  2  16 o 104.7140 7.313842 110.0572   15.31723 110.0572   15.31723 ?          ?        104.7140 7.313842 ?        ?        ?         ?        
1 1 1 1  2  17 o 261.9529 6.605309 689.8428   34.60560 689.8428   34.60560 ?          ?        261.9529 6.605309 ?        ?        ?         ?        
1 1 1 1  2  18 o 87.27618 8.775151 77.15348   15.31723 77.15348   15.31723 ?          ?        87.27618 8.775151 ?        ?        ?         ?        
1 1 1 1  2  19 o 53.58195 14.10091 31.20177   15.31723 31.20177   15.31723 ?          ?        53.58195 14.10091 ?        ?        ?         ?        
1 1 1 1  2  20 o 51.64867 14.68165 29.49986   15.88454 29.49986   15.88454 ?          ?        51.64867 14.68165 ?        ?        ?         ?        
1 1 1 1  3  1  o 608.6741 12.62906 3714.146   153.7396 3714.146   153.7396 ?          ?        608.6741 12.62906 ?        ?        ?         ?        
1 1 1 1  3  2  o 19.92640 2.847002 3.971134   1.134610 3.971134   1.134610 ?          ?        19.92640 2.847002 ?        ?        ?         ?        
1 1 1 1  3  3  o 41.93230 3.382267 17.58645   2.836525 17.58645   2.836525 ?          ?        41.93230 3.382267 ?        ?        ?         ?        
1 1 1 1  3  4  o 207.2187 3.285254 429.4498   13.61532 429.4498   13.61532 ?          ?        207.2187 3.285254 ?        ?        ?         ?        
1 1 1 1  3  5  o 1169.566 18.14110 13724.81   424.3441 13724.81   424.3441 ?          ?        1169.566 18.14110 ?        ?        ?         ?        
1 1 1 1  3  6  o 97.61684 2.615196 95.30723   5.105744 95.30723   5.105744 ?          ?        97.61684 2.615196 ?        ?        ?         ?        
1 1 1 1  3  7  o 240.4885 4.010248 578.6511   19.28837 578.6511   19.28837 ?          ?        240.4885 4.010248 ?        ?        ?         ?        
1 1 1 1  3  8  o 69.83350 3.655656 48.78823   5.105744 48.78823   5.105744 ?          ?        69.83350 3.655656 ?        ?        ?         ?        
1 1 1 1  3  9  o 332.9468 5.196866 1109.649   34.60560 1109.649   34.60560 ?          ?        332.9468 5.196866 ?        ?        ?         ?        
1 1 1 1  3  10 o 157.6021 4.319524 248.4796   13.61532 248.4796   13.61532 ?          ?        157.6021 4.319524 ?        ?        ?         ?        
1 1 1 1  3  11 o 501.1881 10.07409 2517.132   100.9803 2517.132   100.9803 ?          ?        501.1881 10.07409 ?        ?        ?         ?        
1 1 1 1  3  12 o 91.90187 5.864295 84.52843   10.77879 84.52843   10.77879 ?          ?        91.90187 5.864295 ?        ?        ?         ?        
1 1 1 1  3  13 o 199.7589 5.395903 399.3827   21.55759 399.3827   21.55759 ?          ?        199.7589 5.395903 ?        ?        ?         ?        
1 1 1 1  3  14 o 176.2172 5.633864 310.8831   19.85567 310.8831   19.85567 ?          ?        176.2172 5.633864 ?        ?        ?         ?        
1 1 1 1  3  15 o 327.8195 8.133539 1077.879   53.32666 1077.879   53.32666 ?          ?        327.8195 8.133539 ?        ?        ?         ?        
1 1 1 1  3  16 o 44.39180 13.84850 19.85567   13.61532 19.85567   13.61532 ?          ?        44.39180 13.84850 ?        ?        ?         ?        
1 1 1 1  3  17 o 190.9622 6.387160 366.4790   24.39412 366.4790   24.39412 ?          ?        190.9622 6.387160 ?        ?        ?         ?        
1 1 1 1  3  18 o 58.67027 13.76051 36.87482   15.88454 36.87482   15.88454 ?          ?        58.67027 13.76051 ?        ?        ?         ?        
1 1 1 1  3  19 o 104.9766 7.565754 111.7591   15.88454 111.7591   15.88454 ?          ?        104.9766 7.565754 ?        ?        ?         ?        
1 1 1 1  3  20 f 42.96442 15.23531 18.15376   16.45185 18.15376   16.45185 ?          ?        42.96442 15.23531 ?        ?        ?         ?        
1 1 1 1  4  0  o 335.2592 9.918150 1127.802   66.37468 1127.802   66.37468 1127.802   66.37468 335.2592 9.918150 335.2592 9.918150 -0.000000 0.000000 
1 1 1 1  4  1  o 756.2559 18.00359 5748.501   272.3064 5748.501   272.3064 ?          ?        756.2559 18.00359 ?        ?        ?         ?        
1 1 1 1  4  2  o 363.5451 5.851800 1322.388   42.54787 1322.388   42.54787 ?          ?        363.5451 5.851800 ?        ?        ?         ?        
1 1 1 1  4  3  o 819.8341 12.80154 6739.016   209.9028 6739.016   209.9028 ?          ?        819.8341 12.80154 ?        ?        ?         ?        
1 1 1 1  4  4  o 151.5692 3.181446 229.7585   9.644185 229.7585   9.644185 ?          ?        151.5692 3.181446 ?        ?        ?         ?        
1 1 1 1  4  5  o 626.0922 9.242267 3923.481   115.7302 3923.481   115.7302 ?          ?        626.0922 9.242267 ?        ?        ?         ?        
1 1 1 1  4  6  o 247.5925 3.895185 613.2567   19.28837 613.2567   19.28837 ?          ?        247.5925 3.895185 ?        ?        ?         ?        
1 1 1 1  4  7  o 205.1249 3.595353 420.9402   14.74993 420.9402   14.74993 ?          ?        205.1249 3.595353 ?        ?        ?         ?        
1 1 1 1  4  8  o 68.60413 3.721164 47.08631   5.105744 47.08631   5.105744 ?          ?        68.60413 3.721164 ?        ?        ?         ?        
1 1 1 1  4  9  o 651.9193 10.31196 4266.133   134.4513 4266.133   134.4513 ?          ?        651.9193 10.31196 ?        ?        ?         ?        
1 1 1 1  4  10 o 293.0232 6.969749 859.4670   40.84595 859.4670   40.84595 ?          ?        293.0232 6.969749 ?        ?        ?         ?        
1 1 1 1  4  11 o 316.2870 6.636467 1001.293   41.98057 1001.293   41.98057 ?          ?        316.2870 6.636467 ?        ?        ?         ?        
1 1 1 1  4  12 o 225.1254 5.417894 507.1707   24.39412 507.1707   24.39412 ?          ?        225.1254 5.417894 ?        ?        ?         ?        
1 1 1 1  4  13 o 600.5352 13.17808 3625.079   158.2781 3625.079   158.2781 ?          ?        600.5352 13.17808 ?        ?        ?         ?        
1 1 1 1  4  14 o 122.0673 6.041718 149.2012   14.74993 149.2012   14.74993 ?          ?        122.0673 6.041718 ?        ?        ?         ?        
1 1 1 1  4  15 o 870.9739 19.11699 7713.645   333.0080 7713.645   333.0080 ?          ?        870.9739 19.11699 ?        ?        ?         ?        
1 1 1 1  4  16 f 90.50128 7.835593 82.25922   14.18262 82.25922   14.18262 ?          ?        90.50128 7.835593 ?        ?        ?         ?        
1 1 1 1  4  17 o 197.1016 6.188207 390.3058   24.39412 390.3058   24.39412 ?          ?        197.1016 6.188207 ?        ?        ?         ?        
1 1 1 1  4  18 o 169.5494 6.190020 289.3255   20.99029 289.3255   20.99029 ?          ?        169.5494 6.190020 ?        ?        ?         ?        
1 1 1 1  4  19 o 165.9046 6.326011 277.9794   20.99029 277.9794   20.99029 ?          ?        165.9046 6.326011 ?        ?        ?         ?        
1 1 1 1  4  20 o 59.14372 13.68878 38.57674   15.88454 38.57674   15.88454 ?          ?        59.14372 13.68878 ?        ?        ?         ?        
1 1 1 1  5  0  o 263.4987 5.819336 695.5159   30.63447 695.5159   30.63447 695.5159   30.63447 263.4987 5.819336 263.4987 5.819336 -0.000000 0.000000 
1 1 1 1  5  1  o 618.5835 9.675440 3832.145   119.7014 3832.145   119.7014 ?          ?        618.5835 9.675440 ?        ?        ?         ?        
1 1 1 1  5  2  o 268.2680 4.440860 719.9100   23.82681 719.9100   23.82681 ?          ?        268.2680 4.440860 ?        ?        ?         ?        
1 1 1 1  5  3  o 291.3654 4.867641 849.2556   28.36525 849.2556   28.36525 ?          ?        291.3654 4.867641 ?        ?        ?         ?        
1 1 1 1  5  4  o 208.4372 4.490817 434.5556   18.72106 434.5556   18.72106 ?          ?        208.4372 4.490817 ?        ?        ?         ?        
1 1 1 1  5  5  o 87.18544 2.602751 76.01886   4.538440 76.01886   4.538440 ?          ?        87.18544 2.602751 ?        ?        ?         ?        
1 1 1 1  5  6  o 359.4097 5.919132 1292.888   42.54787 1292.888   42.54787 ?          ?        359.4097 5.919132 ?        ?        ?         ?        
1 1 1 1  5  7  o 560.1163 8.406525 3144.571   94.17262 3144.571   94.17262 ?          ?        560.1163 8.406525 ?        ?        ?         ?        
1 1 1 1  5  8  o 142.6898 2.981843 203.6625   8.509575 203.6625   8.509575 ?          ?        142.6898 2.981843 ?        ?        ?         ?        
1 1 1 1  5  9  o 319.9834 5.939282 1025.120   38.00943 1025.120   38.00943 ?          ?        319.9834 5.939282 ?        ?        ?         ?        
1 1 1 1  5  10 o 347.4378 7.184428 1208.359   49.92284 1208.359   49.92284 ?          ?        347.4378 7.184428 ?        ?        ?         ?        
1 1 1 1  5  11 o 276.6384 5.947057 765.8617   32.90369 765.8617   32.90369 ?          ?        276.6384 5.947057 ?        ?        ?         ?        
1 1 1 1  5  12 o 295.1261 6.727861 871.9477   39.71135 871.9477   39.71135 ?          ?        295.1261 6.727861 ?        ?        ?         ?        
1 1 1 1  5  13 o 233.0926 6.692999 544.0455   31.20177 544.0455   31.20177 ?          ?        233.0926 6.692999 ?        ?        ?         ?        
1 1 1 1  5  14 o 162.1340 6.123229 263.2295   19.85567 263.2295   19.85567 ?          ?        162.1340 6.123229 ?        ?        ?         ?        
1 1 1 1  5  15 o 960.3845 21.08821 9416.694   405.0558 9416.694   405.0558 ?          ?        960.3845 21.08821 ?        ?        ?         ?        
1 1 1 1  5  16 o 201.1602 5.781338 405.6230   23.25950 405.6230   23.25950 ?          ?        201.1602 5.781338 ?        ?        ?         ?        
1 1 1 1  5  17 o 136.6636 6.641769 187.7779   18.15376 187.7779   18.15376 ?          ?        136.6636 6.641769 ?        ?        ?         ?        
1 1 1 1  5  18 o 91.62395 8.977917 85.09574   16.45185 85.09574   16.45185 ?          ?        91.62395 8.977917 ?        ?        ?         ?        
1 1 1 1  5  19 o 75.39837 10.53374 58.43241   15.88454 58.43241   15.88454 ?          ?        75.39837 10.53374 ?        ?        ?         ?        
1 1 1 1  5  20 o 36.28647 14.97282 6.240355   17.58645 6.240355   17.58645 ?          ?        36.28647 14.97282 ?        ?        ?         ?        
1 1 1 1  6  0  o 251.5172 5.532009 633.6796   27.79794 633.6796   27.79794 633.6796   27.79794 251.5172 5.532009 251.5172 5.532009 -0.000000 0.000000 
1 1 1 1  6  1  o 733.1751 10.75533 5385.426   157.7108 5385.426   157.7108 ?          ?        733.1751 10.75533 ?        ?        ?         ?        
1 1 1 1  6  2  o 248.1813 3.885943 616.0932   19.28837 616.0932   19.28837 ?          ?        248.1813 3.885943 ?        ?        ?         ?        
1 1 1 1  6  3  o 639.9478 10.90378 4102.750   139.5570 4102.750   139.5570 ?          ?        639.9478 10.90378 ?        ?        ?         ?        
1 1 1 1  6  4  o 316.9253 5.191080 1004.697   32.90369 1004.697   32.90369 ?          ?        316.9253 5.191080 ?        ?        ?         ?        
1 1 1 1  6  5  o 301.9822 5.072231 912.2264   30.63447 912.2264   30.63447 ?          ?        301.9822 5.072231 ?        ?        ?         ?        
1 1 1 1  6  6  o 232.1010 4.155168 538.9397   19.28837 538.9397   19.28837 ?          ?        232.1010 4.155168 ?        ?        ?         ?        
1 1 1 1  6  7  o 234.1373 4.603621 548.5839   21.55759 548.5839   21.55759 ?          ?        234.1373 4.603621 ?        ?        ?         ?        
1 1 1 1  6  8  o 161.3377 3.340445 260.3930   10.77879 260.3930   10.77879 ?          ?        161.3377 3.340445 ?        ?        ?         ?        
1 1 1 1  6  9  o 629.6674 10.81152 3979.645   136.1532 3979.645   136.1532 ?          ?        629.6674 10.81152 ?        ?        ?         ?        
1 1 1 1  6  10 o 175.6370 4.683480 308.6139   16.45185 308.6139   16.45185 ?          ?        175.6370 4.683480 ?        ?        ?         ?        
1 1 1 1  6  11 o 350.7441 7.278448 1231.619   51.05745 1231.619   51.05745 ?          ?        350.7441 7.278448 ?        ?        ?         ?        
1 1 1 1  6  12 o 442.9786 9.733016 1966.846   86.23035 1966.846   86.23035 ?          ?        442.9786 9.733016 ?        ?        ?         ?        
1 1 1 1  6  13 o 267.2979 6.473228 715.3715   34.60560 715.3715   34.60560 ?          ?        267.2979 6.473228 ?        ?        ?         ?        
1 1 1 1  6  14 o 119.9455 6.621567 144.0954   15.88454 144.0954   15.88454 ?          ?        119.9455 6.621567 ?        ?        ?         ?        
1 1 1 1  6  15 o 235.7299 7.219765 557.0934   34.03830 557.0934   34.03830 ?          ?        235.7299 7.219765 ?        ?        ?         ?        
1 1 1 1  6  16 o 64.82608 13.96348 44.24979   17.58645 44.24979   17.58645 ?          ?        64.82608 13.96348 ?        ?        ?         ?        
1 1 1 1  6  17 o 121.6776 7.926017 149.2012   19.28837 149.2012   19.28837 ?          ?        121.6776 7.926017 ?        ?        ?         ?        
1 1 1 1  6  18 o 80.65605 10.90213 66.37468   17.58645 66.37468   17.58645 ?          ?        80.65605 10.90213 ?        ?        ?         ?        
1 1 1 1  6  19 o 177.4907 6.871942 318.8254   24.39412 318.8254   24.39412 ?          ?        177.4907 6.871942 ?        ?        ?         ?        
1 1 1 1  6  20 o 99.23228 9.432951 101.5476   18.72106 101.5476   18.72106 ?          ?        99.23228 9.432951 ?        ?        ?         ?        
1 1 1 1  7  0  o 850.0702 17.46796 7252.994   296.7005 7252.994   296.7005 7252.994   296.7005 850.0702 17.46796 850.0702 17.46796 -0.000000 0.000000 
1 1 1 1  7  1  o 909.5178 13.22334 8295.701   240.5373 8295.701   240.5373 ?          ?        909.5178 13.22334 ?        ?        ?         ?        
1 1 1 1  7  2  o 345.7359 5.250760 1195.879   36.30752 1195.879   36.30752 ?          ?        345.7359 5.250760 ?        ?        ?         ?        
1 1 1 1  7  3  o 1262.805 30.36875 16159.68   766.9963 16159.68   766.9963 ?          ?        1262.805 30.36875 ?        ?        ?         ?        
1 1 1 1  7  4  o 252.5871 5.839542 638.2181   29.49986 638.2181   29.49986 ?          ?        252.5871 5.839542 ?        ?        ?         ?        
1 1 1 1  7  5  o 134.0944 2.961447 179.8357   7.942269 179.8357   7.942269 ?          ?        134.0944 2.961447 ?        ?        ?         ?        
1 1 1 1  7  6  o 229.8903 4.195125 528.7282   19.28837 528.7282   19.28837 ?          ?        229.8903 4.195125 ?        ?        ?         ?        
1 1 1 1  7  7  f 373.4450 5.772627 1396.138   43.11518 1396.138   43.11518 ?          ?        373.4450 5.772627 ?        ?        ?         ?        
1 1 1 1  7  8  o 181.9830 3.429086 331.3061   12.48071 331.3061   12.48071 ?          ?        181.9830 3.429086 ?        ?        ?         ?        
1 1 1 1  7  9  o 646.1299 11.01896 4190.114   142.3935 4190.114   142.3935 ?          ?        646.1299 11.01896 ?        ?        ?         ?        
1 1 1 1  7  10 o 193.4305 6.159009 374.4213   23.82681 374.4213   23.82681 ?          ?        193.4305 6.159009 ?        ?        ?         ?        
1 1 1 1  7  11 o 648.5638 13.90788 4224.153   180.4030 4224.153   180.4030 ?          ?        648.5638 13.90788 ?        ?        ?         ?        
1 1 1 1  7  12 o 637.6371 13.87930 4085.163   176.9992 4085.163   176.9992 ?          ?        637.6371 13.87930 ?        ?        ?         ?        
1 1 1 1  7  13 o 290.9938 7.310788 848.1210   42.54787 848.1210   42.54787 ?          ?        290.9938 7.310788 ?        ?        ?         ?        
1 1 1 1  7  14 o 47.51735 13.61996 23.25950   13.61532 23.25950   13.61532 ?          ?        47.51735 13.61996 ?        ?        ?         ?        
1 1 1 1  7  15 o 215.9445 6.961781 467.4593   30.06716 467.4593   30.06716 ?          ?        215.9445 6.961781 ?        ?        ?         ?        
1 1 1 1  7  16 o 424.3108 11.03028 1817.078   93.60532 1817.078   93.60532 ?          ?        424.3108 11.03028 ?        ?        ?         ?        
1 1 1 1  7  17 o 411.6285 10.88775 1719.501   89.63419 1719.501   89.63419 ?          ?        411.6285 10.88775 ?        ?        ?         ?        
1 1 1 1  7  18 o 110.0914 7.987202 122.5379   17.58645 122.5379   17.58645 ?          ?        110.0914 7.987202 ?        ?        ?         ?        
1 1 1 1  7  19 o 318.8650 8.984650 1038.168   57.29780 1038.168   57.29780 ?          ?        318.8650 8.984650 ?        ?        ?         ?        
1 1 1 1  7  20 o 74.27920 14.25601 60.70163   20.42298 60.70163   20.42298 ?          ?        74.27920 14.25601 ?        ?        ?         ?        
1 1 1 1  8  0  o 254.2039 5.585232 647.2949   28.36525 647.2949   28.36525 647.2949   28.36525 254.2039 5.585232 254.2039 5.585232 -0.000000 0.000000 
1 1 1 1  8  1  o 302.3516 4.690772 914.4956   28.36525 914.4956   28.36525 ?          ?        302.3516 4.690772 ?        ?        ?         ?        
1 1 1 1  8  2  o 117.6485 2.169915 138.4224   5.105744 138.4224   5.105744 ?          ?        117.6485 2.169915 ?        ?        ?         ?        
1 1 1 1  8  3  o 749.4872 11.01325 5626.530   165.0858 5626.530   165.0858 ?          ?        749.4872 11.01325 ?        ?        ?         ?        
1 1 1 1  8  4  o 326.7123 5.035575 1067.668   32.90369 1067.668   32.90369 ?          ?        326.7123 5.035575 ?        ?        ?         ?        
1 1 1 1  8  5  o 1202.263 18.70942 14540.59   449.8729 14540.59   449.8729 ?          ?        1202.263 18.70942 ?        ?        ?         ?        
1 1 1 1  8  6  o 438.2577 8.543405 1924.298   74.88425 1924.298   74.88425 ?          ?        438.2577 8.543405 ?        ?        ?         ?        
1 1 1 1  8  7  o 315.2036 5.399415 994.4856   34.03830 994.4856   34.03830 ?          ?        315.2036 5.399415 ?        ?        ?         ?        
1 1 1 1  8  8  o 205.2588 3.731200 421.5076   15.31723 421.5076   15.31723 ?          ?        205.2588 3.731200 ?        ?        ?         ?        
1 1 1 1  8  9  o 523.5877 9.155538 2748.025   95.87454 2748.025   95.87454 ?          ?        523.5877 9.155538 ?        ?        ?         ?        
1 1 1 1  8  10 o 425.9108 8.657875 1816.511   73.74965 1816.511   73.74965 ?          ?        425.9108 8.657875 ?        ?        ?         ?        
1 1 1 1  8  11 o 780.9669 18.01506 6142.778   281.3832 6142.778   281.3832 ?          ?        780.9669 18.01506 ?        ?        ?         ?        
1 1 1 1  8  12 o 528.8540 13.35519 2809.294   141.2589 2809.294   141.2589 ?          ?        528.8540 13.35519 ?        ?        ?         ?        
1 1 1 1  8  13 o 145.3817 6.243481 211.6048   18.15376 211.6048   18.15376 ?          ?        145.3817 6.243481 ?        ?        ?         ?        
1 1 1 1  8  14 o 306.6806 8.324205 942.8608   51.05745 942.8608   51.05745 ?          ?        306.6806 8.324205 ?        ?        ?         ?        
1 1 1 1  8  15 o 338.6189 9.130654 1151.629   61.83624 1151.629   61.83624 ?          ?        338.6189 9.130654 ?        ?        ?         ?        
1 1 1 1  8  16 o 588.3499 15.18663 3525.233   178.7011 3525.233   178.7011 ?          ?        588.3499 15.18663 ?        ?        ?         ?        
1 1 1 1  8  17 o 134.2398 7.606903 181.5376   20.42298 181.5376   20.42298 ?          ?        134.2398 7.606903 ?        ?        ?         ?        
1 1 1 1  8  18 o 80.98314 10.85810 66.94199   17.58645 66.94199   17.58645 ?          ?        80.98314 10.85810 ?        ?        ?         ?        
1 1 1 1  8  19 o 94.61470 11.09251 92.47070   20.99029 92.47070   20.99029 ?          ?        94.61470 11.09251 ?        ?        ?         ?        
1 1 1 1  8  20 o 125.9281 8.108984 162.2492   20.42298 162.2492   20.42298 ?          ?        125.9281 8.108984 ?        ?        ?         ?        
1 1 1 1  9  0  o 296.1791 6.423354 878.7554   38.00943 878.7554   38.00943 878.7554   38.00943 296.1791 6.423354 296.1791 6.423354 -0.000000 0.000000 
1 1 1 1  9  1  o 698.0375 10.28083 4881.092   143.5282 4881.092   143.5282 ?          ?        698.0375 10.28083 ?        ?        ?         ?        
1 1 1 1  9  2  o 419.9053 6.282293 1764.318   52.75936 1764.318   52.75936 ?          ?        419.9053 6.282293 ?        ?        ?         ?        
1 1 1 1  9  3  o 425.4784 6.933338 1811.405   58.99971 1811.405   58.99971 ?          ?        425.4784 6.933338 ?        ?        ?         ?        
1 1 1 1  9  4  o 695.5424 14.31430 4847.054   199.1240 4847.054   199.1240 ?          ?        695.5424 14.31430 ?        ?        ?         ?        
1 1 1 1  9  5  o 232.1139 3.910528 538.9397   18.15376 538.9397   18.15376 ?          ?        232.1139 3.910528 ?        ?        ?         ?        
1 1 1 1  9  6  o 407.7349 6.678516 1664.473   54.46128 1664.473   54.46128 ?          ?        407.7349 6.678516 ?        ?        ?         ?        
1 1 1 1  9  7  o 238.4625 4.401170 569.0069   20.99029 569.0069   20.99029 ?          ?        238.4625 4.401170 ?        ?        ?         ?        
1 1 1 1  9  8  o 389.8276 5.966612 1521.512   46.51900 1521.512   46.51900 ?          ?        389.8276 5.966612 ?        ?        ?         ?        
1 1 1 1  9  9  f 234.7614 4.349732 551.4204   20.42298 551.4204   20.42298 ?          ?        234.7614 4.349732 ?        ?        ?         ?        
1 1 1 1  9  10 o 754.6329 14.99767 5717.867   226.3547 5717.867   226.3547 ?          ?        754.6329 14.99767 ?        ?        ?         ?        
1 1 1 1  9  11 f 506.8038 10.24231 2574.430   103.8168 2574.430   103.8168 ?          ?        506.8038 10.24231 ?        ?        ?         ?        
1 1 1 1  9  12 o 324.5247 7.429470 1054.620   48.22092 1054.620   48.22092 ?          ?        324.5247 7.429470 ?        ?        ?         ?        
1 1 1 1  9  13 o 177.8459 5.263281 316.5562   18.72106 316.5562   18.72106 ?          ?        177.8459 5.263281 ?        ?        ?         ?        
1 1 1 1  9  14 o 364.9832 8.315676 1335.436   60.70163 1335.436   60.70163 ?          ?        364.9832 8.315676 ?        ?        ?         ?        
1 1 1 1  9  15 o 546.5615 13.96046 3018.629   152.6050 3018.629   152.6050 ?          ?        546.5615 13.96046 ?        ?        ?         ?        
1 1 1 1  9  16 o 231.8321 6.729390 539.5070   31.20177 539.5070   31.20177 ?          ?        231.8321 6.729390 ?        ?        ?         ?        
1 1 1 1  9  17 o 177.8464 6.858199 318.2581   24.39412 318.2581   24.39412 ?          ?        177.8464 6.858199 ?        ?        ?         ?        
1 1 1 1  9  18 o 145.7583 8.173394 215.0086   23.82681 215.0086   23.82681 ?          ?        145.7583 8.173394 ?        ?        ?         ?        
1 1 1 1  9  19 o 45.58446 15.55288 20.99029   17.01915 20.99029   17.01915 ?          ?        45.58446 15.55288 ?        ?        ?         ?        
1 1 1 1  9  20 o 112.6836 9.565536 131.0475   21.55759 131.0475   21.55759 ?          ?        112.6836 9.565536 ?        ?        ?         ?        
1 1 1 1  10 0  o 300.2514 6.620177 903.1494   39.71135 903.1494   39.71135 903.1494   39.71135 300.2514 6.620177 300.2514 6.620177 -0.000000 0.000000 
1 1 1 1  10 1  o 518.4138 7.714880 2690.160   79.99000 2690.160   79.99000 ?          ?        518.4138 7.714880 ?        ?        ?         ?        
1 1 1 1  10 2  o 932.7828 13.59295 8725.150   253.5853 8725.150   253.5853 ?          ?        932.7828 13.59295 ?        ?        ?         ?        
1 1 1 1  10 3  o 372.2127 5.639325 1385.926   41.98057 1385.926   41.98057 ?          ?        372.2127 5.639325 ?        ?        ?         ?        
1 1 1 1  10 4  o 654.8643 9.615863 4292.229   125.9417 4292.229   125.9417 ?          ?        654.8643 9.615863 ?        ?        ?         ?        
1 1 1 1  10 5  o 225.4172 3.775034 508.3052   17.01915 508.3052   17.01915 ?          ?        225.4172 3.775034 ?        ?        ?         ?        
1 1 1 1  10 6  o 320.2351 5.048850 1026.255   32.33638 1026.255   32.33638 ?          ?        320.2351 5.048850 ?        ?        ?         ?        
1 1 1 1  10 7  o 376.2371 6.785276 1417.695   51.05745 1417.695   51.05745 ?          ?        376.2371 6.785276 ?        ?        ?         ?        
1 1 1 1  10 8  o 188.8605 3.454405 356.8348   13.04801 356.8348   13.04801 ?          ?        188.8605 3.454405 ?        ?        ?         ?        
1 1 1 1  10 9  o 524.1990 10.60587 2756.535   111.1918 2756.535   111.1918 ?          ?        524.1990 10.60587 ?        ?        ?         ?        
1 1 1 1  10 10 o 666.3317 13.32418 4453.911   177.5665 4453.911   177.5665 ?          ?        666.3317 13.32418 ?        ?        ?         ?        
1 1 1 1  10 11 o 209.2211 4.880718 437.9594   20.42298 437.9594   20.42298 ?          ?        209.2211 4.880718 ?        ?        ?         ?        
1 1 1 1  10 12 o 501.1747 10.97992 2519.401   110.0572 2519.401   110.0572 ?          ?        501.1747 10.97992 ?        ?        ?         ?        
1 1 1 1  10 13 o 185.3286 5.509936 343.7868   20.42298 343.7868   20.42298 ?          ?        185.3286 5.509936 ?        ?        ?         ?        
1 1 1 1  10 14 o 306.2228 7.132468 939.4571   43.68248 939.4571   43.68248 ?          ?        306.2228 7.132468 ?        ?        ?         ?        
1 1 1 1  10 15 o 443.0537 9.987456 1973.654   88.49958 1973.654   88.49958 ?          ?        443.0537 9.987456 ?        ?        ?         ?        
1 1 1 1  10 16 o 215.8454 6.176489 467.4593   26.66333 467.4593   26.66333 ?          ?        215.8454 6.176489 ?        ?        ?         ?        
1 1 1 1  10 17 o 111.4965 7.886552 125.3744   17.58645 125.3744   17.58645 ?          ?        111.4965 7.886552 ?        ?        ?         ?        
1 1 1 1  10 18 o 26.53089 12.34585 -13.61532  15.88454 -13.61532  15.88454 ?          ?        26.53089 12.34585 ?        ?        ?         ?        
1 1 1 1  10 19 o 89.62814 11.70965 83.39383   20.99029 83.39383   20.99029 ?          ?        89.62814 11.70965 ?        ?        ?         ?        
1 1 1 1  10 20 o 165.6830 7.361683 279.6813   24.39412 279.6813   24.39412 ?          ?        165.6830 7.361683 ?        ?        ?         ?        
1 1 1 1  11 0  o 159.6233 3.914650 255.2872   12.48071 255.2872   12.48071 255.2872   12.48071 159.6233 3.914650 159.6233 3.914650 -0.000000 0.000000 
1 1 1 1  11 1  o 717.7012 10.63152 5160.206   152.6050 5160.206   152.6050 ?          ?        717.7012 10.63152 ?        ?        ?         ?        
1 1 1 1  11 2  o 737.6091 12.45964 5452.368   183.8068 5452.368   183.8068 ?          ?        737.6091 12.45964 ?        ?        ?         ?        
1 1 1 1  11 3  o 562.8787 8.415662 3170.668   94.73994 3170.668   94.73994 ?          ?        562.8787 8.415662 ?        ?        ?         ?        
1 1 1 1  11 4  o 414.6234 7.320092 1720.069   60.70163 1720.069   60.70163 ?          ?        414.6234 7.320092 ?        ?        ?         ?        
1 1 1 1  11 5  o 351.0485 5.494503 1233.321   38.57674 1233.321   38.57674 ?          ?        351.0485 5.494503 ?        ?        ?         ?        
1 1 1 1  11 6  o 202.0658 3.509408 408.4596   14.18262 408.4596   14.18262 ?          ?        202.0658 3.509408 ?        ?        ?         ?        
1 1 1 1  11 7  o 303.1310 4.865860 919.6014   29.49986 919.6014   29.49986 ?          ?        303.1310 4.865860 ?        ?        ?         ?        
1 1 1 1  11 8  o 140.0674 3.645204 196.2875   10.21149 196.2875   10.21149 ?          ?        140.0674 3.645204 ?        ?        ?         ?        
1 1 1 1  11 9  o 441.2475 8.999790 1951.529   79.42269 1951.529   79.42269 ?          ?        441.2475 8.999790 ?        ?        ?         ?        
1 1 1 1  11 10 o 390.2863 7.994585 1524.916   62.40355 1524.916   62.40355 ?          ?        390.2863 7.994585 ?        ?        ?         ?        
1 1 1 1  11 11 o 753.8336 15.01357 5709.357   226.3547 5709.357   226.3547 ?          ?        753.8336 15.01357 ?        ?        ?         ?        
1 1 1 1  11 12 o 318.4487 7.304003 1015.476   46.51900 1015.476   46.51900 ?          ?        318.4487 7.304003 ?        ?        ?         ?        
1 1 1 1  11 13 o 166.7990 6.122033 278.5467   20.42298 278.5467   20.42298 ?          ?        166.7990 6.122033 ?        ?        ?         ?        
1 1 1 1  11 14 o 689.8288 16.11875 4804.506   222.3835 4804.506   222.3835 ?          ?        689.8288 16.11875 ?        ?        ?         ?        
1 1 1 1  11 15 o 297.8599 7.713644 890.1014   45.95170 890.1014   45.95170 ?          ?        297.8599 7.713644 ?        ?        ?         ?        
1 1 1 1  11 16 o 227.2088 6.991164 518.5167   31.76908 518.5167   31.76908 ?          ?        227.2088 6.991164 ?        ?        ?         ?        
1 1 1 1  11 17 o 94.05525 9.650582 89.63419   18.15376 89.63419   18.15376 ?          ?        94.05525 9.650582 ?        ?        ?         ?        
1 1 1 1  11 18 o 30.06919 13.75573 -11.91340  18.72106 -11.91340  18.72106 ?          ?        30.06919 13.75573 ?        ?        ?         ?        
1 1 1 1  11 19 o 150.5086 7.161582 229.7585   21.55759 229.7585   21.55759 ?          ?        150.5086 7.161582 ?        ?        ?         ?        
1 1 1 1  11 20 o 163.3212 6.947106 271.1718   22.69220 271.1718   22.69220 ?          ?        163.3212 6.947106 ?        ?        ?         ?        
1 1 1 1  12 0  o 197.5172 4.745178 390.8731   18.72106 390.8731   18.72106 390.8731   18.72106 197.5172 4.745178 197.5172 4.745178 -0.000000 0.000000 
1 1 1 1  12 1  o 311.5916 4.824772 971.2261   30.06716 971.2261   30.06716 ?          ?        311.5916 4.824772 ?        ?        ?         ?        
1 1 1 1  12 2  o 420.8752 6.402608 1772.261   53.89397 1772.261   53.89397 ?          ?        420.8752 6.402608 ?        ?        ?         ?        
1 1 1 1  12 3  o 628.5519 9.341482 3954.115   117.4321 3954.115   117.4321 ?          ?        628.5519 9.341482 ?        ?        ?         ?        
1 1 1 1  12 4  o 339.4649 5.347757 1152.764   36.30752 1152.764   36.30752 ?          ?        339.4649 5.347757 ?        ?        ?         ?        
1 1 1 1  12 5  o 437.6405 6.675846 1917.491   58.43241 1917.491   58.43241 ?          ?        437.6405 6.675846 ?        ?        ?         ?        
1 1 1 1  12 6  o 174.9977 3.241786 306.3447   11.34610 306.3447   11.34610 ?          ?        174.9977 3.241786 ?        ?        ?         ?        
1 1 1 1  12 7  o 228.3967 3.974173 521.9205   18.15376 521.9205   18.15376 ?          ?        228.3967 3.974173 ?        ?        ?         ?        
1 1 1 1  12 8  o 52.69870 4.844280 27.79794   5.105744 27.79794   5.105744 ?          ?        52.69870 4.844280 ?        ?        ?         ?        
1 1 1 1  12 9  o 395.0530 9.334146 1564.627   73.74965 1564.627   73.74965 ?          ?        395.0530 9.334146 ?        ?        ?         ?        
1 1 1 1  12 10 o 394.7263 8.695126 1560.089   68.64390 1560.089   68.64390 ?          ?        394.7263 8.695126 ?        ?        ?         ?        
1 1 1 1  12 11 o 360.2839 7.951757 1299.696   57.29780 1299.696   57.29780 ?          ?        360.2839 7.951757 ?        ?        ?         ?        
1 1 1 1  12 12 o 433.0061 9.629638 1879.481   83.39383 1879.481   83.39383 ?          ?        433.0061 9.629638 ?        ?        ?         ?        
1 1 1 1  12 13 o 213.4601 5.581091 456.1132   23.82681 456.1132   23.82681 ?          ?        213.4601 5.581091 ?        ?        ?         ?        
1 1 1 1  12 14 o 1072.469 27.40069 11832.85   587.7280 11832.85   587.7280 ?          ?        1072.469 27.40069 ?        ?        ?         ?        
1 1 1 1  12 15 o 241.1714 8.115398 583.7568   39.14404 583.7568   39.14404 ?          ?        241.1714 8.115398 ?        ?        ?         ?        
1 1 1 1  12 16 o 62.12615 14.41941 40.84595   17.58645 40.84595   17.58645 ?          ?        62.12615 14.41941 ?        ?        ?         ?        
1 1 1 1  12 17 o 232.8315 7.309643 546.3147   34.03830 546.3147   34.03830 ?          ?        232.8315 7.309643 ?        ?        ?         ?        
1 1 1 1  12 18 o 123.2686 7.593605 153.7396   18.72106 153.7396   18.72106 ?          ?        123.2686 7.593605 ?        ?        ?         ?        
1 1 1 1  12 19 o 93.84222 9.370225 90.20149   17.58645 90.20149   17.58645 ?          ?        93.84222 9.370225 ?        ?        ?         ?        
1 1 1 1  13 0  o 112.5569 3.535787 127.0763   7.942269 127.0763   7.942269 127.0763   7.942269 112.5569 3.535787 112.5569 3.535787 -0.000000 0.000000 
1 1 1 1  13 1  o 737.5537 10.92223 5448.397   161.1146 5448.397   161.1146 ?          ?        737.5537 10.92223 ?        ?        ?         ?        
1 1 1 1  13 2  o 728.2726 10.71089 5310.542   156.0089 5310.542   156.0089 ?          ?        728.2726 10.71089 ?        ?        ?         ?        
1 1 1 1  13 3  o 939.5224 13.73697 8842.582   258.1238 8842.582   258.1238 ?          ?        939.5224 13.73697 ?        ?        ?         ?        
1 1 1 1  13 4  o 351.8295 5.482306 1238.427   38.57674 1238.427   38.57674 ?          ?        351.8295 5.482306 ?        ?        ?         ?        
1 1 1 1  13 5  o 377.3354 5.938628 1425.070   44.81709 1425.070   44.81709 ?          ?        377.3354 5.938628 ?        ?        ?         ?        
1 1 1 1  13 6  o 123.9739 2.974402 153.7396   7.374964 153.7396   7.374964 ?          ?        123.9739 2.974402 ?        ?        ?         ?        
1 1 1 1  13 7  o 447.7326 6.842135 2007.692   61.26894 2007.692   61.26894 ?          ?        447.7326 6.842135 ?        ?        ?         ?        
1 1 1 1  13 8  o 372.9974 5.855602 1393.301   43.68248 1393.301   43.68248 ?          ?        372.9974 5.855602 ?        ?        ?         ?        
1 1 1 1  13 9  o 591.1255 13.77174 3512.752   162.8165 3512.752   162.8165 ?          ?        591.1255 13.77174 ?        ?        ?         ?        
1 1 1 1  13 10 o 313.5742 7.688917 984.2742   48.22092 984.2742   48.22092 ?          ?        313.5742 7.688917 ?        ?        ?         ?        
1 1 1 1  13 11 o 493.9348 9.992316 2444.517   98.71106 2444.517   98.71106 ?          ?        493.9348 9.992316 ?        ?        ?         ?        
1 1 1 1  13 12 o 390.6791 8.712597 1529.454   68.07660 1529.454   68.07660 ?          ?        390.6791 8.712597 ?        ?        ?         ?        
1 1 1 1  13 13 o 263.2996 6.894716 694.3813   36.30752 694.3813   36.30752 ?          ?        263.2996 6.894716 ?        ?        ?         ?        
1 1 1 1  13 14 o 615.8336 13.49556 3820.232   166.2204 3820.232   166.2204 ?          ?        615.8336 13.49556 ?        ?        ?         ?        
1 1 1 1  13 15 o 225.9451 6.402564 511.7091   28.93255 511.7091   28.93255 ?          ?        225.9451 6.402564 ?        ?        ?         ?        
1 1 1 1  13 16 o 223.5455 6.344400 501.4976   28.36525 501.4976   28.36525 ?          ?        223.5455 6.344400 ?        ?        ?         ?        
1 1 1 1  13 17 o 134.8611 7.151199 183.2395   19.28837 183.2395   19.28837 ?          ?        134.8611 7.151199 ?        ?        ?         ?        
1 1 1 1  13 18 o 64.80791 12.70812 44.81709   15.88454 44.81709   15.88454 ?          ?        64.80791 12.70812 ?        ?        ?         ?        
1 1 1 1  13 19 o 90.76776 9.687610 84.52843   17.58645 84.52843   17.58645 ?          ?        90.76776 9.687610 ?        ?        ?         ?        
1 1 1 1  14 0  o 693.7896 14.56919 4826.063   201.9606 4826.063   201.9606 4826.063   201.9606 693.7896 14.56919 693.7896 14.56919 -0.000000 0.000000 
1 1 1 1  14 1  o 979.0756 14.25396 9608.443   279.1140 9608.443   279.1140 ?          ?        979.0756 14.25396 ?        ?        ?         ?        
1 1 1 1  14 2  o 429.9433 6.993286 1849.414   60.13433 1849.414   60.13433 ?          ?        429.9433 6.993286 ?        ?        ?         ?        
1 1 1 1  14 3  o 151.0088 3.005414 228.0566   9.076880 228.0566   9.076880 ?          ?        151.0088 3.005414 ?        ?        ?         ?        
1 1 1 1  14 4  o 207.4771 3.554591 430.5845   14.74993 430.5845   14.74993 ?          ?        207.4771 3.554591 ?        ?        ?         ?        
1 1 1 1  14 5  o 376.5039 5.951744 1418.830   44.81709 1418.830   44.81709 ?          ?        376.5039 5.951744 ?        ?        ?         ?        
1 1 1 1  14 6  o 174.3442 3.416633 304.0754   11.91340 304.0754   11.91340 ?          ?        174.3442 3.416633 ?        ?        ?         ?        
1 1 1 1  14 7  o 487.0438 7.512912 2376.440   73.18234 2376.440   73.18234 ?          ?        487.0438 7.512912 ?        ?        ?         ?        
1 1 1 1  14 8  o 85.19080 3.662576 72.61504   6.240355 72.61504   6.240355 ?          ?        85.19080 3.662576 ?        ?        ?         ?        
1 1 1 1  14 9  o 106.7628 3.985271 114.0283   8.509575 114.0283   8.509575 ?          ?        106.7628 3.985271 ?        ?        ?         ?        
1 1 1 1  14 10 o 456.0108 9.268250 2082.577   84.52843 2082.577   84.52843 ?          ?        456.0108 9.268250 ?        ?        ?         ?        
1 1 1 1  14 11 o 131.0860 4.111345 171.8934   10.77879 171.8934   10.77879 ?          ?        131.0860 4.111345 ?        ?        ?         ?        
1 1 1 1  14 12 o 524.9492 11.50930 2766.179   120.8360 2766.179   120.8360 ?          ?        524.9492 11.50930 ?        ?        ?         ?        
1 1 1 1  14 13 o 506.9253 11.24705 2581.238   114.0283 2581.238   114.0283 ?          ?        506.9253 11.24705 ?        ?        ?         ?        
1 1 1 1  14 14 o 316.2468 7.354858 1002.428   46.51900 1002.428   46.51900 ?          ?        316.2468 7.354858 ?        ?        ?         ?        
1 1 1 1  14 15 o 194.3109 5.985125 378.3924   23.25950 378.3924   23.25950 ?          ?        194.3109 5.985125 ?        ?        ?         ?        
1 1 1 1  14 16 o 211.8153 6.695749 450.4402   28.36525 450.4402   28.36525 ?          ?        211.8153 6.695749 ?        ?        ?         ?        
1 1 1 1  14 17 o 236.5616 6.714758 563.3339   31.76908 563.3339   31.76908 ?          ?        236.5616 6.714758 ?        ?        ?         ?        
1 1 1 1  14 18 o 63.10044 12.58298 42.54787   15.31723 42.54787   15.31723 ?          ?        63.10044 12.58298 ?        ?        ?         ?        
1 1 1 1  14 19 o 44.24410 12.75947 20.99029   11.91340 20.99029   11.91340 ?          ?        44.24410 12.75947 ?        ?        ?         ?        
1 1 1 1  15 0  o 785.4874 16.19335 6186.461   254.1526 6186.461   254.1526 6186.461   254.1526 785.4874 16.19335 785.4874 16.19335 -0.000000 0.000000 
1 1 1 1  15 1  o 536.5508 8.035618 2880.774   86.23035 2880.774   86.23035 ?          ?        536.5508 8.035618 ?        ?        ?         ?        
1 1 1 1  15 2  o 764.2950 11.20811 5848.347   171.3261 5848.347   171.3261 ?          ?        764.2950 11.20811 ?        ?        ?         ?        
1 1 1 1  15 3  o 170.7516 3.156278 291.5948   10.77879 291.5948   10.77879 ?          ?        170.7516 3.156278 ?        ?        ?         ?        
1 1 1 1  15 4  o 376.9581 5.869325 1422.234   44.24979 1422.234   44.24979 ?          ?        376.9581 5.869325 ?        ?        ?         ?        
1 1 1 1  15 5  o 435.6739 6.705981 1900.472   58.43241 1900.472   58.43241 ?          ?        435.6739 6.705981 ?        ?        ?         ?        
1 1 1 1  15 6  o 245.5038 4.043863 603.0452   19.85567 603.0452   19.85567 ?          ?        245.5038 4.043863 ?        ?        ?         ?        
1 1 1 1  15 7  o 181.8241 3.588087 330.7388   13.04801 330.7388   13.04801 ?          ?        181.8241 3.588087 ?        ?        ?         ?        
1 1 1 1  15 8  o 576.9962 9.340439 3339.725   107.7879 3339.725   107.7879 ?          ?        576.9962 9.340439 ?        ?        ?         ?        
1 1 1 1  15 9  o 501.3635 10.18372 2519.401   102.1149 2519.401   102.1149 ?          ?        501.3635 10.18372 ?        ?        ?         ?        
1 1 1 1  15 10 o 165.3200 5.147335 273.4410   17.01915 273.4410   17.01915 ?          ?        165.3200 5.147335 ?        ?        ?         ?        
1 1 1 1  15 11 o 222.9731 5.851833 497.5265   26.09603 497.5265   26.09603 ?          ?        222.9731 5.851833 ?        ?        ?         ?        
1 1 1 1  15 12 o 168.8513 5.375666 285.3544   18.15376 285.3544   18.15376 ?          ?        168.8513 5.375666 ?        ?        ?         ?        
1 1 1 1  15 13 f 306.3958 7.221018 940.5916   44.24979 940.5916   44.24979 ?          ?        306.3958 7.221018 ?        ?        ?         ?        
1 1 1 1  15 14 o 66.85710 7.636802 44.81709   10.21149 44.81709   10.21149 ?          ?        66.85710 7.636802 ?        ?        ?         ?        
1 1 1 1  15 15 o 221.9662 6.645123 494.1226   29.49986 494.1226   29.49986 ?          ?        221.9662 6.645123 ?        ?        ?         ?        
1 1 1 1  15 16 o 134.0914 5.923029 180.4030   15.88454 180.4030   15.88454 ?          ?        134.0914 5.923029 ?        ?        ?         ?        
1 1 1 1  15 17 o 261.1038 7.169969 687.0063   37.44213 687.0063   37.44213 ?          ?        261.1038 7.169969 ?        ?        ?         ?        
1 1 1 1  15 18 o 126.1803 6.069583 160.5473   15.31723 160.5473   15.31723 ?          ?        126.1803 6.069583 ?        ?        ?         ?        
1 1 1 1  15 19 f 90.06375 6.928820 82.25922   12.48071 82.25922   12.48071 ?          ?        90.06375 6.928820 ?        ?        ?         ?        
1 1 1 1  16 0  o 972.4522 20.23348 9487.607   393.1424 9487.607   393.1424 9487.607   393.1424 972.4522 20.23348 972.4522 20.23348 -0.000000 0.000000 
1 1 1 1  16 1  o 476.0102 7.150750 2266.951   68.07660 2266.951   68.07660 ?          ?        476.0102 7.150750 ?        ?        ?         ?        
1 1 1 1  16 2  o 1005.039 14.61954 10121.86   293.8640 10121.86   293.8640 ?          ?        1005.039 14.61954 ?        ?        ?         ?        
1 1 1 1  16 3  o 200.8153 3.672511 403.3539   14.74993 403.3539   14.74993 ?          ?        200.8153 3.672511 ?        ?        ?         ?        
1 1 1 1  16 4  o 139.0699 3.059460 193.4510   8.509575 193.4510   8.509575 ?          ?        139.0699 3.059460 ?        ?        ?         ?        
1 1 1 1  16 5  o 450.5146 6.988770 2032.654   62.97085 2032.654   62.97085 ?          ?        450.5146 6.988770 ?        ?        ?         ?        
1 1 1 1  16 6  o 640.7023 9.607050 4117.500   123.1052 4117.500   123.1052 ?          ?        640.7023 9.607050 ?        ?        ?         ?        
1 1 1 1  16 7  o 521.4391 7.942110 2724.766   82.82652 2724.766   82.82652 ?          ?        521.4391 7.942110 ?        ?        ?         ?        
1 1 1 1  16 8  o 547.7897 9.475973 3008.986   103.8168 3008.986   103.8168 ?          ?        547.7897 9.475973 ?        ?        ?         ?        
1 1 1 1  16 9  o 381.5193 7.955251 1457.406   60.70163 1457.406   60.70163 ?          ?        381.5193 7.955251 ?        ?        ?         ?        
1 1 1 1  16 10 o 490.9452 9.937613 2415.017   97.57646 2415.017   97.57646 ?          ?        490.9452 9.937613 ?        ?        ?         ?        
1 1 1 1  16 11 o 449.7421 11.54182 2028.683   103.8168 2028.683   103.8168 ?          ?        449.7421 11.54182 ?        ?        ?         ?        
1 1 1 1  16 12 o 799.0403 17.39458 6443.450   277.9794 6443.450   277.9794 ?          ?        799.0403 17.39458 ?        ?        ?         ?        
1 1 1 1  16 13 o 548.2907 12.98522 3025.437   142.3935 3025.437   142.3935 ?          ?        548.2907 12.98522 ?        ?        ?         ?        
1 1 1 1  16 14 o 284.4092 7.878981 811.2461   44.81709 811.2461   44.81709 ?          ?        284.4092 7.878981 ?        ?        ?         ?        
1 1 1 1  16 15 o 151.8077 5.231796 230.8931   15.88454 230.8931   15.88454 ?          ?        151.8077 5.231796 ?        ?        ?         ?        
1 1 1 1  16 16 o 90.83906 5.932907 82.82652   10.77879 82.82652   10.77879 ?          ?        90.83906 5.932907 ?        ?        ?         ?        
1 1 1 1  16 17 o 216.1221 6.037335 469.7285   26.09603 469.7285   26.09603 ?          ?        216.1221 6.037335 ?        ?        ?         ?        
1 1 1 1  16 18 o 77.12457 6.987913 60.13433   10.77879 60.13433   10.77879 ?          ?        77.12457 6.987913 ?        ?        ?         ?        
1 1 1 1  16 19 o 38.31350 12.00133 15.31723   10.21149 15.31723   10.21149 ?          ?        38.31350 12.00133 ?        ?        ?         ?        
1 1 1 1  17 0  o 1842.128 37.62169 34201.11   1384.792 34201.11   1384.792 34201.11   1384.792 1842.128 37.62169 1842.128 37.62169 -0.000000 0.000000 
1 1 1 1  17 1  o 833.2773 12.25461 6953.456   204.2298 6953.456   204.2298 ?          ?        833.2773 12.25461 ?        ?        ?         ?        
1 1 1 1  17 2  o 806.4946 12.69674 6516.632   204.7971 6516.632   204.7971 ?          ?        806.4946 12.69674 ?        ?        ?         ?        
1 1 1 1  17 3  o 97.90424 3.186969 95.87454   6.240355 95.87454   6.240355 ?          ?        97.90424 3.186969 ?        ?        ?         ?        
1 1 1 1  17 4  o 421.9031 6.521472 1781.905   55.02858 1781.905   55.02858 ?          ?        421.9031 6.521472 ?        ?        ?         ?        
1 1 1 1  17 5  f 114.7043 3.214771 131.6148   7.374964 131.6148   7.374964 ?          ?        114.7043 3.214771 ?        ?        ?         ?        
1 1 1 1  17 6  o 24.90231 8.518659 5.673049   5.105744 5.673049   5.105744 ?          ?        24.90231 8.518659 ?        ?        ?         ?        
1 1 1 1  17 7  o 428.4487 6.686659 1838.635   57.29780 1838.635   57.29780 ?          ?        428.4487 6.686659 ?        ?        ?         ?        
1 1 1 1  17 8  o 55.82950 6.096830 31.20177   6.807660 31.20177   6.807660 ?          ?        55.82950 6.096830 ?        ?        ?         ?        
1 1 1 1  17 9  o 335.9227 7.092943 1129.504   47.65361 1129.504   47.65361 ?          ?        335.9227 7.092943 ?        ?        ?         ?        
1 1 1 1  17 10 o 989.8979 19.71445 9880.183   390.3058 9880.183   390.3058 ?          ?        989.8979 19.71445 ?        ?        ?         ?        
1 1 1 1  17 11 o 633.2408 17.60395 4039.211   222.9509 4039.211   222.9509 ?          ?        633.2408 17.60395 ?        ?        ?         ?        
1 1 1 1  17 12 f 267.4727 7.105294 716.5062   38.00943 716.5062   38.00943 ?          ?        267.4727 7.105294 ?        ?        ?         ?        
1 1 1 1  17 13 o 94.31716 5.714121 89.06688   10.77879 89.06688   10.77879 ?          ?        94.31716 5.714121 ?        ?        ?         ?        
1 1 1 1  17 14 o 234.6190 6.165860 551.4204   28.93255 551.4204   28.93255 ?          ?        234.6190 6.165860 ?        ?        ?         ?        
1 1 1 1  17 15 o 104.5189 5.699161 109.4899   11.91340 109.4899   11.91340 ?          ?        104.5189 5.699161 ?        ?        ?         ?        
1 1 1 1  17 16 o 137.4164 5.366872 189.4799   14.74993 189.4799   14.74993 ?          ?        137.4164 5.366872 ?        ?        ?         ?        
1 1 1 1  17 17 o 91.99332 5.858466 85.09574   10.77879 85.09574   10.77879 ?          ?        91.99332 5.858466 ?        ?        ?         ?        
1 1 1 1  17 18 o 204.1032 5.836950 419.8057   23.82681 419.8057   23.82681 ?          ?        204.1032 5.836950 ?        ?        ?         ?        
1 1 1 1  17 19 o 161.5780 6.319851 264.3641   20.42298 264.3641   20.42298 ?          ?        161.5780 6.319851 ?        ?        ?         ?        
1 1 1 1  18 0  o 1432.439 29.41390 20637.99   841.8805 20637.99   841.8805 20637.99   841.8805 1432.439 29.41390 1432.439 29.41390 -0.000000 0.000000 
1 1 1 1  18 1  o 627.4630 9.357695 3941.068   117.4321 3941.068   117.4321 ?          ?        627.4630 9.357695 ?        ?        ?         ?        
1 1 1 1  18 2  o 139.0756 3.059334 193.4510   8.509575 193.4510   8.509575 ?          ?        139.0756 3.059334 ?        ?        ?         ?        
1 1 1 1  18 3  o 186.6023 3.648220 348.3253   13.61532 348.3253   13.61532 ?          ?        186.6023 3.648220 ?        ?        ?         ?        
1 1 1 1  18 4  f 570.4311 8.602594 3260.302   98.14376 3260.302   98.14376 ?          ?        570.4311 8.602594 ?        ?        ?         ?        
1 1 1 1  18 5  o 236.3240 4.080916 558.7954   19.28837 558.7954   19.28837 ?          ?        236.3240 4.080916 ?        ?        ?         ?        
1 1 1 1  18 6  o 603.6685 9.115695 3654.011   110.0572 3654.011   110.0572 ?          ?        603.6685 9.115695 ?        ?        ?         ?        
1 1 1 1  18 7  o 425.2292 6.670580 1811.405   56.73050 1811.405   56.73050 ?          ?        425.2292 6.670580 ?        ?        ?         ?        
1 1 1 1  18 8  o 82.82448 4.794639 68.64390   7.942269 68.64390   7.942269 ?          ?        82.82448 4.794639 ?        ?        ?         ?        
1 1 1 1  18 9  o 230.7451 5.285945 532.6994   24.39412 532.6994   24.39412 ?          ?        230.7451 5.285945 ?        ?        ?         ?        
1 1 1 1  18 10 o 173.3587 4.581408 300.6716   15.88454 300.6716   15.88454 ?          ?        173.3587 4.581408 ?        ?        ?         ?        
1 1 1 1  18 11 o 624.1991 17.40453 3925.183   217.2778 3925.183   217.2778 ?          ?        624.1991 17.40453 ?        ?        ?         ?        
1 1 1 1  18 12 o 661.3816 18.35601 4418.171   242.8065 4418.171   242.8065 ?          ?        661.3816 18.35601 ?        ?        ?         ?        
1 1 1 1  18 13 o 144.9958 5.477587 210.4701   15.88454 210.4701   15.88454 ?          ?        144.9958 5.477587 ?        ?        ?         ?        
1 1 1 1  18 14 o 427.3948 9.623330 1834.097   82.25922 1834.097   82.25922 ?          ?        427.3948 9.623330 ?        ?        ?         ?        
1 1 1 1  18 15 o 72.11993 7.079519 52.19205   10.21149 52.19205   10.21149 ?          ?        72.11993 7.079519 ?        ?        ?         ?        
1 1 1 1  18 16 o 249.1763 6.374819 624.0355   31.76908 624.0355   31.76908 ?          ?        249.1763 6.374819 ?        ?        ?         ?        
1 1 1 1  18 17 o 232.9660 6.331364 546.3147   29.49986 546.3147   29.49986 ?          ?        232.9660 6.331364 ?        ?        ?         ?        
1 1 1 1  18 18 o 91.06252 7.164317 83.96114   13.04801 83.96114   13.04801 ?          ?        91.06252 7.164317 ?        ?        ?         ?        
1 1 1 1  18 19 o 228.6774 6.946267 530.9974   31.76908 530.9974   31.76908 ?          ?        228.6774 6.946267 ?        ?        ?         ?        
1 1 1 1  19 0  o 240.0862 5.678067 577.5164   27.23064 577.5164   27.23064 577.5164   27.23064 240.0862 5.678067 240.0862 5.678067 -0.000000 0.000000 
1 1 1 1  19 1  o 170.5808 3.159439 291.0274   10.77879 291.0274   10.77879 ?          ?        170.5808 3.159439 ?        ?        ?         ?        
1 1 1 1  19 2  o 508.6951 7.694991 2591.449   78.28809 2591.449   78.28809 ?          ?        508.6951 7.694991 ?        ?        ?         ?        
1 1 1 1  19 3  o 297.0190 4.870489 882.7266   28.93255 882.7266   28.93255 ?          ?        297.0190 4.870489 ?        ?        ?         ?        
1 1 1 1  19 4  o 237.4040 4.181832 563.9012   19.85567 563.9012   19.85567 ?          ?        237.4040 4.181832 ?        ?        ?         ?        
1 1 1 1  19 5  o 239.4204 4.146613 573.5453   19.85567 573.5453   19.85567 ?          ?        239.4204 4.146613 ?        ?        ?         ?        
1 1 1 1  19 6  o 896.3257 15.31673 8094.875   274.5756 8094.875   274.5756 ?          ?        896.3257 15.31673 ?        ?        ?         ?        
1 1 1 1  19 7  o 69.41135 4.495198 48.22092   6.240355 48.22092   6.240355 ?          ?        69.41135 4.495198 ?        ?        ?         ?        
1 1 1 1  19 8  o 331.4379 8.044744 1100.572   53.32666 1100.572   53.32666 ?          ?        331.4379 8.044744 ?        ?        ?         ?        
1 1 1 1  19 9  o 343.9287 7.340205 1183.965   50.49014 1183.965   50.49014 ?          ?        343.9287 7.340205 ?        ?        ?         ?        
1 1 1 1  19 10 o 731.5074 15.62690 5379.186   228.6239 5379.186   228.6239 ?          ?        731.5074 15.62690 ?        ?        ?         ?        
1 1 1 1  19 11 o 583.6705 18.22427 3435.031   212.7394 3435.031   212.7394 ?          ?        583.6705 18.22427 ?        ?        ?         ?        
1 1 1 1  19 12 o 242.2091 7.846410 587.7280   38.00943 587.7280   38.00943 ?          ?        242.2091 7.846410 ?        ?        ?         ?        
1 1 1 1  19 13 o 184.9956 5.826513 342.6522   21.55759 342.6522   21.55759 ?          ?        184.9956 5.826513 ?        ?        ?         ?        
1 1 1 1  19 14 o 590.3694 15.18273 3521.262   179.2684 3521.262   179.2684 ?          ?        590.3694 15.18273 ?        ?        ?         ?        
1 1 1 1  19 15 o 162.0807 5.425214 263.2295   17.58645 263.2295   17.58645 ?          ?        162.0807 5.425214 ?        ?        ?         ?        
1 1 1 1  19 16 o 67.59879 6.713789 45.95170   9.076880 45.95170   9.076880 ?          ?        67.59879 6.713789 ?        ?        ?         ?        
1 1 1 1  19 17 o 108.9960 6.766271 119.7014   14.74993 119.7014   14.74993 ?          ?        108.9960 6.766271 ?        ?        ?         ?        
1 1 1 1  19 18 o 185.4265 6.577839 347.7579   24.39412 347.7579   24.39412 ?          ?        185.4265 6.577839 ?        ?        ?         ?        
1 1 1 1  19 19 o 238.5120 6.897701 577.5164   32.90369 577.5164   32.90369 ?          ?        238.5120 6.897701 ?        ?        ?         ?        
1 1 1 1  20 0  o 258.5666 6.151037 669.9872   31.76908 669.9872   31.76908 669.9872   31.76908 258.5666 6.151037 258.5666 6.151037 -0.000000 0.000000 
1 1 1 1  20 1  o 174.8399 3.406947 305.7773   11.91340 305.7773   11.91340 ?          ?        174.8399 3.406947 ?        ?        ?         ?        
1 1 1 1  20 2  o 496.0012 7.548797 2463.806   74.88425 2463.806   74.88425 ?          ?        496.0012 7.548797 ?        ?        ?         ?        
1 1 1 1  20 3  o 232.1021 4.032937 538.9397   18.72106 538.9397   18.72106 ?          ?        232.1021 4.032937 ?        ?        ?         ?        
1 1 1 1  20 4  o 494.2568 7.518051 2447.354   74.31695 2447.354   74.31695 ?          ?        494.2568 7.518051 ?        ?        ?         ?        
1 1 1 1  20 5  o 285.7109 4.765419 816.9191   27.23064 816.9191   27.23064 ?          ?        285.7109 4.765419 ?        ?        ?         ?        
1 1 1 1  20 6  o 488.1908 7.553362 2387.786   73.74965 2387.786   73.74965 ?          ?        488.1908 7.553362 ?        ?        ?         ?        
1 1 1 1  20 7  f 185.0566 3.831969 342.6522   14.18262 342.6522   14.18262 ?          ?        185.0566 3.831969 ?        ?        ?         ?        
1 1 1 1  20 8  o 529.9867 10.75766 2817.237   114.0283 2817.237   114.0283 ?          ?        529.9867 10.75766 ?        ?        ?         ?        
1 1 1 1  20 9  o 323.3892 7.016994 1046.678   45.38440 1046.678   45.38440 ?          ?        323.3892 7.016994 ?        ?        ?         ?        
1 1 1 1  20 10 o 515.7902 10.50381 2666.333   108.3553 2666.333   108.3553 ?          ?        515.7902 10.50381 ?        ?        ?         ?        
1 1 1 1  20 11 o 344.4571 9.222943 1189.071   63.53815 1189.071   63.53815 ?          ?        344.4571 9.222943 ?        ?        ?         ?        
1 1 1 1  20 12 f 419.2828 10.89194 1764.318   91.33610 1764.318   91.33610 ?          ?        419.2828 10.89194 ?        ?        ?         ?        
1 1 1 1  20 13 o 118.7826 5.731191 141.2589   13.61532 141.2589   13.61532 ?          ?        118.7826 5.731191 ?        ?        ?         ?        
1 1 1 1  20 14 o 275.7014 6.893223 761.8906   38.00943 761.8906   38.00943 ?          ?        275.7014 6.893223 ?        ?        ?         ?        
1 1 1 1  20 15 o 183.0488 5.733522 335.8446   20.99029 335.8446   20.99029 ?          ?        183.0488 5.733522 ?        ?        ?         ?        
1 1 1 1  20 16 o 468.6445 11.31839 2230.643   106.0860 2230.643   106.0860 ?          ?        468.6445 11.31839 ?        ?        ?         ?        
1 1 1 1  20 17 o 24.75744 11.29068 -7.942269  12.48071 -7.942269  12.48071 ?          ?        24.75744 11.29068 ?        ?        ?         ?        
1 1 1 1  20 18 o 85.22363 7.655163 73.74965   13.04801 73.74965   13.04801 ?          ?        85.22363 7.655163 ?        ?        ?         ?        
1 1 1 1  20 19 o 184.7400 7.369992 347.1906   27.23064 347.1906   27.23064 ?          ?        184.7400 7.369992 ?        ?        ?         ?        
1 1 1 1  21 0  o 676.4605 14.18687 4594.035   191.7491 4594.035   191.7491 4594.035   191.7491 676.4605 14.18687 676.4605 14.18687 -0.000000 0.000000 
1 1 1 1  21 1  o 360.0446 5.751130 1297.426   41.41326 1297.426   41.41326 ?          ?        360.0446 5.751130 ?        ?        ?         ?        
1 1 1 1  21 2  o 202.7710 3.637091 411.2961   14.74993 411.2961   14.74993 ?          ?        202.7710 3.637091 ?        ?        ?         ?        
1 1 1 1  21 3  o 199.2371 3.701601 397.1135   14.74993 397.1135   14.74993 ?          ?        199.2371 3.701601 ?        ?        ?         ?        
1 1 1 1  21 4  o 542.2770 8.212304 2947.149   89.06688 2947.149   89.06688 ?          ?        542.2770 8.212304 ?        ?        ?         ?        
1 1 1 1  21 5  o 142.0827 3.593501 201.9606   10.21149 201.9606   10.21149 ?          ?        142.0827 3.593501 ?        ?        ?         ?        
1 1 1 1  21 6  o 628.1130 10.02540 3959.221   125.9417 3959.221   125.9417 ?          ?        628.1130 10.02540 ?        ?        ?         ?        
1 1 1 1  21 7  o 105.6932 3.757227 111.7591   7.942269 111.7591   7.942269 ?          ?        105.6932 3.757227 ?        ?        ?         ?        
1 1 1 1  21 8  o 204.9655 5.397223 420.3730   22.12490 420.3730   22.12490 ?          ?        204.9655 5.397223 ?        ?        ?         ?        
1 1 1 1  21 9  o 227.7789 5.230250 519.0840   23.82681 519.0840   23.82681 ?          ?        227.7789 5.230250 ?        ?        ?         ?        
1 1 1 1  21 10 o 295.6283 6.908330 874.7842   40.84595 874.7842   40.84595 ?          ?        295.6283 6.908330 ?        ?        ?         ?        
1 1 1 1  21 11 o 120.0005 4.963898 144.0954   11.91340 144.0954   11.91340 ?          ?        120.0005 4.963898 ?        ?        ?         ?        
1 1 1 1  21 12 o 800.7045 17.53556 6474.084   280.8159 6474.084   280.8159 ?          ?        800.7045 17.53556 ?        ?        ?         ?        
1 1 1 1  21 13 o 417.2874 11.01200 1749.001   91.90340 1749.001   91.90340 ?          ?        417.2874 11.01200 ?        ?        ?         ?        
1 1 1 1  21 14 o 298.0100 7.329029 890.6688   43.68248 890.6688   43.68248 ?          ?        298.0100 7.329029 ?        ?        ?         ?        
1 1 1 1  21 15 o 44.72031 10.87289 20.99029   9.644185 20.99029   9.644185 ?          ?        44.72031 10.87289 ?        ?        ?         ?        
1 1 1 1  21 16 o 242.0477 6.445378 588.8625   31.20177 588.8625   31.20177 ?          ?        242.0477 6.445378 ?        ?        ?         ?        
1 1 1 1  21 17 o 90.45556 5.644478 82.25922   10.21149 82.25922   10.21149 ?          ?        90.45556 5.644478 ?        ?        ?         ?        
1 1 1 1  21 18 o 32.66097 12.69839 7.374964   11.91340 7.374964   11.91340 ?          ?        32.66097 12.69839 ?        ?        ?         ?        
1 1 1 1  21 19 o 60.16615 13.52965 39.71135   15.88454 39.71135   15.88454 ?          ?        60.16615 13.52965 ?        ?        ?         ?        
1 1 1 1  22 0  o 339.0531 7.705587 1152.196   52.19205 1152.196   52.19205 1152.196   52.19205 339.0531 7.705587 339.0531 7.705587 -0.000000 0.000000 
1 1 1 1  22 1  o 174.8370 3.569241 305.7773   12.48071 305.7773   12.48071 ?          ?        174.8370 3.569241 ?        ?        ?         ?        
1 1 1 1  22 2  o 272.8485 4.470268 744.8714   24.39412 744.8714   24.39412 ?          ?        272.8485 4.470268 ?        ?        ?         ?        
1 1 1 1  22 3  o 96.72723 3.812248 93.60532   7.374964 93.60532   7.374964 ?          ?        96.72723 3.812248 ?        ?        ?         ?        
1 1 1 1  22 4  o 461.2874 7.071522 2131.365   65.24007 2131.365   65.24007 ?          ?        461.2874 7.071522 ?        ?        ?         ?        
1 1 1 1  22 5  o 239.0580 4.390207 571.8434   20.99029 571.8434   20.99029 ?          ?        239.0580 4.390207 ?        ?        ?         ?        
1 1 1 1  22 6  o 235.8203 4.330200 556.5261   20.42298 556.5261   20.42298 ?          ?        235.8203 4.330200 ?        ?        ?         ?        
1 1 1 1  22 7  o 192.8731 3.823740 372.1520   14.74993 372.1520   14.74993 ?          ?        192.8731 3.823740 ?        ?        ?         ?        
1 1 1 1  22 8  o 422.2198 8.733562 1785.309   73.74965 1785.309   73.74965 ?          ?        422.2198 8.733562 ?        ?        ?         ?        
1 1 1 1  22 9  o 245.0029 6.599185 600.7759   32.33638 600.7759   32.33638 ?          ?        245.0029 6.599185 ?        ?        ?         ?        
1 1 1 1  22 10 o 977.9625 19.51999 9640.213   381.7962 9640.213   381.7962 ?          ?        977.9625 19.51999 ?        ?        ?         ?        
1 1 1 1  22 11 o 77.50312 6.221804 60.13433   9.644185 60.13433   9.644185 ?          ?        77.50312 6.221804 ?        ?        ?         ?        
1 1 1 1  22 12 o 244.9379 6.369323 600.7759   31.20177 600.7759   31.20177 ?          ?        244.9379 6.369323 ?        ?        ?         ?        
1 1 1 1  22 13 o 177.2866 6.719855 314.8543   23.82681 314.8543   23.82681 ?          ?        177.2866 6.719855 ?        ?        ?         ?        
1 1 1 1  22 14 o 430.5059 9.751451 1863.029   83.96114 1863.029   83.96114 ?          ?        430.5059 9.751451 ?        ?        ?         ?        
1 1 1 1  22 15 f 65.46694 8.232243 43.11518   10.77879 43.11518   10.77879 ?          ?        65.46694 8.232243 ?        ?        ?         ?        
1 1 1 1  22 16 o 318.1628 9.182787 1023.418   58.43241 1023.418   58.43241 ?          ?        318.1628 9.182787 ?        ?        ?         ?        
1 1 1 1  22 17 o 107.8196 5.524691 116.8648   11.91340 116.8648   11.91340 ?          ?        107.8196 5.524691 ?        ?        ?         ?        
1 1 1 1  22 18 o 141.9836 6.392906 203.6625   18.15376 203.6625   18.15376 ?          ?        141.9836 6.392906 ?        ?        ?         ?        
1 1 1 1  22 19 o 121.7749 7.919680 151.4704   19.28837 151.4704   19.28837 ?          ?        121.7749 7.919680 ?        ?        ?         ?        
1 1 1 1  23 0  o 586.3885 12.44429 3450.349   145.7974 3450.349   145.7974 3450.349   145.7974 586.3885 12.44429 586.3885 12.44429 -0.000000 0.000000 
1 1 1 1  23 1  o 159.3960 3.381138 254.1526   10.77879 254.1526   10.77879 ?          ?        159.3960 3.381138 ?        ?        ?         ?        
1 1 1 1  23 2  o 439.7784 6.707892 1936.779   58.99971 1936.779   58.99971 ?          ?        439.7784 6.707892 ?        ?        ?         ?        
1 1 1 1  23 3  o 125.5593 3.388667 157.7108   8.509575 157.7108   8.509575 ?          ?        125.5593 3.388667 ?        ?        ?         ?        
1 1 1 1  23 4  o 146.9855 3.666618 216.1432   10.77879 216.1432   10.77879 ?          ?        146.9855 3.666618 ?        ?        ?         ?        
1 1 1 1  23 5  o 258.5362 4.498307 668.8526   23.25950 668.8526   23.25950 ?          ?        258.5362 4.498307 ?        ?        ?         ?        
1 1 1 1  23 6  o 277.4302 4.703169 770.4002   26.09603 770.4002   26.09603 ?          ?        277.4302 4.703169 ?        ?        ?         ?        
1 1 1 1  23 7  o 204.2588 5.138159 417.5364   20.99029 417.5364   20.99029 ?          ?        204.2588 5.138159 ?        ?        ?         ?        
1 1 1 1  23 8  o 946.0344 24.07660 9043.408   455.5459 9043.408   455.5459 ?          ?        946.0344 24.07660 ?        ?        ?         ?        
1 1 1 1  23 9  o 197.0797 4.893545 388.6039   19.28837 388.6039   19.28837 ?          ?        197.0797 4.893545 ?        ?        ?         ?        
1 1 1 1  23 10 o 200.9084 5.506213 403.9211   22.12490 403.9211   22.12490 ?          ?        200.9084 5.506213 ?        ?        ?         ?        
1 1 1 1  23 11 o 366.1952 8.520531 1343.945   62.40355 1343.945   62.40355 ?          ?        366.1952 8.520531 ?        ?        ?         ?        
1 1 1 1  23 12 o 400.4862 9.207513 1608.877   73.74965 1608.877   73.74965 ?          ?        400.4862 9.207513 ?        ?        ?         ?        
1 1 1 1  23 13 o 189.6625 5.832700 360.2386   22.12490 360.2386   22.12490 ?          ?        189.6625 5.832700 ?        ?        ?         ?        
1 1 1 1  23 14 o 48.79591 11.74938 24.96142   11.34610 24.96142   11.34610 ?          ?        48.79591 11.74938 ?        ?        ?         ?        
1 1 1 1  23 15 o 152.2684 5.961104 232.5950   18.15376 232.5950   18.15376 ?          ?        152.2684 5.961104 ?        ?        ?         ?        
1 1 1 1  23 16 o 191.7002 5.918669 369.3155   22.69220 369.3155   22.69220 ?          ?        191.7002 5.918669 ?        ?        ?         ?        
1 1 1 1  23 17 o 129.0075 5.496822 167.3549   14.18262 167.3549   14.18262 ?          ?        129.0075 5.496822 ?        ?        ?         ?        
1 1 1 1  23 18 o 42.14584 12.91525 18.72106   11.91340 18.72106   11.91340 ?          ?        42.14584 12.91525 ?        ?        ?         ?        
1 1 1 1  23 19 o 133.2094 8.091619 181.5376   21.55759 181.5376   21.55759 ?          ?        133.2094 8.091619 ?        ?        ?         ?        
1 1 1 1  24 0  o 419.5263 9.205169 1764.886   77.15348 1764.886   77.15348 1764.886   77.15348 419.5263 9.205169 419.5263 9.205169 -0.000000 0.000000 
1 1 1 1  24 1  o 72.21850 4.713239 52.19205   6.807660 52.19205   6.807660 ?          ?        72.21850 4.713239 ?        ?        ?         ?        
1 1 1 1  24 2  f 123.2762 3.681521 152.0377   9.076880 152.0377   9.076880 ?          ?        123.2762 3.681521 ?        ?        ?         ?        
1 1 1 1  24 3  o 172.8703 3.609848 298.9697   12.48071 298.9697   12.48071 ?          ?        172.8703 3.609848 ?        ?        ?         ?        
1 1 1 1  24 4  o 506.5769 8.847047 2572.728   89.63419 2572.728   89.63419 ?          ?        506.5769 8.847047 ?        ?        ?         ?        
1 1 1 1  24 5  o 169.0480 3.859263 285.9217   13.04801 285.9217   13.04801 ?          ?        169.0480 3.859263 ?        ?        ?         ?        
1 1 1 1  24 6  o 339.3360 5.600560 1152.764   38.00943 1152.764   38.00943 ?          ?        339.3360 5.600560 ?        ?        ?         ?        
1 1 1 1  24 7  o 139.2563 4.277512 194.0183   11.91340 194.0183   11.91340 ?          ?        139.2563 4.277512 ?        ?        ?         ?        
1 1 1 1  24 8  o 431.9574 10.30968 1869.270   89.06688 1869.270   89.06688 ?          ?        431.9574 10.30968 ?        ?        ?         ?        
1 1 1 1  24 9  o 173.3559 4.745107 300.6716   16.45185 300.6716   16.45185 ?          ?        173.3559 4.745107 ?        ?        ?         ?        
1 1 1 1  24 10 o 316.9409 7.338751 1005.832   46.51900 1005.832   46.51900 ?          ?        316.9409 7.338751 ?        ?        ?         ?        
1 1 1 1  24 11 o 169.6887 5.349137 288.1909   18.15376 288.1909   18.15376 ?          ?        169.6887 5.349137 ?        ?        ?         ?        
1 1 1 1  24 12 o 408.6627 9.995030 1676.386   81.69191 1676.386   81.69191 ?          ?        408.6627 9.995030 ?        ?        ?         ?        
1 1 1 1  24 13 o 128.3794 5.965611 165.0858   15.31723 165.0858   15.31723 ?          ?        128.3794 5.965611 ?        ?        ?         ?        
1 1 1 1  24 14 o 48.33192 13.15056 24.39412   13.04801 24.39412   13.04801 ?          ?        48.33192 13.15056 ?        ?        ?         ?        
1 1 1 1  24 15 o 246.8130 6.665713 611.5547   32.90369 611.5547   32.90369 ?          ?        246.8130 6.665713 ?        ?        ?         ?        
1 1 1 1  24 16 o 84.96420 6.343139 72.61504   10.77879 72.61504   10.77879 ?          ?        84.96420 6.343139 ?        ?        ?         ?        
1 1 1 1  24 17 o 167.6888 5.751241 283.0852   19.28837 283.0852   19.28837 ?          ?        167.6888 5.751241 ?        ?        ?         ?        
1 1 1 1  24 18 o 225.1575 7.054858 513.9783   31.76908 513.9783   31.76908 ?          ?        225.1575 7.054858 ?        ?        ?         ?        
1 1 1 1  24 19 f 65.90996 12.50312 47.08631   15.88454 47.08631   15.88454 ?          ?        65.90996 12.50312 ?        ?        ?         ?        
1 1 1 1  25 0  o 22.16268 12.83042 6.240355   9.076880 6.240355   9.076880 6.240355   9.076880 22.16268 12.83042 22.16268 12.83042 -0.000000 0.000000 
1 1 1 1  25 1  o 99.61258 3.986579 99.27837   7.942269 99.27837   7.942269 ?          ?        99.61258 3.986579 ?        ?        ?         ?        
1 1 1 1  25 2  o 426.8926 6.644586 1825.020   56.73050 1825.020   56.73050 ?          ?        426.8926 6.644586 ?        ?        ?         ?        
1 1 1 1  25 3  o 127.5696 3.779971 162.8165   9.644185 162.8165   9.644185 ?          ?        127.5696 3.779971 ?        ?        ?         ?        
1 1 1 1  25 4  o 135.9621 3.755271 184.9414   10.21149 184.9414   10.21149 ?          ?        135.9621 3.755271 ?        ?        ?         ?        
1 1 1 1  25 5  o 82.81857 4.452482 68.64390   7.374964 68.64390   7.374964 ?          ?        82.81857 4.452482 ?        ?        ?         ?        
1 1 1 1  25 6  o 305.0939 5.113471 931.5147   31.20177 931.5147   31.20177 ?          ?        305.0939 5.113471 ?        ?        ?         ?        
1 1 1 1  25 7  o 168.3699 5.222564 283.6525   17.58645 283.6525   17.58645 ?          ?        168.3699 5.222564 ?        ?        ?         ?        
1 1 1 1  25 8  o 206.2282 4.951549 425.4788   20.42298 425.4788   20.42298 ?          ?        206.2282 4.951549 ?        ?        ?         ?        
1 1 1 1  25 9  o 252.0949 5.738424 635.9489   28.93255 635.9489   28.93255 ?          ?        252.0949 5.738424 ?        ?        ?         ?        
1 1 1 1  25 10 o 269.4332 6.527204 726.7177   35.17290 726.7177   35.17290 ?          ?        269.4332 6.527204 ?        ?        ?         ?        
1 1 1 1  25 11 o 345.0717 8.055700 1193.042   55.59589 1193.042   55.59589 ?          ?        345.0717 8.055700 ?        ?        ?         ?        
1 1 1 1  25 12 o 190.5811 5.655753 363.6425   21.55759 363.6425   21.55759 ?          ?        190.5811 5.655753 ?        ?        ?         ?        
1 1 1 1  25 13 o 88.70012 7.035340 78.85539   12.48071 78.85539   12.48071 ?          ?        88.70012 7.035340 ?        ?        ?         ?        
1 1 1 1  25 14 o 280.2065 7.187315 787.9866   40.27865 787.9866   40.27865 ?          ?        280.2065 7.187315 ?        ?        ?         ?        
1 1 1 1  25 15 o 201.7171 6.187235 408.4596   24.96142 408.4596   24.96142 ?          ?        201.7171 6.187235 ?        ?        ?         ?        
1 1 1 1  25 16 o 155.9501 6.002260 244.5084   18.72106 244.5084   18.72106 ?          ?        155.9501 6.002260 ?        ?        ?         ?        
1 1 1 1  25 17 o 64.34015 7.935550 41.98057   10.21149 41.98057   10.21149 ?          ?        64.34015 7.935550 ?        ?        ?         ?        
1 1 1 1  25 18 o 136.1393 6.042283 187.2106   16.45185 187.2106   16.45185 ?          ?        136.1393 6.042283 ?        ?        ?         ?        
1 1 1 1  26 0  o 901.7568 18.73406 8189.047   337.5464 8189.047   337.5464 8189.047   337.5464 901.7568 18.73406 901.7568 18.73406 -0.000000 0.000000 
1 1 1 1  26 1  o 164.8062 3.786482 271.7391   12.48071 271.7391   12.48071 ?          ?        164.8062 3.786482 ?        ?        ?         ?        
1 1 1 1  26 2  o 216.2803 4.065663 468.0266   17.58645 468.0266   17.58645 ?          ?        216.2803 4.065663 ?        ?        ?         ?        
1 1 1 1  26 3  o 129.9962 3.491209 169.0569   9.076880 169.0569   9.076880 ?          ?        129.9962 3.491209 ?        ?        ?         ?        
1 1 1 1  26 4  o 448.7901 7.394847 2017.904   66.37468 2017.904   66.37468 ?          ?        448.7901 7.394847 ?        ?        ?         ?        
1 1 1 1  26 5  o 130.4157 3.914978 170.1915   10.21149 170.1915   10.21149 ?          ?        130.4157 3.914978 ?        ?        ?         ?        
1 1 1 1  26 6  o 481.4188 13.90515 2330.489   133.8840 2330.489   133.8840 ?          ?        481.4188 13.90515 ?        ?        ?         ?        
1 1 1 1  26 7  f 272.6935 6.969261 744.3041   38.00943 744.3041   38.00943 ?          ?        272.6935 6.969261 ?        ?        ?         ?        
1 1 1 1  26 8  o 1236.796 28.62220 15531.11   707.9966 15531.11   707.9966 ?          ?        1236.796 28.62220 ?        ?        ?         ?        
1 1 1 1  26 9  o 97.30801 5.246994 94.73994   10.21149 94.73994   10.21149 ?          ?        97.30801 5.246994 ?        ?        ?         ?        
1 1 1 1  26 10 o 275.7575 6.788959 761.3232   37.44213 761.3232   37.44213 ?          ?        275.7575 6.788959 ?        ?        ?         ?        
1 1 1 1  26 11 o 128.2102 5.309764 164.5184   13.61532 164.5184   13.61532 ?          ?        128.2102 5.309764 ?        ?        ?         ?        
1 1 1 1  26 12 o 513.0997 11.55397 2645.343   118.5667 2645.343   118.5667 ?          ?        513.0997 11.55397 ?        ?        ?         ?        
1 1 1 1  26 13 o 218.1034 6.372653 476.5362   27.79794 476.5362   27.79794 ?          ?        218.1034 6.372653 ?        ?        ?         ?        
1 1 1 1  26 14 o 131.7937 6.241515 174.1626   16.45185 174.1626   16.45185 ?          ?        131.7937 6.241515 ?        ?        ?         ?        
1 1 1 1  26 15 o 202.2764 7.432199 411.8634   30.06716 411.8634   30.06716 ?          ?        202.2764 7.432199 ?        ?        ?         ?        
1 1 1 1  26 16 o 254.8019 6.902010 654.1026   35.17290 654.1026   35.17290 ?          ?        254.8019 6.902010 ?        ?        ?         ?        
1 1 1 1  26 17 o 224.4469 6.318921 508.3052   28.36525 508.3052   28.36525 ?          ?        224.4469 6.318921 ?        ?        ?         ?        
1 1 1 1  26 18 o 201.1720 6.062999 409.0269   24.39412 409.0269   24.39412 ?          ?        201.1720 6.062999 ?        ?        ?         ?        
1 1 1 1  27 0  o 272.9025 6.556568 746.5733   35.74022 746.5733   35.74022 746.5733   35.74022 272.9025 6.556568 272.9025 6.556568 -0.000000 0.000000 
1 1 1 1  27 1  o 61.61552 5.984664 38.00943   7.374964 38.00943   7.374964 ?          ?        61.61552 5.984664 ?        ?        ?         ?        
1 1 1 1  27 2  o 1011.228 14.89472 10299.42   301.2389 10299.42   301.2389 ?          ?        1011.228 14.89472 ?        ?        ?         ?        
1 1 1 1  27 3  o 216.8008 4.186738 470.2958   18.15376 470.2958   18.15376 ?          ?        216.8008 4.186738 ?        ?        ?         ?        
1 1 1 1  27 4  o 928.5247 14.60229 8693.948   271.1718 8693.948   271.1718 ?          ?        928.5247 14.60229 ?        ?        ?         ?        
1 1 1 1  27 5  o 206.1987 4.677131 425.4788   19.28837 425.4788   19.28837 ?          ?        206.1987 4.677131 ?        ?        ?         ?        
1 1 1 1  27 6  o 415.8145 8.595230 1732.549   71.48043 1732.549   71.48043 ?          ?        415.8145 8.595230 ?        ?        ?         ?        
1 1 1 1  27 7  o 165.4905 5.313432 274.0083   17.58645 274.0083   17.58645 ?          ?        165.4905 5.313432 ?        ?        ?         ?        
1 1 1 1  27 8  o 527.4415 10.86335 2788.871   114.5956 2788.871   114.5956 ?          ?        527.4415 10.86335 ?        ?        ?         ?        
1 1 1 1  27 9  o 128.0110 4.874856 163.9511   12.48071 163.9511   12.48071 ?          ?        128.0110 4.874856 ?        ?        ?         ?        
1 1 1 1  27 10 o 312.8619 7.343768 980.3030   45.95170 980.3030   45.95170 ?          ?        312.8619 7.343768 ?        ?        ?         ?        
1 1 1 1  27 11 o 193.9790 5.849137 376.6905   22.69220 376.6905   22.69220 ?          ?        193.9790 5.849137 ?        ?        ?         ?        
1 1 1 1  27 12 o 151.4675 6.367167 229.7585   19.28837 229.7585   19.28837 ?          ?        151.4675 6.367167 ?        ?        ?         ?        
1 1 1 1  27 13 o 268.6292 6.969110 723.3138   37.44213 723.3138   37.44213 ?          ?        268.6292 6.969110 ?        ?        ?         ?        
1 1 1 1  27 14 o 17.09937 8.502427 -28.36525  11.34610 -28.36525  11.34610 ?          ?        17.09937 8.502427 ?        ?        ?         ?        
1 1 1 1  27 15 o 136.1400 7.500729 186.6433   20.42298 186.6433   20.42298 ?          ?        136.1400 7.500729 ?        ?        ?         ?        
1 1 1 1  27 16 o 96.38742 6.768526 93.60532   13.04801 93.60532   13.04801 ?          ?        96.38742 6.768526 ?        ?        ?         ?        
1 1 1 1  27 17 o 127.9219 6.208685 165.0858   15.88454 165.0858   15.88454 ?          ?        127.9219 6.208685 ?        ?        ?         ?        
1 1 1 1  27 18 o 82.58951 6.868971 69.21120   11.34610 69.21120   11.34610 ?          ?        82.58951 6.868971 ?        ?        ?         ?        
1 1 1 1  28 0  o 452.9800 9.967191 2058.182   90.20149 2058.182   90.20149 2058.182   90.20149 452.9800 9.967191 452.9800 9.967191 -0.000000 0.000000 
1 1 1 1  28 1  o 90.97694 4.676775 82.82652   8.509575 82.82652   8.509575 ?          ?        90.97694 4.676775 ?        ?        ?         ?        
1 1 1 1  28 2  o 763.9007 11.28816 5859.693   172.4607 5859.693   172.4607 ?          ?        763.9007 11.28816 ?        ?        ?         ?        
1 1 1 1  28 3  o 329.8604 5.417475 1089.226   35.74022 1089.226   35.74022 ?          ?        329.8604 5.417475 ?        ?        ?         ?        
1 1 1 1  28 4  o 456.8101 7.016643 2091.086   64.10546 2091.086   64.10546 ?          ?        456.8101 7.016643 ?        ?        ?         ?        
1 1 1 1  28 5  o 287.9940 4.924625 829.9672   28.36525 829.9672   28.36525 ?          ?        287.9940 4.924625 ?        ?        ?         ?        
1 1 1 1  28 6  o 273.4339 6.120492 748.2752   33.47099 748.2752   33.47099 ?          ?        273.4339 6.120492 ?        ?        ?         ?        
1 1 1 1  28 7  o 208.0041 5.182011 432.8537   21.55759 432.8537   21.55759 ?          ?        208.0041 5.182011 ?        ?        ?         ?        
1 1 1 1  28 8  o 606.9092 13.27337 3697.694   161.1146 3697.694   161.1146 ?          ?        606.9092 13.27337 ?        ?        ?         ?        
1 1 1 1  28 9  o 150.4050 5.091996 226.3547   15.31723 226.3547   15.31723 ?          ?        150.4050 5.091996 ?        ?        ?         ?        
1 1 1 1  28 10 o 871.8285 22.18911 7714.213   386.9020 7714.213   386.9020 ?          ?        871.8285 22.18911 ?        ?        ?         ?        
1 1 1 1  28 11 o 117.3483 5.559525 137.8551   13.04801 137.8551   13.04801 ?          ?        117.3483 5.559525 ?        ?        ?         ?        
1 1 1 1  28 12 o 477.9803 12.46223 2298.153   119.1340 2298.153   119.1340 ?          ?        477.9803 12.46223 ?        ?        ?         ?        
1 1 1 1  28 13 o 133.9658 6.140314 179.8357   16.45185 179.8357   16.45185 ?          ?        133.9658 6.140314 ?        ?        ?         ?        
1 1 1 1  28 14 o 594.3832 14.36437 3587.069   170.7588 3587.069   170.7588 ?          ?        594.3832 14.36437 ?        ?        ?         ?        
1 1 1 1  28 15 o 268.2292 7.085252 723.8811   38.00943 723.8811   38.00943 ?          ?        268.2292 7.085252 ?        ?        ?         ?        
1 1 1 1  28 16 o 158.3430 6.448970 252.4507   20.42298 252.4507   20.42298 ?          ?        158.3430 6.448970 ?        ?        ?         ?        
1 1 1 1  28 17 o 34.81213 12.89511 10.21149   11.91340 10.21149   11.91340 ?          ?        34.81213 12.89511 ?        ?        ?         ?        
1 1 1 1  28 18 o 198.8814 6.275454 400.5173   24.96142 400.5173   24.96142 ?          ?        198.8814 6.275454 ?        ?        ?         ?        
1 1 1 1  29 0  o 176.3420 5.480674 312.0177   19.28837 312.0177   19.28837 312.0177   19.28837 176.3420 5.480674 176.3420 5.480674 -0.000000 0.000000 
1 1 1 1  29 1  o 216.5420 4.060750 469.1612   17.58645 469.1612   17.58645 ?          ?        216.5420 4.060750 ?        ?        ?         ?        
1 1 1 1  29 2  o 236.6701 4.314651 560.4974   20.42298 560.4974   20.42298 ?          ?        236.6701 4.314651 ?        ?        ?         ?        
1 1 1 1  29 3  o 84.50111 5.035185 71.48043   8.509575 71.48043   8.509575 ?          ?        84.50111 5.035185 ?        ?        ?         ?        
1 1 1 1  29 4  o 380.9425 6.031317 1452.868   45.95170 1452.868   45.95170 ?          ?        380.9425 6.031317 ?        ?        ?         ?        
1 1 1 1  29 5  f 172.8505 4.758980 298.9697   16.45185 298.9697   16.45185 ?          ?        172.8505 4.758980 ?        ?        ?         ?        
1 1 1 1  29 6  o 288.0852 6.203063 830.5344   35.74022 830.5344   35.74022 ?          ?        288.0852 6.203063 ?        ?        ?         ?        
1 1 1 1  29 7  o 94.63160 7.193855 89.63419   13.61532 89.63419   13.61532 ?          ?        94.63160 7.193855 ?        ?        ?         ?        
1 1 1 1  29 8  o 925.5156 21.39234 8645.728   395.9789 8645.728   395.9789 ?          ?        925.5156 21.39234 ?        ?        ?         ?        
1 1 1 1  29 9  o 354.9774 8.310349 1262.254   58.99971 1262.254   58.99971 ?          ?        354.9774 8.310349 ?        ?        ?         ?        
1 1 1 1  29 10 o 320.6748 8.933943 1030.793   57.29780 1030.793   57.29780 ?          ?        320.6748 8.933943 ?        ?        ?         ?        
1 1 1 1  29 11 o 94.60465 6.296415 89.63419   11.91340 89.63419   11.91340 ?          ?        94.60465 6.296415 ?        ?        ?         ?        
1 1 1 1  29 12 o 675.9003 14.98208 4612.189   202.5279 4612.189   202.5279 ?          ?        675.9003 14.98208 ?        ?        ?         ?        
1 1 1 1  29 13 o 68.47591 8.698975 47.08631   11.91340 47.08631   11.91340 ?          ?        68.47591 8.698975 ?        ?        ?         ?        
1 1 1 1  29 14 o 333.4152 8.167186 1118.158   54.46128 1118.158   54.46128 ?          ?        333.4152 8.167186 ?        ?        ?         ?        
1 1 1 1  29 15 o 137.7354 6.178205 190.6145   17.01915 190.6145   17.01915 ?          ?        137.7354 6.178205 ?        ?        ?         ?        
1 1 1 1  29 16 o 168.1872 7.252074 285.3544   24.39412 285.3544   24.39412 ?          ?        168.1872 7.252074 ?        ?        ?         ?        
1 1 1 1  29 17 o 117.7273 6.505385 140.1243   15.31723 140.1243   15.31723 ?          ?        117.7273 6.505385 ?        ?        ?         ?        
1 1 1 1  29 18 o 95.15717 6.856034 91.90340   13.04801 91.90340   13.04801 ?          ?        95.15717 6.856034 ?        ?        ?         ?        
1 1 1 1  30 0  o 1130.562 23.58190 12927.18   532.6994 12927.18   532.6994 12927.18   532.6994 1130.562 23.58190 1130.562 23.58190 -0.000000 0.000000 
1 1 1 1  30 1  o 283.9033 4.795760 806.7077   27.23064 806.7077   27.23064 ?          ?        283.9033 4.795760 ?        ?        ?         ?        
1 1 1 1  30 2  o 179.9225 3.941315 323.9312   14.18262 323.9312   14.18262 ?          ?        179.9225 3.941315 ?        ?        ?         ?        
1 1 1 1  30 3  o 201.4602 4.646343 406.1903   18.72106 406.1903   18.72106 ?          ?        201.4602 4.646343 ?        ?        ?         ?        
1 1 1 1  30 4  o 460.7997 7.633015 2126.826   70.34581 2126.826   70.34581 ?          ?        460.7997 7.633015 ?        ?        ?         ?        
1 1 1 1  30 5  o 463.7296 10.15383 2155.759   94.17262 2155.759   94.17262 ?          ?        463.7296 10.15383 ?        ?        ?         ?        
1 1 1 1  30 6  o 209.2287 5.016111 437.9594   20.99029 437.9594   20.99029 ?          ?        209.2287 5.016111 ?        ?        ?         ?        
1 1 1 1  30 7  o 340.5229 8.496506 1161.273   57.86510 1161.273   57.86510 ?          ?        340.5229 8.496506 ?        ?        ?         ?        
1 1 1 1  30 8  o 264.2542 6.655126 698.9197   35.17290 698.9197   35.17290 ?          ?        264.2542 6.655126 ?        ?        ?         ?        
1 1 1 1  30 9  o 322.1470 7.572356 1039.303   48.78823 1039.303   48.78823 ?          ?        322.1470 7.572356 ?        ?        ?         ?        
1 1 1 1  30 10 o 551.0137 12.30331 3049.831   135.5859 3049.831   135.5859 ?          ?        551.0137 12.30331 ?        ?        ?         ?        
1 1 1 1  30 11 o 106.9469 7.161140 114.5956   15.31723 114.5956   15.31723 ?          ?        106.9469 7.161140 ?        ?        ?         ?        
1 1 1 1  30 12 o 150.1167 6.424458 225.7874   19.28837 225.7874   19.28837 ?          ?        150.1167 6.424458 ?        ?        ?         ?        
1 1 1 1  30 13 o 351.1224 8.482372 1238.427   59.56702 1238.427   59.56702 ?          ?        351.1224 8.482372 ?        ?        ?         ?        
1 1 1 1  30 14 o 216.6141 6.285519 470.8631   27.23064 470.8631   27.23064 ?          ?        216.6141 6.285519 ?        ?        ?         ?        
1 1 1 1  30 15 o 141.9588 5.994398 202.5279   17.01915 202.5279   17.01915 ?          ?        141.9588 5.994398 ?        ?        ?         ?        
1 1 1 1  30 16 o 342.4277 10.93432 1197.013   74.88425 1197.013   74.88425 ?          ?        342.4277 10.93432 ?        ?        ?         ?        
1 1 1 1  30 17 o 243.0618 7.001986 597.9395   34.03830 597.9395   34.03830 ?          ?        243.0618 7.001986 ?        ?        ?         ?        
1 1 1 1  30 18 o 95.96629 7.093803 93.60532   13.61532 93.60532   13.61532 ?          ?        95.96629 7.093803 ?        ?        ?         ?        
1 1 1 1  31 0  o 27.79150 15.43804 10.77879   12.48071 10.77879   12.48071 10.77879   12.48071 27.79150 15.43804 27.79150 15.43804 -0.000000 0.000000 
1 1 1 1  31 1  o 112.6788 4.531237 127.0763   10.21149 127.0763   10.21149 ?          ?        112.6788 4.531237 ?        ?        ?         ?        
1 1 1 1  31 2  o 397.5958 7.205534 1583.916   57.29780 1583.916   57.29780 ?          ?        397.5958 7.205534 ?        ?        ?         ?        
1 1 1 1  31 3  o 364.0205 5.766236 1326.359   41.98057 1326.359   41.98057 ?          ?        364.0205 5.766236 ?        ?        ?         ?        
1 1 1 1  31 4  o 659.4575 14.15128 4373.921   186.6433 4373.921   186.6433 ?          ?        659.4575 14.15128 ?        ?        ?         ?        
1 1 1 1  31 5  o 131.2928 4.969053 172.4607   13.04801 172.4607   13.04801 ?          ?        131.2928 4.969053 ?        ?        ?         ?        
1 1 1 1  31 6  o 173.6927 4.735906 301.8062   16.45185 301.8062   16.45185 ?          ?        173.6927 4.735906 ?        ?        ?         ?        
1 1 1 1  31 7  o 103.2387 5.495081 106.6533   11.34610 106.6533   11.34610 ?          ?        103.2387 5.495081 ?        ?        ?         ?        
1 1 1 1  31 8  o 618.2867 15.82762 3844.058   195.7202 3844.058   195.7202 ?          ?        618.2867 15.82762 ?        ?        ?         ?        
1 1 1 1  31 9  o 118.3197 5.753614 140.1243   13.61532 140.1243   13.61532 ?          ?        118.3197 5.753614 ?        ?        ?         ?        
1 1 1 1  31 10 o 764.5624 19.66299 5915.289   300.6716 5915.289   300.6716 ?          ?        764.5624 19.66299 ?        ?        ?         ?        
1 1 1 1  31 11 o 360.1937 8.583748 1300.830   61.83624 1300.830   61.83624 ?          ?        360.1937 8.583748 ?        ?        ?         ?        
1 1 1 1  31 12 o 826.9022 26.37903 7048.197   436.2575 7048.197   436.2575 ?          ?        826.9022 26.37903 ?        ?        ?         ?        
1 1 1 1  31 13 o 159.9289 6.030293 256.4218   19.28837 256.4218   19.28837 ?          ?        159.9289 6.030293 ?        ?        ?         ?        
1 1 1 1  31 14 o 422.8371 11.47122 1809.703   97.00916 1809.703   97.00916 ?          ?        422.8371 11.47122 ?        ?        ?         ?        
1 1 1 1  31 15 o 182.2523 6.381126 334.1426   23.25950 334.1426   23.25950 ?          ?        182.2523 6.381126 ?        ?        ?         ?        
1 1 1 1  31 16 o 24.94362 11.53881 -10.77879  13.61532 -10.77879  13.61532 ?          ?        24.94362 11.53881 ?        ?        ?         ?        
1 1 1 1  31 17 o 95.20731 8.640011 92.47070   16.45185 92.47070   16.45185 ?          ?        95.20731 8.640011 ?        ?        ?         ?        
1 1 1 1  31 18 o 145.4580 6.825224 215.0086   19.85567 215.0086   19.85567 ?          ?        145.4580 6.825224 ?        ?        ?         ?        
1 1 1 1  32 0  o 94.84589 7.881003 91.90340   14.74993 91.90340   14.74993 91.90340   14.74993 94.84589 7.881003 94.84589 7.881003 -0.000000 0.000000 
1 1 1 1  32 1  o 277.6006 6.028623 771.5348   33.47099 771.5348   33.47099 ?          ?        277.6006 6.028623 ?        ?        ?         ?        
1 1 1 1  32 2  o 378.0289 6.452976 1430.743   48.78823 1430.743   48.78823 ?          ?        378.0289 6.452976 ?        ?        ?         ?        
1 1 1 1  32 3  o 359.8265 7.488883 1296.859   53.89397 1296.859   53.89397 ?          ?        359.8265 7.488883 ?        ?        ?         ?        
1 1 1 1  32 4  o 926.1298 26.40110 8712.670   489.0168 8712.670   489.0168 ?          ?        926.1298 26.40110 ?        ?        ?         ?        
1 1 1 1  32 5  o 434.0282 10.39120 1887.424   90.20149 1887.424   90.20149 ?          ?        434.0282 10.39120 ?        ?        ?         ?        
1 1 1 1  32 6  o 464.6360 13.24749 2165.970   123.1052 2165.970   123.1052 ?          ?        464.6360 13.24749 ?        ?        ?         ?        
1 1 1 1  32 7  o 52.32671 10.11856 28.36525   10.21149 28.36525   10.21149 ?          ?        52.32671 10.11856 ?        ?        ?         ?        
1 1 1 1  32 8  o 90.34017 6.279654 81.69191   11.34610 81.69191   11.34610 ?          ?        90.34017 6.279654 ?        ?        ?         ?        
1 1 1 1  32 9  o 94.90643 6.874147 90.20149   13.04801 90.20149   13.04801 ?          ?        94.90643 6.874147 ?        ?        ?         ?        
1 1 1 1  32 10 o 464.1783 10.44956 2162.567   97.00916 2162.567   97.00916 ?          ?        464.1783 10.44956 ?        ?        ?         ?        
1 1 1 1  32 11 o 610.8050 14.58188 3759.530   178.1338 3759.530   178.1338 ?          ?        610.8050 14.58188 ?        ?        ?         ?        
1 1 1 1  32 12 o 465.4566 11.39591 2179.586   106.0860 2179.586   106.0860 ?          ?        465.4566 11.39591 ?        ?        ?         ?        
1 1 1 1  32 13 o 348.5666 8.381815 1220.840   58.43241 1220.840   58.43241 ?          ?        348.5666 8.381815 ?        ?        ?         ?        
1 1 1 1  32 14 o 164.4973 6.035257 271.7391   19.85567 271.7391   19.85567 ?          ?        164.4973 6.035257 ?        ?        ?         ?        
1 1 1 1  32 15 o 281.2074 8.473039 799.3326   47.65361 799.3326   47.65361 ?          ?        281.2074 8.473039 ?        ?        ?         ?        
1 1 1 1  32 16 o 108.5971 6.791123 119.1340   14.74993 119.1340   14.74993 ?          ?        108.5971 6.791123 ?        ?        ?         ?        
1 1 1 1  32 17 o 112.7036 9.060484 129.9128   20.42298 129.9128   20.42298 ?          ?        112.7036 9.060484 ?        ?        ?         ?        
1 1 1 1  32 18 o 71.50934 9.519959 52.75936   13.61532 52.75936   13.61532 ?          ?        71.50934 9.519959 ?        ?        ?         ?        
1 1 1 1  33 0  o 538.0245 23.02468 2931.832   246.7777 2931.832   246.7777 2931.832   246.7777 538.0245 23.02468 538.0245 23.02468 -0.000000 0.000000 
1 1 1 1  33 1  o 323.3940 6.929179 1047.245   44.81709 1047.245   44.81709 ?          ?        323.3940 6.929179 ?        ?        ?         ?        
1 1 1 1  33 2  o 262.4106 5.837125 689.2755   30.63447 689.2755   30.63447 ?          ?        262.4106 5.837125 ?        ?        ?         ?        
1 1 1 1  33 3  o 82.12443 6.217084 67.50929   10.21149 67.50929   10.21149 ?          ?        82.12443 6.217084 ?        ?        ?         ?        
1 1 1 1  33 4  o 903.1334 19.22145 8213.442   347.1906 8213.442   347.1906 ?          ?        903.1334 19.22145 ?        ?        ?         ?        
1 1 1 1  33 5  o 437.2669 9.016848 1914.654   78.85539 1914.654   78.85539 ?          ?        437.2669 9.016848 ?        ?        ?         ?        
1 1 1 1  33 6  o 517.3113 14.96916 2689.025   154.8743 2689.025   154.8743 ?          ?        517.3113 14.96916 ?        ?        ?         ?        
1 1 1 1  33 7  o 482.4475 14.46344 2337.296   139.5570 2337.296   139.5570 ?          ?        482.4475 14.46344 ?        ?        ?         ?        
1 1 1 1  33 8  o 199.9104 5.533703 399.9500   22.12490 399.9500   22.12490 ?          ?        199.9104 5.533703 ?        ?        ?         ?        
1 1 1 1  33 9  o 143.6302 5.727152 206.4990   16.45185 206.4990   16.45185 ?          ?        143.6302 5.727152 ?        ?        ?         ?        
1 1 1 1  33 10 o 43.31881 13.56556 18.72106   13.04801 18.72106   13.04801 ?          ?        43.31881 13.56556 ?        ?        ?         ?        
1 1 1 1  33 11 o 335.6464 8.112896 1129.504   54.46128 1129.504   54.46128 ?          ?        335.6464 8.112896 ?        ?        ?         ?        
1 1 1 1  33 12 o 330.6547 8.063800 1097.168   53.32666 1097.168   53.32666 ?          ?        330.6547 8.063800 ?        ?        ?         ?        
1 1 1 1  33 13 o 380.1576 9.028348 1453.435   68.64390 1453.435   68.64390 ?          ?        380.1576 9.028348 ?        ?        ?         ?        
1 1 1 1  33 14 o 101.2507 7.564017 103.2495   15.31723 103.2495   15.31723 ?          ?        101.2507 7.564017 ?        ?        ?         ?        
1 1 1 1  33 15 o 137.4312 6.191882 190.0471   17.01915 190.0471   17.01915 ?          ?        137.4312 6.191882 ?        ?        ?         ?        
1 1 1 1  33 16 o 77.60441 8.772259 61.26894   13.61532 61.26894   13.61532 ?          ?        77.60441 8.772259 ?        ?        ?         ?        
1 1 1 1  33 17 o 66.81319 10.18910 45.95170   13.61532 45.95170   13.61532 ?          ?        66.81319 10.18910 ?        ?        ?         ?        
1 1 1 1  34 0  o 602.7825 17.25414 3657.982   207.6336 3657.982   207.6336 3657.982   207.6336 602.7825 17.25414 602.7825 17.25414 -0.000000 0.000000 
1 1 1 1  34 1  o 263.6168 7.639622 696.0832   40.27865 696.0832   40.27865 ?          ?        263.6168 7.639622 ?        ?        ?         ?        
1 1 1 1  34 2  o 778.7188 15.51728 6099.663   241.6719 6099.663   241.6719 ?          ?        778.7188 15.51728 ?        ?        ?         ?        
1 1 1 1  34 3  o 188.2535 4.972301 354.5656   18.72106 354.5656   18.72106 ?          ?        188.2535 4.972301 ?        ?        ?         ?        
1 1 1 1  34 4  o 1135.312 28.63228 13072.98   650.1314 13072.98   650.1314 ?          ?        1135.312 28.63228 ?        ?        ?         ?        
1 1 1 1  34 5  o 161.1494 5.280550 259.8257   17.01915 259.8257   17.01915 ?          ?        161.1494 5.280550 ?        ?        ?         ?        
1 1 1 1  34 6  o 240.2328 5.667552 577.5164   27.23064 577.5164   27.23064 ?          ?        240.2328 5.667552 ?        ?        ?         ?        
1 1 1 1  34 7  o 383.6756 12.49422 1477.262   95.87454 1477.262   95.87454 ?          ?        383.6756 12.49422 ?        ?        ?         ?        
1 1 1 1  34 8  f 354.4257 8.883507 1258.850   62.97085 1258.850   62.97085 ?          ?        354.4257 8.883507 ?        ?        ?         ?        
1 1 1 1  34 9  o 570.4535 12.72935 3269.946   145.2301 3269.946   145.2301 ?          ?        570.4535 12.72935 ?        ?        ?         ?        
1 1 1 1  34 10 o 272.8832 6.964415 746.0060   38.00943 746.0060   38.00943 ?          ?        272.8832 6.964415 ?        ?        ?         ?        
1 1 1 1  34 11 o 497.8654 13.21791 2498.411   131.6148 2498.411   131.6148 ?          ?        497.8654 13.21791 ?        ?        ?         ?        
1 1 1 1  34 12 o 269.8568 6.832295 730.1215   36.87482 730.1215   36.87482 ?          ?        269.8568 6.832295 ?        ?        ?         ?        
1 1 1 1  34 13 o 84.61391 8.716018 72.04772   14.74993 72.04772   14.74993 ?          ?        84.61391 8.716018 ?        ?        ?         ?        
1 1 1 1  34 14 o 118.0252 6.969632 140.1243   16.45185 140.1243   16.45185 ?          ?        118.0252 6.969632 ?        ?        ?         ?        
1 1 1 1  34 15 o 139.6152 6.501355 196.2875   18.15376 196.2875   18.15376 ?          ?        139.6152 6.501355 ?        ?        ?         ?        
1 1 1 1  34 16 f 160.9509 6.344477 261.5276   20.42298 261.5276   20.42298 ?          ?        160.9509 6.344477 ?        ?        ?         ?        
1 1 1 1  34 17 o 95.28396 7.739985 92.47070   14.74993 92.47070   14.74993 ?          ?        95.28396 7.739985 ?        ?        ?         ?        
1 1 1 1  35 0  o 640.7114 18.31718 4130.547   234.2970 4130.547   234.2970 4130.547   234.2970 640.7114 18.31718 640.7114 18.31718 -0.000000 0.000000 
1 1 1 1  35 1  o 146.9786 5.017714 216.1432   14.74993 216.1432   14.74993 ?          ?        146.9786 5.017714 ?        ?        ?         ?        
1 1 1 1  35 2  o 748.5983 17.24047 5636.175   258.1238 5636.175   258.1238 ?          ?        748.5983 17.24047 ?        ?        ?         ?        
1 1 1 1  35 3  o 172.8727 4.758370 298.9697   16.45185 298.9697   16.45185 ?          ?        172.8727 4.758370 ?        ?        ?         ?        
1 1 1 1  35 4  o 967.4620 22.25330 9439.388   430.5845 9439.388   430.5845 ?          ?        967.4620 22.25330 ?        ?        ?         ?        
1 1 1 1  35 5  o 965.5468 27.49724 9474.561   530.9974 9474.561   530.9974 ?          ?        965.5468 27.49724 ?        ?        ?         ?        
1 1 1 1  35 6  o 482.8435 13.80537 2340.133   133.3167 2340.133   133.3167 ?          ?        482.8435 13.80537 ?        ?        ?         ?        
1 1 1 1  35 7  o 401.1017 12.58787 1615.117   100.9803 1615.117   100.9803 ?          ?        401.1017 12.58787 ?        ?        ?         ?        
1 1 1 1  35 8  o 220.2114 6.826886 485.6130   30.06716 485.6130   30.06716 ?          ?        220.2114 6.826886 ?        ?        ?         ?        
1 1 1 1  35 9  o 358.7883 9.724189 1291.186   69.77851 1291.186   69.77851 ?          ?        358.7883 9.724189 ?        ?        ?         ?        
1 1 1 1  35 10 o 404.6282 9.323567 1642.348   75.45156 1642.348   75.45156 ?          ?        404.6282 9.323567 ?        ?        ?         ?        
1 1 1 1  35 11 o 464.1751 11.30515 2167.105   104.9514 2167.105   104.9514 ?          ?        464.1751 11.30515 ?        ?        ?         ?        
1 1 1 1  35 12 o 346.6651 8.345966 1207.225   57.86510 1207.225   57.86510 ?          ?        346.6651 8.345966 ?        ?        ?         ?        
1 1 1 1  35 13 o 73.90120 9.211840 55.02858   13.61532 55.02858   13.61532 ?          ?        73.90120 9.211840 ?        ?        ?         ?        
1 1 1 1  35 14 o 306.7285 8.230427 949.1012   50.49014 949.1012   50.49014 ?          ?        306.7285 8.230427 ?        ?        ?         ?        
1 1 1 1  35 15 o 133.1634 6.816348 178.7011   18.15376 178.7011   18.15376 ?          ?        133.1634 6.816348 ?        ?        ?         ?        
1 1 1 1  35 16 o 101.3994 7.552925 104.3841   15.31723 104.3841   15.31723 ?          ?        101.3994 7.552925 ?        ?        ?         ?        
1 1 1 1  35 17 o 53.34802 13.31917 31.20177   14.18262 31.20177   14.18262 ?          ?        53.34802 13.31917 ?        ?        ?         ?        
1 1 1 1  36 0  o 477.6097 13.74422 2290.777   131.0475 2290.777   131.0475 2290.777   131.0475 477.6097 13.74422 477.6097 13.74422 -0.000000 0.000000 
1 1 1 1  36 1  o 90.02953 6.931453 81.12460   12.48071 81.12460   12.48071 ?          ?        90.02953 6.931453 ?        ?        ?         ?        
1 1 1 1  36 2  o 897.4054 17.82695 8098.278   319.9600 8098.278   319.9600 ?          ?        897.4054 17.82695 ?        ?        ?         ?        
1 1 1 1  36 3  o 673.6021 17.13869 4559.998   230.8931 4559.998   230.8931 ?          ?        673.6021 17.13869 ?        ?        ?         ?        
1 1 1 1  36 4  o 267.5299 7.421852 716.5062   39.71135 716.5062   39.71135 ?          ?        267.5299 7.421852 ?        ?        ?         ?        
1 1 1 1  36 5  o 436.8459 12.98639 1915.222   113.4610 1915.222   113.4610 ?          ?        436.8459 12.98639 ?        ?        ?         ?        
1 1 1 1  36 6  o 151.3316 5.998006 229.1912   18.15376 229.1912   18.15376 ?          ?        151.3316 5.998006 ?        ?        ?         ?        
1 1 1 1  36 7  o 1153.745 36.33720 13758.85   838.4767 13758.85   838.4767 ?          ?        1153.745 36.33720 ?        ?        ?         ?        
1 1 1 1  36 8  o 286.2004 7.036791 820.3230   40.27865 820.3230   40.27865 ?          ?        286.2004 7.036791 ?        ?        ?         ?        
1 1 1 1  36 9  o 312.1366 7.633455 976.3318   47.65361 976.3318   47.65361 ?          ?        312.1366 7.633455 ?        ?        ?         ?        
1 1 1 1  36 10 o 619.3929 15.89095 3871.856   196.8548 3871.856   196.8548 ?          ?        619.3929 15.89095 ?        ?        ?         ?        
1 1 1 1  36 11 o 344.3081 8.815016 1189.638   60.70163 1189.638   60.70163 ?          ?        344.3081 8.815016 ?        ?        ?         ?        
1 1 1 1  36 12 o 433.7805 10.00479 1894.798   86.79766 1894.798   86.79766 ?          ?        433.7805 10.00479 ?        ?        ?         ?        
1 1 1 1  36 13 o 94.12794 7.533696 89.06688   14.18262 89.06688   14.18262 ?          ?        94.12794 7.533696 ?        ?        ?         ?        
1 1 1 1  36 14 o 27.41011 12.21432 -5.105744  13.61532 -5.105744  13.61532 ?          ?        27.41011 12.21432 ?        ?        ?         ?        
1 1 1 1  36 15 o 217.7736 6.382303 477.6707   27.79794 477.6707   27.79794 ?          ?        217.7736 6.382303 ?        ?        ?         ?        
1 1 1 1  36 16 o 58.56250 12.47928 36.87482   14.18262 36.87482   14.18262 ?          ?        58.56250 12.47928 ?        ?        ?         ?        
1 1 1 1  36 17 o 93.38003 8.201558 89.06688   15.31723 89.06688   15.31723 ?          ?        93.38003 8.201558 ?        ?        ?         ?        
1 1 1 1  37 0  o 151.7908 7.134816 232.0277   21.55759 232.0277   21.55759 232.0277   21.55759 151.7908 7.134816 151.7908 7.134816 -0.000000 0.000000 
1 1 1 1  37 1  o 232.8206 5.604321 542.3435   26.09603 542.3435   26.09603 ?          ?        232.8206 5.604321 ?        ?        ?         ?        
1 1 1 1  37 2  o 399.8817 8.299291 1600.935   66.37468 1600.935   66.37468 ?          ?        399.8817 8.299291 ?        ?        ?         ?        
1 1 1 1  37 3  o 121.8790 5.585591 148.6339   13.61532 148.6339   13.61532 ?          ?        121.8790 5.585591 ?        ?        ?         ?        
1 1 1 1  37 4  o 336.0309 7.681550 1130.639   51.62476 1130.639   51.62476 ?          ?        336.0309 7.681550 ?        ?        ?         ?        
1 1 1 1  37 5  o 975.6478 27.91032 9665.174   544.6128 9665.174   544.6128 ?          ?        975.6478 27.91032 ?        ?        ?         ?        
1 1 1 1  37 6  o 519.8569 16.15082 2719.660   167.9223 2719.660   167.9223 ?          ?        519.8569 16.15082 ?        ?        ?         ?        
1 1 1 1  37 7  o 207.6768 5.873097 431.7191   24.39412 431.7191   24.39412 ?          ?        207.6768 5.873097 ?        ?        ?         ?        
1 1 1 1  37 8  o 269.8204 6.622963 728.9869   35.74022 728.9869   35.74022 ?          ?        269.8204 6.622963 ?        ?        ?         ?        
1 1 1 1  37 9  o 318.7398 7.831283 1018.312   49.92284 1018.312   49.92284 ?          ?        318.7398 7.831283 ?        ?        ?         ?        
1 1 1 1  37 10 o 298.7920 8.164246 895.2073   48.78823 895.2073   48.78823 ?          ?        298.7920 8.164246 ?        ?        ?         ?        
1 1 1 1  37 11 o 261.6615 6.937879 686.4390   36.30752 686.4390   36.30752 ?          ?        261.6615 6.937879 ?        ?        ?         ?        
1 1 1 1  37 12 o 465.1627 11.40311 2182.989   106.0860 2182.989   106.0860 ?          ?        465.1627 11.40311 ?        ?        ?         ?        
1 1 1 1  37 13 o 232.1582 6.597758 541.7762   30.63447 541.7762   30.63447 ?          ?        232.1582 6.597758 ?        ?        ?         ?        
1 1 1 1  37 14 o 527.6777 14.03002 2866.025   148.0666 2866.025   148.0666 ?          ?        527.6777 14.03002 ?        ?        ?         ?        
1 1 1 1  37 15 o 53.36553 13.31651 30.63447   14.18262 30.63447   14.18262 ?          ?        53.36553 13.31651 ?        ?        ?         ?        
1 1 1 1  37 16 o 159.3003 6.232151 256.4218   19.85567 256.4218   19.85567 ?          ?        159.3003 6.232151 ?        ?        ?         ?        
1 1 1 1  37 17 o 44.56618 14.47893 20.99029   14.74993 20.99029   14.74993 ?          ?        44.56618 14.47893 ?        ?        ?         ?        
1 1 1 1  38 0  o 187.6627 7.431657 353.9983   27.79794 353.9983   27.79794 353.9983   27.79794 187.6627 7.431657 187.6627 7.431657 -0.000000 0.000000 
1 1 1 1  38 1  o 149.0869 5.327276 222.3835   15.88454 222.3835   15.88454 ?          ?        149.0869 5.327276 ?        ?        ?         ?        
1 1 1 1  38 2  o 213.6411 5.310823 456.6805   22.69220 456.6805   22.69220 ?          ?        213.6411 5.310823 ?        ?        ?         ?        
1 1 1 1  38 3  o 382.6774 8.005300 1466.483   61.26894 1466.483   61.26894 ?          ?        382.6774 8.005300 ?        ?        ?         ?        
1 1 1 1  38 4  o 619.1739 17.59159 3857.674   217.8451 3857.674   217.8451 ?          ?        619.1739 17.59159 ?        ?        ?         ?        
1 1 1 1  38 5  o 1009.171 31.56470 10409.48   637.0835 10409.48   637.0835 ?          ?        1009.171 31.56470 ?        ?        ?         ?        
1 1 1 1  38 6  o 71.78181 8.693504 51.62476   12.48071 51.62476   12.48071 ?          ?        71.78181 8.693504 ?        ?        ?         ?        
1 1 1 1  38 7  o 56.81785 10.87167 33.47099   11.91340 33.47099   11.91340 ?          ?        56.81785 10.87167 ?        ?        ?         ?        
1 1 1 1  38 8  o 540.2980 17.00976 2946.582   183.8068 2946.582   183.8068 ?          ?        540.2980 17.00976 ?        ?        ?         ?        
1 1 1 1  38 9  o 295.7704 8.439457 877.0535   49.92284 877.0535   49.92284 ?          ?        295.7704 8.439457 ?        ?        ?         ?        
1 1 1 1  38 10 o 487.8869 12.96499 2399.133   126.5090 2399.133   126.5090 ?          ?        487.8869 12.96499 ?        ?        ?         ?        
1 1 1 1  38 11 o 342.1094 8.291280 1174.889   56.73050 1174.889   56.73050 ?          ?        342.1094 8.291280 ?        ?        ?         ?        
1 1 1 1  38 12 o 344.8827 9.705037 1198.148   66.94199 1198.148   66.94199 ?          ?        344.8827 9.705037 ?        ?        ?         ?        
1 1 1 1  38 13 o 95.18896 8.045698 91.33610   15.31723 91.33610   15.31723 ?          ?        95.18896 8.045698 ?        ?        ?         ?        
1 1 1 1  38 14 o 189.1948 6.296897 360.2386   23.82681 360.2386   23.82681 ?          ?        189.1948 6.296897 ?        ?        ?         ?        
1 1 1 1  38 15 f 49.28111 13.82944 26.09603   14.18262 26.09603   14.18262 ?          ?        49.28111 13.82944 ?        ?        ?         ?        
1 1 1 1  38 16 o 196.6125 6.347870 390.8731   24.96142 390.8731   24.96142 ?          ?        196.6125 6.347870 ?        ?        ?         ?        
1 1 1 1  38 17 o 69.47768 11.43140 50.49014   15.88454 50.49014   15.88454 ?          ?        69.47768 11.43140 ?        ?        ?         ?        
1 1 1 1  39 0  o 333.4289 9.973013 1115.889   66.37468 1115.889   66.37468 1115.889   66.37468 333.4289 9.973013 333.4289 9.973013 -0.000000 0.000000 
1 1 1 1  39 1  o 477.8321 9.794792 2287.941   93.60532 2287.941   93.60532 ?          ?        477.8321 9.794792 ?        ?        ?         ?        
1 1 1 1  39 2  o 235.4673 5.541328 554.8243   26.09603 554.8243   26.09603 ?          ?        235.4673 5.541328 ?        ?        ?         ?        
1 1 1 1  39 3  o 572.0985 13.23814 3284.696   151.4704 3284.696   151.4704 ?          ?        572.0985 13.23814 ?        ?        ?         ?        
1 1 1 1  39 4  o 312.9009 7.796114 980.3030   48.78823 980.3030   48.78823 ?          ?        312.9009 7.796114 ?        ?        ?         ?        
1 1 1 1  39 5  o 949.8077 29.74475 9218.139   565.0358 9218.139   565.0358 ?          ?        949.8077 29.74475 ?        ?        ?         ?        
1 1 1 1  39 6  o 482.4715 15.28580 2342.970   147.4993 2342.970   147.4993 ?          ?        482.4715 15.28580 ?        ?        ?         ?        
1 1 1 1  39 7  o 32.99046 13.81502 1.701915   15.31723 1.701915   15.31723 ?          ?        32.99046 13.81502 ?        ?        ?         ?        
1 1 1 1  39 8  f 195.4143 5.951330 382.3636   23.25950 382.3636   23.25950 ?          ?        195.4143 5.951330 ?        ?        ?         ?        
1 1 1 1  39 9  o 191.7465 6.213103 368.1809   23.82681 368.1809   23.82681 ?          ?        191.7465 6.213103 ?        ?        ?         ?        
1 1 1 1  39 10 o 232.0678 6.355870 539.5070   29.49986 539.5070   29.49986 ?          ?        232.0678 6.355870 ?        ?        ?         ?        
1 1 1 1  39 11 o 117.9291 7.215840 139.5570   17.01915 139.5570   17.01915 ?          ?        117.9291 7.215840 ?        ?        ?         ?        
1 1 1 1  39 12 o 45.46899 14.12395 20.99029   14.18262 20.99029   14.18262 ?          ?        45.46899 14.12395 ?        ?        ?         ?        
1 1 1 1  39 13 o 266.0996 7.141956 712.5350   38.00943 712.5350   38.00943 ?          ?        266.0996 7.141956 ?        ?        ?         ?        
1 1 1 1  39 14 o 305.4848 8.356790 943.9954   51.05745 943.9954   51.05745 ?          ?        305.4848 8.356790 ?        ?        ?         ?        
1 1 1 1  39 15 o 149.5527 6.448685 225.7874   19.28837 225.7874   19.28837 ?          ?        149.5527 6.448685 ?        ?        ?         ?        
1 1 1 1  39 16 o 42.51405 14.47895 18.15376   14.74993 18.15376   14.74993 ?          ?        42.51405 14.47895 ?        ?        ?         ?        
1 1 1 1  40 0  o 332.6343 10.16860 1110.783   67.50929 1110.783   67.50929 1110.783   67.50929 332.6343 10.16860 332.6343 10.16860 -0.000000 0.000000 
1 1 1 1  40 1  o 239.6396 5.799948 574.6800   27.79794 574.6800   27.79794 ?          ?        239.6396 5.799948 ?        ?        ?         ?        
1 1 1 1  40 2  o 52.13281 12.62935 28.36525   13.04801 28.36525   13.04801 ?          ?        52.13281 12.62935 ?        ?        ?         ?        
1 1 1 1  40 3  o 915.7172 18.27584 8442.632   334.7099 8442.632   334.7099 ?          ?        915.7172 18.27584 ?        ?        ?         ?        
1 1 1 1  40 4  o 147.1561 5.589931 216.7105   16.45185 216.7105   16.45185 ?          ?        147.1561 5.589931 ?        ?        ?         ?        
1 1 1 1  40 5  o 1211.668 38.25208 15231.00   926.9763 15231.00   926.9763 ?          ?        1211.668 38.25208 ?        ?        ?         ?        
1 1 1 1  40 6  o 144.1877 6.885355 208.2009   19.85567 208.2009   19.85567 ?          ?        144.1877 6.885355 ?        ?        ?         ?        
1 1 1 1  40 7  o 548.8269 17.31394 3040.188   190.0471 3040.188   190.0471 ?          ?        548.8269 17.31394 ?        ?        ?         ?        
1 1 1 1  40 8  o 469.3590 13.29548 2217.595   124.8071 2217.595   124.8071 ?          ?        469.3590 13.29548 ?        ?        ?         ?        
1 1 1 1  40 9  o 435.8855 12.68963 1912.385   110.6245 1912.385   110.6245 ?          ?        435.8855 12.68963 ?        ?        ?         ?        
1 1 1 1  40 10 o 273.9276 7.041411 752.2464   38.57674 752.2464   38.57674 ?          ?        273.9276 7.041411 ?        ?        ?         ?        
1 1 1 1  40 11 o 179.4296 6.165342 322.7965   22.12490 322.7965   22.12490 ?          ?        179.4296 6.165342 ?        ?        ?         ?        
1 1 1 1  40 12 o 60.09887 12.66757 38.00943   14.74993 38.00943   14.74993 ?          ?        60.09887 12.66757 ?        ?        ?         ?        
1 1 1 1  40 13 o 330.5359 10.21210 1108.514   67.50929 1108.514   67.50929 ?          ?        330.5359 10.21210 ?        ?        ?         ?        
1 1 1 1  40 14 o 289.8521 7.241723 847.5536   41.98057 847.5536   41.98057 ?          ?        289.8521 7.241723 ?        ?        ?         ?        
1 1 1 1  40 15 o 36.01556 13.88543 9.644185   14.18262 9.644185   14.18262 ?          ?        36.01556 13.88543 ?        ?        ?         ?        
1 1 1 1  40 16 o 30.41070 13.03415 0.5673050  14.18262 0.5673050  14.18262 ?          ?        30.41070 13.03415 ?        ?        ?         ?        
1 1 1 1  41 0  o 26.95407 16.59958 6.240355   17.01915 6.240355   17.01915 6.240355   17.01915 26.95407 16.59958 26.95407 16.59958 -0.000000 0.000000 
1 1 1 1  41 1  o 523.7576 11.37301 2750.294   119.1340 2750.294   119.1340 ?          ?        523.7576 11.37301 ?        ?        ?         ?        
1 1 1 1  41 2  o 348.3901 7.409045 1215.167   51.62476 1215.167   51.62476 ?          ?        348.3901 7.409045 ?        ?        ?         ?        
1 1 1 1  41 3  o 35.32116 13.82990 7.374964   14.18262 7.374964   14.18262 ?          ?        35.32116 13.82990 ?        ?        ?         ?        
1 1 1 1  41 4  o 296.3517 6.987183 879.3227   41.41326 879.3227   41.41326 ?          ?        296.3517 6.987183 ?        ?        ?         ?        
1 1 1 1  41 5  o 361.4605 11.53568 1311.609   83.39383 1311.609   83.39383 ?          ?        361.4605 11.53568 ?        ?        ?         ?        
1 1 1 1  41 6  o 127.0856 6.026344 161.6819   15.31723 161.6819   15.31723 ?          ?        127.0856 6.026344 ?        ?        ?         ?        
1 1 1 1  41 7  o 451.6046 14.32066 2054.211   129.3455 2054.211   129.3455 ?          ?        451.6046 14.32066 ?        ?        ?         ?        
1 1 1 1  41 8  o 311.1127 7.932098 970.0915   49.35553 970.0915   49.35553 ?          ?        311.1127 7.932098 ?        ?        ?         ?        
1 1 1 1  41 9  o 524.7769 15.18862 2783.766   159.4127 2783.766   159.4127 ?          ?        524.7769 15.18862 ?        ?        ?         ?        
1 1 1 1  41 10 f 459.5134 12.09886 2128.528   111.1918 2128.528   111.1918 ?          ?        459.5134 12.09886 ?        ?        ?         ?        
1 1 1 1  41 11 f 181.4593 6.252697 330.1715   22.69220 330.1715   22.69220 ?          ?        181.4593 6.252697 ?        ?        ?         ?        
1 1 1 1  41 12 o 297.5504 7.435680 891.2361   44.24979 891.2361   44.24979 ?          ?        297.5504 7.435680 ?        ?        ?         ?        
1 1 1 1  41 13 o 324.0846 9.102519 1063.130   58.99971 1063.130   58.99971 ?          ?        324.0846 9.102519 ?        ?        ?         ?        
1 1 1 1  41 14 o 235.6463 6.740841 559.9300   31.76908 559.9300   31.76908 ?          ?        235.6463 6.740841 ?        ?        ?         ?        
1 1 1 1  41 15 o 192.2554 6.344196 373.2867   24.39412 373.2867   24.39412 ?          ?        192.2554 6.344196 ?        ?        ?         ?        
1 1 1 1  41 16 o 133.6968 7.001311 181.5376   18.72106 181.5376   18.72106 ?          ?        133.6968 7.001311 ?        ?        ?         ?        
1 1 1 1  42 0  f 18.34495 12.99272 -19.28837  18.15376 -19.28837  18.15376 -19.28837  18.15376 18.34495 12.99272 18.34495 12.99272 -0.000000 0.000000 
1 1 1 1  42 1  o 777.5976 16.92582 6086.615   263.2295 6086.615   263.2295 ?          ?        777.5976 16.92582 ?        ?        ?         ?        
1 1 1 1  42 2  o 314.6960 7.391104 991.6491   46.51900 991.6491   46.51900 ?          ?        314.6960 7.391104 ?        ?        ?         ?        
1 1 1 1  42 3  o 468.1905 11.14761 2198.874   104.3841 2198.874   104.3841 ?          ?        468.1905 11.14761 ?        ?        ?         ?        
1 1 1 1  42 4  f 436.1507 9.755316 1907.279   85.09574 1907.279   85.09574 ?          ?        436.1507 9.755316 ?        ?        ?         ?        
1 1 1 1  42 5  o 532.4277 13.63848 2850.708   145.2301 2850.708   145.2301 ?          ?        532.4277 13.63848 ?        ?        ?         ?        
1 1 1 1  42 6  o 208.3434 5.990453 434.5556   24.96142 434.5556   24.96142 ?          ?        208.3434 5.990453 ?        ?        ?         ?        
1 1 1 1  42 7  o 449.7977 14.81962 2040.029   133.3167 2040.029   133.3167 ?          ?        449.7977 14.81962 ?        ?        ?         ?        
1 1 1 1  42 8  o 191.0074 6.088639 365.3444   23.25950 365.3444   23.25950 ?          ?        191.0074 6.088639 ?        ?        ?         ?        
1 1 1 1  42 9  o 655.4913 18.56423 4361.440   243.3738 4361.440   243.3738 ?          ?        655.4913 18.56423 ?        ?        ?         ?        
1 1 1 1  42 10 o 295.8923 8.819435 879.8900   52.19205 879.8900   52.19205 ?          ?        295.8923 8.819435 ?        ?        ?         ?        
1 1 1 1  42 11 o 147.1309 6.554832 217.2778   19.28837 217.2778   19.28837 ?          ?        147.1309 6.554832 ?        ?        ?         ?        
1 1 1 1  42 12 o 283.1619 7.813515 807.8422   44.24979 807.8422   44.24979 ?          ?        283.1619 7.813515 ?        ?        ?         ?        
1 1 1 1  42 13 o 208.2674 6.673620 436.8248   27.79794 436.8248   27.79794 ?          ?        208.2674 6.673620 ?        ?        ?         ?        
1 1 1 1  42 14 o 86.39173 9.193321 76.01886   15.88454 76.01886   15.88454 ?          ?        86.39173 9.193321 ?        ?        ?         ?        
1 1 1 1  42 15 o 145.7614 6.616421 215.0086   19.28837 215.0086   19.28837 ?          ?        145.7614 6.616421 ?        ?        ?         ?        
1 1 1 1  42 16 o 105.7223 7.780688 114.0283   16.45185 114.0283   16.45185 ?          ?        105.7223 7.780688 ?        ?        ?         ?        
1 1 1 1  43 0  o 176.9834 8.049272 315.4216   28.36525 315.4216   28.36525 315.4216   28.36525 176.9834 8.049272 176.9834 8.049272 -0.000000 0.000000 
1 1 1 1  43 1  o 855.6677 18.69651 7385.743   319.9600 7385.743   319.9600 ?          ?        855.6677 18.69651 ?        ?        ?         ?        
1 1 1 1  43 2  o 366.7257 8.508205 1347.349   62.40355 1347.349   62.40355 ?          ?        366.7257 8.508205 ?        ?        ?         ?        
1 1 1 1  43 3  o 287.4044 7.007313 827.1306   40.27865 827.1306   40.27865 ?          ?        287.4044 7.007313 ?        ?        ?         ?        
1 1 1 1  43 4  o 342.4440 7.869019 1174.889   53.89397 1174.889   53.89397 ?          ?        342.4440 7.869019 ?        ?        ?         ?        
1 1 1 1  43 5  f 408.3834 10.76590 1673.550   87.93227 1673.550   87.93227 ?          ?        408.3834 10.76590 ?        ?        ?         ?        
1 1 1 1  43 6  o 212.7604 6.132728 453.2767   26.09603 453.2767   26.09603 ?          ?        212.7604 6.132728 ?        ?        ?         ?        
1 1 1 1  43 7  o 197.1447 6.042975 389.1712   23.82681 389.1712   23.82681 ?          ?        197.1447 6.042975 ?        ?        ?         ?        
1 1 1 1  43 8  o 205.5450 6.210007 423.2095   25.52872 423.2095   25.52872 ?          ?        205.5450 6.210007 ?        ?        ?         ?        
1 1 1 1  43 9  o 82.96522 10.25680 69.21120   17.01915 69.21120   17.01915 ?          ?        82.96522 10.25680 ?        ?        ?         ?        
1 1 1 1  43 10 o 113.8735 9.465584 130.4801   21.55759 130.4801   21.55759 ?          ?        113.8735 9.465584 ?        ?        ?         ?        
1 1 1 1  43 11 o 599.4759 17.69646 3692.588   212.1721 3692.588   212.1721 ?          ?        599.4759 17.69646 ?        ?        ?         ?        
1 1 1 1  43 12 o 131.6024 6.681659 174.1626   17.58645 174.1626   17.58645 ?          ?        131.6024 6.681659 ?        ?        ?         ?        
1 1 1 1  43 13 o 392.2550 10.84699 1568.598   85.09574 1568.598   85.09574 ?          ?        392.2550 10.84699 ?        ?        ?         ?        
1 1 1 1  43 14 o 256.4601 6.967986 664.8814   35.74022 664.8814   35.74022 ?          ?        256.4601 6.967986 ?        ?        ?         ?        
1 1 1 1  43 15 o 230.7237 7.253480 540.0743   33.47099 540.0743   33.47099 ?          ?        230.7237 7.253480 ?        ?        ?         ?        
1 1 1 1  43 16 o 110.3136 7.713984 124.2398   17.01915 124.2398   17.01915 ?          ?        110.3136 7.713984 ?        ?        ?         ?        
1 1 1 1  44 0  o 260.6783 9.494243 683.0352   49.35553 683.0352   49.35553 683.0352   49.35553 260.6783 9.494243 260.6783 9.494243 -0.000000 0.000000 
1 1 1 1  44 1  o 418.5698 9.622923 1756.376   80.55730 1756.376   80.55730 ?          ?        418.5698 9.622923 ?        ?        ?         ?        
1 1 1 1  44 2  o 535.5776 11.91644 2880.208   127.6436 2880.208   127.6436 ?          ?        535.5776 11.91644 ?        ?        ?         ?        
1 1 1 1  44 3  o 883.6375 20.64065 7909.366   364.7771 7909.366   364.7771 ?          ?        883.6375 20.64065 ?        ?        ?         ?        
1 1 1 1  44 4  o 194.7113 5.972818 379.5270   23.25950 379.5270   23.25950 ?          ?        194.7113 5.972818 ?        ?        ?         ?        
1 1 1 1  44 5  o 510.1562 15.95752 2624.353   162.8165 2624.353   162.8165 ?          ?        510.1562 15.95752 ?        ?        ?         ?        
1 1 1 1  44 6  o 222.2522 6.253694 494.6899   27.79794 494.6899   27.79794 ?          ?        222.2522 6.253694 ?        ?        ?         ?        
1 1 1 1  44 7  o 167.2852 6.273803 280.2487   20.99029 280.2487   20.99029 ?          ?        167.2852 6.273803 ?        ?        ?         ?        
1 1 1 1  44 8  o 117.0207 7.514249 137.2878   17.58645 137.2878   17.58645 ?          ?        117.0207 7.514249 ?        ?        ?         ?        
1 1 1 1  44 9  o 576.7012 15.00153 3367.522   173.0280 3367.522   173.0280 ?          ?        576.7012 15.00153 ?        ?        ?         ?        
1 1 1 1  44 10 o 59.18512 13.68251 36.87482   15.88454 36.87482   15.88454 ?          ?        59.18512 13.68251 ?        ?        ?         ?        
1 1 1 1  44 11 o 159.4982 8.536346 256.4218   27.23064 256.4218   27.23064 ?          ?        159.4982 8.536346 ?        ?        ?         ?        
1 1 1 1  44 12 o 184.9310 6.902228 344.3541   25.52872 344.3541   25.52872 ?          ?        184.9310 6.902228 ?        ?        ?         ?        
1 1 1 1  44 13 o 493.8690 14.47356 2525.074   142.9609 2525.074   142.9609 ?          ?        493.8690 14.47356 ?        ?        ?         ?        
1 1 1 1  44 14 o 31.23692 13.81309 -3.971134  17.01915 -3.971134  17.01915 ?          ?        31.23692 13.81309 ?        ?        ?         ?        
1 1 1 1  44 15 o 101.6441 8.371930 105.5187   17.01915 105.5187   17.01915 ?          ?        101.6441 8.371930 ?        ?        ?         ?        
1 1 1 1  45 0  o 163.5109 9.787464 270.6045   31.76908 270.6045   31.76908 270.6045   31.76908 163.5109 9.787464 163.5109 9.787464 -0.000000 0.000000 
1 1 1 1  45 1  o 708.7535 15.56829 5060.360   220.6816 5060.360   220.6816 ?          ?        708.7535 15.56829 ?        ?        ?         ?        
1 1 1 1  45 2  o 281.6152 6.949917 794.2269   39.14404 794.2269   39.14404 ?          ?        281.6152 6.949917 ?        ?        ?         ?        
1 1 1 1  45 3  o 339.8740 7.928524 1157.302   53.89397 1157.302   53.89397 ?          ?        339.8740 7.928524 ?        ?        ?         ?        
1 1 1 1  45 4  o 129.9275 6.767797 169.0569   17.58645 169.0569   17.58645 ?          ?        129.9275 6.767797 ?        ?        ?         ?        
1 1 1 1  45 5  o 125.2335 7.247965 157.1435   18.15376 157.1435   18.15376 ?          ?        125.2335 7.247965 ?        ?        ?         ?        
1 1 1 1  45 6  o 205.7102 6.342910 423.7768   26.09603 423.7768   26.09603 ?          ?        205.7102 6.342910 ?        ?        ?         ?        
1 1 1 1  45 7  o 962.9855 24.65428 9517.675   474.8342 9517.675   474.8342 ?          ?        962.9855 24.65428 ?        ?        ?         ?        
1 1 1 1  45 8  o 162.4312 6.461287 264.3641   20.99029 264.3641   20.99029 ?          ?        162.4312 6.461287 ?        ?        ?         ?        
1 1 1 1  45 9  f 156.6974 6.335675 246.2104   19.85567 246.2104   19.85567 ?          ?        156.6974 6.335675 ?        ?        ?         ?        
1 1 1 1  45 10 o 183.7149 6.330326 338.6811   23.25950 338.6811   23.25950 ?          ?        183.7149 6.330326 ?        ?        ?         ?        
1 1 1 1  45 11 o 56.62416 13.24662 34.03830   14.74993 34.03830   14.74993 ?          ?        56.62416 13.24662 ?        ?        ?         ?        
1 1 1 1  45 12 o 236.5943 7.912728 565.0358   37.44213 565.0358   37.44213 ?          ?        236.5943 7.912728 ?        ?        ?         ?        
1 1 1 1  45 13 o 84.85931 11.36491 73.74965   19.28837 73.74965   19.28837 ?          ?        84.85931 11.36491 ?        ?        ?         ?        
1 1 1 1  45 14 o 115.3110 7.871651 135.0186   18.15376 135.0186   18.15376 ?          ?        115.3110 7.871651 ?        ?        ?         ?        
1 1 1 1  45 15 o 29.20176 13.09781 -5.673049  15.88454 -5.673049  15.88454 ?          ?        29.20176 13.09781 ?        ?        ?         ?        
1 1 1 1  46 0  o 100.5239 12.74738 106.0860   24.96142 106.0860   24.96142 106.0860   24.96142 100.5239 12.74738 100.5239 12.74738 -0.000000 0.000000 
1 1 1 1  46 1  o 616.4976 13.52703 3821.366   166.7877 3821.366   166.7877 ?          ?        616.4976 13.52703 ?        ?        ?         ?        
1 1 1 1  46 2  o 219.2074 6.211160 481.0746   27.23064 481.0746   27.23064 ?          ?        219.2074 6.211160 ?        ?        ?         ?        
1 1 1 1  46 3  o 78.13633 10.52765 61.26894   16.45185 61.26894   16.45185 ?          ?        78.13633 10.52765 ?        ?        ?         ?        
1 1 1 1  46 4  o 103.6930 8.206510 107.7879   17.01915 107.7879   17.01915 ?          ?        103.6930 8.206510 ?        ?        ?         ?        
1 1 1 1  46 5  o 271.5347 8.357017 739.1984   45.38440 739.1984   45.38440 ?          ?        271.5347 8.357017 ?        ?        ?         ?        
1 1 1 1  46 6  o 358.9396 9.641065 1292.888   69.21120 1292.888   69.21120 ?          ?        358.9396 9.641065 ?        ?        ?         ?        
1 1 1 1  46 7  o 361.7152 9.096574 1313.311   65.80738 1313.311   65.80738 ?          ?        361.7152 9.096574 ?        ?        ?         ?        
1 1 1 1  46 8  o 363.2977 9.056950 1325.792   65.80738 1325.792   65.80738 ?          ?        363.2977 9.056950 ?        ?        ?         ?        
1 1 1 1  46 9  o 147.3796 6.543770 217.8451   19.28837 217.8451   19.28837 ?          ?        147.3796 6.543770 ?        ?        ?         ?        
1 1 1 1  46 10 o 102.4326 8.030571 105.5187   16.45185 105.5187   16.45185 ?          ?        102.4326 8.030571 ?        ?        ?         ?        
1 1 1 1  46 11 f 92.10336 8.931187 85.66305   16.45185 85.66305   16.45185 ?          ?        92.10336 8.931187 ?        ?        ?         ?        
1 1 1 1  46 12 o 245.0940 6.828196 605.3144   33.47099 605.3144   33.47099 ?          ?        245.0940 6.828196 ?        ?        ?         ?        
1 1 1 1  46 13 o 465.6617 12.79191 2248.229   119.1340 2248.229   119.1340 ?          ?        465.6617 12.79191 ?        ?        ?         ?        
1 1 1 1  46 14 o 123.1444 7.140580 153.7396   17.58645 153.7396   17.58645 ?          ?        123.1444 7.140580 ?        ?        ?         ?        
1 1 1 1  46 15 o 204.1496 7.780832 424.9114   31.76908 424.9114   31.76908 ?          ?        204.1496 7.780832 ?        ?        ?         ?        
1 1 1 1  47 0  o 172.7091 9.253287 301.2389   31.76908 301.2389   31.76908 301.2389   31.76908 172.7091 9.253287 172.7091 9.253287 -0.000000 0.000000 
1 1 1 1  47 1  o 316.2241 7.714187 1001.861   48.78823 1001.861   48.78823 ?          ?        316.2241 7.714187 ?        ?        ?         ?        
1 1 1 1  47 2  o 366.8498 8.505326 1349.051   62.40355 1349.051   62.40355 ?          ?        366.8498 8.505326 ?        ?        ?         ?        
1 1 1 1  47 3  o 194.6667 6.411324 379.5270   24.96142 379.5270   24.96142 ?          ?        194.6667 6.411324 ?        ?        ?         ?        
1 1 1 1  47 4  f 128.1377 7.305056 164.5184   18.72106 164.5184   18.72106 ?          ?        128.1377 7.305056 ?        ?        ?         ?        
1 1 1 1  47 5  o 474.9369 12.36292 2268.085   117.4321 2268.085   117.4321 ?          ?        474.9369 12.36292 ?        ?        ?         ?        
1 1 1 1  47 6  o 312.5039 7.624483 979.1684   47.65361 979.1684   47.65361 ?          ?        312.5039 7.624483 ?        ?        ?         ?        
1 1 1 1  47 7  o 561.5204 12.62877 3176.908   141.8262 3176.908   141.8262 ?          ?        561.5204 12.62877 ?        ?        ?         ?        
1 1 1 1  47 8  o 170.8527 6.640867 292.7294   22.69220 292.7294   22.69220 ?          ?        170.8527 6.640867 ?        ?        ?         ?        
1 1 1 1  47 9  o 54.91223 13.92181 31.76908   15.31723 31.76908   15.31723 ?          ?        54.91223 13.92181 ?        ?        ?         ?        
1 1 1 1  47 10 o 300.7714 7.544667 910.5245   45.38440 910.5245   45.38440 ?          ?        300.7714 7.544667 ?        ?        ?         ?        
1 1 1 1  47 11 o 141.0418 6.837822 200.2587   19.28837 200.2587   19.28837 ?          ?        141.0418 6.837822 ?        ?        ?         ?        
1 1 1 1  47 12 o 80.67868 10.89907 66.37468   17.58645 66.37468   17.58645 ?          ?        80.67868 10.89907 ?        ?        ?         ?        
1 1 1 1  47 13 o 354.4991 9.441772 1282.109   66.94199 1282.109   66.94199 ?          ?        354.4991 9.441772 ?        ?        ?         ?        
1 1 1 1  47 14 o 124.9121 8.856186 159.4127   22.12490 159.4127   22.12490 ?          ?        124.9121 8.856186 ?        ?        ?         ?        
1 1 1 1  47 15 o 287.0760 8.991481 847.5536   51.62476 847.5536   51.62476 ?          ?        287.0760 8.991481 ?        ?        ?         ?        
1 1 1 1  48 0  o 310.2081 10.81864 967.8223   66.94199 967.8223   66.94199 967.8223   66.94199 310.2081 10.81864 310.2081 10.81864 -0.000000 0.000000 
1 1 1 1  48 1  o 646.5466 14.30225 4211.672   184.9414 4211.672   184.9414 ?          ?        646.5466 14.30225 ?        ?        ?         ?        
1 1 1 1  48 2  o 205.8325 6.476951 424.3441   26.66333 424.3441   26.66333 ?          ?        205.8325 6.476951 ?        ?        ?         ?        
1 1 1 1  48 3  o 343.6729 8.088488 1183.965   55.59589 1183.965   55.59589 ?          ?        343.6729 8.088488 ?        ?        ?         ?        
1 1 1 1  48 4  o 162.6393 6.627425 264.9314   21.55759 264.9314   21.55759 ?          ?        162.6393 6.627425 ?        ?        ?         ?        
1 1 1 1  48 5  o 248.3129 6.853914 617.7951   34.03830 617.7951   34.03830 ?          ?        248.3129 6.853914 ?        ?        ?         ?        
1 1 1 1  48 6  o 278.8242 7.731606 779.4771   43.11518 779.4771   43.11518 ?          ?        278.8242 7.731606 ?        ?        ?         ?        
1 1 1 1  48 7  o 673.9689 17.33980 4617.295   233.7296 4617.295   233.7296 ?          ?        673.9689 17.33980 ?        ?        ?         ?        
1 1 1 1  48 8  o 296.2842 7.850403 881.5919   46.51900 881.5919   46.51900 ?          ?        296.2842 7.850403 ?        ?        ?         ?        
1 1 1 1  48 9  o 472.9590 10.73535 2260.143   101.5476 2260.143   101.5476 ?          ?        472.9590 10.73535 ?        ?        ?         ?        
1 1 1 1  48 10 o 138.0073 7.399240 191.7491   20.42298 191.7491   20.42298 ?          ?        138.0073 7.399240 ?        ?        ?         ?        
1 1 1 1  48 11 o 133.7956 7.208147 180.4030   19.28837 180.4030   19.28837 ?          ?        133.7956 7.208147 ?        ?        ?         ?        
1 1 1 1  48 12 o 70.66518 11.23930 51.05745   15.88454 51.05745   15.88454 ?          ?        70.66518 11.23930 ?        ?        ?         ?        
1 1 1 1  48 13 o 85.41170 9.963009 74.88425   17.01915 74.88425   17.01915 ?          ?        85.41170 9.963009 ?        ?        ?         ?        
1 1 1 1  48 14 o 107.5982 7.908662 117.9994   17.01915 117.9994   17.01915 ?          ?        107.5982 7.908662 ?        ?        ?         ?        
1 1 1 1  48 15 o 140.3757 7.476467 200.8260   20.99029 200.8260   20.99029 ?          ?        140.3757 7.476467 ?        ?        ?         ?        
1 1 1 1  49 0  o 67.66566 21.89352 58.43241   26.09603 58.43241   26.09603 58.43241   26.09603 67.66566 21.89352 67.66566 21.89352 -0.000000 0.000000 
1 1 1 1  49 1  o 384.2824 9.079067 1481.233   69.77851 1481.233   69.77851 ?          ?        384.2824 9.079067 ?        ?        ?         ?        
1 1 1 1  49 2  o 155.6807 7.105857 242.8065   22.12490 242.8065   22.12490 ?          ?        155.6807 7.105857 ?        ?        ?         ?        
1 1 1 1  49 3  o 565.1550 12.54755 3212.081   141.8262 3212.081   141.8262 ?          ?        565.1550 12.54755 ?        ?        ?         ?        
1 1 1 1  49 4  o 392.0204 9.116929 1541.935   71.48043 1541.935   71.48043 ?          ?        392.0204 9.116929 ?        ?        ?         ?        
1 1 1 1  49 5  f 582.2987 15.10089 3426.522   175.8645 3426.522   175.8645 ?          ?        582.2987 15.10089 ?        ?        ?         ?        
1 1 1 1  49 6  o 173.3611 6.708398 301.2389   23.25950 301.2389   23.25950 ?          ?        173.3611 6.708398 ?        ?        ?         ?        
1 1 1 1  49 7  f 220.6891 6.683579 488.4496   29.49986 488.4496   29.49986 ?          ?        220.6891 6.683579 ?        ?        ?         ?        
1 1 1 1  49 8  f 172.9709 6.559544 300.1043   22.69220 300.1043   22.69220 ?          ?        172.9709 6.559544 ?        ?        ?         ?        
1 1 1 1  49 9  o 615.0017 14.75911 3862.212   181.5376 3862.212   181.5376 ?          ?        615.0017 14.75911 ?        ?        ?         ?        
1 1 1 1  49 10 o 149.6074 7.015123 225.2201   20.99029 225.2201   20.99029 ?          ?        149.6074 7.015123 ?        ?        ?         ?        
1 1 1 1  49 11 o 330.2249 8.675572 1103.975   57.29780 1103.975   57.29780 ?          ?        330.2249 8.675572 ?        ?        ?         ?        
1 1 1 1  49 12 o 69.27613 11.46465 49.35553   15.88454 49.35553   15.88454 ?          ?        69.27613 11.46465 ?        ?        ?         ?        
1 1 1 1  49 13 o 88.55196 8.969050 79.99000   15.88454 79.99000   15.88454 ?          ?        88.55196 8.969050 ?        ?        ?         ?        
1 1 1 1  49 14 o 281.2686 7.563566 805.5731   42.54787 805.5731   42.54787 ?          ?        281.2686 7.563566 ?        ?        ?         ?        
1 1 1 1  50 0  o 60.47588 24.81579 51.62476   29.49986 51.62476   29.49986 51.62476   29.49986 60.47588 24.81579 60.47588 24.81579 -0.000000 0.000000 
1 1 1 1  50 1  o 75.49941 12.02245 57.29780   18.15376 57.29780   18.15376 ?          ?        75.49941 12.02245 ?        ?        ?         ?        
1 1 1 1  50 2  o 149.9222 7.378794 225.2201   22.12490 225.2201   22.12490 ?          ?        149.9222 7.378794 ?        ?        ?         ?        
1 1 1 1  50 3  o 604.0193 13.43080 3675.569   162.2492 3675.569   162.2492 ?          ?        604.0193 13.43080 ?        ?        ?         ?        
1 1 1 1  50 4  o 166.6882 7.317287 278.5467   24.39412 278.5467   24.39412 ?          ?        166.6882 7.317287 ?        ?        ?         ?        
1 1 1 1  50 5  o 341.2460 10.39032 1170.350   70.91312 1170.350   70.91312 ?          ?        341.2460 10.39032 ?        ?        ?         ?        
1 1 1 1  50 6  o 44.58205 15.75766 17.58645   17.58645 17.58645   17.58645 ?          ?        44.58205 15.75766 ?        ?        ?         ?        
1 1 1 1  50 7  o 608.9095 14.39436 3760.665   175.2972 3760.665   175.2972 ?          ?        608.9095 14.39436 ?        ?        ?         ?        
1 1 1 1  50 8  o 127.4928 7.564492 163.3838   19.28837 163.3838   19.28837 ?          ?        127.4928 7.564492 ?        ?        ?         ?        
1 1 1 1  50 9  o 93.18645 10.04495 87.93227   18.72106 87.93227   18.72106 ?          ?        93.18645 10.04495 ?        ?        ?         ?        
1 1 1 1  50 10 o 100.4539 9.035863 102.1149   18.15376 102.1149   18.15376 ?          ?        100.4539 9.035863 ?        ?        ?         ?        
1 1 1 1  50 11 o 78.12383 11.61858 62.40355   18.15376 62.40355   18.15376 ?          ?        78.12383 11.61858 ?        ?        ?         ?        
1 1 1 1  50 12 o 114.2136 7.698930 132.1821   17.58645 132.1821   17.58645 ?          ?        114.2136 7.698930 ?        ?        ?         ?        
1 1 1 1  50 13 o 201.1068 6.770195 409.5942   27.23064 409.5942   27.23064 ?          ?        201.1068 6.770195 ?        ?        ?         ?        
1 1 1 1  50 14 o 215.1989 6.854092 470.2958   29.49986 470.2958   29.49986 ?          ?        215.1989 6.854092 ?        ?        ?         ?        
1 1 1 1  51 0  o 31.79531 20.29965 3.971134   27.79794 3.971134   27.79794 3.971134   27.79794 31.79531 20.29965 31.79531 20.29965 -0.000000 0.000000 
1 1 1 1  51 1  f 114.0278 9.204020 130.4801   20.99029 130.4801   20.99029 ?          ?        114.0278 9.204020 ?        ?        ?         ?        
1 1 1 1  51 2  o 110.9966 9.199820 123.6725   20.42298 123.6725   20.42298 ?          ?        110.9966 9.199820 ?        ?        ?         ?        
1 1 1 1  51 3  o 615.7539 13.77370 3824.770   169.6242 3824.770   169.6242 ?          ?        615.7539 13.77370 ?        ?        ?         ?        
1 1 1 1  51 4  o 219.7461 6.841341 483.9111   30.06716 483.9111   30.06716 ?          ?        219.7461 6.841341 ?        ?        ?         ?        
1 1 1 1  51 5  o 709.7880 15.78538 5106.879   224.0854 5106.879   224.0854 ?          ?        709.7880 15.78538 ?        ?        ?         ?        
1 1 1 1  51 6  o 77.51969 12.07504 60.70163   18.72106 60.70163   18.72106 ?          ?        77.51969 12.07504 ?        ?        ?         ?        
1 1 1 1  51 7  o 349.2230 8.447285 1225.946   58.99971 1225.946   58.99971 ?          ?        349.2230 8.447285 ?        ?        ?         ?        
1 1 1 1  51 8  o 112.3635 8.330577 127.0763   18.72106 127.0763   18.72106 ?          ?        112.3635 8.330577 ?        ?        ?         ?        
1 1 1 1  51 9  o 229.7633 6.913436 530.9974   31.76908 530.9974   31.76908 ?          ?        229.7633 6.913436 ?        ?        ?         ?        
1 1 1 1  51 10 o 38.84907 14.95980 10.77879   16.45185 10.77879   16.45185 ?          ?        38.84907 14.95980 ?        ?        ?         ?        
1 1 1 1  51 11 o 412.9535 9.685111 1734.251   79.99000 1734.251   79.99000 ?          ?        412.9535 9.685111 ?        ?        ?         ?        
1 1 1 1  51 12 o 42.93856 15.23439 17.58645   16.45185 17.58645   16.45185 ?          ?        42.93856 15.23439 ?        ?        ?         ?        
1 1 1 1  51 13 o 346.0630 8.442453 1222.542   58.43241 1222.542   58.43241 ?          ?        346.0630 8.442453 ?        ?        ?         ?        
1 1 1 1  51 14 o 216.0070 7.091081 474.8342   30.63447 474.8342   30.63447 ?          ?        216.0070 7.091081 ?        ?        ?         ?        
1 1 1 1  52 0  o 130.2898 12.17200 174.7299   31.20177 174.7299   31.20177 174.7299   31.20177 130.2898 12.17200 130.2898 12.17200 -0.000000 0.000000 
1 1 1 1  52 1  o 129.5975 8.317128 168.4896   21.55759 168.4896   21.55759 ?          ?        129.5975 8.317128 ?        ?        ?         ?        
1 1 1 1  52 2  o 90.14367 11.01335 81.69191   19.85567 81.69191   19.85567 ?          ?        90.14367 11.01335 ?        ?        ?         ?        
1 1 1 1  52 3  o 472.7465 10.74017 2247.095   101.5476 2247.095   101.5476 ?          ?        472.7465 10.74017 ?        ?        ?         ?        
1 1 1 1  52 4  o 240.3505 6.962954 579.2183   33.47099 579.2183   33.47099 ?          ?        240.3505 6.962954 ?        ?        ?         ?        
1 1 1 1  52 5  o 138.1516 8.418110 191.7491   23.25950 191.7491   23.25950 ?          ?        138.1516 8.418110 ?        ?        ?         ?        
1 1 1 1  52 6  o 83.17470 11.25406 69.77851   18.72106 69.77851   18.72106 ?          ?        83.17470 11.25406 ?        ?        ?         ?        
1 1 1 1  52 7  o 204.8827 6.783870 421.5076   27.79794 421.5076   27.79794 ?          ?        204.8827 6.783870 ?        ?        ?         ?        
1 1 1 1  52 8  o 100.1935 9.625558 101.5476   19.28837 101.5476   19.28837 ?          ?        100.1935 9.625558 ?        ?        ?         ?        
1 1 1 1  52 9  o 50.13230 15.45178 26.09603   17.01915 26.09603   17.01915 ?          ?        50.13230 15.45178 ?        ?        ?         ?        
1 1 1 1  52 10 o 89.40150 9.518380 81.12460   17.01915 81.12460   17.01915 ?          ?        89.40150 9.518380 ?        ?        ?         ?        
1 1 1 1  52 11 o 206.0520 6.745372 428.8826   27.79794 428.8826   27.79794 ?          ?        206.0520 6.745372 ?        ?        ?         ?        
1 1 1 1  52 12 o 73.11925 10.86208 55.02858   15.88454 55.02858   15.88454 ?          ?        73.11925 10.86208 ?        ?        ?         ?        
1 1 1 1  52 13 o 205.2710 7.185587 428.3152   29.49986 428.3152   29.49986 ?          ?        205.2710 7.185587 ?        ?        ?         ?        
1 1 1 1  53 0  o 36.17628 22.72403 8.509575   33.47099 8.509575   33.47099 8.509575   33.47099 36.17628 22.72403 36.17628 22.72403 -0.000000 0.000000 
1 1 1 1  53 1  o 229.4297 6.923489 527.5936   31.76908 527.5936   31.76908 ?          ?        229.4297 6.923489 ?        ?        ?         ?        
1 1 1 1  53 2  f 179.8989 7.095296 324.4984   25.52872 324.4984   25.52872 ?          ?        179.8989 7.095296 ?        ?        ?         ?        
1 1 1 1  53 3  o 400.1602 9.285900 1608.877   74.31695 1608.877   74.31695 ?          ?        400.1602 9.285900 ?        ?        ?         ?        
1 1 1 1  53 4  o 151.1286 7.319890 229.1912   22.12490 229.1912   22.12490 ?          ?        151.1286 7.319890 ?        ?        ?         ?        
1 1 1 1  53 5  o 337.4841 8.236815 1144.254   55.59589 1144.254   55.59589 ?          ?        337.4841 8.236815 ?        ?        ?         ?        
1 1 1 1  53 6  o 206.1187 7.018421 426.6133   28.93255 426.6133   28.93255 ?          ?        206.1187 7.018421 ?        ?        ?         ?        
1 1 1 1  53 7  o 111.4985 9.158413 125.3744   20.42298 125.3744   20.42298 ?          ?        111.4985 9.158413 ?        ?        ?         ?        
1 1 1 1  53 8  o 208.7554 6.386263 437.9594   26.66333 437.9594   26.66333 ?          ?        208.7554 6.386263 ?        ?        ?         ?        
1 1 1 1  53 9  o 218.2242 6.629087 479.3727   28.93255 479.3727   28.93255 ?          ?        218.2242 6.629087 ?        ?        ?         ?        
1 1 1 1  53 10 o 83.37257 10.88713 70.91312   18.15376 70.91312   18.15376 ?          ?        83.37257 10.88713 ?        ?        ?         ?        
1 1 1 1  53 11 o 112.0906 8.350862 127.6436   18.72106 127.6436   18.72106 ?          ?        112.0906 8.350862 ?        ?        ?         ?        
1 1 1 1  53 12 o 89.57974 9.499441 82.25922   17.01915 82.25922   17.01915 ?          ?        89.57974 9.499441 ?        ?        ?         ?        
1 1 1 1  53 13 o 512.5443 11.95388 2748.025   122.5379 2748.025   122.5379 ?          ?        512.5443 11.95388 ?        ?        ?         ?        
1 1 1 1  54 0  o 137.5645 11.70997 194.0183   31.76908 194.0183   31.76908 194.0183   31.76908 137.5645 11.70997 137.5645 11.70997 -0.000000 0.000000 
1 1 1 1  54 1  o 81.48498 12.18364 66.94199   19.85567 66.94199   19.85567 ?          ?        81.48498 12.18364 ?        ?        ?         ?        
1 1 1 1  54 2  o 342.5807 8.279873 1178.292   56.73050 1178.292   56.73050 ?          ?        342.5807 8.279873 ?        ?        ?         ?        
1 1 1 1  54 3  o 87.36366 12.66253 77.15348   22.12490 77.15348   22.12490 ?          ?        87.36366 12.66253 ?        ?        ?         ?        
1 1 1 1  54 4  o 188.7412 6.913177 357.4021   26.09603 357.4021   26.09603 ?          ?        188.7412 6.913177 ?        ?        ?         ?        
1 1 1 1  54 5  o 217.2612 6.789029 473.6996   29.49986 473.6996   29.49986 ?          ?        217.2612 6.789029 ?        ?        ?         ?        
1 1 1 1  54 6  o 128.0869 8.415218 165.0858   21.55759 165.0858   21.55759 ?          ?        128.0869 8.415218 ?        ?        ?         ?        
1 1 1 1  54 7  o 382.2874 8.978050 1476.128   68.64390 1476.128   68.64390 ?          ?        382.2874 8.978050 ?        ?        ?         ?        
1 1 1 1  54 8  o 135.1120 6.927982 183.8068   18.72106 183.8068   18.72106 ?          ?        135.1120 6.927982 ?        ?        ?         ?        
1 1 1 1  54 9  o 214.8796 6.732270 465.1901   28.93255 465.1901   28.93255 ?          ?        214.8796 6.732270 ?        ?        ?         ?        
1 1 1 1  54 10 o 88.87977 9.893395 80.55730   17.58645 80.55730   17.58645 ?          ?        88.87977 9.893395 ?        ?        ?         ?        
1 1 1 1  54 11 o 234.2207 7.145184 555.9589   33.47099 555.9589   33.47099 ?          ?        234.2207 7.145184 ?        ?        ?         ?        
1 1 1 1  54 12 o 58.37023 14.20688 37.44213   16.45185 37.44213   16.45185 ?          ?        58.37023 14.20688 ?        ?        ?         ?        
1 1 1 1  54 13 o 310.2339 8.228864 985.4087   51.05745 985.4087   51.05745 ?          ?        310.2339 8.228864 ?        ?        ?         ?        
1 1 1 1  55 0  o 40.73838 23.16125 22.69220   28.93255 22.69220   28.93255 22.69220   28.93255 40.73838 23.16125 40.73838 23.16125 -0.000000 0.000000 
1 1 1 1  55 1  f 74.66885 14.57552 58.43241   20.99029 58.43241   20.99029 ?          ?        74.66885 14.57552 ?        ?        ?         ?        
1 1 1 1  55 2  o 287.3984 7.698337 829.3998   44.24979 829.3998   44.24979 ?          ?        287.3984 7.698337 ?        ?        ?         ?        
1 1 1 1  55 3  o 248.2163 7.313686 618.3624   36.30752 618.3624   36.30752 ?          ?        248.2163 7.313686 ?        ?        ?         ?        
1 1 1 1  55 4  o 242.3255 7.023259 589.4299   34.03830 589.4299   34.03830 ?          ?        242.3255 7.023259 ?        ?        ?         ?        
1 1 1 1  55 5  o 247.8715 7.209423 617.2278   35.74022 617.2278   35.74022 ?          ?        247.8715 7.209423 ?        ?        ?         ?        
1 1 1 1  55 6  o 254.4393 7.023329 651.2661   35.74022 651.2661   35.74022 ?          ?        254.4393 7.023329 ?        ?        ?         ?        
1 1 1 1  55 7  o 430.9019 10.00580 1880.049   86.23035 1880.049   86.23035 ?          ?        430.9019 10.00580 ?        ?        ?         ?        
1 1 1 1  55 8  o 81.94516 12.11522 68.64390   19.85567 68.64390   19.85567 ?          ?        81.94516 12.11522 ?        ?        ?         ?        
1 1 1 1  55 9  o 280.6038 7.480400 794.7943   41.98057 794.7943   41.98057 ?          ?        280.6038 7.480400 ?        ?        ?         ?        
1 1 1 1  55 10 o 53.35075 15.86243 30.63447   18.15376 30.63447   18.15376 ?          ?        53.35075 15.86243 ?        ?        ?         ?        
1 1 1 1  55 11 o 171.6657 6.939887 298.4024   23.82681 298.4024   23.82681 ?          ?        171.6657 6.939887 ?        ?        ?         ?        
1 1 1 1  55 12 o 64.23806 14.07376 45.38440   17.58645 45.38440   17.58645 ?          ?        64.23806 14.07376 ?        ?        ?         ?        
1 1 1 1  56 0  o 143.8228 11.38149 211.6048   32.33638 211.6048   32.33638 211.6048   32.33638 143.8228 11.38149 143.8228 11.38149 -0.000000 0.000000 
1 1 1 1  56 1  o 326.6011 8.250732 1071.639   53.89397 1071.639   53.89397 ?          ?        326.6011 8.250732 ?        ?        ?         ?        
1 1 1 1  56 2  o 189.4569 7.186500 360.2386   27.23064 360.2386   27.23064 ?          ?        189.4569 7.186500 ?        ?        ?         ?        
1 1 1 1  56 3  o 202.0067 6.740036 409.5942   27.23064 409.5942   27.23064 ?          ?        202.0067 6.740036 ?        ?        ?         ?        
1 1 1 1  56 4  o 299.0242 8.821921 900.3129   52.75936 900.3129   52.75936 ?          ?        299.0242 8.821921 ?        ?        ?         ?        
1 1 1 1  56 5  o 598.1827 13.51442 3652.309   161.6819 3652.309   161.6819 ?          ?        598.1827 13.51442 ?        ?        ?         ?        
1 1 1 1  56 6  o 122.7278 8.782685 152.0377   21.55759 152.0377   21.55759 ?          ?        122.7278 8.782685 ?        ?        ?         ?        
1 1 1 1  56 7  o 112.9798 9.540462 129.3455   21.55759 129.3455   21.55759 ?          ?        112.9798 9.540462 ?        ?        ?         ?        
1 1 1 1  56 8  o 219.4841 6.978745 485.6130   30.63447 485.6130   30.63447 ?          ?        219.4841 6.978745 ?        ?        ?         ?        
1 1 1 1  56 9  o 57.49372 14.73378 35.74022   17.01915 35.74022   17.01915 ?          ?        57.49372 14.73378 ?        ?        ?         ?        
1 1 1 1  56 10 o 112.5828 8.818254 129.3455   19.85567 129.3455   19.85567 ?          ?        112.5828 8.818254 ?        ?        ?         ?        
1 1 1 1  56 11 f 189.1573 6.897972 362.5079   26.09603 362.5079   26.09603 ?          ?        189.1573 6.897972 ?        ?        ?         ?        
1 1 1 1  56 12 o 140.3679 7.072727 200.2587   19.85567 200.2587   19.85567 ?          ?        140.3679 7.072727 ?        ?        ?         ?        
1 1 1 1  57 0  o 73.66544 23.28403 69.21120   30.06716 69.21120   30.06716 69.21120   30.06716 73.66544 23.28403 73.66544 23.28403 -0.000000 0.000000 
1 1 1 1  57 1  o 250.6800 7.468111 631.4105   37.44213 631.4105   37.44213 ?          ?        250.6800 7.468111 ?        ?        ?         ?        
1 1 1 1  57 2  o 293.4765 7.538898 865.7074   44.24979 865.7074   44.24979 ?          ?        293.4765 7.538898 ?        ?        ?         ?        
1 1 1 1  57 3  o 550.7060 12.46471 3074.226   137.2878 3074.226   137.2878 ?          ?        550.7060 12.46471 ?        ?        ?         ?        
1 1 1 1  57 4  o 206.3110 7.424341 428.3152   30.63447 428.3152   30.63447 ?          ?        206.3110 7.424341 ?        ?        ?         ?        
1 1 1 1  57 5  o 263.2386 7.542843 697.7851   39.71135 697.7851   39.71135 ?          ?        263.2386 7.542843 ?        ?        ?         ?        
1 1 1 1  57 6  o 388.0175 9.137876 1523.214   70.91312 1523.214   70.91312 ?          ?        388.0175 9.137876 ?        ?        ?         ?        
1 1 1 1  57 7  o 266.7848 7.229935 717.6408   38.57674 717.6408   38.57674 ?          ?        266.7848 7.229935 ?        ?        ?         ?        
1 1 1 1  57 8  o 109.8501 9.554059 122.5379   20.99029 122.5379   20.99029 ?          ?        109.8501 9.554059 ?        ?        ?         ?        
1 1 1 1  57 9  o 187.9842 7.091907 357.4021   26.66333 357.4021   26.66333 ?          ?        187.9842 7.091907 ?        ?        ?         ?        
1 1 1 1  57 10 o 221.7997 7.417433 498.6611   32.90369 498.6611   32.90369 ?          ?        221.7997 7.417433 ?        ?        ?         ?        
1 1 1 1  57 11 o 153.6721 7.198734 239.9700   22.12490 239.9700   22.12490 ?          ?        153.6721 7.198734 ?        ?        ?         ?        
1 1 1 1  57 12 o 101.7646 10.03442 107.2206   20.42298 107.2206   20.42298 ?          ?        101.7646 10.03442 ?        ?        ?         ?        
1 1 1 1  58 0  o 290.4731 11.16823 852.0920   64.67276 852.0920   64.67276 852.0920   64.67276 290.4731 11.16823 290.4731 11.16823 -0.000000 0.000000 
1 1 1 1  58 1  o 94.33424 12.32824 90.20149   23.25950 90.20149   23.25950 ?          ?        94.33424 12.32824 ?        ?        ?         ?        
1 1 1 1  58 2  o 144.0414 7.876973 208.7682   22.69220 208.7682   22.69220 ?          ?        144.0414 7.876973 ?        ?        ?         ?        
1 1 1 1  58 3  o 234.0688 7.271002 551.4204   34.03830 551.4204   34.03830 ?          ?        234.0688 7.271002 ?        ?        ?         ?        
1 1 1 1  58 4  o 239.2197 8.655907 577.5164   41.41326 577.5164   41.41326 ?          ?        239.2197 8.655907 ?        ?        ?         ?        
1 1 1 1  58 5  o 164.2635 7.252616 271.7391   23.82681 271.7391   23.82681 ?          ?        164.2635 7.252616 ?        ?        ?         ?        
1 1 1 1  58 6  o 203.5658 7.106436 417.5364   28.93255 417.5364   28.93255 ?          ?        203.5658 7.106436 ?        ?        ?         ?        
1 1 1 1  58 7  o 494.1868 11.36477 2494.440   112.3264 2494.440   112.3264 ?          ?        494.1868 11.36477 ?        ?        ?         ?        
1 1 1 1  58 8  f 117.2854 8.464681 139.5570   19.85567 139.5570   19.85567 ?          ?        117.2854 8.464681 ?        ?        ?         ?        
1 1 1 1  58 9  o 101.1135 10.09904 104.9514   20.42298 104.9514   20.42298 ?          ?        101.1135 10.09904 ?        ?        ?         ?        
1 1 1 1  58 10 o 47.57471 16.06295 23.25950   18.15376 23.25950   18.15376 ?          ?        47.57471 16.06295 ?        ?        ?         ?        
1 1 1 1  58 11 o 278.9814 7.727250 793.0923   43.11518 793.0923   43.11518 ?          ?        278.9814 7.727250 ?        ?        ?         ?        
1 1 1 1  59 0  o 20.42519 14.97394 -64.10546  32.90369 -64.10546  32.90369 -64.10546  32.90369 20.42519 14.97394 20.42519 14.97394 -0.000000 0.000000 
1 1 1 1  59 1  o 172.2664 7.738981 298.9697   26.66333 298.9697   26.66333 ?          ?        172.2664 7.738981 ?        ?        ?         ?        
1 1 1 1  59 2  o 113.9880 10.20261 131.6148   23.25950 131.6148   23.25950 ?          ?        113.9880 10.20261 ?        ?        ?         ?        
1 1 1 1  59 3  o 84.95894 13.35480 73.74965   22.69220 73.74965   22.69220 ?          ?        84.95894 13.35480 ?        ?        ?         ?        
1 1 1 1  59 4  o 107.4583 12.67033 117.9994   27.23064 117.9994   27.23064 ?          ?        107.4583 12.67033 ?        ?        ?         ?        
1 1 1 1  59 5  o 323.7181 8.061343 1058.024   52.19205 1058.024   52.19205 ?          ?        323.7181 8.061343 ?        ?        ?         ?        
1 1 1 1  59 6  o 260.6400 7.291558 685.3044   38.00943 685.3044   38.00943 ?          ?        260.6400 7.291558 ?        ?        ?         ?        
1 1 1 1  59 7  o 211.2513 7.250718 450.4402   30.63447 450.4402   30.63447 ?          ?        211.2513 7.250718 ?        ?        ?         ?        
1 1 1 1  59 8  o 104.9508 10.54061 112.8937   22.12490 112.8937   22.12490 ?          ?        104.9508 10.54061 ?        ?        ?         ?        
1 1 1 1  59 9  o 245.3482 7.283569 609.8528   35.74022 609.8528   35.74022 ?          ?        245.3482 7.283569 ?        ?        ?         ?        
1 1 1 1  59 10 o 50.40751 16.30641 27.23064   18.72106 27.23064   18.72106 ?          ?        50.40751 16.30641 ?        ?        ?         ?        
1 1 1 1  59 11 o 200.1483 7.227780 407.8922   28.93255 407.8922   28.93255 ?          ?        200.1483 7.227780 ?        ?        ?         ?        
1 1 1 1  60 0  o 609.9132 19.62409 3818.530   238.8354 3818.530   238.8354 3818.530   238.8354 609.9132 19.62409 609.9132 19.62409 -0.000000 0.000000 
1 1 1 1  60 1  o 392.2888 9.544531 1556.117   74.88425 1556.117   74.88425 ?          ?        392.2888 9.544531 ?        ?        ?         ?        
1 1 1 1  60 2  o 176.4464 7.716404 313.7196   27.23064 313.7196   27.23064 ?          ?        176.4464 7.716404 ?        ?        ?         ?        
1 1 1 1  60 3  o 348.6028 8.625051 1228.215   60.13433 1228.215   60.13433 ?          ?        348.6028 8.625051 ?        ?        ?         ?        
1 1 1 1  60 4  o 203.9107 6.816205 418.6711   27.79794 418.6711   27.79794 ?          ?        203.9107 6.816205 ?        ?        ?         ?        
1 1 1 1  60 5  o 143.5169 8.103400 208.2009   23.25950 208.2009   23.25950 ?          ?        143.5169 8.103400 ?        ?        ?         ?        
1 1 1 1  60 6  o 198.6326 7.425735 398.2480   29.49986 398.2480   29.49986 ?          ?        198.6326 7.425735 ?        ?        ?         ?        
1 1 1 1  60 7  o 125.5639 9.036119 160.5473   22.69220 160.5473   22.69220 ?          ?        125.5639 9.036119 ?        ?        ?         ?        
1 1 1 1  60 8  o 150.0722 8.127459 229.1912   24.39412 229.1912   24.39412 ?          ?        150.0722 8.127459 ?        ?        ?         ?        
1 1 1 1  60 9  o 400.2024 9.639307 1642.915   77.15348 1642.915   77.15348 ?          ?        400.2024 9.639307 ?        ?        ?         ?        
1 1 1 1  60 10 o 147.0946 7.906307 220.6816   23.25950 220.6816   23.25950 ?          ?        147.0946 7.906307 ?        ?        ?         ?        
1 1 1 1  60 11 o 207.8322 6.960557 439.0940   28.93255 439.0940   28.93255 ?          ?        207.8322 6.960557 ?        ?        ?         ?        
1 1 1 1  61 0  o 81.07772 23.04295 81.69191   32.33638 81.69191   32.33638 81.69191   32.33638 81.07772 23.04295 81.07772 23.04295 -0.000000 0.000000 
1 1 1 1  61 1  o 181.0857 7.675357 330.7388   27.79794 330.7388   27.79794 ?          ?        181.0857 7.675357 ?        ?        ?         ?        
1 1 1 1  61 2  f 65.98580 17.07000 47.08631   22.69220 47.08631   22.69220 ?          ?        65.98580 17.07000 ?        ?        ?         ?        
1 1 1 1  61 3  o 83.36497 13.61015 71.48043   22.69220 71.48043   22.69220 ?          ?        83.36497 13.61015 ?        ?        ?         ?        
1 1 1 1  61 4  o 35.96261 15.74557 -3.403830  21.55759 -3.403830  21.55759 ?          ?        35.96261 15.74557 ?        ?        ?         ?        
1 1 1 1  61 5  o 238.4679 7.136873 573.5453   34.03830 573.5453   34.03830 ?          ?        238.4679 7.136873 ?        ?        ?         ?        
1 1 1 1  61 6  o 57.89518 17.01463 36.30752   20.99029 36.30752   20.99029 ?          ?        57.89518 17.01463 ?        ?        ?         ?        
1 1 1 1  61 7  o 79.85258 13.14315 66.37468   20.99029 66.37468   20.99029 ?          ?        79.85258 13.14315 ?        ?        ?         ?        
1 1 1 1  61 8  o 27.28104 13.16628 -31.20177  21.55759 -31.20177  21.55759 ?          ?        27.28104 13.16628 ?        ?        ?         ?        
1 1 1 1  61 9  o 131.6234 9.051126 177.5665   23.82681 177.5665   23.82681 ?          ?        131.6234 9.051126 ?        ?        ?         ?        
1 1 1 1  61 10 o 110.6933 9.737528 126.5090   21.55759 126.5090   21.55759 ?          ?        110.6933 9.737528 ?        ?        ?         ?        
1 1 1 1  62 0  o 363.6815 12.66879 1343.945   91.90340 1343.945   91.90340 1343.945   91.90340 363.6815 12.66879 363.6815 12.66879 -0.000000 0.000000 
1 1 1 1  62 1  o 329.1700 8.531034 1096.033   56.16319 1096.033   56.16319 ?          ?        329.1700 8.531034 ?        ?        ?         ?        
1 1 1 1  62 2  o 72.77076 14.93559 56.73050   20.99029 56.73050   20.99029 ?          ?        72.77076 14.93559 ?        ?        ?         ?        
1 1 1 1  62 3  o 241.9255 7.386617 590.5645   35.74022 590.5645   35.74022 ?          ?        241.9255 7.386617 ?        ?        ?         ?        
1 1 1 1  62 4  o 319.5229 8.167184 1032.495   52.19205 1032.495   52.19205 ?          ?        319.5229 8.167184 ?        ?        ?         ?        
1 1 1 1  62 5  o 41.31963 17.02176 7.374964   22.69220 7.374964   22.69220 ?          ?        41.31963 17.02176 ?        ?        ?         ?        
1 1 1 1  62 6  o 117.3245 8.945400 140.1243   20.99029 140.1243   20.99029 ?          ?        117.3245 8.945400 ?        ?        ?         ?        
1 1 1 1  62 7  o 141.3395 8.830307 203.6625   24.96142 203.6625   24.96142 ?          ?        141.3395 8.830307 ?        ?        ?         ?        
1 1 1 1  62 8  o 302.3768 7.973649 930.3802   48.22092 930.3802   48.22092 ?          ?        302.3768 7.973649 ?        ?        ?         ?        
1 1 1 1  62 9  o 99.10435 11.16242 102.1149   22.12490 102.1149   22.12490 ?          ?        99.10435 11.16242 ?        ?        ?         ?        
1 1 1 1  62 10 o 92.03981 11.40283 88.49958   20.99029 88.49958   20.99029 ?          ?        92.03981 11.40283 ?        ?        ?         ?        
1 1 1 1  63 0  o 22.10248 16.07179 -61.83624  35.74022 -61.83624  35.74022 -61.83624  35.74022 22.10248 16.07179 22.10248 16.07179 -0.000000 0.000000 
1 1 1 1  63 1  o 222.5760 7.773886 500.3629   34.60560 500.3629   34.60560 ?          ?        222.5760 7.773886 ?        ?        ?         ?        
1 1 1 1  63 2  o 368.4903 9.006300 1376.282   66.37468 1376.282   66.37468 ?          ?        368.4903 9.006300 ?        ?        ?         ?        
1 1 1 1  63 3  o 72.67780 14.95301 56.73050   20.99029 56.73050   20.99029 ?          ?        72.67780 14.95301 ?        ?        ?         ?        
1 1 1 1  63 4  o 164.4139 8.108600 274.0083   26.66333 274.0083   26.66333 ?          ?        164.4139 8.108600 ?        ?        ?         ?        
1 1 1 1  63 5  o 145.2402 8.593149 214.4413   24.96142 214.4413   24.96142 ?          ?        145.2402 8.593149 ?        ?        ?         ?        
1 1 1 1  63 6  o 160.9751 7.753191 263.2295   24.96142 263.2295   24.96142 ?          ?        160.9751 7.753191 ?        ?        ?         ?        
1 1 1 1  63 7  o 61.67417 17.55317 42.54787   22.69220 42.54787   22.69220 ?          ?        61.67417 17.55317 ?        ?        ?         ?        
1 1 1 1  63 8  o 176.4997 7.553366 317.1235   26.66333 317.1235   26.66333 ?          ?        176.4997 7.553366 ?        ?        ?         ?        
1 1 1 1  63 9  o 249.7179 8.064830 637.6508   40.27865 637.6508   40.27865 ?          ?        249.7179 8.064830 ?        ?        ?         ?        
1 1 1 1  64 0  o 255.5238 11.37127 664.3141   57.86510 664.3141   57.86510 664.3141   57.86510 255.5238 11.37127 255.5238 11.37127 -0.000000 0.000000 
1 1 1 1  64 1  f 203.3425 7.811715 418.1037   31.76908 418.1037   31.76908 ?          ?        203.3425 7.811715 ?        ?        ?         ?        
1 1 1 1  64 2  o 145.4789 8.189095 214.4413   23.82681 214.4413   23.82681 ?          ?        145.4789 8.189095 ?        ?        ?         ?        
1 1 1 1  64 3  o 97.15739 12.26196 97.57646   23.82681 97.57646   23.82681 ?          ?        97.15739 12.26196 ?        ?        ?         ?        
1 1 1 1  64 4  o 210.8453 7.668272 450.4402   32.33638 450.4402   32.33638 ?          ?        210.8453 7.668272 ?        ?        ?         ?        
1 1 1 1  64 5  o 102.5198 10.79055 108.3553   22.12490 108.3553   22.12490 ?          ?        102.5198 10.79055 ?        ?        ?         ?        
1 1 1 1  64 6  o 132.0108 8.379953 177.5665   22.12490 177.5665   22.12490 ?          ?        132.0108 8.379953 ?        ?        ?         ?        
1 1 1 1  64 7  o 169.7432 7.352700 292.7294   24.96142 292.7294   24.96142 ?          ?        169.7432 7.352700 ?        ?        ?         ?        
1 1 1 1  64 8  o 207.4753 7.382677 437.9594   30.63447 437.9594   30.63447 ?          ?        207.4753 7.382677 ?        ?        ?         ?        
1 1 1 1  64 9  o 94.07467 11.45770 92.47070   21.55759 92.47070   21.55759 ?          ?        94.07467 11.45770 ?        ?        ?         ?        
1 1 1 1  65 0  o 45.59790 25.55325 31.76908   34.60560 31.76908   34.60560 31.76908   34.60560 45.59790 25.55325 45.59790 25.55325 -0.000000 0.000000 
1 1 1 1  65 1  o 205.3889 7.457674 427.1806   30.63447 427.1806   30.63447 ?          ?        205.3889 7.457674 ?        ?        ?         ?        
1 1 1 1  65 2  o 42.60660 17.83807 6.240355   25.52872 6.240355   25.52872 ?          ?        42.60660 17.83807 ?        ?        ?         ?        
1 1 1 1  65 3  o 44.88939 18.69213 8.509575   27.79794 8.509575   27.79794 ?          ?        44.88939 18.69213 ?        ?        ?         ?        
1 1 1 1  65 4  o 221.4126 7.558511 497.5265   33.47099 497.5265   33.47099 ?          ?        221.4126 7.558511 ?        ?        ?         ?        
1 1 1 1  65 5  f 87.17558 13.01523 79.42269   22.69220 79.42269   22.69220 ?          ?        87.17558 13.01523 ?        ?        ?         ?        
1 1 1 1  65 6  o 140.4907 8.479854 201.3933   23.82681 201.3933   23.82681 ?          ?        140.4907 8.479854 ?        ?        ?         ?        
1 1 1 1  65 7  o 40.06118 15.99278 10.77879   19.28837 10.77879   19.28837 ?          ?        40.06118 15.99278 ?        ?        ?         ?        
1 1 1 1  65 8  o 278.2578 8.053161 791.9578   44.81709 791.9578   44.81709 ?          ?        278.2578 8.053161 ?        ?        ?         ?        
1 1 1 1  66 0  o 129.4702 14.09525 177.5665   35.74022 177.5665   35.74022 177.5665   35.74022 129.4702 14.09525 129.4702 14.09525 -0.000000 0.000000 
1 1 1 1  66 1  o 103.4912 11.23743 110.6245   23.25950 110.6245   23.25950 ?          ?        103.4912 11.23743 ?        ?        ?         ?        
1 1 1 1  66 2  o 173.3293 8.182473 305.7773   28.36525 305.7773   28.36525 ?          ?        173.3293 8.182473 ?        ?        ?         ?        
1 1 1 1  66 3  o 147.8921 9.973439 224.0854   29.49986 224.0854   29.49986 ?          ?        147.8921 9.973439 ?        ?        ?         ?        
1 1 1 1  66 4  o 71.77775 16.53247 57.29780   23.25950 57.29780   23.25950 ?          ?        71.77775 16.53247 ?        ?        ?         ?        
1 1 1 1  66 5  o 171.7856 7.760642 300.1043   26.66333 300.1043   26.66333 ?          ?        171.7856 7.760642 ?        ?        ?         ?        
1 1 1 1  66 6  o 118.0729 9.609402 143.5282   22.69220 143.5282   22.69220 ?          ?        118.0729 9.609402 ?        ?        ?         ?        
1 1 1 1  66 7  o 103.6587 11.49291 112.3264   23.82681 112.3264   23.82681 ?          ?        103.6587 11.49291 ?        ?        ?         ?        
1 1 1 1  67 0  o 133.9173 14.48947 190.0471   38.00943 190.0471   38.00943 190.0471   38.00943 133.9173 14.48947 133.9173 14.48947 -0.000000 0.000000 
1 1 1 1  67 1  o 37.40578 16.46414 -3.403830  23.82681 -3.403830  23.82681 ?          ?        37.40578 16.46414 ?        ?        ?         ?        
1 1 1 1  67 2  o 296.6820 8.126701 895.7745   48.22092 895.7745   48.22092 ?          ?        296.6820 8.126701 ?        ?        ?         ?        
1 1 1 1  67 3  o 98.50000 12.95874 101.5476   25.52872 101.5476   25.52872 ?          ?        98.50000 12.95874 ?        ?        ?         ?        
1 1 1 1  67 4  o 275.8531 7.814881 774.3713   43.11518 774.3713   43.11518 ?          ?        275.8531 7.814881 ?        ?        ?         ?        
1 1 1 1  67 5  o 23.73973 11.81375 -52.75936  22.12490 -52.75936  22.12490 ?          ?        23.73973 11.81375 ?        ?        ?         ?        
1 1 1 1  67 6  o 101.6309 11.44312 107.7879   23.25950 107.7879   23.25950 ?          ?        101.6309 11.44312 ?        ?        ?         ?        
1 1 1 1  67 7  o 120.9187 10.79073 152.0377   26.09603 152.0377   26.09603 ?          ?        120.9187 10.79073 ?        ?        ?         ?        
1 1 1 1  68 0  o 31.31174 20.92087 -5.105744  34.60560 -5.105744  34.60560 -5.105744  34.60560 31.31174 20.92087 31.31174 20.92087 -0.000000 0.000000 
1 1 1 1  68 1  o 119.1894 10.47132 146.3647   24.96142 146.3647   24.96142 ?          ?        119.1894 10.47132 ?        ?        ?         ?        
1 1 1 1  68 2  o 53.24068 18.38733 29.49986   23.82681 29.49986   23.82681 ?          ?        53.24068 18.38733 ?        ?        ?         ?        
1 1 1 1  68 3  f 78.33251 18.09451 69.77851   27.79794 69.77851   27.79794 ?          ?        78.33251 18.09451 ?        ?        ?         ?        
1 1 1 1  68 4  o 89.78670 12.32081 84.52843   22.12490 84.52843   22.12490 ?          ?        89.78670 12.32081 ?        ?        ?         ?        
1 1 1 1  68 5  o 103.6735 12.31208 112.8937   25.52872 112.8937   25.52872 ?          ?        103.6735 12.31208 ?        ?        ?         ?        
1 1 1 1  68 6  f 147.0503 9.066056 222.3835   26.66333 222.3835   26.66333 ?          ?        147.0503 9.066056 ?        ?        ?         ?        
1 1 1 1  69 0  o 76.96911 24.37702 78.85539   32.90369 78.85539   32.90369 78.85539   32.90369 76.96911 24.37702 76.96911 24.37702 -0.000000 0.000000 
1 1 1 1  69 1  o 28.90164 13.98876 -36.87482  24.96142 -36.87482  24.96142 ?          ?        28.90164 13.98876 ?        ?        ?         ?        
1 1 1 1  69 2  o 126.7969 10.29048 166.2204   26.09603 166.2204   26.09603 ?          ?        126.7969 10.29048 ?        ?        ?         ?        
1 1 1 1  69 3  o 127.6077 9.335958 167.3549   23.82681 167.3549   23.82681 ?          ?        127.6077 9.335958 ?        ?        ?         ?        
1 1 1 1  69 4  o 107.3221 11.36490 120.2687   24.39412 120.2687   24.39412 ?          ?        107.3221 11.36490 ?        ?        ?         ?        
1 1 1 1  69 5  o 57.66302 18.37048 37.44213   23.82681 37.44213   23.82681 ?          ?        57.66302 18.37048 ?        ?        ?         ?        
1 1 1 1  70 0  o 99.75150 19.41882 114.5956   34.60560 114.5956   34.60560 114.5956   34.60560 99.75150 19.41882 99.75150 19.41882 -0.000000 0.000000 
1 1 1 1  70 1  o 56.83854 18.62020 35.74022   24.39412 35.74022   24.39412 ?          ?        56.83854 18.62020 ?        ?        ?         ?        
1 1 1 1  70 2  o 145.4557 9.360456 217.8451   27.23064 217.8451   27.23064 ?          ?        145.4557 9.360456 ?        ?        ?         ?        
1 1 1 1  70 3  o 118.4766 11.01315 146.3647   26.09603 146.3647   26.09603 ?          ?        118.4766 11.01315 ?        ?        ?         ?        
1 1 1 1  70 4  o 275.2411 8.450593 776.0732   46.51900 776.0732   46.51900 ?          ?        275.2411 8.450593 ?        ?        ?         ?        
1 1 1 1  71 0  o 63.32440 27.49375 62.97085   35.74022 62.97085   35.74022 62.97085   35.74022 63.32440 27.49375 63.32440 27.49375 -0.000000 0.000000 
1 1 1 1  71 1  o 53.14488 18.58072 30.06716   24.39412 30.06716   24.39412 ?          ?        53.14488 18.58072 ?        ?        ?         ?        
1 1 1 1  71 2  o 57.78966 18.83546 37.44213   24.96142 37.44213   24.96142 ?          ?        57.78966 18.83546 ?        ?        ?         ?        
1 1 1 2  0  1  f 40.80092 3.526428 17.01915   2.836525 17.01915   2.836525 17.01915   2.836525 40.80092 3.526428 40.80092 3.526428 -0.000000 0.000000 
1 1 1 2  0  3  o 8.705702 5.648487 0.000000   2.269220 0.000000   2.269220 0.000000   2.269220 8.705702 5.648487 8.705702 5.648487 -0.000000 0.000000 
1 1 1 2  0  4  o 24.92332 6.602748 7.374964   2.836525 7.374964   2.836525 7.374964   2.836525 24.92332 6.602748 24.92332 6.602748 -0.000000 0.000000 
1 1 1 2  0  5  o 98.36401 2.889200 97.00916   5.673049 97.00916   5.673049 97.00916   5.673049 98.36401 2.889200 98.36401 2.889200 -0.000000 0.000000 
1 1 1 2  0  6  o 335.1385 7.286480 1125.533   48.78823 1125.533   48.78823 1125.533   48.78823 335.1385 7.286480 335.1385 7.286480 -0.000000 0.000000 
1 1 1 2  0  7  o 63.31496 4.988819 40.84595   6.240355 40.84595   6.240355 40.84595   6.240355 63.31496 4.988819 63.31496 4.988819 -0.000000 0.000000 
1 1 1 2  0  8  o 143.4806 4.358124 206.4990   12.48071 206.4990   12.48071 206.4990   12.48071 143.4806 4.358124 143.4806 4.358124 -0.000000 0.000000 
1 1 1 2  0  9  o 26.31132 12.45483 10.21149   7.374964 10.21149   7.374964 10.21149   7.374964 26.31132 12.45483 26.31132 12.45483 -0.000000 0.000000 
1 1 1 2  0  10 o 430.9635 12.33029 1864.731   106.0860 1864.731   106.0860 1864.731   106.0860 430.9635 12.33029 430.9635 12.33029 -0.000000 0.000000 
1 1 1 2  0  11 o 63.53735 9.271409 41.98057   11.34610 41.98057   11.34610 41.98057   11.34610 63.53735 9.271409 63.53735 9.271409 -0.000000 0.000000 
1 1 1 2  0  12 o 198.2661 8.184982 395.4115   32.33638 395.4115   32.33638 395.4115   32.33638 198.2661 8.184982 198.2661 8.184982 -0.000000 0.000000 
1 1 1 2  0  13 o 170.0497 7.369280 291.0274   24.96142 291.0274   24.96142 291.0274   24.96142 170.0497 7.369280 170.0497 7.369280 -0.000000 0.000000 
1 1 1 2  0  14 o 24.32410 15.85988 -0.5673050 18.15376 -0.5673050 18.15376 -0.5673050 18.15376 24.32410 15.85988 24.32410 15.85988 -0.000000 0.000000 
1 1 1 2  0  15 o 438.6570 13.93363 1938.481   121.9706 1938.481   121.9706 1938.481   121.9706 438.6570 13.93363 438.6570 13.93363 -0.000000 0.000000 
1 1 1 2  0  16 o 198.9486 8.300640 398.8154   32.90369 398.8154   32.90369 398.8154   32.90369 198.9486 8.300640 198.9486 8.300640 -0.000000 0.000000 
1 1 1 2  0  17 o 55.95533 21.17146 43.11518   22.12490 43.11518   22.12490 43.11518   22.12490 55.95533 21.17146 55.95533 21.17146 -0.000000 0.000000 
1 1 1 2  0  18 o 147.2647 8.928235 220.6816   26.09603 220.6816   26.09603 220.6816   26.09603 147.2647 8.928235 147.2647 8.928235 -0.000000 0.000000 
1 1 1 2  0  19 f 35.61526 19.92455 18.72106   20.99029 18.72106   20.99029 18.72106   20.99029 35.61526 19.92455 35.61526 19.92455 -0.000000 0.000000 
1 1 1 2  0  20 o 19.30484 13.77898 -24.39412  21.55759 -24.39412  21.55759 -24.39412  21.55759 19.30484 13.77898 19.30484 13.77898 -0.000000 0.000000 
1 1 1 2  1  1  o 225.7765 5.653538 510.0071   25.52872 510.0071   25.52872 ?          ?        225.7765 5.653538 ?        ?        ?         ?        
1 1 1 2  1  2  o 789.0871 11.43112 6239.787   180.4030 6239.787   180.4030 ?          ?        789.0871 11.43112 ?        ?        ?         ?        
1 1 1 2  1  3  o 31.05319 2.740322 9.644185   1.701915 9.644185   1.701915 ?          ?        31.05319 2.740322 ?        ?        ?         ?        
1 1 1 2  1  4  o 476.3473 7.026595 2270.354   66.94199 2270.354   66.94199 ?          ?        476.3473 7.026595 ?        ?        ?         ?        
1 1 1 2  1  5  o 161.1845 2.815681 259.8257   9.076880 259.8257   9.076880 ?          ?        161.1845 2.815681 ?        ?        ?         ?        
1 1 1 2  1  6  o 443.1123 6.657422 1965.712   58.99971 1965.712   58.99971 ?          ?        443.1123 6.657422 ?        ?        ?         ?        
1 1 1 2  1  7  o 111.4486 2.799655 124.2398   6.240355 124.2398   6.240355 ?          ?        111.4486 2.799655 ?        ?        ?         ?        
1 1 1 2  1  8  o 294.2194 4.724016 866.2746   27.79794 866.2746   27.79794 ?          ?        294.2194 4.724016 ?        ?        ?         ?        
1 1 1 2  1  9  o 82.48695 3.782631 68.07660   6.240355 68.07660   6.240355 ?          ?        82.48695 3.782631 ?        ?        ?         ?        
1 1 1 2  1  10 o 429.0739 9.321238 1844.308   79.99000 1844.308   79.99000 ?          ?        429.0739 9.321238 ?        ?        ?         ?        
1 1 1 2  1  11 o 174.0171 4.401071 302.9409   15.31723 302.9409   15.31723 ?          ?        174.0171 4.401071 ?        ?        ?         ?        
1 1 1 2  1  12 o 369.6909 8.209782 1368.907   60.70163 1368.907   60.70163 ?          ?        369.6909 8.209782 ?        ?        ?         ?        
1 1 1 2  1  13 o 71.38733 7.946858 51.05745   11.34610 51.05745   11.34610 ?          ?        71.38733 7.946858 ?        ?        ?         ?        
1 1 1 2  1  14 o 132.9668 5.546469 176.9992   14.74993 176.9992   14.74993 ?          ?        132.9668 5.546469 ?        ?        ?         ?        
1 1 1 2  1  15 o 156.2549 5.627491 244.5084   17.58645 244.5084   17.58645 ?          ?        156.2549 5.627491 ?        ?        ?         ?        
1 1 1 2  1  16 o 384.0688 8.714843 1482.935   66.94199 1482.935   66.94199 ?          ?        384.0688 8.714843 ?        ?        ?         ?        
1 1 1 2  1  17 o 125.0497 6.351289 157.1435   15.88454 157.1435   15.88454 ?          ?        125.0497 6.351289 ?        ?        ?         ?        
1 1 1 2  1  18 o 201.0615 6.066331 406.7577   24.39412 406.7577   24.39412 ?          ?        201.0615 6.066331 ?        ?        ?         ?        
1 1 1 2  1  19 o 107.0620 7.683324 116.2975   16.45185 116.2975   16.45185 ?          ?        107.0620 7.683324 ?        ?        ?         ?        
1 1 1 2  1  20 o 114.4709 7.929425 133.8840   18.15376 133.8840   18.15376 ?          ?        114.4709 7.929425 ?        ?        ?         ?        
1 1 1 2  2  0  o 1051.380 43.68030 11275.75   915.0629 11275.75   915.0629 11275.75   915.0629 1051.380 43.68030 1051.380 43.68030 -0.000000 0.000000 
1 1 1 2  2  1  o 249.5412 4.433115 622.9009   22.12490 622.9009   22.12490 ?          ?        249.5412 4.433115 ?        ?        ?         ?        
1 1 1 2  2  2  o 914.1617 15.29715 8388.738   279.6813 8388.738   279.6813 ?          ?        914.1617 15.29715 ?        ?        ?         ?        
1 1 1 2  2  3  o 71.45222 1.984910 51.05745   2.836525 51.05745   2.836525 ?          ?        71.45222 1.984910 ?        ?        ?         ?        
1 1 1 2  2  4  o 152.8763 2.597612 233.7296   7.942269 233.7296   7.942269 ?          ?        152.8763 2.597612 ?        ?        ?         ?        
1 1 1 2  2  5  o 336.3729 5.059608 1131.773   34.03830 1131.773   34.03830 ?          ?        336.3729 5.059608 ?        ?        ?         ?        
1 1 1 2  2  6  f 799.3356 11.71039 6411.680   187.2106 6411.680   187.2106 ?          ?        799.3356 11.71039 ?        ?        ?         ?        
1 1 1 2  2  7  o 98.77000 2.584664 97.57646   5.105744 97.57646   5.105744 ?          ?        98.77000 2.584664 ?        ?        ?         ?        
1 1 1 2  2  8  o 154.1511 3.128159 237.7008   9.644185 237.7008   9.644185 ?          ?        154.1511 3.128159 ?        ?        ?         ?        
1 1 1 2  2  9  o 252.8881 4.150114 639.9200   20.99029 639.9200   20.99029 ?          ?        252.8881 4.150114 ?        ?        ?         ?        
1 1 1 2  2  10 o 493.0849 11.39017 2437.709   112.3264 2437.709   112.3264 ?          ?        493.0849 11.39017 ?        ?        ?         ?        
1 1 1 2  2  11 o 203.5971 4.597576 414.6999   18.72106 414.6999   18.72106 ?          ?        203.5971 4.597576 ?        ?        ?         ?        
1 1 1 2  2  12 o 686.1046 14.92463 4732.458   204.7971 4732.458   204.7971 ?          ?        686.1046 14.92463 ?        ?        ?         ?        
1 1 1 2  2  13 f 127.7721 5.105973 163.3838   13.04801 163.3838   13.04801 ?          ?        127.7721 5.105973 ?        ?        ?         ?        
1 1 1 2  2  14 o 299.1158 7.112274 896.3418   42.54787 896.3418   42.54787 ?          ?        299.1158 7.112274 ?        ?        ?         ?        
1 1 1 2  2  15 o 315.0505 7.382785 995.0529   46.51900 995.0529   46.51900 ?          ?        315.0505 7.382785 ?        ?        ?         ?        
1 1 1 2  2  16 o 76.96819 8.844771 59.56702   13.61532 59.56702   13.61532 ?          ?        76.96819 8.844771 ?        ?        ?         ?        
1 1 1 2  2  17 o 135.4801 6.071682 184.3741   16.45185 184.3741   16.45185 ?          ?        135.4801 6.071682 ?        ?        ?         ?        
1 1 1 2  2  18 o 126.6740 6.717699 161.6819   17.01915 161.6819   17.01915 ?          ?        126.6740 6.717699 ?        ?        ?         ?        
1 1 1 2  2  19 o 34.59756 13.74443 7.374964   14.18262 7.374964   14.18262 ?          ?        34.59756 13.74443 ?        ?        ?         ?        
1 1 1 2  2  20 o 57.06829 14.79240 36.30752   17.01915 36.30752   17.01915 ?          ?        57.06829 14.79240 ?        ?        ?         ?        
1 1 1 2  3  0  o 499.2903 12.05958 2500.113   120.2687 2500.113   120.2687 2500.113   120.2687 499.2903 12.05958 499.2903 12.05958 -0.000000 0.000000 
1 1 1 2  3  1  o 240.8746 4.003819 580.3530   19.28837 580.3530   19.28837 ?          ?        240.8746 4.003819 ?        ?        ?         ?        
1 1 1 2  3  2  o 479.7573 7.567894 2303.825   72.61504 2303.825   72.61504 ?          ?        479.7573 7.567894 ?        ?        ?         ?        
1 1 1 2  3  3  o 133.6683 3.183094 178.7011   8.509575 178.7011   8.509575 ?          ?        133.6683 3.183094 ?        ?        ?         ?        
1 1 1 2  3  4  o 1253.275 25.77888 15822.70   646.1603 15822.70   646.1603 ?          ?        1253.275 25.77888 ?        ?        ?         ?        
1 1 1 2  3  5  o 294.6734 4.812998 868.5439   28.36525 868.5439   28.36525 ?          ?        294.6734 4.812998 ?        ?        ?         ?        
1 1 1 2  3  6  o 196.0907 3.471689 384.6328   13.61532 384.6328   13.61532 ?          ?        196.0907 3.471689 ?        ?        ?         ?        
1 1 1 2  3  7  o 37.64267 5.274778 14.18262   3.971134 14.18262   3.971134 ?          ?        37.64267 5.274778 ?        ?        ?         ?        
1 1 1 2  3  8  o 511.1353 7.658256 2617.545   78.28809 2617.545   78.28809 ?          ?        511.1353 7.658256 ?        ?        ?         ?        
1 1 1 2  3  9  o 95.23943 4.467464 90.76879   8.509575 90.76879   8.509575 ?          ?        95.23943 4.467464 ?        ?        ?         ?        
1 1 1 2  3  10 o 397.0413 8.715870 1578.810   69.21120 1578.810   69.21120 ?          ?        397.0413 8.715870 ?        ?        ?         ?        
1 1 1 2  3  11 o 314.7617 6.578512 991.6491   41.41326 991.6491   41.41326 ?          ?        314.7617 6.578512 ?        ?        ?         ?        
1 1 1 2  3  12 o 416.3606 9.197097 1737.088   76.58617 1737.088   76.58617 ?          ?        416.3606 9.197097 ?        ?        ?         ?        
1 1 1 2  3  13 o 145.6057 5.065025 212.1721   14.74993 212.1721   14.74993 ?          ?        145.6057 5.065025 ?        ?        ?         ?        
1 1 1 2  3  14 o 665.3792 14.57953 4461.286   194.0183 4461.286   194.0183 ?          ?        665.3792 14.57953 ?        ?        ?         ?        
1 1 1 2  3  15 o 238.4373 6.305047 569.5742   30.06716 569.5742   30.06716 ?          ?        238.4373 6.305047 ?        ?        ?         ?        
1 1 1 2  3  16 o 207.8093 5.732854 432.8537   23.82681 432.8537   23.82681 ?          ?        207.8093 5.732854 ?        ?        ?         ?        
1 1 1 2  3  17 o 192.5246 5.745993 372.1520   22.12490 372.1520   22.12490 ?          ?        192.5246 5.745993 ?        ?        ?         ?        
1 1 1 2  3  18 o 210.6462 6.059621 446.4690   25.52872 446.4690   25.52872 ?          ?        210.6462 6.059621 ?        ?        ?         ?        
1 1 1 2  3  19 o 109.1870 8.572932 121.4033   18.72106 121.4033   18.72106 ?          ?        109.1870 8.572932 ?        ?        ?         ?        
1 1 1 2  3  20 o 101.2083 8.407984 104.9514   17.01915 104.9514   17.01915 ?          ?        101.2083 8.407984 ?        ?        ?         ?        
1 1 1 2  4  0  o 42.34929 2.701758 18.15376   2.269220 18.15376   2.269220 18.15376   2.269220 42.34929 2.701758 42.34929 2.701758 -0.000000 0.000000 
1 1 1 2  4  1  o 274.4406 4.134264 753.3810   22.69220 753.3810   22.69220 ?          ?        274.4406 4.134264 ?        ?        ?         ?        
1 1 1 2  4  2  o 484.7414 7.724145 2352.046   74.88425 2352.046   74.88425 ?          ?        484.7414 7.724145 ?        ?        ?         ?        
1 1 1 2  4  3  o 207.4847 3.554461 430.5845   14.74993 430.5845   14.74993 ?          ?        207.4847 3.554461 ?        ?        ?         ?        
1 1 1 2  4  4  o 790.6849 14.74433 6266.450   233.1623 6266.450   233.1623 ?          ?        790.6849 14.74433 ?        ?        ?         ?        
1 1 1 2  4  5  o 217.7588 3.777539 474.2669   16.45185 474.2669   16.45185 ?          ?        217.7588 3.777539 ?        ?        ?         ?        
1 1 1 2  4  6  o 739.4543 11.62299 5486.406   171.8934 5486.406   171.8934 ?          ?        739.4543 11.62299 ?        ?        ?         ?        
1 1 1 2  4  7  o 60.24499 3.295821 36.30752   3.971134 36.30752   3.971134 ?          ?        60.24499 3.295821 ?        ?        ?         ?        
1 1 1 2  4  8  o 533.4699 8.028855 2851.842   85.66305 2851.842   85.66305 ?          ?        533.4699 8.028855 ?        ?        ?         ?        
1 1 1 2  4  9  o 153.0286 3.892540 234.2970   11.91340 234.2970   11.91340 ?          ?        153.0286 3.892540 ?        ?        ?         ?        
1 1 1 2  4  10 o 338.9451 6.946008 1149.927   47.08631 1149.927   47.08631 ?          ?        338.9451 6.946008 ?        ?        ?         ?        
1 1 1 2  4  11 o 350.1847 7.209073 1227.648   50.49014 1227.648   50.49014 ?          ?        350.1847 7.209073 ?        ?        ?         ?        
1 1 1 2  4  12 f 162.8977 4.701489 265.4987   15.31723 265.4987   15.31723 ?          ?        162.8977 4.701489 ?        ?        ?         ?        
1 1 1 2  4  13 o 78.92911 7.546901 62.40355   11.91340 62.40355   11.91340 ?          ?        78.92911 7.546901 ?        ?        ?         ?        
1 1 1 2  4  14 o 416.9483 9.320194 1743.895   77.72078 1743.895   77.72078 ?          ?        416.9483 9.320194 ?        ?        ?         ?        
1 1 1 2  4  15 o 224.5047 6.064604 504.9014   27.23064 504.9014   27.23064 ?          ?        224.5047 6.064604 ?        ?        ?         ?        
1 1 1 2  4  16 o 153.6378 5.538726 236.5662   17.01915 236.5662   17.01915 ?          ?        153.6378 5.538726 ?        ?        ?         ?        
1 1 1 2  4  17 o 80.74107 8.782782 65.80738   14.18262 65.80738   14.18262 ?          ?        80.74107 8.782782 ?        ?        ?         ?        
1 1 1 2  4  18 o 68.77384 10.72350 48.22092   14.74993 48.22092   14.74993 ?          ?        68.77384 10.72350 ?        ?        ?         ?        
1 1 1 2  4  19 o 107.8410 7.627821 117.9994   16.45185 117.9994   16.45185 ?          ?        107.8410 7.627821 ?        ?        ?         ?        
1 1 1 2  4  20 o 81.75882 10.06120 69.21120   16.45185 69.21120   16.45185 ?          ?        81.75882 10.06120 ?        ?        ?         ?        
1 1 1 2  5  0  o 513.4283 10.72830 2641.939   110.0572 2641.939   110.0572 2641.939   110.0572 513.4283 10.72830 513.4283 10.72830 -0.000000 0.000000 
1 1 1 2  5  1  o 345.1637 5.259464 1191.908   36.30752 1191.908   36.30752 ?          ?        345.1637 5.259464 ?        ?        ?         ?        
1 1 1 2  5  2  o 993.3679 15.47661 9906.846   307.4793 9906.846   307.4793 ?          ?        993.3679 15.47661 ?        ?        ?         ?        
1 1 1 2  5  3  o 222.1362 3.830791 493.5553   17.01915 493.5553   17.01915 ?          ?        222.1362 3.830791 ?        ?        ?         ?        
1 1 1 2  5  4  o 508.9816 9.696919 2593.151   98.71106 2593.151   98.71106 ?          ?        508.9816 9.696919 ?        ?        ?         ?        
1 1 1 2  5  5  o 81.11673 3.147159 65.80738   5.105744 65.80738   5.105744 ?          ?        81.11673 3.147159 ?        ?        ?         ?        
1 1 1 2  5  6  o 1405.189 23.67826 20020.76   665.4487 20020.76   665.4487 ?          ?        1405.189 23.67826 ?        ?        ?         ?        
1 1 1 2  5  7  o 170.8966 3.319581 292.1620   11.34610 292.1620   11.34610 ?          ?        170.8966 3.319581 ?        ?        ?         ?        
1 1 1 2  5  8  o 575.3965 8.577655 3318.734   98.71106 3318.734   98.71106 ?          ?        575.3965 8.577655 ?        ?        ?         ?        
1 1 1 2  5  9  o 193.6079 3.516211 374.9886   13.61532 374.9886   13.61532 ?          ?        193.6079 3.516211 ?        ?        ?         ?        
1 1 1 2  5  10 o 849.9430 16.88680 7263.772   287.0563 7263.772   287.0563 ?          ?        849.9430 16.88680 ?        ?        ?         ?        
1 1 1 2  5  11 o 263.6374 5.594778 695.5159   29.49986 695.5159   29.49986 ?          ?        263.6374 5.594778 ?        ?        ?         ?        
1 1 1 2  5  12 o 559.8464 12.21054 3145.706   136.7205 3145.706   136.7205 ?          ?        559.8464 12.21054 ?        ?        ?         ?        
1 1 1 2  5  13 o 327.6086 7.446115 1075.043   48.78823 1075.043   48.78823 ?          ?        327.6086 7.446115 ?        ?        ?         ?        
1 1 1 2  5  14 o 63.79125 10.22712 40.84595   13.04801 40.84595   13.04801 ?          ?        63.79125 10.22712 ?        ?        ?         ?        
1 1 1 2  5  15 o 196.7765 6.630880 388.0366   26.09603 388.0366   26.09603 ?          ?        196.7765 6.630880 ?        ?        ?         ?        
1 1 1 2  5  16 o 377.6504 9.313615 1435.282   70.34581 1435.282   70.34581 ?          ?        377.6504 9.313615 ?        ?        ?         ?        
1 1 1 2  5  17 o 75.17985 10.56436 57.29780   15.88454 57.29780   15.88454 ?          ?        75.17985 10.56436 ?        ?        ?         ?        
1 1 1 2  5  18 o 311.3846 8.653922 982.0049   53.89397 982.0049   53.89397 ?          ?        311.3846 8.653922 ?        ?        ?         ?        
1 1 1 2  5  19 o 120.6346 7.289142 147.4993   17.58645 147.4993   17.58645 ?          ?        120.6346 7.289142 ?        ?        ?         ?        
1 1 1 2  5  20 o 44.04340 16.74902 17.01915   20.42298 17.01915   20.42298 ?          ?        44.04340 16.74902 ?        ?        ?         ?        
1 1 1 2  6  0  o 1249.635 52.79677 16045.09   1314.446 16045.09   1314.446 16045.09   1314.446 1249.635 52.79677 1249.635 52.79677 -0.000000 0.000000 
1 1 1 2  6  1  o 104.3629 1.902560 108.9226   3.971134 108.9226   3.971134 ?          ?        104.3629 1.902560 ?        ?        ?         ?        
1 1 1 2  6  2  o 772.9614 11.30263 5987.336   174.7299 5987.336   174.7299 ?          ?        772.9614 11.30263 ?        ?        ?         ?        
1 1 1 2  6  3  o 156.3580 2.902595 244.5084   9.076880 244.5084   9.076880 ?          ?        156.3580 2.902595 ?        ?        ?         ?        
1 1 1 2  6  4  o 251.2506 4.741642 631.4105   23.82681 631.4105   23.82681 ?          ?        251.2506 4.741642 ?        ?        ?         ?        
1 1 1 2  6  5  o 103.5408 3.013475 107.2206   6.240355 107.2206   6.240355 ?          ?        103.5408 3.013475 ?        ?        ?         ?        
1 1 1 2  6  6  o 305.2747 5.575028 932.6494   34.03830 932.6494   34.03830 ?          ?        305.2747 5.575028 ?        ?        ?         ?        
1 1 1 2  6  7  o 161.1583 3.520172 259.8257   11.34610 259.8257   11.34610 ?          ?        161.1583 3.520172 ?        ?        ?         ?        
1 1 1 2  6  8  o 23.02771 7.512753 5.105744   3.971134 5.105744   3.971134 ?          ?        23.02771 7.512753 ?        ?        ?         ?        
1 1 1 2  6  9  o 332.8068 5.199054 1108.514   34.60560 1108.514   34.60560 ?          ?        332.8068 5.199054 ?        ?        ?         ?        
1 1 1 2  6  10 o 245.3886 5.317286 602.4778   26.09603 602.4778   26.09603 ?          ?        245.3886 5.317286 ?        ?        ?         ?        
1 1 1 2  6  11 o 233.9069 5.214492 547.4493   24.39412 547.4493   24.39412 ?          ?        233.9069 5.214492 ?        ?        ?         ?        
1 1 1 2  6  12 o 311.4202 7.651015 971.2261   47.65361 971.2261   47.65361 ?          ?        311.4202 7.651015 ?        ?        ?         ?        
1 1 1 2  6  13 o 422.9656 10.05942 1794.386   85.09574 1794.386   85.09574 ?          ?        422.9656 10.05942 ?        ?        ?         ?        
1 1 1 2  6  14 o 190.4304 5.809183 363.0752   22.12490 363.0752   22.12490 ?          ?        190.4304 5.809183 ?        ?        ?         ?        
1 1 1 2  6  15 o 141.9851 5.993286 201.9606   17.01915 201.9606   17.01915 ?          ?        141.9851 5.993286 ?        ?        ?         ?        
1 1 1 2  6  16 o 212.3973 6.810952 452.7094   28.93255 452.7094   28.93255 ?          ?        212.3973 6.810952 ?        ?        ?         ?        
1 1 1 2  6  17 o 201.6230 7.034230 409.0269   28.36525 409.0269   28.36525 ?          ?        201.6230 7.034230 ?        ?        ?         ?        
1 1 1 2  6  18 o 96.60168 9.396193 94.73994   18.15376 94.73994   18.15376 ?          ?        96.60168 9.396193 ?        ?        ?         ?        
1 1 1 2  6  19 o 108.9469 8.331470 120.8360   18.15376 120.8360   18.15376 ?          ?        108.9469 8.331470 ?        ?        ?         ?        
1 1 1 2  6  20 o 41.84558 16.69025 12.48071   20.99029 12.48071   20.99029 ?          ?        41.84558 16.69025 ?        ?        ?         ?        
1 1 1 2  7  0  o 1390.469 58.42345 19966.87   1618.521 19966.87   1618.521 19966.87   1618.521 1390.469 58.42345 1390.469 58.42345 -0.000000 0.000000 
1 1 1 2  7  1  o 245.4250 3.814009 602.4778   18.72106 602.4778   18.72106 ?          ?        245.4250 3.814009 ?        ?        ?         ?        
1 1 1 2  7  2  o 242.9856 3.852299 590.5645   18.72106 590.5645   18.72106 ?          ?        242.9856 3.852299 ?        ?        ?         ?        
1 1 1 2  7  3  o 231.1496 3.681414 534.4012   17.01915 534.4012   17.01915 ?          ?        231.1496 3.681414 ?        ?        ?         ?        
1 1 1 2  7  4  o 1014.274 17.08726 10316.44   346.6233 10316.44   346.6233 ?          ?        1014.274 17.08726 ?        ?        ?         ?        
1 1 1 2  7  5  f 292.7095 5.426724 857.1978   31.76908 857.1978   31.76908 ?          ?        292.7095 5.426724 ?        ?        ?         ?        
1 1 1 2  7  6  o 593.1377 10.23399 3527.502   121.4033 3527.502   121.4033 ?          ?        593.1377 10.23399 ?        ?        ?         ?        
1 1 1 2  7  7  o 62.99154 4.953327 39.71135   6.240355 39.71135   6.240355 ?          ?        62.99154 4.953327 ?        ?        ?         ?        
1 1 1 2  7  8  o 440.6028 7.274746 1944.721   64.10546 1944.721   64.10546 ?          ?        440.6028 7.274746 ?        ?        ?         ?        
1 1 1 2  7  9  o 549.6749 9.546680 3029.408   104.9514 3029.408   104.9514 ?          ?        549.6749 9.546680 ?        ?        ?         ?        
1 1 1 2  7  10 o 243.0322 6.652695 591.1317   32.33638 591.1317   32.33638 ?          ?        243.0322 6.652695 ?        ?        ?         ?        
1 1 1 2  7  11 o 246.2870 5.758575 607.0163   28.36525 607.0163   28.36525 ?          ?        246.2870 5.758575 ?        ?        ?         ?        
1 1 1 2  7  12 o 323.2790 7.809067 1046.678   50.49014 1046.678   50.49014 ?          ?        323.2790 7.809067 ?        ?        ?         ?        
1 1 1 2  7  13 o 202.1443 5.753193 409.0269   23.25950 409.0269   23.25950 ?          ?        202.1443 5.753193 ?        ?        ?         ?        
1 1 1 2  7  14 o 165.9329 6.153986 275.7102   20.42298 275.7102   20.42298 ?          ?        165.9329 6.153986 ?        ?        ?         ?        
1 1 1 2  7  15 o 130.2937 6.966475 170.1915   18.15376 170.1915   18.15376 ?          ?        130.2937 6.966475 ?        ?        ?         ?        
1 1 1 2  7  16 o 133.4209 7.015790 178.7011   18.72106 178.7011   18.72106 ?          ?        133.4209 7.015790 ?        ?        ?         ?        
1 1 1 2  7  17 o 204.7964 7.063737 422.0749   28.93255 422.0749   28.93255 ?          ?        204.7964 7.063737 ?        ?        ?         ?        
1 1 1 2  7  18 o 384.3981 11.51145 1511.868   88.49958 1511.868   88.49958 ?          ?        384.3981 11.51145 ?        ?        ?         ?        
1 1 1 2  7  19 o 123.0353 8.530191 154.3070   20.99029 154.3070   20.99029 ?          ?        123.0353 8.530191 ?        ?        ?         ?        
1 1 1 2  7  20 o 97.40028 9.901599 98.14376   19.28837 98.14376   19.28837 ?          ?        97.40028 9.901599 ?        ?        ?         ?        
1 1 1 2  8  0  o 459.3358 9.704828 2114.346   89.06688 2114.346   89.06688 2114.346   89.06688 459.3358 9.704828 459.3358 9.704828 -0.000000 0.000000 
1 1 1 2  8  1  o 280.4650 4.348870 786.8520   24.39412 786.8520   24.39412 ?          ?        280.4650 4.348870 ?        ?        ?         ?        
1 1 1 2  8  2  o 348.9178 5.365466 1218.004   37.44213 1218.004   37.44213 ?          ?        348.9178 5.365466 ?        ?        ?         ?        
1 1 1 2  8  3  o 538.7219 8.003236 2904.601   86.23035 2904.601   86.23035 ?          ?        538.7219 8.003236 ?        ?        ?         ?        
1 1 1 2  8  4  o 431.9223 7.026916 1866.433   60.70163 1866.433   60.70163 ?          ?        431.9223 7.026916 ?        ?        ?         ?        
1 1 1 2  8  5  o 345.6026 6.237681 1195.312   43.11518 1195.312   43.11518 ?          ?        345.6026 6.237681 ?        ?        ?         ?        
1 1 1 2  8  6  o 863.6317 16.06079 7509.416   277.4121 7509.416   277.4121 ?          ?        863.6317 16.06079 ?        ?        ?         ?        
1 1 1 2  8  7  o 53.75917 5.803990 28.93255   6.240355 28.93255   6.240355 ?          ?        53.75917 5.803990 ?        ?        ?         ?        
1 1 1 2  8  8  o 481.1319 7.841048 2319.710   75.45156 2319.710   75.45156 ?          ?        481.1319 7.841048 ?        ?        ?         ?        
1 1 1 2  8  9  o 555.3740 8.886900 3091.245   98.71106 3091.245   98.71106 ?          ?        555.3740 8.886900 ?        ?        ?         ?        
1 1 1 2  8  10 o 404.7117 10.51313 1641.213   85.09574 1641.213   85.09574 ?          ?        404.7117 10.51313 ?        ?        ?         ?        
1 1 1 2  8  11 o 222.0906 5.364210 493.5553   23.82681 493.5553   23.82681 ?          ?        222.0906 5.364210 ?        ?        ?         ?        
1 1 1 2  8  12 o 945.2537 29.28789 9126.802   553.6896 9126.802   553.6896 ?          ?        945.2537 29.28789 ?        ?        ?         ?        
1 1 1 2  8  13 o 156.0966 6.178343 243.9411   19.28837 243.9411   19.28837 ?          ?        156.0966 6.178343 ?        ?        ?         ?        
1 1 1 2  8  14 o 280.2971 7.893372 787.4193   44.24979 787.4193   44.24979 ?          ?        280.2971 7.893372 ?        ?        ?         ?        
1 1 1 2  8  15 o 55.98231 13.34387 32.90369   14.74993 32.90369   14.74993 ?          ?        55.98231 13.34387 ?        ?        ?         ?        
1 1 1 2  8  16 o 431.0617 11.31815 1877.780   97.57646 1877.780   97.57646 ?          ?        431.0617 11.31815 ?        ?        ?         ?        
1 1 1 2  8  17 o 158.0506 6.819838 251.3161   21.55759 251.3161   21.55759 ?          ?        158.0506 6.819838 ?        ?        ?         ?        
1 1 1 2  8  18 o 207.9822 7.910219 437.3921   32.90369 437.3921   32.90369 ?          ?        207.9822 7.910219 ?        ?        ?         ?        
1 1 1 2  8  19 o 70.18301 12.58067 52.75936   17.01915 52.75936   17.01915 ?          ?        70.18301 12.58067 ?        ?        ?         ?        
1 1 1 2  8  20 o 75.13792 11.32527 58.99971   17.01915 58.99971   17.01915 ?          ?        75.13792 11.32527 ?        ?        ?         ?        
1 1 1 2  9  0  o 512.1874 10.86549 2629.458   111.1918 2629.458   111.1918 2629.458   111.1918 512.1874 10.86549 512.1874 10.86549 -0.000000 0.000000 
1 1 1 2  9  1  o 436.9583 6.556438 1910.683   57.29780 1910.683   57.29780 ?          ?        436.9583 6.556438 ?        ?        ?         ?        
1 1 1 2  9  2  o 684.0867 10.03439 4687.074   137.2878 4687.074   137.2878 ?          ?        684.0867 10.03439 ?        ?        ?         ?        
1 1 1 2  9  3  o 836.0508 13.06215 7003.947   218.4124 7003.947   218.4124 ?          ?        836.0508 13.06215 ?        ?        ?         ?        
1 1 1 2  9  4  o 850.3291 12.44252 7241.081   211.6048 7241.081   211.6048 ?          ?        850.3291 12.44252 ?        ?        ?         ?        
1 1 1 2  9  5  o 157.7932 3.235718 249.0469   10.21149 249.0469   10.21149 ?          ?        157.7932 3.235718 ?        ?        ?         ?        
1 1 1 2  9  6  o 530.9235 8.601624 2824.611   91.33610 2824.611   91.33610 ?          ?        530.9235 8.601624 ?        ?        ?         ?        
1 1 1 2  9  7  o 135.3439 3.143685 183.2395   8.509575 183.2395   8.509575 ?          ?        135.3439 3.143685 ?        ?        ?         ?        
1 1 1 2  9  8  o 466.9277 7.654336 2184.691   71.48043 2184.691   71.48043 ?          ?        466.9277 7.654336 ?        ?        ?         ?        
1 1 1 2  9  9  o 187.1594 5.607594 350.5945   20.99029 350.5945   20.99029 ?          ?        187.1594 5.607594 ?        ?        ?         ?        
1 1 1 2  9  10 f 701.4155 16.21644 4942.928   227.4893 4942.928   227.4893 ?          ?        701.4155 16.21644 ?        ?        ?         ?        
1 1 1 2  9  11 o 97.88966 4.926049 95.87454   9.644185 95.87454   9.644185 ?          ?        97.88966 4.926049 ?        ?        ?         ?        
1 1 1 2  9  12 o 511.5250 11.25682 2624.920   115.1629 2624.920   115.1629 ?          ?        511.5250 11.25682 ?        ?        ?         ?        
1 1 1 2  9  13 o 158.2855 5.196891 250.7488   16.45185 250.7488   16.45185 ?          ?        158.2855 5.196891 ?        ?        ?         ?        
1 1 1 2  9  14 o 274.6464 7.022984 755.6502   38.57674 755.6502   38.57674 ?          ?        274.6464 7.022984 ?        ?        ?         ?        
1 1 1 2  9  15 o 333.4922 8.420465 1116.456   56.16319 1116.456   56.16319 ?          ?        333.4922 8.420465 ?        ?        ?         ?        
1 1 1 2  9  16 o 169.1754 5.868369 287.0563   19.85567 287.0563   19.85567 ?          ?        169.1754 5.868369 ?        ?        ?         ?        
1 1 1 2  9  17 o 93.38017 7.897784 87.93227   14.74993 87.93227   14.74993 ?          ?        93.38017 7.897784 ?        ?        ?         ?        
1 1 1 2  9  18 o 105.7451 7.242529 112.8937   15.31723 112.8937   15.31723 ?          ?        105.7451 7.242529 ?        ?        ?         ?        
1 1 1 2  9  19 o 34.13298 14.30659 3.403830   16.45185 3.403830   16.45185 ?          ?        34.13298 14.30659 ?        ?        ?         ?        
1 1 1 2  9  20 o 80.36211 10.23607 66.94199   16.45185 66.94199   16.45185 ?          ?        80.36211 10.23607 ?        ?        ?         ?        
1 1 1 2  10 0  o 980.8581 20.29143 9665.742   397.6808 9665.742   397.6808 9665.742   397.6808 980.8581 20.29143 980.8581 20.29143 -0.000000 0.000000 
1 1 1 2  10 1  o 466.4930 6.992610 2177.884   65.24007 2177.884   65.24007 ?          ?        466.4930 6.992610 ?        ?        ?         ?        
1 1 1 2  10 2  o 913.4619 13.29046 8365.479   242.8065 8365.479   242.8065 ?          ?        913.4619 13.29046 ?        ?        ?         ?        
1 1 1 2  10 3  o 212.7547 3.599741 452.7094   15.31723 452.7094   15.31723 ?          ?        212.7547 3.599741 ?        ?        ?         ?        
1 1 1 2  10 4  o 325.6665 5.138845 1060.860   33.47099 1060.860   33.47099 ?          ?        325.6665 5.138845 ?        ?        ?         ?        
1 1 1 2  10 5  o 206.7818 3.840895 427.7480   15.88454 427.7480   15.88454 ?          ?        206.7818 3.840895 ?        ?        ?         ?        
1 1 1 2  10 6  o 275.5166 4.838789 759.6213   26.66333 759.6213   26.66333 ?          ?        275.5166 4.838789 ?        ?        ?         ?        
1 1 1 2  10 7  o 352.2653 7.085972 1242.965   49.92284 1242.965   49.92284 ?          ?        352.2653 7.085972 ?        ?        ?         ?        
1 1 1 2  10 8  o 430.3145 7.053170 1855.087   60.70163 1855.087   60.70163 ?          ?        430.3145 7.053170 ?        ?        ?         ?        
1 1 1 2  10 9  f 392.2400 10.19656 1543.070   79.99000 1543.070   79.99000 ?          ?        392.2400 10.19656 ?        ?        ?         ?        
1 1 1 2  10 10 o 307.3935 6.920751 945.6974   42.54787 945.6974   42.54787 ?          ?        307.3935 6.920751 ?        ?        ?         ?        
1 1 1 2  10 11 o 345.5192 7.634794 1195.312   52.75936 1195.312   52.75936 ?          ?        345.5192 7.634794 ?        ?        ?         ?        
1 1 1 2  10 12 o 184.2652 5.695674 339.8157   20.99029 339.8157   20.99029 ?          ?        184.2652 5.695674 ?        ?        ?         ?        
1 1 1 2  10 13 o 124.3999 5.016366 154.8743   12.48071 154.8743   12.48071 ?          ?        124.3999 5.016366 ?        ?        ?         ?        
1 1 1 2  10 14 o 217.7508 6.252707 474.8342   27.23064 474.8342   27.23064 ?          ?        217.7508 6.252707 ?        ?        ?         ?        
1 1 1 2  10 15 o 610.7114 17.04577 3789.030   208.2009 3789.030   208.2009 ?          ?        610.7114 17.04577 ?        ?        ?         ?        
1 1 1 2  10 16 o 178.6423 6.986426 320.5273   24.96142 320.5273   24.96142 ?          ?        178.6423 6.986426 ?        ?        ?         ?        
1 1 1 2  10 17 o 94.40376 9.314488 90.20149   17.58645 90.20149   17.58645 ?          ?        94.40376 9.314488 ?        ?        ?         ?        
1 1 1 2  10 18 o 50.04931 14.47902 26.66333   15.31723 26.66333   15.31723 ?          ?        50.04931 14.47902 ?        ?        ?         ?        
1 1 1 2  10 19 o 22.35670 10.90359 -27.79794  15.88454 -27.79794  15.88454 ?          ?        22.35670 10.90359 ?        ?        ?         ?        
1 1 1 2  10 20 o 81.69885 11.45736 69.77851   18.72106 69.77851   18.72106 ?          ?        81.69885 11.45736 ?        ?        ?         ?        
1 1 1 2  11 0  o 110.7976 3.334782 123.1052   7.374964 123.1052   7.374964 123.1052   7.374964 110.7976 3.334782 110.7976 3.334782 -0.000000 0.000000 
1 1 1 2  11 1  o 444.4903 6.636783 1977.058   58.99971 1977.058   58.99971 ?          ?        444.4903 6.636783 ?        ?        ?         ?        
1 1 1 2  11 2  o 738.1729 10.87464 5457.474   160.5473 5457.474   160.5473 ?          ?        738.1729 10.87464 ?        ?        ?         ?        
1 1 1 2  11 3  o 398.4097 6.051675 1587.886   48.22092 1587.886   48.22092 ?          ?        398.4097 6.051675 ?        ?        ?         ?        
1 1 1 2  11 4  o 761.9568 11.94982 5814.876   182.1049 5814.876   182.1049 ?          ?        761.9568 11.94982 ?        ?        ?         ?        
1 1 1 2  11 5  o 139.2757 2.851277 194.0183   7.942269 194.0183   7.942269 ?          ?        139.2757 2.851277 ?        ?        ?         ?        
1 1 1 2  11 6  f 413.9891 6.440588 1716.097   53.32666 1716.097   53.32666 ?          ?        413.9891 6.440588 ?        ?        ?         ?        
1 1 1 2  11 7  o 181.1987 3.600472 328.4696   13.04801 328.4696   13.04801 ?          ?        181.1987 3.600472 ?        ?        ?         ?        
1 1 1 2  11 8  o 170.7039 4.154160 291.5948   14.18262 291.5948   14.18262 ?          ?        170.7039 4.154160 ?        ?        ?         ?        
1 1 1 2  11 9  o 468.9275 10.28324 2205.682   96.44185 2205.682   96.44185 ?          ?        468.9275 10.28324 ?        ?        ?         ?        
1 1 1 2  11 10 o 329.1949 7.324069 1084.687   48.22092 1084.687   48.22092 ?          ?        329.1949 7.324069 ?        ?        ?         ?        
1 1 1 2  11 11 o 214.9597 5.410202 462.3535   23.25950 462.3535   23.25950 ?          ?        214.9597 5.410202 ?        ?        ?         ?        
1 1 1 2  11 12 o 77.86818 6.556908 60.70163   10.21149 60.70163   10.21149 ?          ?        77.86818 6.556908 ?        ?        ?         ?        
1 1 1 2  11 13 o 86.46391 7.217294 74.88425   12.48071 74.88425   12.48071 ?          ?        86.46391 7.217294 ?        ?        ?         ?        
1 1 1 2  11 14 o 225.5400 6.288296 509.4399   28.36525 509.4399   28.36525 ?          ?        225.5400 6.288296 ?        ?        ?         ?        
1 1 1 2  11 15 o 380.2240 10.89181 1455.137   82.82652 1455.137   82.82652 ?          ?        380.2240 10.89181 ?        ?        ?         ?        
1 1 1 2  11 16 o 237.1288 8.732231 566.1703   41.41326 566.1703   41.41326 ?          ?        237.1288 8.732231 ?        ?        ?         ?        
1 1 1 2  11 17 o 68.46230 10.77230 47.65361   14.74993 47.65361   14.74993 ?          ?        68.46230 10.77230 ?        ?        ?         ?        
1 1 1 2  11 18 o 48.41908 13.90814 24.96142   14.18262 24.96142   14.18262 ?          ?        48.41908 13.90814 ?        ?        ?         ?        
1 1 1 2  11 19 o 112.8829 9.297368 130.4801   20.99029 130.4801   20.99029 ?          ?        112.8829 9.297368 ?        ?        ?         ?        
1 1 1 2  12 0  o 606.0549 12.78993 3682.376   154.8743 3682.376   154.8743 3682.376   154.8743 606.0549 12.78993 606.0549 12.78993 -0.000000 0.000000 
1 1 1 2  12 1  o 369.1383 5.609451 1363.234   41.41326 1363.234   41.41326 ?          ?        369.1383 5.609451 ?        ?        ?         ?        
1 1 1 2  12 2  o 100.2024 2.547714 100.4130   5.105744 100.4130   5.105744 ?          ?        100.2024 2.547714 ?        ?        ?         ?        
1 1 1 2  12 3  o 887.2090 12.91642 7883.836   229.1912 7883.836   229.1912 ?          ?        887.2090 12.91642 ?        ?        ?         ?        
1 1 1 2  12 4  o 192.8976 3.382110 372.1520   13.04801 372.1520   13.04801 ?          ?        192.8976 3.382110 ?        ?        ?         ?        
1 1 1 2  12 5  o 255.5858 4.217289 653.5353   21.55759 653.5353   21.55759 ?          ?        255.5858 4.217289 ?        ?        ?         ?        
1 1 1 2  12 6  o 63.45234 3.576259 40.27865   4.538440 40.27865   4.538440 ?          ?        63.45234 3.576259 ?        ?        ?         ?        
1 1 1 2  12 7  o 226.5300 3.881705 513.4110   17.58645 513.4110   17.58645 ?          ?        226.5300 3.881705 ?        ?        ?         ?        
1 1 1 2  12 8  o 104.3345 3.806157 108.9226   7.942269 108.9226   7.942269 ?          ?        104.3345 3.806157 ?        ?        ?         ?        
1 1 1 2  12 9  o 543.4148 11.74458 2964.736   127.6436 2964.736   127.6436 ?          ?        543.4148 11.74458 ?        ?        ?         ?        
1 1 1 2  12 10 o 92.84380 4.582737 86.23035   8.509575 86.23035   8.509575 ?          ?        92.84380 4.582737 ?        ?        ?         ?        
1 1 1 2  12 11 o 87.49014 5.187373 76.58617   9.076880 76.58617   9.076880 ?          ?        87.49014 5.187373 ?        ?        ?         ?        
1 1 1 2  12 12 o 448.0255 10.69968 2013.365   95.87454 2013.365   95.87454 ?          ?        448.0255 10.69968 ?        ?        ?         ?        
1 1 1 2  12 13 o 166.4700 5.622953 277.4121   18.72106 277.4121   18.72106 ?          ?        166.4700 5.622953 ?        ?        ?         ?        
1 1 1 2  12 14 f 596.2240 16.65119 3593.310   198.5567 3593.310   198.5567 ?          ?        596.2240 16.65119 ?        ?        ?         ?        
1 1 1 2  12 15 o 134.5753 6.534055 181.5376   17.58645 181.5376   17.58645 ?          ?        134.5753 6.534055 ?        ?        ?         ?        
1 1 1 2  12 16 o 261.5277 7.700648 687.5735   40.27865 687.5735   40.27865 ?          ?        261.5277 7.700648 ?        ?        ?         ?        
1 1 1 2  12 17 o 216.9882 7.059018 474.2669   30.63447 474.2669   30.63447 ?          ?        216.9882 7.059018 ?        ?        ?         ?        
1 1 1 2  12 18 o 125.4393 7.914454 159.4127   19.85567 159.4127   19.85567 ?          ?        125.4393 7.914454 ?        ?        ?         ?        
1 1 1 2  12 19 o 91.54782 12.39363 87.36497   22.69220 87.36497   22.69220 ?          ?        91.54782 12.39363 ?        ?        ?         ?        
1 1 1 2  13 0  o 55.26643 4.683923 31.20177   5.105744 31.20177   5.105744 31.20177   5.105744 55.26643 4.683923 55.26643 4.683923 -0.000000 0.000000 
1 1 1 2  13 1  o 676.8154 10.60320 4587.228   143.5282 4587.228   143.5282 ?          ?        676.8154 10.60320 ?        ?        ?         ?        
1 1 1 2  13 2  o 714.5603 10.55916 5111.985   150.9031 5111.985   150.9031 ?          ?        714.5603 10.55916 ?        ?        ?         ?        
1 1 1 2  13 3  o 608.0888 9.002785 3700.530   109.4899 3700.530   109.4899 ?          ?        608.0888 9.002785 ?        ?        ?         ?        
1 1 1 2  13 4  o 388.3377 5.989504 1509.031   46.51900 1509.031   46.51900 ?          ?        388.3377 5.989504 ?        ?        ?         ?        
1 1 1 2  13 5  f 471.4552 7.159671 2225.537   67.50929 2225.537   67.50929 ?          ?        471.4552 7.159671 ?        ?        ?         ?        
1 1 1 2  13 6  o 439.8936 6.706135 1937.914   58.99971 1937.914   58.99971 ?          ?        439.8936 6.706135 ?        ?        ?         ?        
1 1 1 2  13 7  o 52.70795 4.305271 27.79794   4.538440 27.79794   4.538440 ?          ?        52.70795 4.305271 ?        ?        ?         ?        
1 1 1 2  13 8  f 427.6143 7.031375 1832.395   60.13433 1832.395   60.13433 ?          ?        427.6143 7.031375 ?        ?        ?         ?        
1 1 1 2  13 9  o 319.8579 8.602035 1025.120   55.02858 1025.120   55.02858 ?          ?        319.8579 8.602035 ?        ?        ?         ?        
1 1 1 2  13 10 o 47.61554 7.148570 22.69220   6.807660 22.69220   6.807660 ?          ?        47.61554 7.148570 ?        ?        ?         ?        
1 1 1 2  13 11 o 575.1143 14.64836 3321.571   168.4896 3321.571   168.4896 ?          ?        575.1143 14.64836 ?        ?        ?         ?        
1 1 1 2  13 12 o 560.7328 13.15237 3159.322   147.4993 3159.322   147.4993 ?          ?        560.7328 13.15237 ?        ?        ?         ?        
1 1 1 2  13 13 f 513.7417 12.14687 2652.718   124.8071 2652.718   124.8071 ?          ?        513.7417 12.14687 ?        ?        ?         ?        
1 1 1 2  13 14 o 537.2571 14.99418 2913.111   161.1146 2913.111   161.1146 ?          ?        537.2571 14.99418 ?        ?        ?         ?        
1 1 1 2  13 15 o 149.0874 7.229848 222.9509   21.55759 222.9509   21.55759 ?          ?        149.0874 7.229848 ?        ?        ?         ?        
1 1 1 2  13 16 o 290.9330 8.287291 851.5248   48.22092 851.5248   48.22092 ?          ?        290.9330 8.287291 ?        ?        ?         ?        
1 1 1 2  13 17 o 203.7515 9.745044 420.9402   39.71135 420.9402   39.71135 ?          ?        203.7515 9.745044 ?        ?        ?         ?        
1 1 1 2  13 18 o 64.88020 10.49266 43.11518   13.61532 43.11518   13.61532 ?          ?        64.88020 10.49266 ?        ?        ?         ?        
1 1 1 2  13 19 f 83.37402 8.505422 70.91312   14.18262 70.91312   14.18262 ?          ?        83.37402 8.505422 ?        ?        ?         ?        
1 1 1 2  14 0  o 1313.490 26.99799 17347.62   708.5638 17347.62   708.5638 17347.62   708.5638 1313.490 26.99799 1313.490 26.99799 -0.000000 0.000000 
1 1 1 2  14 1  o 1206.140 17.47341 14596.76   421.5076 14596.76   421.5076 ?          ?        1206.140 17.47341 ?        ?        ?         ?        
1 1 1 2  14 2  o 279.6718 4.462628 782.3135   24.96142 782.3135   24.96142 ?          ?        279.6718 4.462628 ?        ?        ?         ?        
1 1 1 2  14 3  o 628.9476 10.01210 3959.789   125.9417 3959.789   125.9417 ?          ?        628.9476 10.01210 ?        ?        ?         ?        
1 1 1 2  14 4  o 238.8492 4.037771 570.7088   19.28837 570.7088   19.28837 ?          ?        238.8492 4.037771 ?        ?        ?         ?        
1 1 1 2  14 5  o 230.8791 3.931442 533.2667   18.15376 533.2667   18.15376 ?          ?        230.8791 3.931442 ?        ?        ?         ?        
1 1 1 2  14 6  o 276.4403 4.617403 764.7272   25.52872 764.7272   25.52872 ?          ?        276.4403 4.617403 ?        ?        ?         ?        
1 1 1 2  14 7  o 436.6680 6.690715 1909.549   58.43241 1909.549   58.43241 ?          ?        436.6680 6.690715 ?        ?        ?         ?        
1 1 1 2  14 8  o 534.8202 9.493620 2870.563   101.5476 2870.563   101.5476 ?          ?        534.8202 9.493620 ?        ?        ?         ?        
1 1 1 2  14 9  o 318.6741 6.675766 1016.610   42.54787 1016.610   42.54787 ?          ?        318.6741 6.675766 ?        ?        ?         ?        
1 1 1 2  14 10 o 382.1847 8.460930 1462.512   64.67276 1462.512   64.67276 ?          ?        382.1847 8.460930 ?        ?        ?         ?        
1 1 1 2  14 11 o 205.2111 6.773014 421.5076   27.79794 421.5076   27.79794 ?          ?        205.2111 6.773014 ?        ?        ?         ?        
1 1 1 2  14 12 o 506.0346 15.86327 2579.536   160.5473 2579.536   160.5473 ?          ?        506.0346 15.86327 ?        ?        ?         ?        
1 1 1 2  14 13 o 849.5175 19.86695 7319.368   337.5464 7319.368   337.5464 ?          ?        849.5175 19.86695 ?        ?        ?         ?        
1 1 1 2  14 14 o 572.9613 17.92131 3328.945   205.3644 3328.945   205.3644 ?          ?        572.9613 17.92131 ?        ?        ?         ?        
1 1 1 2  14 15 o 189.6912 6.579487 360.8060   24.96142 360.8060   24.96142 ?          ?        189.6912 6.579487 ?        ?        ?         ?        
1 1 1 2  14 16 o 200.6522 8.199185 405.0558   32.90369 405.0558   32.90369 ?          ?        200.6522 8.199185 ?        ?        ?         ?        
1 1 1 2  14 17 o 93.10154 7.312081 87.36497   13.61532 87.36497   13.61532 ?          ?        93.10154 7.312081 ?        ?        ?         ?        
1 1 1 2  14 18 o 103.4991 7.125633 108.3553   14.74993 108.3553   14.74993 ?          ?        103.4991 7.125633 ?        ?        ?         ?        
1 1 1 2  14 19 o 33.41622 12.54308 9.076880   11.34610 9.076880   11.34610 ?          ?        33.41622 12.54308 ?        ?        ?         ?        
1 1 1 2  15 0  o 438.0780 9.333332 1922.596   81.69191 1922.596   81.69191 1922.596   81.69191 438.0780 9.333332 438.0780 9.333332 -0.000000 0.000000 
1 1 1 2  15 1  o 589.9700 8.702325 3483.252   102.6822 3483.252   102.6822 ?          ?        589.9700 8.702325 ?        ?        ?         ?        
1 1 1 2  15 2  o 817.5236 12.03970 6692.497   196.8548 6692.497   196.8548 ?          ?        817.5236 12.03970 ?        ?        ?         ?        
1 1 1 2  15 3  o 646.4969 9.564816 4184.441   123.6725 4184.441   123.6725 ?          ?        646.4969 9.564816 ?        ?        ?         ?        
1 1 1 2  15 4  o 330.2593 5.239157 1091.495   34.60560 1091.495   34.60560 ?          ?        330.2593 5.239157 ?        ?        ?         ?        
1 1 1 2  15 5  o 619.8347 9.289808 3851.434   115.1629 3851.434   115.1629 ?          ?        619.8347 9.289808 ?        ?        ?         ?        
1 1 1 2  15 6  o 361.1819 5.733020 1305.936   41.41326 1305.936   41.41326 ?          ?        361.1819 5.733020 ?        ?        ?         ?        
1 1 1 2  15 7  o 233.6683 4.127296 546.3147   19.28837 546.3147   19.28837 ?          ?        233.6683 4.127296 ?        ?        ?         ?        
1 1 1 2  15 8  o 325.9384 6.091848 1063.697   39.71135 1063.697   39.71135 ?          ?        325.9384 6.091848 ?        ?        ?         ?        
1 1 1 2  15 9  o 907.8239 18.09104 8298.537   328.4696 8298.537   328.4696 ?          ?        907.8239 18.09104 ?        ?        ?         ?        
1 1 1 2  15 10 o 141.2811 4.818522 199.6914   13.61532 199.6914   13.61532 ?          ?        141.2811 4.818522 ?        ?        ?         ?        
1 1 1 2  15 11 o 420.1354 9.924637 1768.857   83.39383 1768.857   83.39383 ?          ?        420.1354 9.924637 ?        ?        ?         ?        
1 1 1 2  15 12 o 544.3195 13.86163 2980.053   150.9031 2980.053   150.9031 ?          ?        544.3195 13.86163 ?        ?        ?         ?        
1 1 1 2  15 13 o 241.2689 7.054018 583.1895   34.03830 583.1895   34.03830 ?          ?        241.2689 7.054018 ?        ?        ?         ?        
1 1 1 2  15 14 o 45.98726 11.19259 22.12490   10.21149 22.12490   10.21149 ?          ?        45.98726 11.19259 ?        ?        ?         ?        
1 1 1 2  15 15 o 367.1657 9.888593 1356.994   72.61504 1356.994   72.61504 ?          ?        367.1657 9.888593 ?        ?        ?         ?        
1 1 1 2  15 16 o 63.65121 15.67928 43.11518   19.85567 43.11518   19.85567 ?          ?        63.65121 15.67928 ?        ?        ?         ?        
1 1 1 2  15 17 o 100.9288 11.24169 103.8168   22.69220 103.8168   22.69220 ?          ?        100.9288 11.24169 ?        ?        ?         ?        
1 1 1 2  15 18 o 63.27879 17.97924 44.24979   23.82681 44.24979   23.82681 ?          ?        63.27879 17.97924 ?        ?        ?         ?        
1 1 1 2  15 19 f 53.07889 18.77191 28.93255   24.96142 28.93255   24.96142 ?          ?        53.07889 18.77191 ?        ?        ?         ?        
1 1 1 2  16 0  o 504.5543 10.74858 2550.603   108.3553 2550.603   108.3553 2550.603   108.3553 504.5543 10.74858 504.5543 10.74858 -0.000000 0.000000 
1 1 1 2  16 1  o 549.2454 8.263046 3018.629   90.76879 3018.629   90.76879 ?          ?        549.2454 8.263046 ?        ?        ?         ?        
1 1 1 2  16 2  o 930.8363 14.59650 8683.170   271.7391 8683.170   271.7391 ?          ?        930.8363 14.59650 ?        ?        ?         ?        
1 1 1 2  16 3  o 455.7218 6.908915 2078.605   62.97085 2078.605   62.97085 ?          ?        455.7218 6.908915 ?        ?        ?         ?        
1 1 1 2  16 4  f 54.81850 4.656954 30.06716   5.105744 30.06716   5.105744 ?          ?        54.81850 4.656954 ?        ?        ?         ?        
1 1 1 2  16 5  o 189.7614 3.587484 360.2386   13.61532 360.2386   13.61532 ?          ?        189.7614 3.587484 ?        ?        ?         ?        
1 1 1 2  16 6  o 275.2100 4.534977 757.9195   24.96142 757.9195   24.96142 ?          ?        275.2100 4.534977 ?        ?        ?         ?        
1 1 1 2  16 7  f 606.2252 9.685520 3686.915   117.4321 3686.915   117.4321 ?          ?        606.2252 9.685520 ?        ?        ?         ?        
1 1 1 2  16 8  o 519.6101 7.915475 2704.910   82.25922 2704.910   82.25922 ?          ?        519.6101 7.915475 ?        ?        ?         ?        
1 1 1 2  16 9  o 442.8891 8.966432 1964.577   79.42269 1964.577   79.42269 ?          ?        442.8891 8.966432 ?        ?        ?         ?        
1 1 1 2  16 10 o 368.8390 7.767319 1362.099   57.29780 1362.099   57.29780 ?          ?        368.8390 7.767319 ?        ?        ?         ?        
1 1 1 2  16 11 o 612.1508 14.27180 3764.635   174.7299 3764.635   174.7299 ?          ?        612.1508 14.27180 ?        ?        ?         ?        
1 1 1 2  16 12 o 650.2915 15.26675 4258.758   198.5567 4258.758   198.5567 ?          ?        650.2915 15.26675 ?        ?        ?         ?        
1 1 1 2  16 13 o 464.2596 11.97517 2167.105   111.1918 2167.105   111.1918 ?          ?        464.2596 11.97517 ?        ?        ?         ?        
1 1 1 2  16 14 o 356.9948 8.978486 1279.273   64.10546 1279.273   64.10546 ?          ?        356.9948 8.978486 ?        ?        ?         ?        
1 1 1 2  16 15 o 337.6642 9.324478 1147.091   62.97085 1147.091   62.97085 ?          ?        337.6642 9.324478 ?        ?        ?         ?        
1 1 1 2  16 16 o 63.93669 17.00302 43.68248   22.12490 43.68248   22.12490 ?          ?        63.93669 17.00302 ?        ?        ?         ?        
1 1 1 2  16 17 o 82.50633 10.31384 69.21120   17.01915 69.21120   17.01915 ?          ?        82.50633 10.31384 ?        ?        ?         ?        
1 1 1 2  16 18 o 59.47865 18.01021 38.57674   23.25950 38.57674   23.25950 ?          ?        59.47865 18.01021 ?        ?        ?         ?        
1 1 1 2  16 19 o 163.4823 9.022337 274.0083   29.49986 274.0083   29.49986 ?          ?        163.4823 9.022337 ?        ?        ?         ?        
1 1 1 2  17 0  o 1309.955 26.89739 17240.40   704.0255 17240.40   704.0255 17240.40   704.0255 1309.955 26.89739 1309.955 26.89739 -0.000000 0.000000 
1 1 1 2  17 1  o 259.6930 4.259817 674.5256   22.12490 674.5256   22.12490 ?          ?        259.6930 4.259817 ?        ?        ?         ?        
1 1 1 2  17 2  o 414.0807 6.370662 1715.530   52.75936 1715.530   52.75936 ?          ?        414.0807 6.370662 ?        ?        ?         ?        
1 1 1 2  17 3  o 307.7972 4.976405 947.9666   30.63447 947.9666   30.63447 ?          ?        307.7972 4.976405 ?        ?        ?         ?        
1 1 1 2  17 4  o 93.45615 3.338654 87.36497   6.240355 87.36497   6.240355 ?          ?        93.45615 3.338654 ?        ?        ?         ?        
1 1 1 2  17 5  o 159.3950 3.203202 254.1526   10.21149 254.1526   10.21149 ?          ?        159.3950 3.203202 ?        ?        ?         ?        
1 1 1 2  17 6  o 434.7751 6.719844 1893.097   58.43241 1893.097   58.43241 ?          ?        434.7751 6.719844 ?        ?        ?         ?        
1 1 1 2  17 7  o 129.5590 3.284055 167.9223   8.509575 167.9223   8.509575 ?          ?        129.5590 3.284055 ?        ?        ?         ?        
1 1 1 2  17 8  o 261.2699 4.668375 683.0352   24.39412 683.0352   24.39412 ?          ?        261.2699 4.668375 ?        ?        ?         ?        
1 1 1 2  17 9  f 528.5131 10.62664 2799.083   112.3264 2799.083   112.3264 ?          ?        528.5131 10.62664 ?        ?        ?         ?        
1 1 1 2  17 10 o 535.4635 10.85952 2874.534   116.2975 2874.534   116.2975 ?          ?        535.4635 10.85952 ?        ?        ?         ?        
1 1 1 2  17 11 o 224.4581 6.571352 504.3341   29.49986 504.3341   29.49986 ?          ?        224.4581 6.571352 ?        ?        ?         ?        
1 1 1 2  17 12 o 140.4296 6.059675 197.4221   17.01915 197.4221   17.01915 ?          ?        140.4296 6.059675 ?        ?        ?         ?        
1 1 1 2  17 13 o 542.6962 12.91001 2963.601   140.1243 2963.601   140.1243 ?          ?        542.6962 12.91001 ?        ?        ?         ?        
1 1 1 2  17 14 o 552.8088 14.21319 3083.870   157.1435 3083.870   157.1435 ?          ?        552.8088 14.21319 ?        ?        ?         ?        
1 1 1 2  17 15 o 263.8981 7.953937 699.4871   41.98057 699.4871   41.98057 ?          ?        263.8981 7.953937 ?        ?        ?         ?        
1 1 1 2  17 16 o 172.7121 7.062075 300.1043   24.39412 300.1043   24.39412 ?          ?        172.7121 7.062075 ?        ?        ?         ?        
1 1 1 2  17 17 f 55.41127 14.99325 32.90369   17.01915 32.90369   17.01915 ?          ?        55.41127 14.99325 ?        ?        ?         ?        
1 1 1 2  17 18 o 116.3816 8.774146 137.8551   20.42298 137.8551   20.42298 ?          ?        116.3816 8.774146 ?        ?        ?         ?        
1 1 1 2  17 19 f 154.9892 7.503587 244.5084   23.25950 244.5084   23.25950 ?          ?        154.9892 7.503587 ?        ?        ?         ?        
1 1 1 2  18 0  o 102.4277 4.448962 105.5187   9.076880 105.5187   9.076880 105.5187   9.076880 102.4277 4.448962 102.4277 4.448962 -0.000000 0.000000 
1 1 1 2  18 1  o 1066.129 15.53780 11401.13   331.3061 11401.13   331.3061 ?          ?        1066.129 15.53780 ?        ?        ?         ?        
1 1 1 2  18 2  o 230.8913 3.931236 533.2667   18.15376 533.2667   18.15376 ?          ?        230.8913 3.931236 ?        ?        ?         ?        
1 1 1 2  18 3  f 268.1400 4.337193 719.3427   23.25950 719.3427   23.25950 ?          ?        268.1400 4.337193 ?        ?        ?         ?        
1 1 1 2  18 4  o 437.2896 6.810935 1914.654   59.56702 1914.654   59.56702 ?          ?        437.2896 6.810935 ?        ?        ?         ?        
1 1 1 2  18 5  o 590.3867 8.888362 3494.599   104.9514 3494.599   104.9514 ?          ?        590.3867 8.888362 ?        ?        ?         ?        
1 1 1 2  18 6  o 138.0390 3.287795 190.6145   9.076880 190.6145   9.076880 ?          ?        138.0390 3.287795 ?        ?        ?         ?        
1 1 1 2  18 7  o 386.9841 6.230349 1499.954   48.22092 1499.954   48.22092 ?          ?        386.9841 6.230349 ?        ?        ?         ?        
1 1 1 2  18 8  o 189.7408 4.634337 360.2386   17.58645 360.2386   17.58645 ?          ?        189.7408 4.634337 ?        ?        ?         ?        
1 1 1 2  18 9  o 562.2953 11.35023 3168.966   127.6436 3168.966   127.6436 ?          ?        562.2953 11.35023 ?        ?        ?         ?        
1 1 1 2  18 10 o 419.4395 10.00873 1763.184   83.96114 1763.184   83.96114 ?          ?        419.4395 10.00873 ?        ?        ?         ?        
1 1 1 2  18 11 o 537.6394 11.87075 2900.630   127.6436 2900.630   127.6436 ?          ?        537.6394 11.87075 ?        ?        ?         ?        
1 1 1 2  18 12 o 196.7546 5.478293 387.4693   21.55759 387.4693   21.55759 ?          ?        196.7546 5.478293 ?        ?        ?         ?        
1 1 1 2  18 13 o 487.1893 13.79867 2390.056   134.4513 2390.056   134.4513 ?          ?        487.1893 13.79867 ?        ?        ?         ?        
1 1 1 2  18 14 o 237.4642 6.808685 565.0358   32.33638 565.0358   32.33638 ?          ?        237.4642 6.808685 ?        ?        ?         ?        
1 1 1 2  18 15 o 185.6985 7.179199 346.0561   26.66333 346.0561   26.66333 ?          ?        185.6985 7.179199 ?        ?        ?         ?        
1 1 1 2  18 16 o 134.4888 7.381904 182.1049   19.85567 182.1049   19.85567 ?          ?        134.4888 7.381904 ?        ?        ?         ?        
1 1 1 2  18 17 o 311.1026 9.026473 980.8702   56.16319 980.8702   56.16319 ?          ?        311.1026 9.026473 ?        ?        ?         ?        
1 1 1 2  18 18 o 65.51417 13.84918 46.51900   17.58645 46.51900   17.58645 ?          ?        65.51417 13.84918 ?        ?        ?         ?        
1 1 1 2  18 19 o 286.5979 8.709560 841.3133   49.92284 841.3133   49.92284 ?          ?        286.5979 8.709560 ?        ?        ?         ?        
1 1 1 2  19 0  o 55.42550 7.369606 32.33638   7.942269 32.33638   7.942269 32.33638   7.942269 55.42550 7.369606 55.42550 7.369606 -0.000000 0.000000 
1 1 1 2  19 1  f 536.8179 8.031621 2885.313   86.23035 2885.313   86.23035 ?          ?        536.8179 8.031621 ?        ?        ?         ?        
1 1 1 2  19 2  o 118.8399 2.864214 141.2589   6.807660 141.2589   6.807660 ?          ?        118.8399 2.864214 ?        ?        ?         ?        
1 1 1 2  19 3  o 718.4367 10.66011 5176.090   153.1723 5176.090   153.1723 ?          ?        718.4367 10.66011 ?        ?        ?         ?        
1 1 1 2  19 4  o 338.9514 5.439545 1149.927   36.87482 1149.927   36.87482 ?          ?        338.9514 5.439545 ?        ?        ?         ?        
1 1 1 2  19 5  o 180.2569 3.619282 325.0657   13.04801 325.0657   13.04801 ?          ?        180.2569 3.619282 ?        ?        ?         ?        
1 1 1 2  19 6  o 88.13812 3.861927 77.72078   6.807660 77.72078   6.807660 ?          ?        88.13812 3.861927 ?        ?        ?         ?        
1 1 1 2  19 7  o 422.7377 6.642794 1790.415   56.16319 1790.415   56.16319 ?          ?        422.7377 6.642794 ?        ?        ?         ?        
1 1 1 2  19 8  o 88.77528 4.473244 78.85539   7.942269 78.85539   7.942269 ?          ?        88.77528 4.473244 ?        ?        ?         ?        
1 1 1 2  19 9  o 634.3453 12.83343 4035.240   162.8165 4035.240   162.8165 ?          ?        634.3453 12.83343 ?        ?        ?         ?        
1 1 1 2  19 10 o 278.0630 6.120609 773.8040   34.03830 773.8040   34.03830 ?          ?        278.0630 6.120609 ?        ?        ?         ?        
1 1 1 2  19 11 o 354.8192 9.273367 1261.686   65.80738 1261.686   65.80738 ?          ?        354.8192 9.273367 ?        ?        ?         ?        
1 1 1 2  19 12 o 78.56859 7.581531 61.83624   11.91340 61.83624   11.91340 ?          ?        78.56859 7.581531 ?        ?        ?         ?        
1 1 1 2  19 13 o 246.8901 6.318960 610.4202   31.20177 610.4202   31.20177 ?          ?        246.8901 6.318960 ?        ?        ?         ?        
1 1 1 2  19 14 o 219.6334 6.586557 483.3438   28.93255 483.3438   28.93255 ?          ?        219.6334 6.586557 ?        ?        ?         ?        
1 1 1 2  19 15 o 238.0649 7.625550 569.0069   36.30752 569.0069   36.30752 ?          ?        238.0649 7.625550 ?        ?        ?         ?        
1 1 1 2  19 16 o 110.4338 8.733003 123.1052   19.28837 123.1052   19.28837 ?          ?        110.4338 8.733003 ?        ?        ?         ?        
1 1 1 2  19 17 o 175.5525 7.270967 310.8831   25.52872 310.8831   25.52872 ?          ?        175.5525 7.270967 ?        ?        ?         ?        
1 1 1 2  19 18 o 52.11831 15.32208 29.49986   17.01915 29.49986   17.01915 ?          ?        52.11831 15.32208 ?        ?        ?         ?        
1 1 1 2  19 19 o 88.50596 10.57616 81.12460   18.72106 81.12460   18.72106 ?          ?        88.50596 10.57616 ?        ?        ?         ?        
1 1 1 2  20 0  o 300.6720 6.894844 905.9860   41.41326 905.9860   41.41326 905.9860   41.41326 300.6720 6.894844 300.6720 6.894844 -0.000000 0.000000 
1 1 1 2  20 1  o 201.5069 3.659906 406.1903   14.74993 406.1903   14.74993 ?          ?        201.5069 3.659906 ?        ?        ?         ?        
1 1 1 2  20 2  o 70.63853 4.417104 49.92284   6.240355 49.92284   6.240355 ?          ?        70.63853 4.417104 ?        ?        ?         ?        
1 1 1 2  20 3  o 725.9566 10.70598 5286.147   155.4416 5286.147   155.4416 ?          ?        725.9566 10.70598 ?        ?        ?         ?        
1 1 1 2  20 4  o 234.6381 4.110239 550.8531   19.28837 550.8531   19.28837 ?          ?        234.6381 4.110239 ?        ?        ?         ?        
1 1 1 2  20 5  o 513.7050 7.785597 2644.208   79.99000 2644.208   79.99000 ?          ?        513.7050 7.785597 ?        ?        ?         ?        
1 1 1 2  20 6  o 332.9538 5.367144 1109.649   35.74022 1109.649   35.74022 ?          ?        332.9538 5.367144 ?        ?        ?         ?        
1 1 1 2  20 7  o 287.3788 4.836464 826.5633   27.79794 826.5633   27.79794 ?          ?        287.3788 4.836464 ?        ?        ?         ?        
1 1 1 2  20 8  o 109.1158 4.939151 119.1340   10.77879 119.1340   10.77879 ?          ?        109.1158 4.939151 ?        ?        ?         ?        
1 1 1 2  20 9  o 652.5099 13.08477 4270.104   170.7588 4270.104   170.7588 ?          ?        652.5099 13.08477 ?        ?        ?         ?        
1 1 1 2  20 10 o 269.7629 6.939822 728.4196   37.44213 728.4196   37.44213 ?          ?        269.7629 6.939822 ?        ?        ?         ?        
1 1 1 2  20 11 o 412.7603 10.72046 1708.723   88.49958 1708.723   88.49958 ?          ?        412.7603 10.72046 ?        ?        ?         ?        
1 1 1 2  20 12 o 188.3228 6.627296 355.1329   24.96142 355.1329   24.96142 ?          ?        188.3228 6.627296 ?        ?        ?         ?        
1 1 1 2  20 13 o 196.8750 5.619020 388.0366   22.12490 388.0366   22.12490 ?          ?        196.8750 5.619020 ?        ?        ?         ?        
1 1 1 2  20 14 o 165.5346 6.340151 274.5756   20.99029 274.5756   20.99029 ?          ?        165.5346 6.340151 ?        ?        ?         ?        
1 1 1 2  20 15 o 101.7270 6.692089 103.8168   13.61532 103.8168   13.61532 ?          ?        101.7270 6.692089 ?        ?        ?         ?        
1 1 1 2  20 16 o 255.9801 7.978346 660.3430   40.84595 660.3430   40.84595 ?          ?        255.9801 7.978346 ?        ?        ?         ?        
1 1 1 2  20 17 o 80.32647 10.94686 65.80738   17.58645 65.80738   17.58645 ?          ?        80.32647 10.94686 ?        ?        ?         ?        
1 1 1 2  20 18 o 95.27277 9.824982 93.03801   18.72106 93.03801   18.72106 ?          ?        95.27277 9.824982 ?        ?        ?         ?        
1 1 1 2  20 19 o 75.56391 11.63681 59.56702   17.58645 59.56702   17.58645 ?          ?        75.56391 11.63681 ?        ?        ?         ?        
1 1 1 2  21 0  f 143.8609 4.544917 207.6336   13.04801 207.6336   13.04801 207.6336   13.04801 143.8609 4.544917 143.8609 4.544917 -0.000000 0.000000 
1 1 1 2  21 1  o 505.5547 7.686684 2559.680   77.72078 2559.680   77.72078 ?          ?        505.5547 7.686684 ?        ?        ?         ?        
1 1 1 2  21 2  o 322.8002 5.184475 1042.707   33.47099 1042.707   33.47099 ?          ?        322.8002 5.184475 ?        ?        ?         ?        
1 1 1 2  21 3  o 726.2517 10.77975 5292.956   156.5762 5292.956   156.5762 ?          ?        726.2517 10.77975 ?        ?        ?         ?        
1 1 1 2  21 4  o 199.3746 3.699049 397.6808   14.74993 397.6808   14.74993 ?          ?        199.3746 3.699049 ?        ?        ?         ?        
1 1 1 2  21 5  o 913.6363 13.53629 8397.248   247.3450 8397.248   247.3450 ?          ?        913.6363 13.53629 ?        ?        ?         ?        
1 1 1 2  21 6  o 87.16479 3.905051 76.01886   6.807660 76.01886   6.807660 ?          ?        87.16479 3.905051 ?        ?        ?         ?        
1 1 1 2  21 7  o 340.4566 5.498810 1160.139   37.44213 1160.139   37.44213 ?          ?        340.4566 5.498810 ?        ?        ?         ?        
1 1 1 2  21 8  o 98.47148 4.608888 97.00916   9.076880 97.00916   9.076880 ?          ?        98.47148 4.608888 ?        ?        ?         ?        
1 1 1 2  21 9  o 311.4291 6.648906 970.6588   41.41326 970.6588   41.41326 ?          ?        311.4291 6.648906 ?        ?        ?         ?        
1 1 1 2  21 10 o 276.2275 6.161281 763.5925   34.03830 763.5925   34.03830 ?          ?        276.2275 6.161281 ?        ?        ?         ?        
1 1 1 2  21 11 o 520.5986 12.31380 2721.362   128.2109 2721.362   128.2109 ?          ?        520.5986 12.31380 ?        ?        ?         ?        
1 1 1 2  21 12 o 130.8294 5.420274 171.3261   14.18262 171.3261   14.18262 ?          ?        130.8294 5.420274 ?        ?        ?         ?        
1 1 1 2  21 13 o 677.1050 16.00273 4628.074   216.7105 4628.074   216.7105 ?          ?        677.1050 16.00273 ?        ?        ?         ?        
1 1 1 2  21 14 o 198.6646 5.853963 395.4115   23.25950 395.4115   23.25950 ?          ?        198.6646 5.853963 ?        ?        ?         ?        
1 1 1 2  21 15 o 73.94950 8.822247 55.02858   13.04801 55.02858   13.04801 ?          ?        73.94950 8.822247 ?        ?        ?         ?        
1 1 1 2  21 16 o 342.9087 9.512748 1189.071   65.24007 1189.071   65.24007 ?          ?        342.9087 9.512748 ?        ?        ?         ?        
1 1 1 2  21 17 o 116.2549 8.295726 136.7205   19.28837 136.7205   19.28837 ?          ?        116.2549 8.295726 ?        ?        ?         ?        
1 1 1 2  21 18 o 63.92065 13.70854 44.24979   17.01915 44.24979   17.01915 ?          ?        63.92065 13.70854 ?        ?        ?         ?        
1 1 1 2  21 19 o 191.1944 7.714624 372.7193   29.49986 372.7193   29.49986 ?          ?        191.1944 7.714624 ?        ?        ?         ?        
1 1 1 2  22 0  o 78.97463 6.180295 63.53815   9.644185 63.53815   9.644185 63.53815   9.644185 78.97463 6.180295 78.97463 6.180295 -0.000000 0.000000 
1 1 1 2  22 1  o 680.4166 10.08851 4641.689   137.2878 4641.689   137.2878 ?          ?        680.4166 10.08851 ?        ?        ?         ?        
1 1 1 2  22 2  o 235.4875 4.215866 554.8243   19.85567 554.8243   19.85567 ?          ?        235.4875 4.215866 ?        ?        ?         ?        
1 1 1 2  22 3  o 364.1514 5.764165 1327.494   41.98057 1327.494   41.98057 ?          ?        364.1514 5.764165 ?        ?        ?         ?        
1 1 1 2  22 4  o 230.9821 4.175296 533.8340   19.28837 533.8340   19.28837 ?          ?        230.9821 4.175296 ?        ?        ?         ?        
1 1 1 2  22 5  o 570.7068 8.598438 3264.840   98.14376 3264.840   98.14376 ?          ?        570.7068 8.598438 ?        ?        ?         ?        
1 1 1 2  22 6  o 92.52425 3.985422 85.66305   7.374964 85.66305   7.374964 ?          ?        92.52425 3.985422 ?        ?        ?         ?        
1 1 1 2  22 7  o 553.6755 11.27078 3076.495   124.8071 3076.495   124.8071 ?          ?        553.6755 11.27078 ?        ?        ?         ?        
1 1 1 2  22 8  o 296.3196 6.509312 878.7554   38.57674 878.7554   38.57674 ?          ?        296.3196 6.509312 ?        ?        ?         ?        
1 1 1 2  22 9  o 216.1483 5.249221 467.4593   22.69220 467.4593   22.69220 ?          ?        216.1483 5.249221 ?        ?        ?         ?        
1 1 1 2  22 10 o 248.5826 5.705396 618.3624   28.36525 618.3624   28.36525 ?          ?        248.5826 5.705396 ?        ?        ?         ?        
1 1 1 2  22 11 o 548.1389 12.10910 3017.495   132.7494 3017.495   132.7494 ?          ?        548.1389 12.10910 ?        ?        ?         ?        
1 1 1 2  22 12 f 101.5452 6.145398 103.2495   12.48071 103.2495   12.48071 ?          ?        101.5452 6.145398 ?        ?        ?         ?        
1 1 1 2  22 13 o 541.9789 14.02617 2960.197   152.0377 2960.197   152.0377 ?          ?        541.9789 14.02617 ?        ?        ?         ?        
1 1 1 2  22 14 o 78.53423 6.862482 61.83624   10.77879 61.83624   10.77879 ?          ?        78.53423 6.862482 ?        ?        ?         ?        
1 1 1 2  22 15 o 327.8603 8.478596 1081.851   55.59589 1081.851   55.59589 ?          ?        327.8603 8.478596 ?        ?        ?         ?        
1 1 1 2  22 16 o 80.77128 8.077137 65.80738   13.04801 65.80738   13.04801 ?          ?        80.77128 8.077137 ?        ?        ?         ?        
1 1 1 2  22 17 o 286.8282 8.603674 833.3709   49.35553 833.3709   49.35553 ?          ?        286.8282 8.603674 ?        ?        ?         ?        
1 1 1 2  22 18 o 62.64781 18.84801 43.68248   25.52872 43.68248   25.52872 ?          ?        62.64781 18.84801 ?        ?        ?         ?        
1 1 1 2  22 19 o 286.9041 9.787798 850.3901   56.16319 850.3901   56.16319 ?          ?        286.9041 9.787798 ?        ?        ?         ?        
1 1 1 2  23 0  o 298.2968 6.854574 891.8034   40.84595 891.8034   40.84595 891.8034   40.84595 298.2968 6.854574 298.2968 6.854574 -0.000000 0.000000 
1 1 1 2  23 1  o 482.2530 7.352273 2329.354   70.91312 2329.354   70.91312 ?          ?        482.2530 7.352273 ?        ?        ?         ?        
1 1 1 2  23 2  o 245.3826 4.277052 602.4778   20.99029 602.4778   20.99029 ?          ?        245.3826 4.277052 ?        ?        ?         ?        
1 1 1 2  23 3  o 209.7669 3.786236 440.2286   15.88454 440.2286   15.88454 ?          ?        209.7669 3.786236 ?        ?        ?         ?        
1 1 1 2  23 4  o 118.1056 3.842698 139.5570   9.076880 139.5570   9.076880 ?          ?        118.1056 3.842698 ?        ?        ?         ?        
1 1 1 2  23 5  o 1047.311 15.38365 11054.50   322.2292 11054.50   322.2292 ?          ?        1047.311 15.38365 ?        ?        ?         ?        
1 1 1 2  23 6  f 111.1741 3.827139 123.6725   8.509575 123.6725   8.509575 ?          ?        111.1741 3.827139 ?        ?        ?         ?        
1 1 1 2  23 7  o 315.3257 6.746656 995.6202   42.54787 995.6202   42.54787 ?          ?        315.3257 6.746656 ?        ?        ?         ?        
1 1 1 2  23 8  o 158.3150 5.016750 250.7488   15.88454 250.7488   15.88454 ?          ?        158.3150 5.016750 ?        ?        ?         ?        
1 1 1 2  23 9  o 604.2976 14.12870 3667.626   170.7588 3667.626   170.7588 ?          ?        604.2976 14.12870 ?        ?        ?         ?        
1 1 1 2  23 10 o 171.7030 5.121185 294.9986   17.58645 294.9986   17.58645 ?          ?        171.7030 5.121185 ?        ?        ?         ?        
1 1 1 2  23 11 o 446.3746 10.04024 1998.615   89.63419 1998.615   89.63419 ?          ?        446.3746 10.04024 ?        ?        ?         ?        
1 1 1 2  23 12 o 141.0341 5.430331 199.1240   15.31723 199.1240   15.31723 ?          ?        141.0341 5.430331 ?        ?        ?         ?        
1 1 1 2  23 13 o 279.7885 7.198053 784.5828   40.27865 784.5828   40.27865 ?          ?        279.7885 7.198053 ?        ?        ?         ?        
1 1 1 2  23 14 o 162.9481 5.918563 266.0660   19.28837 266.0660   19.28837 ?          ?        162.9481 5.918563 ?        ?        ?         ?        
1 1 1 2  23 15 o 387.4844 9.077246 1512.435   70.34581 1512.435   70.34581 ?          ?        387.4844 9.077246 ?        ?        ?         ?        
1 1 1 2  23 16 o 115.0971 6.654048 133.3167   15.31723 133.3167   15.31723 ?          ?        115.0971 6.654048 ?        ?        ?         ?        
1 1 1 2  23 17 o 128.4686 7.507040 166.7877   19.28837 166.7877   19.28837 ?          ?        128.4686 7.507040 ?        ?        ?         ?        
1 1 1 2  23 18 o 27.67328 13.01751 -18.72106  18.72106 -18.72106  18.72106 ?          ?        27.67328 13.01751 ?        ?        ?         ?        
1 1 1 2  23 19 o 84.61279 10.39231 74.31695   17.58645 74.31695   17.58645 ?          ?        84.61279 10.39231 ?        ?        ?         ?        
1 1 1 2  24 0  o 86.48035 6.298777 76.01886   10.77879 76.01886   10.77879 76.01886   10.77879 86.48035 6.298777 86.48035 6.298777 -0.000000 0.000000 
1 1 1 2  24 1  o 290.9187 4.875116 846.9863   28.36525 846.9863   28.36525 ?          ?        290.9187 4.875116 ?        ?        ?         ?        
1 1 1 2  24 2  o 105.1536 3.776509 110.6245   7.942269 110.6245   7.942269 ?          ?        105.1536 3.776509 ?        ?        ?         ?        
1 1 1 2  24 3  o 399.6527 6.174802 1599.233   49.35553 1599.233   49.35553 ?          ?        399.6527 6.174802 ?        ?        ?         ?        
1 1 1 2  24 4  o 193.3075 3.815147 373.8540   14.74993 373.8540   14.74993 ?          ?        193.3075 3.815147 ?        ?        ?         ?        
1 1 1 2  24 5  o 49.91964 6.818619 24.96142   6.807660 24.96142   6.807660 ?          ?        49.91964 6.818619 ?        ?        ?         ?        
1 1 1 2  24 6  o 154.8716 3.846220 239.9700   11.91340 239.9700   11.91340 ?          ?        154.8716 3.846220 ?        ?        ?         ?        
1 1 1 2  24 7  o 140.8679 4.832654 198.5567   13.61532 198.5567   13.61532 ?          ?        140.8679 4.832654 ?        ?        ?         ?        
1 1 1 2  24 8  o 192.5668 5.597430 371.0175   21.55759 371.0175   21.55759 ?          ?        192.5668 5.597430 ?        ?        ?         ?        
1 1 1 2  24 9  o 745.8409 16.08721 5594.194   239.9700 5594.194   239.9700 ?          ?        745.8409 16.08721 ?        ?        ?         ?        
1 1 1 2  24 10 o 247.9774 6.291254 615.5258   31.20177 615.5258   31.20177 ?          ?        247.9774 6.291254 ?        ?        ?         ?        
1 1 1 2  24 11 o 420.1416 9.519409 1769.991   79.99000 1769.991   79.99000 ?          ?        420.1416 9.519409 ?        ?        ?         ?        
1 1 1 2  24 12 o 155.7344 5.464159 242.8065   17.01915 242.8065   17.01915 ?          ?        155.7344 5.464159 ?        ?        ?         ?        
1 1 1 2  24 13 o 609.9587 14.50911 3757.261   176.9992 3757.261   176.9992 ?          ?        609.9587 14.50911 ?        ?        ?         ?        
1 1 1 2  24 14 f 126.6881 7.612541 161.1146   19.28837 161.1146   19.28837 ?          ?        126.6881 7.612541 ?        ?        ?         ?        
1 1 1 2  24 15 f 181.8883 5.926052 331.8734   21.55759 331.8734   21.55759 ?          ?        181.8883 5.926052 ?        ?        ?         ?        
1 1 1 2  24 16 o 180.0593 6.458846 326.2003   23.25950 326.2003   23.25950 ?          ?        180.0593 6.458846 ?        ?        ?         ?        
1 1 1 2  24 17 o 83.86353 10.82339 72.04772   18.15376 72.04772   18.15376 ?          ?        83.86353 10.82339 ?        ?        ?         ?        
1 1 1 2  24 18 o 55.27872 14.27316 33.47099   15.88454 33.47099   15.88454 ?          ?        55.27872 14.27316 ?        ?        ?         ?        
1 1 1 2  24 19 o 86.08808 10.87320 77.15348   18.72106 77.15348   18.72106 ?          ?        86.08808 10.87320 ?        ?        ?         ?        
1 1 1 2  25 0  o 363.7844 8.274624 1326.926   60.13433 1326.926   60.13433 1326.926   60.13433 363.7844 8.274624 363.7844 8.274624 -0.000000 0.000000 
1 1 1 2  25 1  o 449.2405 6.882308 2021.307   61.83624 2021.307   61.83624 ?          ?        449.2405 6.882308 ?        ?        ?         ?        
1 1 1 2  25 2  o 207.5919 3.825906 431.1518   15.88454 431.1518   15.88454 ?          ?        207.5919 3.825906 ?        ?        ?         ?        
1 1 1 2  25 3  o 617.0919 9.882690 3820.232   121.9706 3820.232   121.9706 ?          ?        617.0919 9.882690 ?        ?        ?         ?        
1 1 1 2  25 4  o 150.9841 3.569514 228.0566   10.77879 228.0566   10.77879 ?          ?        150.9841 3.569514 ?        ?        ?         ?        
1 1 1 2  25 5  o 429.3146 6.739242 1846.578   57.86510 1846.578   57.86510 ?          ?        429.3146 6.739242 ?        ?        ?         ?        
1 1 1 2  25 6  o 131.5154 3.666562 173.0280   9.644185 173.0280   9.644185 ?          ?        131.5154 3.666562 ?        ?        ?         ?        
1 1 1 2  25 7  o 357.4844 10.63247 1280.975   76.01886 1280.975   76.01886 ?          ?        357.4844 10.63247 ?        ?        ?         ?        
1 1 1 2  25 8  o 198.3782 5.004499 393.7097   19.85567 393.7097   19.85567 ?          ?        198.3782 5.004499 ?        ?        ?         ?        
1 1 1 2  25 9  o 946.3846 20.20128 9030.360   382.3636 9030.360   382.3636 ?          ?        946.3846 20.20128 ?        ?        ?         ?        
1 1 1 2  25 10 o 233.8682 6.064366 547.4493   28.36525 547.4493   28.36525 ?          ?        233.8682 6.064366 ?        ?        ?         ?        
1 1 1 2  25 11 o 219.0942 5.825968 480.5073   25.52872 480.5073   25.52872 ?          ?        219.0942 5.825968 ?        ?        ?         ?        
1 1 1 2  25 12 o 162.8363 5.922627 265.4987   19.28837 265.4987   19.28837 ?          ?        162.8363 5.922627 ?        ?        ?         ?        
1 1 1 2  25 13 o 183.3607 7.116038 336.9791   26.09603 336.9791   26.09603 ?          ?        183.3607 7.116038 ?        ?        ?         ?        
1 1 1 2  25 14 o 142.3453 5.778850 203.0952   16.45185 203.0952   16.45185 ?          ?        142.3453 5.778850 ?        ?        ?         ?        
1 1 1 2  25 15 o 85.32950 6.980824 73.18234   11.91340 73.18234   11.91340 ?          ?        85.32950 6.980824 ?        ?        ?         ?        
1 1 1 2  25 16 o 150.2780 5.662556 226.9220   17.01915 226.9220   17.01915 ?          ?        150.2780 5.662556 ?        ?        ?         ?        
1 1 1 2  25 17 o 212.3601 7.480002 456.6805   31.76908 456.6805   31.76908 ?          ?        212.3601 7.480002 ?        ?        ?         ?        
1 1 1 2  25 18 o 109.0032 8.847614 121.4033   19.28837 121.4033   19.28837 ?          ?        109.0032 8.847614 ?        ?        ?         ?        
1 1 1 2  26 0  o 247.8795 6.417699 616.0932   31.76908 616.0932   31.76908 616.0932   31.76908 247.8795 6.417699 247.8795 6.417699 -0.000000 0.000000 
1 1 1 2  26 1  o 641.1451 9.600415 4123.172   123.1052 4123.172   123.1052 ?          ?        641.1451 9.600415 ?        ?        ?         ?        
1 1 1 2  26 2  o 174.8213 3.894068 305.7773   13.61532 305.7773   13.61532 ?          ?        174.8213 3.894068 ?        ?        ?         ?        
1 1 1 2  26 3  o 861.2314 12.64731 7455.521   217.8451 7455.521   217.8451 ?          ?        861.2314 12.64731 ?        ?        ?         ?        
1 1 1 2  26 4  o 262.8686 4.747890 691.5447   24.96142 691.5447   24.96142 ?          ?        262.8686 4.747890 ?        ?        ?         ?        
1 1 1 2  26 5  o 385.7558 6.103124 1490.310   47.08631 1490.310   47.08631 ?          ?        385.7558 6.103124 ?        ?        ?         ?        
1 1 1 2  26 6  o 110.4061 4.624514 121.9706   10.21149 121.9706   10.21149 ?          ?        110.4061 4.624514 ?        ?        ?         ?        
1 1 1 2  26 7  o 190.4883 5.658507 363.0752   21.55759 363.0752   21.55759 ?          ?        190.4883 5.658507 ?        ?        ?         ?        
1 1 1 2  26 8  o 186.5923 4.864551 348.3253   18.15376 348.3253   18.15376 ?          ?        186.5923 4.864551 ?        ?        ?         ?        
1 1 1 2  26 9  o 381.6595 8.100968 1458.541   61.83624 1458.541   61.83624 ?          ?        381.6595 8.100968 ?        ?        ?         ?        
1 1 1 2  26 10 o 165.4751 5.142512 274.0083   17.01915 274.0083   17.01915 ?          ?        165.4751 5.142512 ?        ?        ?         ?        
1 1 1 2  26 11 o 605.3492 13.44815 3684.646   162.8165 3684.646   162.8165 ?          ?        605.3492 13.44815 ?        ?        ?         ?        
1 1 1 2  26 12 o 188.1641 6.331391 354.5656   23.82681 354.5656   23.82681 ?          ?        188.1641 6.331391 ?        ?        ?         ?        
1 1 1 2  26 13 o 87.09023 7.165390 76.01886   12.48071 76.01886   12.48071 ?          ?        87.09023 7.165390 ?        ?        ?         ?        
1 1 1 2  26 14 o 64.72008 12.27819 43.68248   15.31723 43.68248   15.31723 ?          ?        64.72008 12.27819 ?        ?        ?         ?        
1 1 1 2  26 15 o 244.9280 7.643497 604.1797   37.44213 604.1797   37.44213 ?          ?        244.9280 7.643497 ?        ?        ?         ?        
1 1 1 2  26 16 o 109.8192 6.457263 121.4033   14.18262 121.4033   14.18262 ?          ?        109.8192 6.457263 ?        ?        ?         ?        
1 1 1 2  26 17 o 220.5407 7.073926 491.8534   31.20177 491.8534   31.20177 ?          ?        220.5407 7.073926 ?        ?        ?         ?        
1 1 1 2  26 18 o 120.4111 8.480523 148.0666   20.42298 148.0666   20.42298 ?          ?        120.4111 8.480523 ?        ?        ?         ?        
1 1 1 2  27 0  o 49.78786 13.21984 29.49986   11.34610 29.49986   11.34610 29.49986   11.34610 49.78786 13.21984 49.78786 13.21984 -0.000000 0.000000 
1 1 1 2  27 1  o 154.8756 3.662972 239.9700   11.34610 239.9700   11.34610 ?          ?        154.8756 3.662972 ?        ?        ?         ?        
1 1 1 2  27 2  o 203.3129 3.906427 413.5653   15.88454 413.5653   15.88454 ?          ?        203.3129 3.906427 ?        ?        ?         ?        
1 1 1 2  27 3  o 308.2201 5.061606 950.8031   31.20177 950.8031   31.20177 ?          ?        308.2201 5.061606 ?        ?        ?         ?        
1 1 1 2  27 4  o 304.6731 5.120534 929.2455   31.20177 929.2455   31.20177 ?          ?        304.6731 5.120534 ?        ?        ?         ?        
1 1 1 2  27 5  o 481.4906 10.36839 2325.950   99.84568 2325.950   99.84568 ?          ?        481.4906 10.36839 ?        ?        ?         ?        
1 1 1 2  27 6  o 264.2530 5.796428 698.9197   30.63447 698.9197   30.63447 ?          ?        264.2530 5.796428 ?        ?        ?         ?        
1 1 1 2  27 7  o 427.0073 9.366350 1826.155   79.99000 1826.155   79.99000 ?          ?        427.0073 9.366350 ?        ?        ?         ?        
1 1 1 2  27 8  o 236.4278 5.638790 559.3627   26.66333 559.3627   26.66333 ?          ?        236.4278 5.638790 ?        ?        ?         ?        
1 1 1 2  27 9  o 776.7167 16.98153 6070.730   263.7968 6070.730   263.7968 ?          ?        776.7167 16.98153 ?        ?        ?         ?        
1 1 1 2  27 10 o 248.4098 6.394490 617.7951   31.76908 617.7951   31.76908 ?          ?        248.4098 6.394490 ?        ?        ?         ?        
1 1 1 2  27 11 o 87.12877 6.511109 76.01886   11.34610 76.01886   11.34610 ?          ?        87.12877 6.511109 ?        ?        ?         ?        
1 1 1 2  27 12 o 282.8883 8.121881 802.1692   45.95170 802.1692   45.95170 ?          ?        282.8883 8.121881 ?        ?        ?         ?        
1 1 1 2  27 13 o 308.3729 7.542656 953.6396   46.51900 953.6396   46.51900 ?          ?        308.3729 7.542656 ?        ?        ?         ?        
1 1 1 2  27 14 o 181.0046 6.111693 328.4696   22.12490 328.4696   22.12490 ?          ?        181.0046 6.111693 ?        ?        ?         ?        
1 1 1 2  27 15 f 51.20723 13.21085 27.79794   13.61532 27.79794   13.61532 ?          ?        51.20723 13.21085 ?        ?        ?         ?        
1 1 1 2  27 16 o 81.07538 7.696979 66.37468   12.48071 66.37468   12.48071 ?          ?        81.07538 7.696979 ?        ?        ?         ?        
1 1 1 2  27 17 o 454.6358 10.48171 2120.019   95.30723 2120.019   95.30723 ?          ?        454.6358 10.48171 ?        ?        ?         ?        
1 1 1 2  27 18 o 127.2057 8.696506 165.6530   22.12490 165.6530   22.12490 ?          ?        127.2057 8.696506 ?        ?        ?         ?        
1 1 1 2  28 0  o 112.4539 6.091367 127.6436   13.61532 127.6436   13.61532 127.6436   13.61532 112.4539 6.091367 112.4539 6.091367 -0.000000 0.000000 
1 1 1 2  28 1  o 580.0829 8.703953 3373.195   100.9803 3373.195   100.9803 ?          ?        580.0829 8.703953 ?        ?        ?         ?        
1 1 1 2  28 2  o 183.3702 3.867211 336.4118   14.18262 336.4118   14.18262 ?          ?        183.3702 3.867211 ?        ?        ?         ?        
1 1 1 2  28 3  o 150.2227 3.776428 225.7874   11.34610 225.7874   11.34610 ?          ?        150.2227 3.776428 ?        ?        ?         ?        
1 1 1 2  28 4  o 118.0891 4.323636 139.5570   10.21149 139.5570   10.21149 ?          ?        118.0891 4.323636 ?        ?        ?         ?        
1 1 1 2  28 5  o 519.1138 12.18509 2706.045   126.5090 2706.045   126.5090 ?          ?        519.1138 12.18509 ?        ?        ?         ?        
1 1 1 2  28 6  o 248.4729 5.593758 617.7951   27.79794 617.7951   27.79794 ?          ?        248.4729 5.593758 ?        ?        ?         ?        
1 1 1 2  28 7  o 377.4579 9.168070 1426.772   69.21120 1426.772   69.21120 ?          ?        377.4579 9.168070 ?        ?        ?         ?        
1 1 1 2  28 8  o 373.6521 8.578228 1398.407   64.10546 1398.407   64.10546 ?          ?        373.6521 8.578228 ?        ?        ?         ?        
1 1 1 2  28 9  o 493.5110 12.81724 2445.084   126.5090 2445.084   126.5090 ?          ?        493.5110 12.81724 ?        ?        ?         ?        
1 1 1 2  28 10 o 431.3932 9.797145 1866.433   84.52843 1866.433   84.52843 ?          ?        431.3932 9.797145 ?        ?        ?         ?        
1 1 1 2  28 11 o 290.3915 6.935232 844.7171   40.27865 844.7171   40.27865 ?          ?        290.3915 6.935232 ?        ?        ?         ?        
1 1 1 2  28 12 o 259.6967 6.881146 675.6602   35.74022 675.6602   35.74022 ?          ?        259.6967 6.881146 ?        ?        ?         ?        
1 1 1 2  28 13 o 531.0513 11.96460 2842.198   127.0763 2842.198   127.0763 ?          ?        531.0513 11.96460 ?        ?        ?         ?        
1 1 1 2  28 14 o 91.12558 7.470636 83.39383   13.61532 83.39383   13.61532 ?          ?        91.12558 7.470636 ?        ?        ?         ?        
1 1 1 2  28 15 o 247.2706 6.882804 614.9586   34.03830 614.9586   34.03830 ?          ?        247.2706 6.882804 ?        ?        ?         ?        
1 1 1 2  28 16 o 117.1760 7.020143 138.4224   16.45185 138.4224   16.45185 ?          ?        117.1760 7.020143 ?        ?        ?         ?        
1 1 1 2  28 17 o 85.93957 7.261329 74.88425   12.48071 74.88425   12.48071 ?          ?        85.93957 7.261329 ?        ?        ?         ?        
1 1 1 2  28 18 o 146.1362 6.793551 216.7105   19.85567 216.7105   19.85567 ?          ?        146.1362 6.793551 ?        ?        ?         ?        
1 1 1 2  29 0  o 108.6141 6.045897 119.1340   13.04801 119.1340   13.04801 119.1340   13.04801 108.6141 6.045897 108.6141 6.045897 -0.000000 0.000000 
1 1 1 2  29 1  o 265.0262 4.602208 702.8909   24.39412 702.8909   24.39412 ?          ?        265.0262 4.602208 ?        ?        ?         ?        
1 1 1 2  29 2  o 99.60086 4.556627 99.27837   9.076880 99.27837   9.076880 ?          ?        99.60086 4.556627 ?        ?        ?         ?        
1 1 1 2  29 3  o 551.0876 8.286895 3045.860   91.33610 3045.860   91.33610 ?          ?        551.0876 8.286895 ?        ?        ?         ?        
1 1 1 2  29 4  o 250.2957 4.533079 626.8720   22.69220 626.8720   22.69220 ?          ?        250.2957 4.533079 ?        ?        ?         ?        
1 1 1 2  29 5  o 263.9261 5.696134 697.2178   30.06716 697.2178   30.06716 ?          ?        263.9261 5.696134 ?        ?        ?         ?        
1 1 1 2  29 6  o 233.1739 5.839127 544.0455   27.23064 544.0455   27.23064 ?          ?        233.1739 5.839127 ?        ?        ?         ?        
1 1 1 2  29 7  o 707.7450 20.60027 5047.879   291.5948 5047.879   291.5948 ?          ?        707.7450 20.60027 ?        ?        ?         ?        
1 1 1 2  29 8  o 182.1285 4.983777 331.8734   18.15376 331.8734   18.15376 ?          ?        182.1285 4.983777 ?        ?        ?         ?        
1 1 1 2  29 9  o 231.7979 6.118530 537.8051   28.36525 537.8051   28.36525 ?          ?        231.7979 6.118530 ?        ?        ?         ?        
1 1 1 2  29 10 o 261.9369 6.605714 687.0063   34.60560 687.0063   34.60560 ?          ?        261.9369 6.605714 ?        ?        ?         ?        
1 1 1 2  29 11 o 200.4262 5.802511 402.2192   23.25950 402.2192   23.25950 ?          ?        200.4262 5.802511 ?        ?        ?         ?        
1 1 1 2  29 12 o 253.2846 6.607388 642.7565   33.47099 642.7565   33.47099 ?          ?        253.2846 6.607388 ?        ?        ?         ?        
1 1 1 2  29 13 o 394.5453 9.202370 1564.060   72.61504 1564.060   72.61504 ?          ?        394.5453 9.202370 ?        ?        ?         ?        
1 1 1 2  29 14 o 179.8346 6.151458 324.4984   22.12490 324.4984   22.12490 ?          ?        179.8346 6.151458 ?        ?        ?         ?        
1 1 1 2  29 15 o 647.6369 17.08125 4349.527   221.2489 4349.527   221.2489 ?          ?        647.6369 17.08125 ?        ?        ?         ?        
1 1 1 2  29 16 o 150.6754 7.530161 229.1912   22.69220 229.1912   22.69220 ?          ?        150.6754 7.530161 ?        ?        ?         ?        
1 1 1 2  29 17 o 56.98446 13.19203 35.17290   14.74993 35.17290   14.74993 ?          ?        56.98446 13.19203 ?        ?        ?         ?        
1 1 1 2  29 18 o 158.4901 7.158871 255.2872   22.69220 255.2872   22.69220 ?          ?        158.4901 7.158871 ?        ?        ?         ?        
1 1 1 2  30 0  o 59.35955 11.82348 39.14404   12.48071 39.14404   12.48071 39.14404   12.48071 59.35955 11.82348 59.35955 11.82348 -0.000000 0.000000 
1 1 1 2  30 1  o 243.3890 4.428628 592.8337   21.55759 592.8337   21.55759 ?          ?        243.3890 4.428628 ?        ?        ?         ?        
1 1 1 2  30 2  o 328.6157 5.524312 1081.283   36.30752 1081.283   36.30752 ?          ?        328.6157 5.524312 ?        ?        ?         ?        
1 1 1 2  30 3  o 573.4040 8.656930 3296.609   99.27837 3296.609   99.27837 ?          ?        573.4040 8.656930 ?        ?        ?         ?        
1 1 1 2  30 4  o 202.5918 5.040427 410.7288   20.42298 410.7288   20.42298 ?          ?        202.5918 5.040427 ?        ?        ?         ?        
1 1 1 2  30 5  o 475.2669 9.608928 2263.547   91.33610 2263.547   91.33610 ?          ?        475.2669 9.608928 ?        ?        ?         ?        
1 1 1 2  30 6  o 204.8425 5.261992 419.8057   21.55759 419.8057   21.55759 ?          ?        204.8425 5.261992 ?        ?        ?         ?        
1 1 1 2  30 7  o 794.2517 20.32080 6362.893   322.7965 6362.893   322.7965 ?          ?        794.2517 20.32080 ?        ?        ?         ?        
1 1 1 2  30 8  o 281.1982 6.455858 791.3904   36.30752 791.3904   36.30752 ?          ?        281.1982 6.455858 ?        ?        ?         ?        
1 1 1 2  30 9  o 779.4197 18.34196 6127.460   285.9217 6127.460   285.9217 ?          ?        779.4197 18.34196 ?        ?        ?         ?        
1 1 1 2  30 10 o 123.2428 5.753938 152.0377   14.18262 152.0377   14.18262 ?          ?        123.2428 5.753938 ?        ?        ?         ?        
1 1 1 2  30 11 o 142.2179 5.983475 202.5279   17.01915 202.5279   17.01915 ?          ?        142.2179 5.983475 ?        ?        ?         ?        
1 1 1 2  30 12 o 263.1189 6.791647 693.8140   35.74022 693.8140   35.74022 ?          ?        263.1189 6.791647 ?        ?        ?         ?        
1 1 1 2  30 13 o 55.98713 12.48160 32.90369   13.61532 32.90369   13.61532 ?          ?        55.98713 12.48160 ?        ?        ?         ?        
1 1 1 2  30 14 o 68.32112 9.964210 47.08631   13.61532 47.08631   13.61532 ?          ?        68.32112 9.964210 ?        ?        ?         ?        
1 1 1 2  30 15 o 377.8479 8.933394 1443.791   67.50929 1443.791   67.50929 ?          ?        377.8479 8.933394 ?        ?        ?         ?        
1 1 1 2  30 16 o 104.5268 8.412417 110.6245   17.58645 110.6245   17.58645 ?          ?        104.5268 8.412417 ?        ?        ?         ?        
1 1 1 2  30 17 o 258.1317 7.032750 674.5256   36.30752 674.5256   36.30752 ?          ?        258.1317 7.032750 ?        ?        ?         ?        
1 1 1 2  30 18 o 59.66165 10.86137 38.00943   12.48071 38.00943   12.48071 ?          ?        59.66165 10.86137 ?        ?        ?         ?        
1 1 1 2  31 0  o 279.6169 6.805646 784.0154   38.00943 784.0154   38.00943 784.0154   38.00943 279.6169 6.805646 279.6169 6.805646 -0.000000 0.000000 
1 1 1 2  31 1  o 303.7412 5.042857 923.5726   30.63447 923.5726   30.63447 ?          ?        303.7412 5.042857 ?        ?        ?         ?        
1 1 1 2  31 2  o 233.4117 4.374883 545.1801   20.42298 545.1801   20.42298 ?          ?        233.4117 4.374883 ?        ?        ?         ?        
1 1 1 2  31 3  o 756.4987 11.92355 5745.665   180.4030 5745.665   180.4030 ?          ?        756.4987 11.92355 ?        ?        ?         ?        
1 1 1 2  31 4  o 165.9956 4.613747 275.7102   15.31723 275.7102   15.31723 ?          ?        165.9956 4.613747 ?        ?        ?         ?        
1 1 1 2  31 5  o 345.9941 8.362153 1198.715   57.86510 1198.715   57.86510 ?          ?        345.9941 8.362153 ?        ?        ?         ?        
1 1 1 2  31 6  o 360.5757 9.046654 1301.965   65.24007 1301.965   65.24007 ?          ?        360.5757 9.046654 ?        ?        ?         ?        
1 1 1 2  31 7  o 102.0956 8.057079 104.3841   16.45185 104.3841   16.45185 ?          ?        102.0956 8.057079 ?        ?        ?         ?        
1 1 1 2  31 8  o 357.3933 8.254171 1279.273   58.99971 1279.273   58.99971 ?          ?        357.3933 8.254171 ?        ?        ?         ?        
1 1 1 2  31 9  o 599.0513 15.34149 3612.598   183.8068 3612.598   183.8068 ?          ?        599.0513 15.34149 ?        ?        ?         ?        
1 1 1 2  31 10 o 158.8158 5.358142 252.4507   17.01915 252.4507   17.01915 ?          ?        158.8158 5.358142 ?        ?        ?         ?        
1 1 1 2  31 11 o 711.9894 15.73657 5114.254   224.0854 5114.254   224.0854 ?          ?        711.9894 15.73657 ?        ?        ?         ?        
1 1 1 2  31 12 o 278.2793 7.033230 776.0732   39.14404 776.0732   39.14404 ?          ?        278.2793 7.033230 ?        ?        ?         ?        
1 1 1 2  31 13 f 421.6844 9.686382 1789.847   81.69191 1789.847   81.69191 ?          ?        421.6844 9.686382 ?        ?        ?         ?        
1 1 1 2  31 14 o 93.53522 7.278178 87.93227   13.61532 87.93227   13.61532 ?          ?        93.53522 7.278178 ?        ?        ?         ?        
1 1 1 2  31 15 o 26.16128 11.89375 -7.942269  13.61532 -7.942269  13.61532 ?          ?        26.16128 11.89375 ?        ?        ?         ?        
1 1 1 2  31 16 o 203.9677 6.258032 419.2384   25.52872 419.2384   25.52872 ?          ?        203.9677 6.258032 ?        ?        ?         ?        
1 1 1 2  31 17 o 109.6551 7.242956 121.9706   15.88454 121.9706   15.88454 ?          ?        109.6551 7.242956 ?        ?        ?         ?        
1 1 1 2  31 18 o 51.72271 13.54880 29.49986   14.18262 29.49986   14.18262 ?          ?        51.72271 13.54880 ?        ?        ?         ?        
1 1 1 2  32 0  o 17.99574 12.01261 -2.836525  11.34610 -2.836525  11.34610 -2.836525  11.34610 17.99574 12.01261 17.99574 12.01261 -0.000000 0.000000 
1 1 1 2  32 1  o 529.3786 9.269713 2809.861   98.14376 2809.861   98.14376 ?          ?        529.3786 9.269713 ?        ?        ?         ?        
1 1 1 2  32 2  o 255.0138 4.560440 650.6988   23.25950 650.6988   23.25950 ?          ?        255.0138 4.560440 ?        ?        ?         ?        
1 1 1 2  32 3  o 342.8783 7.776326 1177.725   53.32666 1177.725   53.32666 ?          ?        342.8783 7.776326 ?        ?        ?         ?        
1 1 1 2  32 4  o 466.6731 11.00151 2183.557   102.6822 2183.557   102.6822 ?          ?        466.6731 11.00151 ?        ?        ?         ?        
1 1 1 2  32 5  o 584.7524 14.94051 3432.762   174.7299 3432.762   174.7299 ?          ?        584.7524 14.94051 ?        ?        ?         ?        
1 1 1 2  32 6  o 186.1357 4.876487 346.6233   18.15376 346.6233   18.15376 ?          ?        186.1357 4.876487 ?        ?        ?         ?        
1 1 1 2  32 7  o 319.1411 6.754878 1019.447   43.11518 1019.447   43.11518 ?          ?        319.1411 6.754878 ?        ?        ?         ?        
1 1 1 2  32 8  o 180.3858 5.503667 325.6331   19.85567 325.6331   19.85567 ?          ?        180.3858 5.503667 ?        ?        ?         ?        
1 1 1 2  32 9  o 311.9268 7.456717 974.6299   46.51900 974.6299   46.51900 ?          ?        311.9268 7.456717 ?        ?        ?         ?        
1 1 1 2  32 10 o 157.1818 5.774764 247.3450   18.15376 247.3450   18.15376 ?          ?        157.1818 5.774764 ?        ?        ?         ?        
1 1 1 2  32 11 o 1157.535 29.92045 13836.57   692.6793 13836.57   692.6793 ?          ?        1157.535 29.92045 ?        ?        ?         ?        
1 1 1 2  32 12 o 215.2806 7.246768 464.6228   31.20177 464.6228   31.20177 ?          ?        215.2806 7.246768 ?        ?        ?         ?        
1 1 1 2  32 13 o 73.15893 10.08074 53.89397   14.74993 53.89397   14.74993 ?          ?        73.15893 10.08074 ?        ?        ?         ?        
1 1 1 2  32 14 o 152.7250 6.129009 234.2970   18.72106 234.2970   18.72106 ?          ?        152.7250 6.129009 ?        ?        ?         ?        
1 1 1 2  32 15 o 380.7436 9.014454 1467.618   68.64390 1467.618   68.64390 ?          ?        380.7436 9.014454 ?        ?        ?         ?        
1 1 1 2  32 16 o 90.70073 7.818364 83.39383   14.18262 83.39383   14.18262 ?          ?        90.70073 7.818364 ?        ?        ?         ?        
1 1 1 2  32 17 o 140.2491 8.089964 200.2587   22.69220 200.2587   22.69220 ?          ?        140.2491 8.089964 ?        ?        ?         ?        
1 1 1 2  32 18 o 90.90170 8.113121 84.52843   14.74993 84.52843   14.74993 ?          ?        90.90170 8.113121 ?        ?        ?         ?        
1 1 1 2  33 0  o 612.8339 25.17868 3807.751   307.4793 3807.751   307.4793 3807.751   307.4793 612.8339 25.17868 612.8339 25.17868 -0.000000 0.000000 
1 1 1 2  33 1  o 414.1772 8.492236 1718.934   70.34581 1718.934   70.34581 ?          ?        414.1772 8.492236 ?        ?        ?         ?        
1 1 1 2  33 2  o 364.3445 7.707431 1329.763   56.16319 1329.763   56.16319 ?          ?        364.3445 7.707431 ?        ?        ?         ?        
1 1 1 2  33 3  o 495.7442 11.61515 2465.508   115.1629 2465.508   115.1629 ?          ?        495.7442 11.61515 ?        ?        ?         ?        
1 1 1 2  33 4  o 683.1992 17.39615 4693.881   237.7008 4693.881   237.7008 ?          ?        683.1992 17.39615 ?        ?        ?         ?        
1 1 1 2  33 5  o 254.8671 7.122835 650.1314   36.30752 650.1314   36.30752 ?          ?        254.8671 7.122835 ?        ?        ?         ?        
1 1 1 2  33 6  o 399.9592 11.56002 1604.338   92.47070 1604.338   92.47070 ?          ?        399.9592 11.56002 ?        ?        ?         ?        
1 1 1 2  33 7  o 519.7438 14.84452 2713.420   154.3070 2713.420   154.3070 ?          ?        519.7438 14.84452 ?        ?        ?         ?        
1 1 1 2  33 8  o 287.9081 7.093574 829.9672   40.84595 829.9672   40.84595 ?          ?        287.9081 7.093574 ?        ?        ?         ?        
1 1 1 2  33 9  o 167.1586 5.599791 279.6813   18.72106 279.6813   18.72106 ?          ?        167.1586 5.599791 ?        ?        ?         ?        
1 1 1 2  33 10 o 281.9594 7.042032 796.4961   39.71135 796.4961   39.71135 ?          ?        281.9594 7.042032 ?        ?        ?         ?        
1 1 1 2  33 11 o 382.6243 8.970144 1468.753   68.64390 1468.753   68.64390 ?          ?        382.6243 8.970144 ?        ?        ?         ?        
1 1 1 2  33 12 f 204.2077 6.945195 418.1037   28.36525 418.1037   28.36525 ?          ?        204.2077 6.945195 ?        ?        ?         ?        
1 1 1 2  33 13 o 437.5763 10.17730 1928.837   89.06688 1928.837   89.06688 ?          ?        437.5763 10.17730 ?        ?        ?         ?        
1 1 1 2  33 14 o 103.7928 6.832179 108.3553   14.18262 108.3553   14.18262 ?          ?        103.7928 6.832179 ?        ?        ?         ?        
1 1 1 2  33 15 o 408.9177 9.503229 1696.809   77.72078 1696.809   77.72078 ?          ?        408.9177 9.503229 ?        ?        ?         ?        
1 1 1 2  33 16 o 43.11543 13.57827 19.28837   13.04801 19.28837   13.04801 ?          ?        43.11543 13.57827 ?        ?        ?         ?        
1 1 1 2  33 17 o 218.1188 6.242158 481.0746   27.23064 481.0746   27.23064 ?          ?        218.1188 6.242158 ?        ?        ?         ?        
1 1 1 2  34 0  o 380.5354 11.35241 1454.570   86.23035 1454.570   86.23035 1454.570   86.23035 380.5354 11.35241 380.5354 11.35241 -0.000000 0.000000 
1 1 1 2  34 1  f 446.3184 10.54994 1998.048   94.17262 1998.048   94.17262 ?          ?        446.3184 10.54994 ?        ?        ?         ?        
1 1 1 2  34 2  o 338.3326 8.299997 1146.523   56.16319 1146.523   56.16319 ?          ?        338.3326 8.299997 ?        ?        ?         ?        
1 1 1 2  34 3  o 800.2657 15.95016 6435.508   255.2872 6435.508   255.2872 ?          ?        800.2657 15.95016 ?        ?        ?         ?        
1 1 1 2  34 4  o 865.7684 24.50679 7572.954   424.3441 7572.954   424.3441 ?          ?        865.7684 24.50679 ?        ?        ?         ?        
1 1 1 2  34 5  o 376.8936 11.28909 1423.935   85.09574 1423.935   85.09574 ?          ?        376.8936 11.28909 ?        ?        ?         ?        
1 1 1 2  34 6  o 21.43571 9.945441 -9.076880  10.21149 -9.076880  10.21149 ?          ?        21.43571 9.945441 ?        ?        ?         ?        
1 1 1 2  34 7  o 869.5298 24.04194 7661.454   418.1037 7661.454   418.1037 ?          ?        869.5298 24.04194 ?        ?        ?         ?        
1 1 1 2  34 8  o 176.8707 6.094165 313.1523   21.55759 313.1523   21.55759 ?          ?        176.8707 6.094165 ?        ?        ?         ?        
1 1 1 2  34 9  o 592.7624 14.16438 3534.877   167.9223 3534.877   167.9223 ?          ?        592.7624 14.16438 ?        ?        ?         ?        
1 1 1 2  34 10 o 312.3067 7.629298 977.4666   47.65361 977.4666   47.65361 ?          ?        312.3067 7.629298 ?        ?        ?         ?        
1 1 1 2  34 11 o 480.9647 12.67978 2330.489   121.9706 2330.489   121.9706 ?          ?        480.9647 12.67978 ?        ?        ?         ?        
1 1 1 2  34 12 o 383.6172 9.020867 1478.397   69.21120 1478.397   69.21120 ?          ?        383.6172 9.020867 ?        ?        ?         ?        
1 1 1 2  34 13 o 376.6777 8.885845 1428.474   66.94199 1428.474   66.94199 ?          ?        376.6777 8.885845 ?        ?        ?         ?        
1 1 1 2  34 14 o 128.8039 6.606614 166.7877   17.01915 166.7877   17.01915 ?          ?        128.8039 6.606614 ?        ?        ?         ?        
1 1 1 2  34 15 o 89.88422 8.204960 81.69191   14.74993 81.69191   14.74993 ?          ?        89.88422 8.204960 ?        ?        ?         ?        
1 1 1 2  34 16 o 54.67793 13.11766 32.33638   14.18262 32.33638   14.18262 ?          ?        54.67793 13.11766 ?        ?        ?         ?        
1 1 1 2  34 17 o 55.97589 12.48336 34.03830   13.61532 34.03830   13.61532 ?          ?        55.97589 12.48336 ?        ?        ?         ?        
1 1 1 2  35 0  o 135.3536 7.380915 184.9414   19.85567 184.9414   19.85567 184.9414   19.85567 135.3536 7.380915 135.3536 7.380915 -0.000000 0.000000 
1 1 1 2  35 1  o 393.4207 8.075090 1549.877   63.53815 1549.877   63.53815 ?          ?        393.4207 8.075090 ?        ?        ?         ?        
1 1 1 2  35 2  o 769.1566 16.48464 5946.490   253.5853 5946.490   253.5853 ?          ?        769.1566 16.48464 ?        ?        ?         ?        
1 1 1 2  35 3  o 336.0986 8.945935 1131.206   60.13433 1131.206   60.13433 ?          ?        336.0986 8.945935 ?        ?        ?         ?        
1 1 1 2  35 4  o 677.8885 19.33171 4625.237   262.0949 4625.237   262.0949 ?          ?        677.8885 19.33171 ?        ?        ?         ?        
1 1 1 2  35 5  o 694.7365 19.84279 4868.043   275.7102 4868.043   275.7102 ?          ?        694.7365 19.84279 ?        ?        ?         ?        
1 1 1 2  35 6  o 499.5852 14.59184 2506.353   145.7974 2506.353   145.7974 ?          ?        499.5852 14.59184 ?        ?        ?         ?        
1 1 1 2  35 7  o 702.9459 22.11288 5001.361   310.8831 5001.361   310.8831 ?          ?        702.9459 22.11288 ?        ?        ?         ?        
1 1 1 2  35 8  o 184.2550 5.542042 339.8157   20.42298 339.8157   20.42298 ?          ?        184.2550 5.542042 ?        ?        ?         ?        
1 1 1 2  35 9  o 663.4247 16.97405 4442.565   225.2201 4442.565   225.2201 ?          ?        663.4247 16.97405 ?        ?        ?         ?        
1 1 1 2  35 10 o 74.05984 9.575111 55.02858   14.18262 55.02858   14.18262 ?          ?        74.05984 9.575111 ?        ?        ?         ?        
1 1 1 2  35 11 o 226.4958 6.512229 513.9783   29.49986 513.9783   29.49986 ?          ?        226.4958 6.512229 ?        ?        ?         ?        
1 1 1 2  35 12 o 261.1448 6.951606 684.1698   36.30752 684.1698   36.30752 ?          ?        261.1448 6.951606 ?        ?        ?         ?        
1 1 1 2  35 13 o 125.3599 6.335575 157.7108   15.88454 157.7108   15.88454 ?          ?        125.3599 6.335575 ?        ?        ?         ?        
1 1 1 2  35 14 o 136.6329 6.643260 187.7779   18.15376 187.7779   18.15376 ?          ?        136.6329 6.643260 ?        ?        ?         ?        
1 1 1 2  35 15 o 308.6013 8.272397 963.2838   51.05745 963.2838   51.05745 ?          ?        308.6013 8.272397 ?        ?        ?         ?        
1 1 1 2  35 16 o 39.86697 13.88686 15.31723   13.61532 15.31723   13.61532 ?          ?        39.86697 13.88686 ?        ?        ?         ?        
1 1 1 2  35 17 o 149.7790 6.628324 227.4893   19.85567 227.4893   19.85567 ?          ?        149.7790 6.628324 ?        ?        ?         ?        
1 1 1 2  36 0  o 935.1916 26.52605 8823.295   495.2573 8823.295   495.2573 8823.295   495.2573 935.1916 26.52605 935.1916 26.52605 -0.000000 0.000000 
1 1 1 2  36 1  f 438.7400 8.921924 1927.702   78.28809 1927.702   78.28809 ?          ?        438.7400 8.921924 ?        ?        ?         ?        
1 1 1 2  36 2  o 958.3169 19.03218 9241.397   364.7771 9241.397   364.7771 ?          ?        958.3169 19.03218 ?        ?        ?         ?        
1 1 1 2  36 3  o 142.8765 5.161776 204.2298   14.74993 204.2298   14.74993 ?          ?        142.8765 5.161776 ?        ?        ?         ?        
1 1 1 2  36 4  o 526.1613 15.20256 2781.496   159.9800 2781.496   159.9800 ?          ?        526.1613 15.20256 ?        ?        ?         ?        
1 1 1 2  36 5  o 209.4528 6.500423 439.0940   27.23064 439.0940   27.23064 ?          ?        209.4528 6.500423 ?        ?        ?         ?        
1 1 1 2  36 6  o 502.2658 15.98231 2536.988   160.5473 2536.988   160.5473 ?          ?        502.2658 15.98231 ?        ?        ?         ?        
1 1 1 2  36 7  o 901.8860 28.11723 8299.104   507.1707 8299.104   507.1707 ?          ?        901.8860 28.11723 ?        ?        ?         ?        
1 1 1 2  36 8  o 382.5840 8.748667 1467.051   66.94199 1467.051   66.94199 ?          ?        382.5840 8.748667 ?        ?        ?         ?        
1 1 1 2  36 9  o 512.9999 13.32559 2648.747   136.7205 2648.747   136.7205 ?          ?        512.9999 13.32559 ?        ?        ?         ?        
1 1 1 2  36 10 o 280.3199 7.487974 787.4193   41.98057 787.4193   41.98057 ?          ?        280.3199 7.487974 ?        ?        ?         ?        
1 1 1 2  36 11 o 388.7482 9.047734 1516.973   70.34581 1516.973   70.34581 ?          ?        388.7482 9.047734 ?        ?        ?         ?        
1 1 1 2  36 12 o 160.8022 6.173942 259.2584   19.85567 259.2584   19.85567 ?          ?        160.8022 6.173942 ?        ?        ?         ?        
1 1 1 2  36 13 o 214.7425 6.340301 462.9208   27.23064 462.9208   27.23064 ?          ?        214.7425 6.340301 ?        ?        ?         ?        
1 1 1 2  36 14 o 208.6268 6.526161 437.9594   27.23064 437.9594   27.23064 ?          ?        208.6268 6.526161 ?        ?        ?         ?        
1 1 1 2  36 15 o 244.9721 6.947382 605.3144   34.03830 605.3144   34.03830 ?          ?        244.9721 6.947382 ?        ?        ?         ?        
1 1 1 2  36 16 o 61.75854 12.37822 40.84595   14.74993 40.84595   14.74993 ?          ?        61.75854 12.37822 ?        ?        ?         ?        
1 1 1 2  36 17 o 150.9116 6.578578 230.8931   19.85567 230.8931   19.85567 ?          ?        150.9116 6.578578 ?        ?        ?         ?        
1 1 1 2  37 0  o 16.37973 11.80501 -24.39412  17.01915 -24.39412  17.01915 -24.39412  17.01915 16.37973 11.80501 16.37973 11.80501 -0.000000 0.000000 
1 1 1 2  37 1  o 504.0868 10.18497 2545.498   102.6822 2545.498   102.6822 ?          ?        504.0868 10.18497 ?        ?        ?         ?        
1 1 1 2  37 2  o 237.8788 5.604396 566.1703   26.66333 566.1703   26.66333 ?          ?        237.8788 5.604396 ?        ?        ?         ?        
1 1 1 2  37 3  o 164.2902 4.834294 270.0372   15.88454 270.0372   15.88454 ?          ?        164.2902 4.834294 ?        ?        ?         ?        
1 1 1 2  37 4  o 778.9961 18.09705 6112.144   281.9506 6112.144   281.9506 ?          ?        778.9961 18.09705 ?        ?        ?         ?        
1 1 1 2  37 5  o 846.7336 23.95222 7251.292   405.6230 7251.292   405.6230 ?          ?        846.7336 23.95222 ?        ?        ?         ?        
1 1 1 2  37 6  o 188.0726 5.731189 353.9983   21.55759 353.9983   21.55759 ?          ?        188.0726 5.731189 ?        ?        ?         ?        
1 1 1 2  37 7  o 408.1296 13.20511 1674.117   107.7879 1674.117   107.7879 ?          ?        408.1296 13.20511 ?        ?        ?         ?        
1 1 1 2  37 8  o 406.6872 9.276362 1658.232   75.45156 1658.232   75.45156 ?          ?        406.6872 9.276362 ?        ?        ?         ?        
1 1 1 2  37 9  o 328.5409 7.770334 1081.851   51.05745 1081.851   51.05745 ?          ?        328.5409 7.770334 ?        ?        ?         ?        
1 1 1 2  37 10 o 279.9009 7.195164 785.1501   40.27865 785.1501   40.27865 ?          ?        279.9009 7.195164 ?        ?        ?         ?        
1 1 1 2  37 11 o 55.01521 13.06656 31.76908   14.18262 31.76908   14.18262 ?          ?        55.01521 13.06656 ?        ?        ?         ?        
1 1 1 2  37 12 o 246.5754 6.672134 609.8528   32.90369 609.8528   32.90369 ?          ?        246.5754 6.672134 ?        ?        ?         ?        
1 1 1 2  37 13 o 247.1791 6.770595 614.3914   33.47099 614.3914   33.47099 ?          ?        247.1791 6.770595 ?        ?        ?         ?        
1 1 1 2  37 14 o 420.2514 10.52936 1795.520   88.49958 1795.520   88.49958 ?          ?        420.2514 10.52936 ?        ?        ?         ?        
1 1 1 2  37 15 o 311.4747 8.013947 983.1396   49.92284 983.1396   49.92284 ?          ?        311.4747 8.013947 ?        ?        ?         ?        
1 1 1 2  37 16 o 184.9790 6.440407 346.0561   23.82681 346.0561   23.82681 ?          ?        184.9790 6.440407 ?        ?        ?         ?        
1 1 1 2  37 17 o 159.1893 6.414683 256.9891   20.42298 256.9891   20.42298 ?          ?        159.1893 6.414683 ?        ?        ?         ?        
1 1 1 2  38 0  o 546.0320 15.61257 2995.370   170.1915 2995.370   170.1915 2995.370   170.1915 546.0320 15.61257 546.0320 15.61257 -0.000000 0.000000 
1 1 1 2  38 1  o 320.6524 6.899961 1029.091   44.24979 1029.091   44.24979 ?          ?        320.6524 6.899961 ?        ?        ?         ?        
1 1 1 2  38 2  o 199.6445 5.398995 398.8154   21.55759 398.8154   21.55759 ?          ?        199.6445 5.398995 ?        ?        ?         ?        
1 1 1 2  38 3  f 159.3715 5.339458 254.1526   17.01915 254.1526   17.01915 ?          ?        159.3715 5.339458 ?        ?        ?         ?        
1 1 1 2  38 4  o 196.6455 5.192842 386.9020   20.42298 386.9020   20.42298 ?          ?        196.6455 5.192842 ?        ?        ?         ?        
1 1 1 2  38 5  o 722.1303 19.95422 5261.753   288.1909 5261.753   288.1909 ?          ?        722.1303 19.95422 ?        ?        ?         ?        
1 1 1 2  38 6  o 355.3614 11.89331 1267.359   84.52843 1267.359   84.52843 ?          ?        355.3614 11.89331 ?        ?        ?         ?        
1 1 1 2  38 7  o 192.3793 5.602887 370.4502   21.55759 370.4502   21.55759 ?          ?        192.3793 5.602887 ?        ?        ?         ?        
1 1 1 2  38 8  o 300.0190 10.11630 903.1494   60.70163 903.1494   60.70163 ?          ?        300.0190 10.11630 ?        ?        ?         ?        
1 1 1 2  38 9  o 386.5250 8.879620 1498.252   68.64390 1498.252   68.64390 ?          ?        386.5250 8.879620 ?        ?        ?         ?        
1 1 1 2  38 10 o 270.0080 6.933522 730.6888   37.44213 730.6888   37.44213 ?          ?        270.0080 6.933522 ?        ?        ?         ?        
1 1 1 2  38 11 o 374.4805 8.862236 1408.618   66.37468 1408.618   66.37468 ?          ?        374.4805 8.862236 ?        ?        ?         ?        
1 1 1 2  38 12 o 373.8472 9.635985 1408.051   72.04772 1408.051   72.04772 ?          ?        373.8472 9.635985 ?        ?        ?         ?        
1 1 1 2  38 13 o 138.3341 6.356513 192.3164   17.58645 192.3164   17.58645 ?          ?        138.3341 6.356513 ?        ?        ?         ?        
1 1 1 2  38 14 o 221.7461 6.651720 495.2573   29.49986 495.2573   29.49986 ?          ?        221.7461 6.651720 ?        ?        ?         ?        
1 1 1 2  38 15 o 125.5616 7.003117 159.4127   17.58645 159.4127   17.58645 ?          ?        125.5616 7.003117 ?        ?        ?         ?        
1 1 1 2  38 16 o 138.2141 6.772488 193.4510   18.72106 193.4510   18.72106 ?          ?        138.2141 6.772488 ?        ?        ?         ?        
1 1 1 2  38 17 o 132.3800 7.499498 178.7011   19.85567 178.7011   19.85567 ?          ?        132.3800 7.499498 ?        ?        ?         ?        
1 1 1 2  39 0  o 332.7099 10.25205 1111.350   68.07660 1111.350   68.07660 1111.350   68.07660 332.7099 10.25205 332.7099 10.25205 -0.000000 0.000000 
1 1 1 2  39 1  o 481.0732 9.787766 2319.143   94.17262 2319.143   94.17262 ?          ?        481.0732 9.787766 ?        ?        ?         ?        
1 1 1 2  39 2  o 270.8315 6.074567 734.0926   32.90369 734.0926   32.90369 ?          ?        270.8315 6.074567 ?        ?        ?         ?        
1 1 1 2  39 3  o 404.6255 8.342193 1639.511   67.50929 1639.511   67.50929 ?          ?        404.6255 8.342193 ?        ?        ?         ?        
1 1 1 2  39 4  o 494.2759 12.62525 2451.325   124.8071 2451.325   124.8071 ?          ?        494.2759 12.62525 ?        ?        ?         ?        
1 1 1 2  39 5  o 691.1959 21.38076 4831.737   295.5659 4831.737   295.5659 ?          ?        691.1959 21.38076 ?        ?        ?         ?        
1 1 1 2  39 6  o 723.6756 22.69453 5313.945   328.4696 5313.945   328.4696 ?          ?        723.6756 22.69453 ?        ?        ?         ?        
1 1 1 2  39 7  o 332.2498 8.451953 1106.245   56.16319 1106.245   56.16319 ?          ?        332.2498 8.451953 ?        ?        ?         ?        
1 1 1 2  39 8  o 49.03225 13.47451 24.96142   13.61532 24.96142   13.61532 ?          ?        49.03225 13.47451 ?        ?        ?         ?        
1 1 1 2  39 9  o 160.3735 6.190449 257.5565   19.85567 257.5565   19.85567 ?          ?        160.3735 6.190449 ?        ?        ?         ?        
1 1 1 2  39 10 o 855.8122 24.26159 7512.820   415.2672 7512.820   415.2672 ?          ?        855.8122 24.26159 ?        ?        ?         ?        
1 1 1 2  39 11 o 237.8200 6.679229 567.3050   31.76908 567.3050   31.76908 ?          ?        237.8200 6.679229 ?        ?        ?         ?        
1 1 1 2  39 12 o 154.8074 6.413024 240.5373   19.85567 240.5373   19.85567 ?          ?        154.8074 6.413024 ?        ?        ?         ?        
1 1 1 2  39 13 o 285.3065 8.251884 820.8903   47.08631 820.8903   47.08631 ?          ?        285.3065 8.251884 ?        ?        ?         ?        
1 1 1 2  39 14 o 120.2492 7.076614 145.7974   17.01915 145.7974   17.01915 ?          ?        120.2492 7.076614 ?        ?        ?         ?        
1 1 1 2  39 15 o 86.07215 8.897903 75.45156   15.31723 75.45156   15.31723 ?          ?        86.07215 8.897903 ?        ?        ?         ?        
1 1 1 2  39 16 o 36.33794 14.12915 9.644185   14.74993 9.644185   14.74993 ?          ?        36.33794 14.12915 ?        ?        ?         ?        
1 1 1 2  40 0  o 248.9428 8.453127 622.3336   41.98057 622.3336   41.98057 622.3336   41.98057 248.9428 8.453127 248.9428 8.453127 -0.000000 0.000000 
1 1 1 2  40 1  o 241.1750 5.763024 582.0549   27.79794 582.0549   27.79794 ?          ?        241.1750 5.763024 ?        ?        ?         ?        
1 1 1 2  40 2  o 556.6614 11.31224 3106.562   125.9417 3106.562   125.9417 ?          ?        556.6614 11.31224 ?        ?        ?         ?        
1 1 1 2  40 3  o 523.7338 11.31937 2750.294   118.5667 2750.294   118.5667 ?          ?        523.7338 11.31937 ?        ?        ?         ?        
1 1 1 2  40 4  o 364.8206 8.319383 1333.167   60.70163 1333.167   60.70163 ?          ?        364.8206 8.319383 ?        ?        ?         ?        
1 1 1 2  40 5  o 338.4900 9.134131 1148.225   61.83624 1148.225   61.83624 ?          ?        338.4900 9.134131 ?        ?        ?         ?        
1 1 1 2  40 6  o 412.6194 13.61138 1712.126   112.3264 1712.126   112.3264 ?          ?        412.6194 13.61138 ?        ?        ?         ?        
1 1 1 2  40 7  o 491.1930 15.70737 2431.469   154.3070 2431.469   154.3070 ?          ?        491.1930 15.70737 ?        ?        ?         ?        
1 1 1 2  40 8  o 324.4198 8.306210 1055.187   53.89397 1055.187   53.89397 ?          ?        324.4198 8.306210 ?        ?        ?         ?        
1 1 1 2  40 9  o 139.7180 7.917698 195.7202   22.12490 195.7202   22.12490 ?          ?        139.7180 7.917698 ?        ?        ?         ?        
1 1 1 2  40 10 o 440.5771 10.17236 1951.529   89.63419 1951.529   89.63419 ?          ?        440.5771 10.17236 ?        ?        ?         ?        
1 1 1 2  40 11 o 183.3404 6.033831 336.9791   22.12490 336.9791   22.12490 ?          ?        183.3404 6.033831 ?        ?        ?         ?        
1 1 1 2  40 12 o 300.1700 7.654281 905.9860   45.95170 905.9860   45.95170 ?          ?        300.1700 7.654281 ?        ?        ?         ?        
1 1 1 2  40 13 o 196.2517 6.504076 387.4693   25.52872 387.4693   25.52872 ?          ?        196.2517 6.504076 ?        ?        ?         ?        
1 1 1 2  40 14 o 257.5409 7.048885 668.8526   36.30752 668.8526   36.30752 ?          ?        257.5409 7.048885 ?        ?        ?         ?        
1 1 1 2  40 15 o 62.13599 12.30674 41.41326   14.74993 41.41326   14.74993 ?          ?        62.13599 12.30674 ?        ?        ?         ?        
1 1 1 2  40 16 o 99.12505 8.298531 100.4130   16.45185 100.4130   16.45185 ?          ?        99.12505 8.298531 ?        ?        ?         ?        
1 1 1 2  41 0  o 27.48566 17.68465 1.701915   21.55759 1.701915   21.55759 1.701915   21.55759 27.48566 17.68465 27.48566 17.68465 -0.000000 0.000000 
1 1 1 2  41 1  o 214.5611 5.552452 460.6516   23.82681 460.6516   23.82681 ?          ?        214.5611 5.552452 ?        ?        ?         ?        
1 1 1 2  41 2  o 583.2715 11.81740 3412.340   137.8551 3412.340   137.8551 ?          ?        583.2715 11.81740 ?        ?        ?         ?        
1 1 1 2  41 3  o 323.3082 7.457423 1046.678   48.22092 1046.678   48.22092 ?          ?        323.3082 7.457423 ?        ?        ?         ?        
1 1 1 2  41 4  o 348.6776 8.541848 1218.004   59.56702 1218.004   59.56702 ?          ?        348.6776 8.541848 ?        ?        ?         ?        
1 1 1 2  41 5  o 145.3770 6.438797 211.6048   18.72106 211.6048   18.72106 ?          ?        145.3770 6.438797 ?        ?        ?         ?        
1 1 1 2  41 6  o 201.5093 7.601255 406.7577   30.63447 406.7577   30.63447 ?          ?        201.5093 7.601255 ?        ?        ?         ?        
1 1 1 2  41 7  o 170.8180 5.977992 292.1620   20.42298 292.1620   20.42298 ?          ?        170.8180 5.977992 ?        ?        ?         ?        
1 1 1 2  41 8  o 934.6906 29.61887 9010.505   553.6896 9010.505   553.6896 ?          ?        934.6906 29.61887 ?        ?        ?         ?        
1 1 1 2  41 9  o 339.3347 8.108303 1155.033   55.02858 1155.033   55.02858 ?          ?        339.3347 8.108303 ?        ?        ?         ?        
1 1 1 2  41 10 o 389.2129 10.64026 1524.349   82.82652 1524.349   82.82652 ?          ?        389.2129 10.64026 ?        ?        ?         ?        
1 1 1 2  41 11 o 149.2718 6.650845 223.5181   19.85567 223.5181   19.85567 ?          ?        149.2718 6.650845 ?        ?        ?         ?        
1 1 1 2  41 12 o 413.2987 9.745652 1728.011   80.55730 1728.011   80.55730 ?          ?        413.2987 9.745652 ?        ?        ?         ?        
1 1 1 2  41 13 o 105.7121 8.318090 112.8937   17.58645 112.8937   17.58645 ?          ?        105.7121 8.318090 ?        ?        ?         ?        
1 1 1 2  41 14 o 157.9458 6.285600 251.3161   19.85567 251.3161   19.85567 ?          ?        157.9458 6.285600 ?        ?        ?         ?        
1 1 1 2  41 15 o 140.1872 6.474825 198.5567   18.15376 198.5567   18.15376 ?          ?        140.1872 6.474825 ?        ?        ?         ?        
1 1 1 2  41 16 o 160.7477 6.705410 262.0949   21.55759 262.0949   21.55759 ?          ?        160.7477 6.705410 ?        ?        ?         ?        
1 1 1 2  42 0  o 395.5055 12.72319 1572.002   100.4130 1572.002   100.4130 1572.002   100.4130 395.5055 12.72319 395.5055 12.72319 -0.000000 0.000000 
1 1 1 2  42 1  o 391.4477 8.840415 1535.127   69.21120 1535.127   69.21120 ?          ?        391.4477 8.840415 ?        ?        ?         ?        
1 1 1 2  42 2  o 642.6755 14.07944 4150.403   180.9703 4150.403   180.9703 ?          ?        642.6755 14.07944 ?        ?        ?         ?        
1 1 1 2  42 3  o 434.5204 9.661356 1892.529   83.96114 1892.529   83.96114 ?          ?        434.5204 9.661356 ?        ?        ?         ?        
1 1 1 2  42 4  o 686.2881 19.01244 4757.987   260.9603 4757.987   260.9603 ?          ?        686.2881 19.01244 ?        ?        ?         ?        
1 1 1 2  42 5  o 549.5605 13.98751 3037.918   153.7396 3037.918   153.7396 ?          ?        549.5605 13.98751 ?        ?        ?         ?        
1 1 1 2  42 6  o 136.9485 6.213706 187.7779   17.01915 187.7779   17.01915 ?          ?        136.9485 6.213706 ?        ?        ?         ?        
1 1 1 2  42 7  f 172.9576 5.904043 299.5370   20.42298 299.5370   20.42298 ?          ?        172.9576 5.904043 ?        ?        ?         ?        
1 1 1 2  42 8  o 48.68897 16.55732 22.12490   19.28837 22.12490   19.28837 ?          ?        48.68897 16.55732 ?        ?        ?         ?        
1 1 1 2  42 9  o 432.4837 10.49390 1879.481   90.76879 1879.481   90.76879 ?          ?        432.4837 10.49390 ?        ?        ?         ?        
1 1 1 2  42 10 o 189.8520 6.275101 361.3732   23.82681 361.3732   23.82681 ?          ?        189.8520 6.275101 ?        ?        ?         ?        
1 1 1 2  42 11 o 30.08376 13.31861 -5.105744  15.88454 -5.105744  15.88454 ?          ?        30.08376 13.31861 ?        ?        ?         ?        
1 1 1 2  42 12 o 394.8781 9.338281 1575.973   73.74965 1575.973   73.74965 ?          ?        394.8781 9.338281 ?        ?        ?         ?        
1 1 1 2  42 13 o 75.82137 10.10087 58.43241   15.31723 58.43241   15.31723 ?          ?        75.82137 10.10087 ?        ?        ?         ?        
1 1 1 2  42 14 o 33.08981 13.34368 5.673049   13.61532 5.673049   13.61532 ?          ?        33.08981 13.34368 ?        ?        ?         ?        
1 1 1 2  42 15 o 79.26168 8.588841 64.10546   13.61532 64.10546   13.61532 ?          ?        79.26168 8.588841 ?        ?        ?         ?        
1 1 1 2  42 16 o 43.20447 14.47893 19.28837   14.74993 19.28837   14.74993 ?          ?        43.20447 14.47893 ?        ?        ?         ?        
1 1 1 2  43 0  o 433.8345 13.95825 1892.529   120.8360 1892.529   120.8360 1892.529   120.8360 433.8345 13.95825 433.8345 13.95825 -0.000000 0.000000 
1 1 1 2  43 1  o 204.9345 6.090096 420.3730   24.96142 420.3730   24.96142 ?          ?        204.9345 6.090096 ?        ?        ?         ?        
1 1 1 2  43 2  o 627.9697 14.77052 3965.462   185.5087 3965.462   185.5087 ?          ?        627.9697 14.77052 ?        ?        ?         ?        
1 1 1 2  43 3  o 303.3845 7.479683 921.8705   45.38440 921.8705   45.38440 ?          ?        303.3845 7.479683 ?        ?        ?         ?        
1 1 1 2  43 4  o 108.0216 7.089891 116.8648   15.31723 116.8648   15.31723 ?          ?        108.0216 7.089891 ?        ?        ?         ?        
1 1 1 2  43 5  o 389.3309 9.398477 1519.810   73.18234 1519.810   73.18234 ?          ?        389.3309 9.398477 ?        ?        ?         ?        
1 1 1 2  43 6  o 269.3042 7.478282 726.7177   40.27865 726.7177   40.27865 ?          ?        269.3042 7.478282 ?        ?        ?         ?        
1 1 1 2  43 7  f 173.1212 6.062311 300.1043   20.99029 300.1043   20.99029 ?          ?        173.1212 6.062311 ?        ?        ?         ?        
1 1 1 2  43 8  o 178.0833 6.211951 317.6908   22.12490 317.6908   22.12490 ?          ?        178.0833 6.211951 ?        ?        ?         ?        
1 1 1 2  43 9  o 165.4634 7.371452 274.5756   24.39412 274.5756   24.39412 ?          ?        165.4634 7.371452 ?        ?        ?         ?        
1 1 1 2  43 10 o 242.3956 6.787187 589.4299   32.90369 589.4299   32.90369 ?          ?        242.3956 6.787187 ?        ?        ?         ?        
1 1 1 2  43 11 o 233.2920 6.565693 546.3147   30.63447 546.3147   30.63447 ?          ?        233.2920 6.565693 ?        ?        ?         ?        
1 1 1 2  43 12 o 94.08283 9.949245 89.63419   18.72106 89.63419   18.72106 ?          ?        94.08283 9.949245 ?        ?        ?         ?        
1 1 1 2  43 13 o 137.0914 7.034857 189.4799   19.28837 189.4799   19.28837 ?          ?        137.0914 7.034857 ?        ?        ?         ?        
1 1 1 2  43 14 o 317.2563 8.046721 1021.149   51.05745 1021.149   51.05745 ?          ?        317.2563 8.046721 ?        ?        ?         ?        
1 1 1 2  43 15 o 119.8547 7.336570 145.7974   17.58645 145.7974   17.58645 ?          ?        119.8547 7.336570 ?        ?        ?         ?        
1 1 1 2  43 16 o 35.85222 14.27078 8.509575   15.31723 8.509575   15.31723 ?          ?        35.85222 14.27078 ?        ?        ?         ?        
1 1 1 2  44 0  o 736.2603 22.89470 5474.493   336.4118 5474.493   336.4118 5474.493   336.4118 736.2603 22.89470 736.2603 22.89470 -0.000000 0.000000 
1 1 1 2  44 1  o 101.2273 8.686614 102.6822   17.58645 102.6822   17.58645 ?          ?        101.2273 8.686614 ?        ?        ?         ?        
1 1 1 2  44 2  o 785.2487 17.12213 6219.365   268.9026 6219.365   268.9026 ?          ?        785.2487 17.12213 ?        ?        ?         ?        
1 1 1 2  44 3  o 131.8874 6.452152 174.1626   17.01915 174.1626   17.01915 ?          ?        131.8874 6.452152 ?        ?        ?         ?        
1 1 1 2  44 4  o 265.6842 6.832834 706.8619   36.30752 706.8619   36.30752 ?          ?        265.6842 6.832834 ?        ?        ?         ?        
1 1 1 2  44 5  o 253.2298 6.608818 642.1892   33.47099 642.1892   33.47099 ?          ?        253.2298 6.608818 ?        ?        ?         ?        
1 1 1 2  44 6  o 900.6810 28.28081 8355.835   509.4399 8355.835   509.4399 ?          ?        900.6810 28.28081 ?        ?        ?         ?        
1 1 1 2  44 7  o 325.6326 8.362381 1063.130   54.46128 1063.130   54.46128 ?          ?        325.6326 8.362381 ?        ?        ?         ?        
1 1 1 2  44 8  o 126.7771 7.383456 161.1146   18.72106 161.1146   18.72106 ?          ?        126.7771 7.383456 ?        ?        ?         ?        
1 1 1 2  44 9  o 276.4758 6.873917 766.4290   38.00943 766.4290   38.00943 ?          ?        276.4758 6.873917 ?        ?        ?         ?        
1 1 1 2  44 10 o 26.72385 12.53472 -17.58645  17.01915 -17.58645  17.01915 ?          ?        26.72385 12.53472 ?        ?        ?         ?        
1 1 1 2  44 11 o 203.7239 6.404754 416.9691   26.09603 416.9691   26.09603 ?          ?        203.7239 6.404754 ?        ?        ?         ?        
1 1 1 2  44 12 o 342.9223 8.933355 1189.638   61.26894 1189.638   61.26894 ?          ?        342.9223 8.933355 ?        ?        ?         ?        
1 1 1 2  44 13 o 214.7590 7.132290 465.1901   30.63447 465.1901   30.63447 ?          ?        214.7590 7.132290 ?        ?        ?         ?        
1 1 1 2  44 14 o 55.76700 16.59106 34.03830   19.85567 34.03830   19.85567 ?          ?        55.76700 16.59106 ?        ?        ?         ?        
1 1 1 2  44 15 o 68.91348 12.38721 51.05745   16.45185 51.05745   16.45185 ?          ?        68.91348 12.38721 ?        ?        ?         ?        
1 1 1 2  45 0  o 264.9412 9.663679 705.7274   51.05745 705.7274   51.05745 705.7274   51.05745 264.9412 9.663679 264.9412 9.663679 -0.000000 0.000000 
1 1 1 2  45 1  o 471.3220 10.53190 2228.941   99.27837 2228.941   99.27837 ?          ?        471.3220 10.53190 ?        ?        ?         ?        
1 1 1 2  45 2  o 214.6410 6.078994 461.2190   26.09603 461.2190   26.09603 ?          ?        214.6410 6.078994 ?        ?        ?         ?        
1 1 1 2  45 3  o 395.6464 9.033373 1569.166   71.48043 1569.166   71.48043 ?          ?        395.6464 9.033373 ?        ?        ?         ?        
1 1 1 2  45 4  o 191.9033 6.355837 368.7482   24.39412 368.7482   24.39412 ?          ?        191.9033 6.355837 ?        ?        ?         ?        
1 1 1 2  45 5  o 205.0983 7.329941 421.5076   30.06716 421.5076   30.06716 ?          ?        205.0983 7.329941 ?        ?        ?         ?        
1 1 1 2  45 6  o 141.1945 6.830428 199.6914   19.28837 199.6914   19.28837 ?          ?        141.1945 6.830428 ?        ?        ?         ?        
1 1 1 2  45 7  o 471.6774 13.41054 2242.556   126.5090 2242.556   126.5090 ?          ?        471.6774 13.41054 ?        ?        ?         ?        
1 1 1 2  45 8  o 384.3238 9.004284 1482.935   69.21120 1482.935   69.21120 ?          ?        384.3238 9.004284 ?        ?        ?         ?        
1 1 1 2  45 9  o 245.8693 6.806664 606.4490   33.47099 606.4490   33.47099 ?          ?        245.8693 6.806664 ?        ?        ?         ?        
1 1 1 2  45 10 o 51.35617 13.18856 27.79794   13.61532 27.79794   13.61532 ?          ?        51.35617 13.18856 ?        ?        ?         ?        
1 1 1 2  45 11 f 121.0888 8.901562 148.0666   21.55759 148.0666   21.55759 ?          ?        121.0888 8.901562 ?        ?        ?         ?        
1 1 1 2  45 12 o 563.3818 12.83879 3253.494   144.6628 3253.494   144.6628 ?          ?        563.3818 12.83879 ?        ?        ?         ?        
1 1 1 2  45 13 o 261.7580 8.127331 693.8140   42.54787 693.8140   42.54787 ?          ?        261.7580 8.127331 ?        ?        ?         ?        
1 1 1 2  45 14 o 197.9790 6.447331 395.9789   25.52872 395.9789   25.52872 ?          ?        197.9790 6.447331 ?        ?        ?         ?        
1 1 1 2  45 15 o 39.43944 15.89127 9.644185   19.28837 9.644185   19.28837 ?          ?        39.43944 15.89127 ?        ?        ?         ?        
1 1 1 2  46 0  o 225.5926 9.466272 512.2764   42.54787 512.2764   42.54787 512.2764   42.54787 225.5926 9.466272 225.5926 9.466272 -0.000000 0.000000 
1 1 1 2  46 1  o 216.8667 6.278197 470.8631   27.23064 470.8631   27.23064 ?          ?        216.8667 6.278197 ?        ?        ?         ?        
1 1 1 2  46 2  o 168.8205 6.384766 285.3544   21.55759 285.3544   21.55759 ?          ?        168.8205 6.384766 ?        ?        ?         ?        
1 1 1 2  46 3  o 52.99448 15.23992 28.93255   17.01915 28.93255   17.01915 ?          ?        52.99448 15.23992 ?        ?        ?         ?        
1 1 1 2  46 4  o 398.1527 9.118994 1590.156   72.61504 1590.156   72.61504 ?          ?        398.1527 9.118994 ?        ?        ?         ?        
1 1 1 2  46 5  f 136.4544 8.107064 186.6433   22.12490 186.6433   22.12490 ?          ?        136.4544 8.107064 ?        ?        ?         ?        
1 1 1 2  46 6  o 269.9119 7.566536 730.1215   40.84595 730.1215   40.84595 ?          ?        269.9119 7.566536 ?        ?        ?         ?        
1 1 1 2  46 7  o 277.6599 7.048920 772.6694   39.14404 772.6694   39.14404 ?          ?        277.6599 7.048920 ?        ?        ?         ?        
1 1 1 2  46 8  o 423.0994 10.32440 1800.626   87.36497 1800.626   87.36497 ?          ?        423.0994 10.32440 ?        ?        ?         ?        
1 1 1 2  46 9  o 95.32777 8.629093 91.33610   16.45185 91.33610   16.45185 ?          ?        95.32777 8.629093 ?        ?        ?         ?        
1 1 1 2  46 10 o 456.0811 10.44849 2100.163   95.30723 2100.163   95.30723 ?          ?        456.0811 10.44849 ?        ?        ?         ?        
1 1 1 2  46 11 o 62.91742 13.46504 41.98057   16.45185 41.98057   16.45185 ?          ?        62.91742 13.46504 ?        ?        ?         ?        
1 1 1 2  46 12 o 64.37009 15.92958 44.81709   20.42298 44.81709   20.42298 ?          ?        64.37009 15.92958 ?        ?        ?         ?        
1 1 1 2  46 13 o 53.19495 14.52577 30.63447   15.88454 30.63447   15.88454 ?          ?        53.19495 14.52577 ?        ?        ?         ?        
1 1 1 2  46 14 o 226.3409 8.020540 521.3533   36.30752 521.3533   36.30752 ?          ?        226.3409 8.020540 ?        ?        ?         ?        
1 1 1 2  46 15 o 87.69504 10.02705 79.42269   17.58645 79.42269   17.58645 ?          ?        87.69504 10.02705 ?        ?        ?         ?        
1 1 1 2  47 0  o 986.4124 30.57474 9901.175   601.9106 9901.175   601.9106 9901.175   601.9106 986.4124 30.57474 986.4124 30.57474 -0.000000 0.000000 
1 1 1 2  47 1  o 245.9698 6.688562 605.8817   32.90369 605.8817   32.90369 ?          ?        245.9698 6.688562 ?        ?        ?         ?        
1 1 1 2  47 2  o 801.8403 17.51072 6496.777   280.8159 6496.777   280.8159 ?          ?        801.8403 17.51072 ?        ?        ?         ?        
1 1 1 2  47 3  o 144.1639 6.886495 208.2009   19.85567 208.2009   19.85567 ?          ?        144.1639 6.886495 ?        ?        ?         ?        
1 1 1 2  47 4  o 334.4541 8.481058 1121.562   56.73050 1121.562   56.73050 ?          ?        334.4541 8.481058 ?        ?        ?         ?        
1 1 1 2  47 5  o 204.9972 6.780080 420.9402   27.79794 420.9402   27.79794 ?          ?        204.9972 6.780080 ?        ?        ?         ?        
1 1 1 2  47 6  o 176.6322 6.423572 312.5851   22.69220 312.5851   22.69220 ?          ?        176.6322 6.423572 ?        ?        ?         ?        
1 1 1 2  47 7  o 249.5234 6.820663 624.0355   34.03830 624.0355   34.03830 ?          ?        249.5234 6.820663 ?        ?        ?         ?        
1 1 1 2  47 8  o 478.4854 12.62692 2313.469   120.8360 2313.469   120.8360 ?          ?        478.4854 12.62692 ?        ?        ?         ?        
1 1 1 2  47 9  o 142.8283 7.149487 204.7971   20.42298 204.7971   20.42298 ?          ?        142.8283 7.149487 ?        ?        ?         ?        
1 1 1 2  47 10 o 181.8243 6.864160 332.4407   24.96142 332.4407   24.96142 ?          ?        181.8243 6.864160 ?        ?        ?         ?        
1 1 1 2  47 11 o 143.4569 6.524977 207.0663   18.72106 207.0663   18.72106 ?          ?        143.4569 6.524977 ?        ?        ?         ?        
1 1 1 2  47 12 o 267.1154 7.008606 719.3427   37.44213 719.3427   37.44213 ?          ?        267.1154 7.008606 ?        ?        ?         ?        
1 1 1 2  47 13 o 166.5262 9.027761 282.5179   30.06716 282.5179   30.06716 ?          ?        166.5262 9.027761 ?        ?        ?         ?        
1 1 1 2  47 14 o 81.78801 9.710800 68.64390   15.88454 68.64390   15.88454 ?          ?        81.78801 9.710800 ?        ?        ?         ?        
1 1 1 2  47 15 o 140.4828 7.066941 200.8260   19.85567 200.8260   19.85567 ?          ?        140.4828 7.066941 ?        ?        ?         ?        
1 1 1 2  48 0  o 497.0396 15.84333 2489.334   157.1435 2489.334   157.1435 2489.334   157.1435 497.0396 15.84333 497.0396 15.84333 -0.000000 0.000000 
1 1 1 2  48 1  o 277.3984 7.157819 770.9675   39.71135 770.9675   39.71135 ?          ?        277.3984 7.157819 ?        ?        ?         ?        
1 1 1 2  48 2  o 314.7343 7.660576 992.7838   48.22092 992.7838   48.22092 ?          ?        314.7343 7.660576 ?        ?        ?         ?        
1 1 1 2  48 3  o 293.7465 7.338842 864.5728   43.11518 864.5728   43.11518 ?          ?        293.7465 7.338842 ?        ?        ?         ?        
1 1 1 2  48 4  o 307.4823 7.564501 947.3992   46.51900 947.3992   46.51900 ?          ?        307.4823 7.564501 ?        ?        ?         ?        
1 1 1 2  48 5  o 286.1027 7.138338 820.3230   40.84595 820.3230   40.84595 ?          ?        286.1027 7.138338 ?        ?        ?         ?        
1 1 1 2  48 6  o 312.4191 7.717345 978.6010   48.22092 978.6010   48.22092 ?          ?        312.4191 7.717345 ?        ?        ?         ?        
1 1 1 2  48 7  o 104.1619 8.441885 108.9226   17.58645 108.9226   17.58645 ?          ?        104.1619 8.441885 ?        ?        ?         ?        
1 1 1 2  48 8  o 380.5285 9.094089 1456.272   69.21120 1456.272   69.21120 ?          ?        380.5285 9.094089 ?        ?        ?         ?        
1 1 1 2  48 9  o 331.2365 7.964001 1103.408   52.75936 1103.408   52.75936 ?          ?        331.2365 7.964001 ?        ?        ?         ?        
1 1 1 2  48 10 o 367.7057 8.794093 1364.936   64.67276 1364.936   64.67276 ?          ?        367.7057 8.794093 ?        ?        ?         ?        
1 1 1 2  48 11 o 153.5074 6.467332 237.1335   19.85567 237.1335   19.85567 ?          ?        153.5074 6.467332 ?        ?        ?         ?        
1 1 1 2  48 12 o 203.3043 6.417972 416.4019   26.09603 416.4019   26.09603 ?          ?        203.3043 6.417972 ?        ?        ?         ?        
1 1 1 2  48 13 o 219.4931 6.590765 487.3149   28.93255 487.3149   28.93255 ?          ?        219.4931 6.590765 ?        ?        ?         ?        
1 1 1 2  48 14 o 62.28198 16.88421 43.68248   21.55759 43.68248   21.55759 ?          ?        62.28198 16.88421 ?        ?        ?         ?        
1 1 1 2  49 0  o 385.8656 12.74788 1498.252   98.14376 1498.252   98.14376 1498.252   98.14376 385.8656 12.74788 385.8656 12.74788 -0.000000 0.000000 
1 1 1 2  49 1  o 119.8803 8.518074 144.0954   20.42298 144.0954   20.42298 ?          ?        119.8803 8.518074 ?        ?        ?         ?        
1 1 1 2  49 2  o 276.0753 7.192121 763.5925   39.71135 763.5925   39.71135 ?          ?        276.0753 7.192121 ?        ?        ?         ?        
1 1 1 2  49 3  o 276.3817 7.184149 765.2943   39.71135 765.2943   39.71135 ?          ?        276.3817 7.184149 ?        ?        ?         ?        
1 1 1 2  49 4  o 660.5803 14.55663 4401.719   192.3164 4401.719   192.3164 ?          ?        660.5803 14.55663 ?        ?        ?         ?        
1 1 1 2  49 5  o 41.71223 15.98527 11.91340   18.72106 11.91340   18.72106 ?          ?        41.71223 15.98527 ?        ?        ?         ?        
1 1 1 2  49 6  o 723.9539 16.02503 5312.244   232.0277 5312.244   232.0277 ?          ?        723.9539 16.02503 ?        ?        ?         ?        
1 1 1 2  49 7  o 99.93194 9.083062 100.4130   18.15376 100.4130   18.15376 ?          ?        99.93194 9.083062 ?        ?        ?         ?        
1 1 1 2  49 8  o 180.4677 6.758584 326.7676   24.39412 326.7676   24.39412 ?          ?        180.4677 6.758584 ?        ?        ?         ?        
1 1 1 2  49 9  o 100.4073 8.475055 101.5476   17.01915 101.5476   17.01915 ?          ?        100.4073 8.475055 ?        ?        ?         ?        
1 1 1 2  49 10 o 62.98372 13.04951 41.98057   15.88454 41.98057   15.88454 ?          ?        62.98372 13.04951 ?        ?        ?         ?        
1 1 1 2  49 11 o 72.25690 11.38427 53.32666   16.45185 53.32666   16.45185 ?          ?        72.25690 11.38427 ?        ?        ?         ?        
1 1 1 2  49 12 o 223.3759 6.603187 503.7668   29.49986 503.7668   29.49986 ?          ?        223.3759 6.603187 ?        ?        ?         ?        
1 1 1 2  49 13 o 211.5681 6.703575 452.7094   28.36525 452.7094   28.36525 ?          ?        211.5681 6.703575 ?        ?        ?         ?        
1 1 1 2  49 14 o 167.4738 6.944220 284.7871   23.25950 284.7871   23.25950 ?          ?        167.4738 6.944220 ?        ?        ?         ?        
1 1 1 2  50 0  f 156.4053 10.61809 248.4796   32.90369 248.4796   32.90369 248.4796   32.90369 156.4053 10.61809 156.4053 10.61809 -0.000000 0.000000 
1 1 1 2  50 1  o 357.6087 8.407840 1282.109   60.13433 1282.109   60.13433 ?          ?        357.6087 8.407840 ?        ?        ?         ?        
1 1 1 2  50 2  o 247.6422 6.987018 614.3914   34.60560 614.3914   34.60560 ?          ?        247.6422 6.987018 ?        ?        ?         ?        
1 1 1 2  50 3  o 166.3849 6.989666 277.4121   23.25950 277.4121   23.25950 ?          ?        166.3849 6.989666 ?        ?        ?         ?        
1 1 1 2  50 4  o 679.1919 16.07884 4668.353   218.4124 4668.353   218.4124 ?          ?        679.1919 16.07884 ?        ?        ?         ?        
1 1 1 2  50 5  o 366.1873 12.70361 1351.320   93.03801 1351.320   93.03801 ?          ?        366.1873 12.70361 ?        ?        ?         ?        
1 1 1 2  50 6  o 215.6577 6.839511 466.3247   29.49986 466.3247   29.49986 ?          ?        215.6577 6.839511 ?        ?        ?         ?        
1 1 1 2  50 7  o 206.5001 6.730734 427.7480   27.79794 427.7480   27.79794 ?          ?        206.5001 6.730734 ?        ?        ?         ?        
1 1 1 2  50 8  o 51.55968 14.68974 27.79794   15.88454 27.79794   15.88454 ?          ?        51.55968 14.68974 ?        ?        ?         ?        
1 1 1 2  50 9  o 135.3557 7.125068 184.3741   19.28837 184.3741   19.28837 ?          ?        135.3557 7.125068 ?        ?        ?         ?        
1 1 1 2  50 10 o 281.9428 7.243660 801.0346   40.84595 801.0346   40.84595 ?          ?        281.9428 7.243660 ?        ?        ?         ?        
1 1 1 2  50 11 o 307.5864 7.654160 955.3415   47.08631 955.3415   47.08631 ?          ?        307.5864 7.654160 ?        ?        ?         ?        
1 1 1 2  50 12 f 43.13128 15.24128 17.58645   16.45185 17.58645   16.45185 ?          ?        43.13128 15.24128 ?        ?        ?         ?        
1 1 1 2  50 13 o 114.1573 8.199677 132.7494   18.72106 132.7494   18.72106 ?          ?        114.1573 8.199677 ?        ?        ?         ?        
1 1 1 2  50 14 o 206.6292 6.726528 433.4210   27.79794 433.4210   27.79794 ?          ?        206.6292 6.726528 ?        ?        ?         ?        
1 1 1 2  51 0  o 74.08391 24.60333 70.91312   32.33638 70.91312   32.33638 70.91312   32.33638 74.08391 24.60333 74.08391 24.60333 -0.000000 0.000000 
1 1 1 2  51 1  o 109.9818 9.284711 121.4033   20.42298 121.4033   20.42298 ?          ?        109.9818 9.284711 ?        ?        ?         ?        
1 1 1 2  51 2  o 271.0540 7.011415 736.3619   38.00943 736.3619   38.00943 ?          ?        271.0540 7.011415 ?        ?        ?         ?        
1 1 1 2  51 3  o 173.6754 7.349553 302.3735   25.52872 302.3735   25.52872 ?          ?        173.6754 7.349553 ?        ?        ?         ?        
1 1 1 2  51 4  o 310.0121 7.868763 963.8511   48.78823 963.8511   48.78823 ?          ?        310.0121 7.868763 ?        ?        ?         ?        
1 1 1 2  51 5  o 294.9410 8.847880 873.6497   52.19205 873.6497   52.19205 ?          ?        294.9410 8.847880 ?        ?        ?         ?        
1 1 1 2  51 6  o 215.9877 6.829059 468.0266   29.49986 468.0266   29.49986 ?          ?        215.9877 6.829059 ?        ?        ?         ?        
1 1 1 2  51 7  o 95.56139 9.201653 91.90340   17.58645 91.90340   17.58645 ?          ?        95.56139 9.201653 ?        ?        ?         ?        
1 1 1 2  51 8  o 238.7014 6.892226 572.4106   32.90369 572.4106   32.90369 ?          ?        238.7014 6.892226 ?        ?        ?         ?        
1 1 1 2  51 9  o 126.8723 8.048633 162.2492   20.42298 162.2492   20.42298 ?          ?        126.8723 8.048633 ?        ?        ?         ?        
1 1 1 2  51 10 o 145.8759 7.000123 214.4413   20.42298 214.4413   20.42298 ?          ?        145.8759 7.000123 ?        ?        ?         ?        
1 1 1 2  51 11 o 251.6125 6.989499 638.7853   35.17290 638.7853   35.17290 ?          ?        251.6125 6.989499 ?        ?        ?         ?        
1 1 1 2  51 12 o 90.80938 9.683169 84.52843   17.58645 84.52843   17.58645 ?          ?        90.80938 9.683169 ?        ?        ?         ?        
1 1 1 2  51 13 o 182.7297 6.519687 338.1137   23.82681 338.1137   23.82681 ?          ?        182.7297 6.519687 ?        ?        ?         ?        
1 1 1 2  51 14 o 237.2291 7.771985 574.6800   36.87482 574.6800   36.87482 ?          ?        237.2291 7.771985 ?        ?        ?         ?        
1 1 1 2  52 0  o 642.9137 20.33989 4185.009   260.9603 4185.009   260.9603 4185.009   260.9603 642.9137 20.33989 642.9137 20.33989 -0.000000 0.000000 
1 1 1 2  52 1  o 52.04753 17.27232 26.09603   20.99029 26.09603   20.99029 ?          ?        52.04753 17.27232 ?        ?        ?         ?        
1 1 1 2  52 2  o 279.6678 7.404011 784.0154   41.41326 784.0154   41.41326 ?          ?        279.6678 7.404011 ?        ?        ?         ?        
1 1 1 2  52 3  o 92.55462 11.64587 86.23035   21.55759 86.23035   21.55759 ?          ?        92.55462 11.64587 ?        ?        ?         ?        
1 1 1 2  52 4  o 292.3434 7.374065 857.1978   43.11518 857.1978   43.11518 ?          ?        292.3434 7.374065 ?        ?        ?         ?        
1 1 1 2  52 5  o 225.5823 7.041573 510.5745   31.76908 510.5745   31.76908 ?          ?        225.5823 7.041573 ?        ?        ?         ?        
1 1 1 2  52 6  o 418.1024 9.633682 1759.213   80.55730 1759.213   80.55730 ?          ?        418.1024 9.633682 ?        ?        ?         ?        
1 1 1 2  52 7  o 159.9675 6.915434 256.9891   22.12490 256.9891   22.12490 ?          ?        159.9675 6.915434 ?        ?        ?         ?        
1 1 1 2  52 8  o 451.1832 10.31045 2062.721   93.03801 2062.721   93.03801 ?          ?        451.1832 10.31045 ?        ?        ?         ?        
1 1 1 2  52 9  o 51.37703 15.05192 27.79794   16.45185 27.79794   16.45185 ?          ?        51.37703 15.05192 ?        ?        ?         ?        
1 1 1 2  52 10 o 193.3579 6.748115 376.6905   26.09603 376.6905   26.09603 ?          ?        193.3579 6.748115 ?        ?        ?         ?        
1 1 1 2  52 11 o 72.57637 12.97492 56.16319   18.15376 56.16319   18.15376 ?          ?        72.57637 12.97492 ?        ?        ?         ?        
1 1 1 2  52 12 o 103.3705 8.780919 108.9226   18.15376 108.9226   18.15376 ?          ?        103.3705 8.780919 ?        ?        ?         ?        
1 1 1 2  52 13 o 286.3927 7.527282 835.0729   43.11518 835.0729   43.11518 ?          ?        286.3927 7.527282 ?        ?        ?         ?        
1 1 1 2  53 0  o 405.1433 13.33415 1653.694   107.7879 1653.694   107.7879 1653.694   107.7879 405.1433 13.33415 405.1433 13.33415 -0.000000 0.000000 
1 1 1 2  53 1  o 162.8994 7.313351 266.0660   23.82681 266.0660   23.82681 ?          ?        162.8994 7.313351 ?        ?        ?         ?        
1 1 1 2  53 2  o 367.7906 8.637815 1358.128   63.53815 1358.128   63.53815 ?          ?        367.7906 8.637815 ?        ?        ?         ?        
1 1 1 2  53 3  o 242.8134 6.892329 591.1317   33.47099 591.1317   33.47099 ?          ?        242.8134 6.892329 ?        ?        ?         ?        
1 1 1 2  53 4  o 458.4677 11.19841 2119.451   102.6822 2119.451   102.6822 ?          ?        458.4677 11.19841 ?        ?        ?         ?        
1 1 1 2  53 5  o 110.6660 8.714679 123.1052   19.28837 123.1052   19.28837 ?          ?        110.6660 8.714679 ?        ?        ?         ?        
1 1 1 2  53 6  o 128.1712 7.524454 165.0858   19.28837 165.0858   19.28837 ?          ?        128.1712 7.524454 ?        ?        ?         ?        
1 1 1 2  53 7  o 84.97070 11.35001 73.18234   19.28837 73.18234   19.28837 ?          ?        84.97070 11.35001 ?        ?        ?         ?        
1 1 1 2  53 8  f 251.7641 6.985290 637.6508   35.17290 637.6508   35.17290 ?          ?        251.7641 6.985290 ?        ?        ?         ?        
1 1 1 2  53 9  f 72.10189 13.48222 55.02858   18.72106 55.02858   18.72106 ?          ?        72.10189 13.48222 ?        ?        ?         ?        
1 1 1 2  53 10 o 169.9454 6.676319 291.0274   22.69220 291.0274   22.69220 ?          ?        169.9454 6.676319 ?        ?        ?         ?        
1 1 1 2  53 11 o 190.6366 6.546860 367.0463   24.96142 367.0463   24.96142 ?          ?        190.6366 6.546860 ?        ?        ?         ?        
1 1 1 2  53 12 o 201.0558 6.912992 409.5942   27.79794 409.5942   27.79794 ?          ?        201.0558 6.912992 ?        ?        ?         ?        
1 1 1 2  53 13 o 232.8750 7.186471 551.4204   33.47099 551.4204   33.47099 ?          ?        232.8750 7.186471 ?        ?        ?         ?        
1 1 1 2  54 0  f 441.3180 14.49596 1965.144   127.6436 1965.144   127.6436 1965.144   127.6436 441.3180 14.49596 441.3180 14.49596 -0.000000 0.000000 
1 1 1 2  54 1  o 151.5045 7.863400 230.3258   23.82681 230.3258   23.82681 ?          ?        151.5045 7.863400 ?        ?        ?         ?        
1 1 1 2  54 2  o 278.0959 7.649855 776.0732   42.54787 776.0732   42.54787 ?          ?        278.0959 7.649855 ?        ?        ?         ?        
1 1 1 2  54 3  o 166.0784 7.344156 276.8448   24.39412 276.8448   24.39412 ?          ?        166.0784 7.344156 ?        ?        ?         ?        
1 1 1 2  54 4  o 118.9952 9.058175 142.3935   21.55759 142.3935   21.55759 ?          ?        118.9952 9.058175 ?        ?        ?         ?        
1 1 1 2  54 5  o 82.03156 12.10246 68.07660   19.85567 68.07660   19.85567 ?          ?        82.03156 12.10246 ?        ?        ?         ?        
1 1 1 2  54 6  o 399.2639 9.377790 1606.608   74.88425 1606.608   74.88425 ?          ?        399.2639 9.377790 ?        ?        ?         ?        
1 1 1 2  54 7  o 223.4171 6.855893 502.0649   30.63447 502.0649   30.63447 ?          ?        223.4171 6.855893 ?        ?        ?         ?        
1 1 1 2  54 8  o 61.22641 15.68233 40.27865   19.28837 40.27865   19.28837 ?          ?        61.22641 15.68233 ?        ?        ?         ?        
1 1 1 2  54 9  o 103.7110 8.752088 108.9226   18.15376 108.9226   18.15376 ?          ?        103.7110 8.752088 ?        ?        ?         ?        
1 1 1 2  54 10 o 376.6737 9.111853 1443.224   68.64390 1443.224   68.64390 ?          ?        376.6737 9.111853 ?        ?        ?         ?        
1 1 1 2  54 11 o 106.3149 8.537732 115.1629   18.15376 115.1629   18.15376 ?          ?        106.3149 8.537732 ?        ?        ?         ?        
1 1 1 2  54 12 o 334.4397 8.481423 1142.552   56.73050 1142.552   56.73050 ?          ?        334.4397 8.481423 ?        ?        ?         ?        
1 1 1 2  54 13 o 149.7718 7.386201 228.6239   22.12490 228.6239   22.12490 ?          ?        149.7718 7.386201 ?        ?        ?         ?        
1 1 1 2  55 0  o 134.3646 11.78337 185.5087   31.20177 185.5087   31.20177 185.5087   31.20177 134.3646 11.78337 134.3646 11.78337 -0.000000 0.000000 
1 1 1 2  55 1  o 86.06782 12.52361 74.88425   21.55759 74.88425   21.55759 ?          ?        86.06782 12.52361 ?        ?        ?         ?        
1 1 1 2  55 2  o 257.5702 7.488587 666.0161   38.57674 666.0161   38.57674 ?          ?        257.5702 7.488587 ?        ?        ?         ?        
1 1 1 2  55 3  o 268.2471 7.296266 722.1793   39.14404 722.1793   39.14404 ?          ?        268.2471 7.296266 ?        ?        ?         ?        
1 1 1 2  55 4  o 298.3352 9.032454 895.7745   53.89397 895.7745   53.89397 ?          ?        298.3352 9.032454 ?        ?        ?         ?        
1 1 1 2  55 5  o 87.98942 11.28299 78.28809   19.85567 78.28809   19.85567 ?          ?        87.98942 11.28299 ?        ?        ?         ?        
1 1 1 2  55 6  o 191.4570 6.963269 368.7482   26.66333 368.7482   26.66333 ?          ?        191.4570 6.963269 ?        ?        ?         ?        
1 1 1 2  55 7  o 229.6849 7.162789 530.9974   32.90369 530.9974   32.90369 ?          ?        229.6849 7.162789 ?        ?        ?         ?        
1 1 1 2  55 8  o 260.0691 7.307564 681.9006   38.00943 681.9006   38.00943 ?          ?        260.0691 7.307564 ?        ?        ?         ?        
1 1 1 2  55 9  o 220.4613 7.076472 490.1515   31.20177 490.1515   31.20177 ?          ?        220.4613 7.076472 ?        ?        ?         ?        
1 1 1 2  55 10 o 158.9153 6.961222 255.2872   22.12490 255.2872   22.12490 ?          ?        158.9153 6.961222 ?        ?        ?         ?        
1 1 1 2  55 11 o 97.95291 9.266575 98.14376   18.15376 98.14376   18.15376 ?          ?        97.95291 9.266575 ?        ?        ?         ?        
1 1 1 2  55 12 o 61.70844 15.60930 42.54787   19.28837 42.54787   19.28837 ?          ?        61.70844 15.60930 ?        ?        ?         ?        
1 1 1 2  56 0  o 332.7897 11.88072 1117.023   78.85539 1117.023   78.85539 1117.023   78.85539 332.7897 11.88072 332.7897 11.88072 -0.000000 0.000000 
1 1 1 2  56 1  o 109.8587 9.295111 121.4033   20.42298 121.4033   20.42298 ?          ?        109.8587 9.295111 ?        ?        ?         ?        
1 1 1 2  56 2  o 407.0555 9.616391 1667.876   78.28809 1667.876   78.28809 ?          ?        407.0555 9.616391 ?        ?        ?         ?        
1 1 1 2  56 3  o 358.1392 8.553789 1290.619   61.26894 1290.619   61.26894 ?          ?        358.1392 8.553789 ?        ?        ?         ?        
1 1 1 2  56 4  o 245.6352 7.621491 606.4490   37.44213 606.4490   37.44213 ?          ?        245.6352 7.621491 ?        ?        ?         ?        
1 1 1 2  56 5  o 153.6602 7.568488 237.7008   23.25950 237.7008   23.25950 ?          ?        153.6602 7.568488 ?        ?        ?         ?        
1 1 1 2  56 6  o 38.89919 15.80295 6.807660   19.28837 6.807660   19.28837 ?          ?        38.89919 15.80295 ?        ?        ?         ?        
1 1 1 2  56 7  o 209.3252 7.046419 441.3633   29.49986 441.3633   29.49986 ?          ?        209.3252 7.046419 ?        ?        ?         ?        
1 1 1 2  56 8  o 266.9867 7.436954 719.3427   39.71135 719.3427   39.71135 ?          ?        266.9867 7.436954 ?        ?        ?         ?        
1 1 1 2  56 9  o 235.9649 6.972159 562.1992   32.90369 562.1992   32.90369 ?          ?        235.9649 6.972159 ?        ?        ?         ?        
1 1 1 2  56 10 o 155.9399 7.457842 246.7777   23.25950 246.7777   23.25950 ?          ?        155.9399 7.457842 ?        ?        ?         ?        
1 1 1 2  56 11 f 66.23904 14.91845 48.22092   19.28837 48.22092   19.28837 ?          ?        66.23904 14.91845 ?        ?        ?         ?        
1 1 1 2  56 12 o 143.7430 7.498655 210.4701   21.55759 210.4701   21.55759 ?          ?        143.7430 7.498655 ?        ?        ?         ?        
1 1 1 2  57 0  o 324.7758 11.91293 1065.399   77.15348 1065.399   77.15348 1065.399   77.15348 324.7758 11.91293 324.7758 11.91293 -0.000000 0.000000 
1 1 1 2  57 1  o 164.5821 7.755618 272.3064   25.52872 272.3064   25.52872 ?          ?        164.5821 7.755618 ?        ?        ?         ?        
1 1 1 2  57 2  o 536.1901 12.22024 2913.678   131.0475 2913.678   131.0475 ?          ?        536.1901 12.22024 ?        ?        ?         ?        
1 1 1 2  57 3  o 321.6388 8.025268 1040.437   51.62476 1040.437   51.62476 ?          ?        321.6388 8.025268 ?        ?        ?         ?        
1 1 1 2  57 4  o 247.3147 7.340349 615.5258   36.30752 615.5258   36.30752 ?          ?        247.3147 7.340349 ?        ?        ?         ?        
1 1 1 2  57 5  o 39.41927 16.31772 5.105744   20.99029 5.105744   20.99029 ?          ?        39.41927 16.31772 ?        ?        ?         ?        
1 1 1 2  57 6  o 577.2532 13.16907 3414.609   152.0377 3414.609   152.0377 ?          ?        577.2532 13.16907 ?        ?        ?         ?        
1 1 1 2  57 7  o 209.6278 7.171559 443.0652   30.06716 443.0652   30.06716 ?          ?        209.6278 7.171559 ?        ?        ?         ?        
1 1 1 2  57 8  o 260.4567 7.405596 684.7371   38.57674 684.7371   38.57674 ?          ?        260.4567 7.405596 ?        ?        ?         ?        
1 1 1 2  57 9  o 99.78683 9.380527 101.5476   18.72106 101.5476   18.72106 ?          ?        99.78683 9.380527 ?        ?        ?         ?        
1 1 1 2  57 10 o 296.3228 7.562210 890.6688   44.81709 890.6688   44.81709 ?          ?        296.3228 7.562210 ?        ?        ?         ?        
1 1 1 2  57 11 o 184.2728 7.080814 344.9214   26.09603 344.9214   26.09603 ?          ?        184.2728 7.080814 ?        ?        ?         ?        
1 1 1 2  57 12 o 45.41505 16.23722 20.42298   18.72106 20.42298   18.72106 ?          ?        45.41505 16.23722 ?        ?        ?         ?        
1 1 1 2  58 0  o 287.1334 11.20004 832.8038   64.10546 832.8038   64.10546 832.8038   64.10546 287.1334 11.20004 287.1334 11.20004 -0.000000 0.000000 
1 1 1 2  58 1  o 76.31799 14.64600 61.26894   21.55759 61.26894   21.55759 ?          ?        76.31799 14.64600 ?        ?        ?         ?        
1 1 1 2  58 2  o 196.5968 7.214065 388.6039   28.36525 388.6039   28.36525 ?          ?        196.5968 7.214065 ?        ?        ?         ?        
1 1 1 2  58 3  o 82.71324 12.68859 69.77851   20.99029 69.77851   20.99029 ?          ?        82.71324 12.68859 ?        ?        ?         ?        
1 1 1 2  58 4  o 273.7031 7.668998 754.5156   41.98057 754.5156   41.98057 ?          ?        273.7031 7.668998 ?        ?        ?         ?        
1 1 1 2  58 5  o 150.3670 7.922885 228.0566   23.82681 228.0566   23.82681 ?          ?        150.3670 7.922885 ?        ?        ?         ?        
1 1 1 2  58 6  o 71.61234 13.96543 54.46128   19.28837 54.46128   19.28837 ?          ?        71.61234 13.96543 ?        ?        ?         ?        
1 1 1 2  58 7  o 187.3300 7.268093 353.9983   27.23064 353.9983   27.23064 ?          ?        187.3300 7.268093 ?        ?        ?         ?        
1 1 1 2  58 8  o 153.9542 7.738277 239.9700   23.82681 239.9700   23.82681 ?          ?        153.9542 7.738277 ?        ?        ?         ?        
1 1 1 2  58 9  o 34.74675 15.05170 -0.5673050 19.28837 -0.5673050 19.28837 ?          ?        34.74675 15.05170 ?        ?        ?         ?        
1 1 1 2  58 10 f 60.98769 14.59191 40.84595   17.58645 40.84595   17.58645 ?          ?        60.98769 14.59191 ?        ?        ?         ?        
1 1 1 2  58 11 o 152.4008 7.631031 236.5662   23.25950 236.5662   23.25950 ?          ?        152.4008 7.631031 ?        ?        ?         ?        
1 1 1 2  59 0  o 76.01740 24.92364 75.45156   33.47099 75.45156   33.47099 75.45156   33.47099 76.01740 24.92364 76.01740 24.92364 -0.000000 0.000000 
1 1 1 2  59 1  o 150.5870 8.099674 228.6239   24.39412 228.6239   24.39412 ?          ?        150.5870 8.099674 ?        ?        ?         ?        
1 1 1 2  59 2  o 454.3641 10.73769 2093.923   97.57646 2093.923   97.57646 ?          ?        454.3641 10.73769 ?        ?        ?         ?        
1 1 1 2  59 3  o 113.7158 10.47647 131.0475   23.82681 131.0475   23.82681 ?          ?        113.7158 10.47647 ?        ?        ?         ?        
1 1 1 2  59 4  o 30.85635 14.44040 -20.42298  22.12490 -20.42298  22.12490 ?          ?        30.85635 14.44040 ?        ?        ?         ?        
1 1 1 2  59 5  o 327.7996 8.393632 1085.822   55.02858 1085.822   55.02858 ?          ?        327.7996 8.393632 ?        ?        ?         ?        
1 1 1 2  59 6  o 211.0843 7.122075 449.3055   30.06716 449.3055   30.06716 ?          ?        211.0843 7.122075 ?        ?        ?         ?        
1 1 1 2  59 7  o 62.63211 15.83374 42.54787   19.85567 42.54787   19.85567 ?          ?        62.63211 15.83374 ?        ?        ?         ?        
1 1 1 2  59 8  o 60.99438 16.71666 40.84595   20.99029 40.84595   20.99029 ?          ?        60.99438 16.71666 ?        ?        ?         ?        
1 1 1 2  59 9  o 189.3264 7.191452 363.0752   27.23064 363.0752   27.23064 ?          ?        189.3264 7.191452 ?        ?        ?         ?        
1 1 1 2  59 10 o 225.7543 7.287500 517.9495   32.90369 517.9495   32.90369 ?          ?        225.7543 7.287500 ?        ?        ?         ?        
1 1 1 2  59 11 o 75.25356 14.46237 62.40355   20.99029 62.40355   20.99029 ?          ?        75.25356 14.46237 ?        ?        ?         ?        
1 1 1 2  60 0  o 453.1280 15.37549 2089.951   138.9897 2089.951   138.9897 2089.951   138.9897 453.1280 15.37549 453.1280 15.37549 -0.000000 0.000000 
1 1 1 2  60 1  o 319.2104 8.175181 1027.389   52.19205 1027.389   52.19205 ?          ?        319.2104 8.175181 ?        ?        ?         ?        
1 1 1 2  60 2  o 289.0527 7.948671 842.4479   45.95170 842.4479   45.95170 ?          ?        289.0527 7.948671 ?        ?        ?         ?        
1 1 1 2  60 3  o 282.6738 7.827006 806.1404   44.24979 806.1404   44.24979 ?          ?        282.6738 7.827006 ?        ?        ?         ?        
1 1 1 2  60 4  o 155.3988 9.126600 244.5084   28.36525 244.5084   28.36525 ?          ?        155.3988 9.126600 ?        ?        ?         ?        
1 1 1 2  60 5  o 110.4735 8.986623 123.6725   19.85567 123.6725   19.85567 ?          ?        110.4735 8.986623 ?        ?        ?         ?        
1 1 1 2  60 6  o 156.9303 7.230023 248.4796   22.69220 248.4796   22.69220 ?          ?        156.9303 7.230023 ?        ?        ?         ?        
1 1 1 2  60 7  o 69.41821 15.86673 52.75936   21.55759 52.75936   21.55759 ?          ?        69.41821 15.86673 ?        ?        ?         ?        
1 1 1 2  60 8  o 160.9017 7.933018 263.2295   25.52872 263.2295   25.52872 ?          ?        160.9017 7.933018 ?        ?        ?         ?        
1 1 1 2  60 9  o 111.4707 9.924089 127.6436   22.12490 127.6436   22.12490 ?          ?        111.4707 9.924089 ?        ?        ?         ?        
1 1 1 2  60 10 o 132.3606 7.929202 178.7011   20.99029 178.7011   20.99029 ?          ?        132.3606 7.929202 ?        ?        ?         ?        
1 1 1 2  61 0  o 178.1242 11.23918 323.9312   39.71135 323.9312   39.71135 323.9312   39.71135 178.1242 11.23918 178.1242 11.23918 -0.000000 0.000000 
1 1 1 2  61 1  o 205.6815 7.584973 426.6133   31.20177 426.6133   31.20177 ?          ?        205.6815 7.584973 ?        ?        ?         ?        
1 1 1 2  61 2  o 120.4294 9.421374 146.9320   22.69220 146.9320   22.69220 ?          ?        120.4294 9.421374 ?        ?        ?         ?        
1 1 1 2  61 3  o 33.65997 15.17064 -9.644185  21.55759 -9.644185  21.55759 ?          ?        33.65997 15.17064 ?        ?        ?         ?        
1 1 1 2  61 4  o 34.80087 15.37091 -5.105744  20.99029 -5.105744  20.99029 ?          ?        34.80087 15.37091 ?        ?        ?         ?        
1 1 1 2  61 5  o 247.7725 7.326786 619.4970   36.30752 619.4970   36.30752 ?          ?        247.7725 7.326786 ?        ?        ?         ?        
1 1 1 2  61 6  o 238.4234 7.495114 575.2472   35.74022 575.2472   35.74022 ?          ?        238.4234 7.495114 ?        ?        ?         ?        
1 1 1 2  61 7  o 263.3068 7.540891 702.8909   39.71135 702.8909   39.71135 ?          ?        263.3068 7.540891 ?        ?        ?         ?        
1 1 1 2  61 8  o 123.1781 9.671689 155.4416   23.82681 155.4416   23.82681 ?          ?        123.1781 9.671689 ?        ?        ?         ?        
1 1 1 2  61 9  o 85.32616 11.96760 76.01886   20.42298 76.01886   20.42298 ?          ?        85.32616 11.96760 ?        ?        ?         ?        
1 1 1 2  61 10 o 136.3912 7.902852 190.0471   21.55759 190.0471   21.55759 ?          ?        136.3912 7.902852 ?        ?        ?         ?        
1 1 1 2  62 0  o 32.57353 21.35844 -0.5673050 33.47099 -0.5673050 33.47099 -0.5673050 33.47099 32.57353 21.35844 32.57353 21.35844 -0.000000 0.000000 
1 1 1 2  62 1  o 236.1096 7.688698 562.7665   36.30752 562.7665   36.30752 ?          ?        236.1096 7.688698 ?        ?        ?         ?        
1 1 1 2  62 2  o 181.8033 7.489040 333.5753   27.23064 333.5753   27.23064 ?          ?        181.8033 7.489040 ?        ?        ?         ?        
1 1 1 2  62 3  o 455.5919 11.58040 2121.720   105.5187 2121.720   105.5187 ?          ?        455.5919 11.58040 ?        ?        ?         ?        
1 1 1 2  62 4  o 233.5735 7.529302 550.8531   35.17290 550.8531   35.17290 ?          ?        233.5735 7.529302 ?        ?        ?         ?        
1 1 1 2  62 5  o 170.5183 7.818319 294.4313   26.66333 294.4313   26.66333 ?          ?        170.5183 7.818319 ?        ?        ?         ?        
1 1 1 2  62 6  o 46.45953 17.13497 19.28837   20.99029 19.28837   20.99029 ?          ?        46.45953 17.13497 ?        ?        ?         ?        
1 1 1 2  62 7  o 76.53438 15.73513 64.10546   23.25950 64.10546   23.25950 ?          ?        76.53438 15.73513 ?        ?        ?         ?        
1 1 1 2  62 8  o 240.1249 7.442006 585.4587   35.74022 585.4587   35.74022 ?          ?        240.1249 7.442006 ?        ?        ?         ?        
1 1 1 2  62 9  o 35.71327 15.69016 -2.269220  21.55759 -2.269220  21.55759 ?          ?        35.71327 15.69016 ?        ?        ?         ?        
1 1 1 2  62 10 o 213.0151 7.190680 461.7863   30.63447 461.7863   30.63447 ?          ?        213.0151 7.190680 ?        ?        ?         ?        
1 1 1 2  63 0  o 26.54382 18.45592 -23.25950  32.90369 -23.25950  32.90369 -23.25950  32.90369 26.54382 18.45592 26.54382 18.45592 -0.000000 0.000000 
1 1 1 2  63 1  o 237.7109 7.756232 570.7088   36.87482 570.7088   36.87482 ?          ?        237.7109 7.756232 ?        ?        ?         ?        
1 1 1 2  63 2  f 249.7265 7.610211 629.7086   38.00943 629.7086   38.00943 ?          ?        249.7265 7.610211 ?        ?        ?         ?        
1 1 1 2  63 3  o 73.84708 14.73376 58.43241   20.99029 58.43241   20.99029 ?          ?        73.84708 14.73376 ?        ?        ?         ?        
1 1 1 2  63 4  o 99.54723 11.96759 102.1149   23.82681 102.1149   23.82681 ?          ?        99.54723 11.96759 ?        ?        ?         ?        
1 1 1 2  63 5  o 86.33909 12.48426 77.15348   21.55759 77.15348   21.55759 ?          ?        86.33909 12.48426 ?        ?        ?         ?        
1 1 1 2  63 6  o 84.68241 13.06345 74.88425   22.12490 74.88425   22.12490 ?          ?        84.68241 13.06345 ?        ?        ?         ?        
1 1 1 2  63 7  o 126.3261 8.532517 162.8165   21.55759 162.8165   21.55759 ?          ?        126.3261 8.532517 ?        ?        ?         ?        
1 1 1 2  63 8  o 26.20252 12.67731 -30.63447  20.42298 -30.63447  20.42298 ?          ?        26.20252 12.67731 ?        ?        ?         ?        
1 1 1 2  63 9  o 205.5202 7.452909 430.5845   30.63447 430.5845   30.63447 ?          ?        205.5202 7.452909 ?        ?        ?         ?        
1 1 1 2  64 0  o 265.1411 10.95258 714.2369   57.86510 714.2369   57.86510 714.2369   57.86510 265.1411 10.95258 265.1411 10.95258 -0.000000 0.000000 
1 1 1 2  64 1  o 221.4054 7.430642 495.2573   32.90369 495.2573   32.90369 ?          ?        221.4054 7.430642 ?        ?        ?         ?        
1 1 1 2  64 2  f 48.18050 17.60922 20.99029   22.12490 20.99029   22.12490 ?          ?        48.18050 17.60922 ?        ?        ?         ?        
1 1 1 2  64 3  o 114.9167 10.86065 135.5859   24.96142 135.5859   24.96142 ?          ?        114.9167 10.86065 ?        ?        ?         ?        
1 1 1 2  64 4  o 269.7743 7.885829 738.0638   42.54787 738.0638   42.54787 ?          ?        269.7743 7.885829 ?        ?        ?         ?        
1 1 1 2  64 5  o 55.12499 17.46487 32.90369   21.55759 32.90369   21.55759 ?          ?        55.12499 17.46487 ?        ?        ?         ?        
1 1 1 2  64 6  o 157.7741 8.270061 253.5853   26.09603 253.5853   26.09603 ?          ?        157.7741 8.270061 ?        ?        ?         ?        
1 1 1 2  64 7  o 114.6070 9.652505 135.0186   22.12490 135.0186   22.12490 ?          ?        114.6070 9.652505 ?        ?        ?         ?        
1 1 1 2  64 8  o 177.2005 7.683569 319.9600   27.23064 319.9600   27.23064 ?          ?        177.2005 7.683569 ?        ?        ?         ?        
1 1 1 2  65 0  o 22.21244 16.08272 -52.75936  34.03830 -52.75936  34.03830 -52.75936  34.03830 22.21244 16.08272 22.21244 16.08272 -0.000000 0.000000 
1 1 1 2  65 1  o 87.61992 13.59668 79.99000   23.82681 79.99000   23.82681 ?          ?        87.61992 13.59668 ?        ?        ?         ?        
1 1 1 2  65 2  o 110.9827 10.99006 126.5090   24.39412 126.5090   24.39412 ?          ?        110.9827 10.99006 ?        ?        ?         ?        
1 1 1 2  65 3  o 139.7203 10.75977 200.8260   30.06716 200.8260   30.06716 ?          ?        139.7203 10.75977 ?        ?        ?         ?        
1 1 1 2  65 4  o 243.4959 7.455470 601.3433   36.30752 601.3433   36.30752 ?          ?        243.4959 7.455470 ?        ?        ?         ?        
1 1 1 2  65 5  o 78.13081 14.69874 66.37468   22.12490 66.37468   22.12490 ?          ?        78.13081 14.69874 ?        ?        ?         ?        
1 1 1 2  65 6  o 99.67427 12.52150 103.8168   24.96142 103.8168   24.96142 ?          ?        99.67427 12.52150 ?        ?        ?         ?        
1 1 1 2  65 7  o 85.37148 12.62576 76.58617   21.55759 76.58617   21.55759 ?          ?        85.37148 12.62576 ?        ?        ?         ?        
1 1 1 2  65 8  o 228.7599 7.563740 533.8340   34.60560 533.8340   34.60560 ?          ?        228.7599 7.563740 ?        ?        ?         ?        
1 1 1 2  66 0  o 135.3950 13.87990 193.4510   36.87482 193.4510   36.87482 193.4510   36.87482 135.3950 13.87990 135.3950 13.87990 -0.000000 0.000000 
1 1 1 2  66 1  o 316.5317 8.513203 1021.149   53.89397 1021.149   53.89397 ?          ?        316.5317 8.513203 ?        ?        ?         ?        
1 1 1 2  66 2  o 74.89004 15.99793 61.83624   23.25950 61.83624   23.25950 ?          ?        74.89004 15.99793 ?        ?        ?         ?        
1 1 1 2  66 3  o 49.99842 18.07644 23.82681   23.25950 23.82681   23.25950 ?          ?        49.99842 18.07644 ?        ?        ?         ?        
1 1 1 2  66 4  f 96.57444 12.04227 97.00916   23.25950 97.00916   23.25950 ?          ?        96.57444 12.04227 ?        ?        ?         ?        
1 1 1 2  66 5  o 223.4921 7.615101 507.7379   34.03830 507.7379   34.03830 ?          ?        223.4921 7.615101 ?        ?        ?         ?        
1 1 1 2  66 6  o 69.16174 16.59282 53.89397   22.69220 53.89397   22.69220 ?          ?        69.16174 16.59282 ?        ?        ?         ?        
1 1 1 2  66 7  o 73.34615 15.55511 60.13433   22.12490 60.13433   22.12490 ?          ?        73.34615 15.55511 ?        ?        ?         ?        
1 1 1 2  67 0  o 383.9706 13.92822 1515.839   106.6533 1515.839   106.6533 1515.839   106.6533 383.9706 13.92822 383.9706 13.92822 -0.000000 0.000000 
1 1 1 2  67 1  o 195.1094 7.995970 386.9020   31.20177 386.9020   31.20177 ?          ?        195.1094 7.995970 ?        ?        ?         ?        
1 1 1 2  67 2  o 189.0982 8.250153 364.2098   31.20177 364.2098   31.20177 ?          ?        189.0982 8.250153 ?        ?        ?         ?        
1 1 1 2  67 3  o 47.82246 17.95730 20.42298   23.25950 20.42298   23.25950 ?          ?        47.82246 17.95730 ?        ?        ?         ?        
1 1 1 2  67 4  o 196.9683 7.776499 394.8442   30.63447 394.8442   30.63447 ?          ?        196.9683 7.776499 ?        ?        ?         ?        
1 1 1 2  67 5  o 77.01295 15.64544 65.80738   23.25950 65.80738   23.25950 ?          ?        77.01295 15.64544 ?        ?        ?         ?        
1 1 1 2  67 6  o 32.30892 14.92708 -14.74993  22.69220 -14.74993  22.69220 ?          ?        32.30892 14.92708 ?        ?        ?         ?        
1 1 1 2  67 7  o 104.1644 10.89249 112.8937   22.69220 112.8937   22.69220 ?          ?        104.1644 10.89249 ?        ?        ?         ?        
1 1 1 2  68 0  o 50.23278 25.87658 40.84595   32.90369 40.84595   32.90369 40.84595   32.90369 50.23278 25.87658 50.23278 25.87658 -0.000000 0.000000 
1 1 1 2  68 1  o 62.04903 17.80714 43.11518   23.25950 43.11518   23.25950 ?          ?        62.04903 17.80714 ?        ?        ?         ?        
1 1 1 2  68 2  o 33.20348 15.17081 -12.48071  22.69220 -12.48071  22.69220 ?          ?        33.20348 15.17081 ?        ?        ?         ?        
1 1 1 2  68 3  o 112.5292 10.58694 131.0475   23.82681 131.0475   23.82681 ?          ?        112.5292 10.58694 ?        ?        ?         ?        
1 1 1 2  68 4  o 82.93059 14.90788 75.45156   23.82681 75.45156   23.82681 ?          ?        82.93059 14.90788 ?        ?        ?         ?        
1 1 1 2  68 5  o 221.0027 7.444182 497.5265   32.90369 497.5265   32.90369 ?          ?        221.0027 7.444182 ?        ?        ?         ?        
1 1 1 2  68 6  o 230.9060 7.493439 543.4781   34.60560 543.4781   34.60560 ?          ?        230.9060 7.493439 ?        ?        ?         ?        
1 1 1 2  69 0  o 26.99062 18.69058 -17.58645  32.33638 -17.58645  32.33638 -17.58645  32.33638 26.99062 18.69058 26.99062 18.69058 -0.000000 0.000000 
1 1 1 2  69 1  o 107.4848 11.34770 120.2687   24.39412 120.2687   24.39412 ?          ?        107.4848 11.34770 ?        ?        ?         ?        
1 1 1 2  69 2  o 121.2421 11.46381 153.1723   27.79794 153.1723   27.79794 ?          ?        121.2421 11.46381 ?        ?        ?         ?        
1 1 1 2  69 3  o 63.78328 19.02943 46.51900   26.09603 46.51900   26.09603 ?          ?        63.78328 19.02943 ?        ?        ?         ?        
1 1 1 2  69 4  o 187.6503 8.162647 360.2386   30.63447 360.2386   30.63447 ?          ?        187.6503 8.162647 ?        ?        ?         ?        
1 1 1 2  69 5  o 43.83096 17.78415 12.48071   24.39412 12.48071   24.39412 ?          ?        43.83096 17.78415 ?        ?        ?         ?        
1 1 1 2  70 0  o 38.73122 23.76024 18.15376   34.60560 18.15376   34.60560 18.15376   34.60560 38.73122 23.76024 38.73122 23.76024 -0.000000 0.000000 
1 1 1 2  70 1  o 82.32131 16.07907 75.45156   25.52872 75.45156   25.52872 ?          ?        82.32131 16.07907 ?        ?        ?         ?        
1 1 1 2  70 2  o 90.12148 14.16351 86.79766   25.52872 86.79766   25.52872 ?          ?        90.12148 14.16351 ?        ?        ?         ?        
1 1 1 2  70 3  o 104.6079 12.20210 115.1629   25.52872 115.1629   25.52872 ?          ?        104.6079 12.20210 ?        ?        ?         ?        
1 1 1 2  70 4  o 111.2608 11.47247 129.3455   25.52872 129.3455   25.52872 ?          ?        111.2608 11.47247 ?        ?        ?         ?        
1 1 1 2  71 0  o 69.36838 27.35347 72.04772   36.30752 72.04772   36.30752 72.04772   36.30752 69.36838 27.35347 69.36838 27.35347 -0.000000 0.000000 
1 1 1 2  71 1  o 106.6762 12.23143 119.7014   26.09603 119.7014   26.09603 ?          ?        106.6762 12.23143 ?        ?        ?         ?        
1 1 1 2  71 2  o 47.44416 18.97886 17.01915   27.23064 17.01915   27.23064 ?          ?        47.44416 18.97886 ?        ?        ?         ?        
1 1 1 3  0  1  f 250.8296 5.660698 630.2758   28.36525 630.2758   28.36525 630.2758   28.36525 250.8296 5.660698 250.8296 5.660698 -0.000000 0.000000 
1 1 1 3  0  2  o 22.10930 7.259584 6.240355   2.836525 6.240355   2.836525 6.240355   2.836525 22.10930 7.259584 22.10930 7.259584 -0.000000 0.000000 
1 1 1 3  0  4  o 70.88824 2.810573 50.49014   3.971134 50.49014   3.971134 50.49014   3.971134 70.88824 2.810573 70.88824 2.810573 -0.000000 0.000000 
1 1 1 3  0  5  o 495.0323 10.32396 2455.296   102.1149 2455.296   102.1149 2455.296   102.1149 495.0323 10.32396 495.0323 10.32396 -0.000000 0.000000 
1 1 1 3  0  6  o 188.4136 4.522218 355.7002   17.01915 355.7002   17.01915 355.7002   17.01915 188.4136 4.522218 188.4136 4.522218 -0.000000 0.000000 
1 1 1 3  0  7  o 532.2680 11.25567 2842.765   119.7014 2842.765   119.7014 2842.765   119.7014 532.2680 11.25567 532.2680 11.25567 -0.000000 0.000000 
1 1 1 3  0  8  o 20.03701 10.99972 5.673049   6.240355 5.673049   6.240355 5.673049   6.240355 20.03701 10.99972 20.03701 10.99972 -0.000000 0.000000 
1 1 1 3  0  9  o 434.1631 9.286767 1890.260   80.55730 1890.260   80.55730 1890.260   80.55730 434.1631 9.286767 434.1631 9.286767 -0.000000 0.000000 
1 1 1 3  0  10 o 155.4184 7.520434 243.3738   23.25950 243.3738   23.25950 243.3738   23.25950 155.4184 7.520434 155.4184 7.520434 -0.000000 0.000000 
1 1 1 3  0  11 o 447.9464 12.87803 2015.067   115.1629 2015.067   115.1629 2015.067   115.1629 447.9464 12.87803 447.9464 12.87803 -0.000000 0.000000 
1 1 1 3  0  12 o 22.69152 14.09617 3.971134   12.48071 3.971134   12.48071 3.971134   12.48071 22.69152 14.09617 22.69152 14.09617 -0.000000 0.000000 
1 1 1 3  0  13 o 321.3647 10.35059 1037.601   66.37468 1037.601   66.37468 1037.601   66.37468 321.3647 10.35059 321.3647 10.35059 -0.000000 0.000000 
1 1 1 3  0  14 o 150.7137 7.760045 229.1912   23.25950 229.1912   23.25950 229.1912   23.25950 150.7137 7.760045 150.7137 7.760045 -0.000000 0.000000 
1 1 1 3  0  15 o 438.0773 14.01742 1933.943   122.5379 1933.943   122.5379 1933.943   122.5379 438.0773 14.01742 438.0773 14.01742 -0.000000 0.000000 
1 1 1 3  0  16 o 144.3378 8.511947 211.0374   24.39412 211.0374   24.39412 211.0374   24.39412 144.3378 8.511947 144.3378 8.511947 -0.000000 0.000000 
1 1 1 3  0  17 o 158.2231 8.477178 253.5853   26.66333 253.5853   26.66333 253.5853   26.66333 158.2231 8.477178 158.2231 8.477178 -0.000000 0.000000 
1 1 1 3  0  18 o 129.9581 9.711493 173.0280   24.96142 173.0280   24.96142 173.0280   24.96142 129.9581 9.711493 129.9581 9.711493 -0.000000 0.000000 
1 1 1 3  0  19 o 120.4079 10.02870 149.7685   23.82681 149.7685   23.82681 149.7685   23.82681 120.4079 10.02870 120.4079 10.02870 -0.000000 0.000000 
1 1 1 3  0  20 o 94.71609 12.31064 96.44185   22.69220 96.44185   22.69220 96.44185   22.69220 94.71609 12.31064 94.71609 12.31064 -0.000000 0.000000 
1 1 1 3  1  0  o 21.67423 6.056375 5.673049   2.269220 5.673049   2.269220 5.673049   2.269220 21.67423 6.056375 21.67423 6.056375 -0.000000 0.000000 
1 1 1 3  1  1  o 323.4240 6.226911 1046.678   40.27865 1046.678   40.27865 ?          ?        323.4240 6.226911 ?        ?        ?         ?        
1 1 1 3  1  2  o 50.52386 2.245691 25.52872   2.269220 25.52872   2.269220 ?          ?        50.52386 2.245691 ?        ?        ?         ?        
1 1 1 3  1  3  o 358.8553 5.374972 1288.349   38.57674 1288.349   38.57674 ?          ?        358.8553 5.374972 ?        ?        ?         ?        
1 1 1 3  1  4  o 125.3535 2.262821 157.1435   5.673049 157.1435   5.673049 ?          ?        125.3535 2.262821 ?        ?        ?         ?        
1 1 1 3  1  5  o 1457.314 22.48098 21364.71   655.2372 21364.71   655.2372 ?          ?        1457.314 22.48098 ?        ?        ?         ?        
1 1 1 3  1  6  o 147.7745 2.687293 218.4124   7.942269 218.4124   7.942269 ?          ?        147.7745 2.687293 ?        ?        ?         ?        
1 1 1 3  1  7  o 252.5621 4.043160 638.2181   20.42298 638.2181   20.42298 ?          ?        252.5621 4.043160 ?        ?        ?         ?        
1 1 1 3  1  8  o 144.2713 2.949156 208.2009   8.509575 208.2009   8.509575 ?          ?        144.2713 2.949156 ?        ?        ?         ?        
1 1 1 3  1  9  o 490.2986 7.810156 2408.777   76.58617 2408.777   76.58617 ?          ?        490.2986 7.810156 ?        ?        ?         ?        
1 1 1 3  1  10 o 252.7603 6.172207 639.3527   31.20177 639.3527   31.20177 ?          ?        252.7603 6.172207 ?        ?        ?         ?        
1 1 1 3  1  11 o 616.7591 12.32554 3816.260   152.0377 3816.260   152.0377 ?          ?        616.7591 12.32554 ?        ?        ?         ?        
1 1 1 3  1  12 o 281.4767 6.449472 793.0923   36.30752 793.0923   36.30752 ?          ?        281.4767 6.449472 ?        ?        ?         ?        
1 1 1 3  1  13 o 101.5548 6.144816 103.2495   12.48071 103.2495   12.48071 ?          ?        101.5548 6.144816 ?        ?        ?         ?        
1 1 1 3  1  14 o 137.9924 5.344473 190.6145   14.74993 190.6145   14.74993 ?          ?        137.9924 5.344473 ?        ?        ?         ?        
1 1 1 3  1  15 o 467.5868 10.43405 2197.740   97.57646 2197.740   97.57646 ?          ?        467.5868 10.43405 ?        ?        ?         ?        
1 1 1 3  1  16 o 87.64594 7.767228 77.15348   13.61532 77.15348   13.61532 ?          ?        87.64594 7.767228 ?        ?        ?         ?        
1 1 1 3  1  17 o 203.4720 5.994465 415.8346   24.39412 415.8346   24.39412 ?          ?        203.4720 5.994465 ?        ?        ?         ?        
1 1 1 3  1  18 o 89.55452 8.235168 81.12460   14.74993 81.12460   14.74993 ?          ?        89.55452 8.235168 ?        ?        ?         ?        
1 1 1 3  1  19 o 107.1519 7.147437 116.2975   15.31723 116.2975   15.31723 ?          ?        107.1519 7.147437 ?        ?        ?         ?        
1 1 1 3  1  20 o 59.39791 12.78238 38.57674   14.74993 38.57674   14.74993 ?          ?        59.39791 12.78238 ?        ?        ?         ?        
1 1 1 3  2  0  o 96.34400 2.654201 93.03801   5.105744 93.03801   5.105744 93.03801   5.105744 96.34400 2.654201 96.34400 2.654201 -0.000000 0.000000 
1 1 1 3  2  2  o 135.3564 2.933837 183.2395   7.942269 183.2395   7.942269 ?          ?        135.3564 2.933837 ?        ?        ?         ?        
1 1 1 3  2  3  o 1184.746 19.77613 14120.79   468.5939 14120.79   468.5939 ?          ?        1184.746 19.77613 ?        ?        ?         ?        
1 1 1 3  2  4  f 240.0615 3.781064 576.3818   18.15376 576.3818   18.15376 ?          ?        240.0615 3.781064 ?        ?        ?         ?        
1 1 1 3  2  5  o 574.9954 8.484978 3309.090   97.57646 3309.090   97.57646 ?          ?        574.9954 8.484978 ?        ?        ?         ?        
1 1 1 3  2  6  o 88.47501 2.244213 78.28809   3.971134 78.28809   3.971134 ?          ?        88.47501 2.244213 ?        ?        ?         ?        
1 1 1 3  2  7  o 550.0081 8.148441 3031.678   89.63419 3031.678   89.63419 ?          ?        550.0081 8.148441 ?        ?        ?         ?        
1 1 1 3  2  8  o 38.38387 5.911911 14.74993   4.538440 14.74993   4.538440 ?          ?        38.38387 5.911911 ?        ?        ?         ?        
1 1 1 3  2  9  o 145.0433 3.715716 210.4701   10.77879 210.4701   10.77879 ?          ?        145.0433 3.715716 ?        ?        ?         ?        
1 1 1 3  2  10 o 47.01702 6.636272 22.12490   6.240355 22.12490   6.240355 ?          ?        47.01702 6.636272 ?        ?        ?         ?        
1 1 1 3  2  11 o 226.7720 5.128390 514.5456   23.25950 514.5456   23.25950 ?          ?        226.7720 5.128390 ?        ?        ?         ?        
1 1 1 3  2  12 o 321.2076 7.241269 1033.062   46.51900 1033.062   46.51900 ?          ?        321.2076 7.241269 ?        ?        ?         ?        
1 1 1 3  2  13 o 151.7074 5.048281 230.3258   15.31723 230.3258   15.31723 ?          ?        151.7074 5.048281 ?        ?        ?         ?        
1 1 1 3  2  14 o 263.8517 6.450270 697.2178   34.03830 697.2178   34.03830 ?          ?        263.8517 6.450270 ?        ?        ?         ?        
1 1 1 3  2  15 o 407.6612 9.810843 1669.578   79.99000 1669.578   79.99000 ?          ?        407.6612 9.810843 ?        ?        ?         ?        
1 1 1 3  2  16 o 105.8111 6.701860 112.3264   14.18262 112.3264   14.18262 ?          ?        105.8111 6.701860 ?        ?        ?         ?        
1 1 1 3  2  17 o 292.6538 7.075470 861.7362   41.41326 861.7362   41.41326 ?          ?        292.6538 7.075470 ?        ?        ?         ?        
1 1 1 3  2  18 o 167.5824 5.924151 282.5179   19.85567 282.5179   19.85567 ?          ?        167.5824 5.924151 ?        ?        ?         ?        
1 1 1 3  2  19 f 362.7270 8.523800 1339.974   61.83624 1339.974   61.83624 ?          ?        362.7270 8.523800 ?        ?        ?         ?        
1 1 1 3  2  20 o 121.3378 7.013126 149.7685   17.01915 149.7685   17.01915 ?          ?        121.3378 7.013126 ?        ?        ?         ?        
1 1 1 3  3  0  o 39.34919 3.663561 15.88454   2.836525 15.88454   2.836525 15.88454   2.836525 39.34919 3.663561 39.34919 3.663561 -0.000000 0.000000 
1 1 1 3  3  1  o 537.8270 7.963812 2895.524   85.66305 2895.524   85.66305 ?          ?        537.8270 7.963812 ?        ?        ?         ?        
1 1 1 3  3  2  o 153.9829 2.578945 237.1335   7.942269 237.1335   7.942269 ?          ?        153.9829 2.578945 ?        ?        ?         ?        
1 1 1 3  3  3  o 944.7101 14.65237 8953.774   276.8448 8953.774   276.8448 ?          ?        944.7101 14.65237 ?        ?        ?         ?        
1 1 1 3  3  4  o 362.7331 5.395709 1316.147   39.14404 1316.147   39.14404 ?          ?        362.7331 5.395709 ?        ?        ?         ?        
1 1 1 3  3  5  o 1235.393 19.12610 15333.12   472.5651 15333.12   472.5651 ?          ?        1235.393 19.12610 ?        ?        ?         ?        
1 1 1 3  3  6  o 140.6967 2.620873 197.9895   7.374964 197.9895   7.374964 ?          ?        140.6967 2.620873 ?        ?        ?         ?        
1 1 1 3  3  7  o 221.3435 3.716360 490.1515   16.45185 490.1515   16.45185 ?          ?        221.3435 3.716360 ?        ?        ?         ?        
1 1 1 3  3  8  o 248.0295 4.117046 615.5258   20.42298 615.5258   20.42298 ?          ?        248.0295 4.117046 ?        ?        ?         ?        
1 1 1 3  3  9  o 222.3459 4.465041 494.6899   19.85567 494.6899   19.85567 ?          ?        222.3459 4.465041 ?        ?        ?         ?        
1 1 1 3  3  10 o 169.2336 4.022642 286.4890   13.61532 286.4890   13.61532 ?          ?        169.2336 4.022642 ?        ?        ?         ?        
1 1 1 3  3  11 o 297.6513 6.194298 886.6976   36.87482 886.6976   36.87482 ?          ?        297.6513 6.194298 ?        ?        ?         ?        
1 1 1 3  3  12 o 158.6664 4.648096 251.8834   14.74993 251.8834   14.74993 ?          ?        158.6664 4.648096 ?        ?        ?         ?        
1 1 1 3  3  13 o 660.5394 14.34281 4389.806   189.4799 4389.806   189.4799 ?          ?        660.5394 14.34281 ?        ?        ?         ?        
1 1 1 3  3  14 o 307.3360 7.106633 946.2647   43.68248 946.2647   43.68248 ?          ?        307.3360 7.106633 ?        ?        ?         ?        
1 1 1 3  3  15 o 798.9888 18.74476 6493.372   299.5370 6493.372   299.5370 ?          ?        798.9888 18.74476 ?        ?        ?         ?        
1 1 1 3  3  16 o 105.7946 6.971021 112.3264   14.74993 112.3264   14.74993 ?          ?        105.7946 6.971021 ?        ?        ?         ?        
1 1 1 3  3  17 o 220.7475 6.167825 489.5842   27.23064 489.5842   27.23064 ?          ?        220.7475 6.167825 ?        ?        ?         ?        
1 1 1 3  3  18 o 95.67669 7.708215 92.47070   14.74993 92.47070   14.74993 ?          ?        95.67669 7.708215 ?        ?        ?         ?        
1 1 1 3  3  19 o 289.2371 7.159051 847.5536   41.41326 847.5536   41.41326 ?          ?        289.2371 7.159051 ?        ?        ?         ?        
1 1 1 3  3  20 o 64.02704 11.96256 44.24979   14.74993 44.24979   14.74993 ?          ?        64.02704 11.96256 ?        ?        ?         ?        
1 1 1 3  4  0  f 66.74329 2.987803 44.81709   3.971134 44.81709   3.971134 44.81709   3.971134 66.74329 2.987803 66.74329 2.987803 -0.000000 0.000000 
1 1 1 3  4  1  o 822.3442 11.96913 6778.160   196.8548 6778.160   196.8548 ?          ?        822.3442 11.96913 ?        ?        ?         ?        
1 1 1 3  4  2  o 92.85771 1.832820 86.23035   3.403830 86.23035   3.403830 ?          ?        92.85771 1.832820 ?        ?        ?         ?        
1 1 1 3  4  3  o 515.3406 8.201221 2658.391   84.52843 2658.391   84.52843 ?          ?        515.3406 8.201221 ?        ?        ?         ?        
1 1 1 3  4  4  o 255.3985 4.220383 652.4007   21.55759 652.4007   21.55759 ?          ?        255.3985 4.220383 ?        ?        ?         ?        
1 1 1 3  4  5  o 533.1931 9.097000 2846.169   97.00916 2846.169   97.00916 ?          ?        533.1931 9.097000 ?        ?        ?         ?        
1 1 1 3  4  6  o 198.8229 3.281315 395.4115   13.04801 395.4115   13.04801 ?          ?        198.8229 3.281315 ?        ?        ?         ?        
1 1 1 3  4  7  o 457.9822 6.874815 2100.730   62.97085 2100.730   62.97085 ?          ?        457.9822 6.874815 ?        ?        ?         ?        
1 1 1 3  4  8  o 289.1701 4.610321 836.7748   26.66333 836.7748   26.66333 ?          ?        289.1701 4.610321 ?        ?        ?         ?        
1 1 1 3  4  9  o 425.0050 6.407134 1808.568   54.46128 1808.568   54.46128 ?          ?        425.0050 6.407134 ?        ?        ?         ?        
1 1 1 3  4  10 o 165.1644 3.950008 272.8737   13.04801 272.8737   13.04801 ?          ?        165.1644 3.950008 ?        ?        ?         ?        
1 1 1 3  4  11 o 548.0920 12.73117 3014.659   139.5570 3014.659   139.5570 ?          ?        548.0920 12.73117 ?        ?        ?         ?        
1 1 1 3  4  12 o 177.2311 4.801401 314.2870   17.01915 314.2870   17.01915 ?          ?        177.2311 4.801401 ?        ?        ?         ?        
1 1 1 3  4  13 o 326.8283 7.463894 1069.937   48.78823 1069.937   48.78823 ?          ?        326.8283 7.463894 ?        ?        ?         ?        
1 1 1 3  4  14 o 287.4590 6.808631 827.6979   39.14404 827.6979   39.14404 ?          ?        287.4590 6.808631 ?        ?        ?         ?        
1 1 1 3  4  15 o 353.8417 9.539475 1257.715   67.50929 1257.715   67.50929 ?          ?        353.8417 9.539475 ?        ?        ?         ?        
1 1 1 3  4  16 o 348.7994 8.050930 1222.542   56.16319 1222.542   56.16319 ?          ?        348.7994 8.050930 ?        ?        ?         ?        
1 1 1 3  4  17 o 195.2558 5.956163 382.9308   23.25950 382.9308   23.25950 ?          ?        195.2558 5.956163 ?        ?        ?         ?        
1 1 1 3  4  18 o 227.8212 6.225330 522.4879   28.36525 522.4879   28.36525 ?          ?        227.8212 6.225330 ?        ?        ?         ?        
1 1 1 3  4  19 o 212.3934 6.543976 456.1132   27.79794 456.1132   27.79794 ?          ?        212.3934 6.543976 ?        ?        ?         ?        
1 1 1 3  4  20 o 49.58577 16.05912 26.66333   18.15376 26.66333   18.15376 ?          ?        49.58577 16.05912 ?        ?        ?         ?        
1 1 1 3  5  0  o 7.039085 5.018430 -3.403830  2.836525 -3.403830  2.836525 -3.403830  2.836525 7.039085 5.018430 7.039085 5.018430 -0.000000 0.000000 
1 1 1 3  5  1  o 1059.570 16.43711 11276.32   348.3253 11276.32   348.3253 ?          ?        1059.570 16.43711 ?        ?        ?         ?        
1 1 1 3  5  2  o 170.2511 2.832341 289.8928   9.644185 289.8928   9.644185 ?          ?        170.2511 2.832341 ?        ?        ?         ?        
1 1 1 3  5  3  o 643.3420 9.479450 4144.163   121.9706 4144.163   121.9706 ?          ?        643.3420 9.479450 ?        ?        ?         ?        
1 1 1 3  5  4  o 245.5490 4.158636 603.0452   20.42298 603.0452   20.42298 ?          ?        245.5490 4.158636 ?        ?        ?         ?        
1 1 1 3  5  5  o 248.9775 4.215298 620.0643   20.99029 620.0643   20.99029 ?          ?        248.9775 4.215298 ?        ?        ?         ?        
1 1 1 3  5  6  o 349.6436 6.165589 1223.677   43.11518 1223.677   43.11518 ?          ?        349.6436 6.165589 ?        ?        ?         ?        
1 1 1 3  5  7  o 381.9208 5.793058 1460.243   44.24979 1460.243   44.24979 ?          ?        381.9208 5.793058 ?        ?        ?         ?        
1 1 1 3  5  8  o 69.42905 3.268401 48.22092   4.538440 48.22092   4.538440 ?          ?        69.42905 3.268401 ?        ?        ?         ?        
1 1 1 3  5  9  o 535.5413 7.944835 2873.400   85.09574 2873.400   85.09574 ?          ?        535.5413 7.944835 ?        ?        ?         ?        
1 1 1 3  5  10 o 189.4670 4.341613 359.1040   16.45185 359.1040   16.45185 ?          ?        189.4670 4.341613 ?        ?        ?         ?        
1 1 1 3  5  11 o 391.9890 8.683484 1539.098   68.07660 1539.098   68.07660 ?          ?        391.9890 8.683484 ?        ?        ?         ?        
1 1 1 3  5  12 f 202.8769 5.173158 411.8634   20.99029 411.8634   20.99029 ?          ?        202.8769 5.173158 ?        ?        ?         ?        
1 1 1 3  5  13 o 209.9858 5.673433 441.3633   23.82681 441.3633   23.82681 ?          ?        209.9858 5.673433 ?        ?        ?         ?        
1 1 1 3  5  14 f 106.9719 6.363969 114.5956   13.61532 114.5956   13.61532 ?          ?        106.9719 6.363969 ?        ?        ?         ?        
1 1 1 3  5  15 o 309.0648 7.801102 958.1780   48.22092 958.1780   48.22092 ?          ?        309.0648 7.801102 ?        ?        ?         ?        
1 1 1 3  5  16 o 243.0667 6.651752 592.8337   32.33638 592.8337   32.33638 ?          ?        243.0667 6.651752 ?        ?        ?         ?        
1 1 1 3  5  17 o 40.18116 14.40791 14.18262   14.74993 14.18262   14.74993 ?          ?        40.18116 14.40791 ?        ?        ?         ?        
1 1 1 3  5  18 o 130.8118 6.722042 172.4607   17.58645 172.4607   17.58645 ?          ?        130.8118 6.722042 ?        ?        ?         ?        
1 1 1 3  5  19 o 58.74380 13.33869 37.44213   15.31723 37.44213   15.31723 ?          ?        58.74380 13.33869 ?        ?        ?         ?        
1 1 1 3  5  20 o 41.61612 14.70628 17.01915   15.31723 17.01915   15.31723 ?          ?        41.61612 14.70628 ?        ?        ?         ?        
1 1 1 3  6  0  o 185.4053 4.288834 344.3541   15.88454 344.3541   15.88454 344.3541   15.88454 185.4053 4.288834 185.4053 4.288834 -0.000000 0.000000 
1 1 1 3  6  1  o 803.9463 11.78436 6478.055   189.4799 6478.055   189.4799 ?          ?        803.9463 11.78436 ?        ?        ?         ?        
1 1 1 3  6  2  o 286.6631 4.452740 822.0249   25.52872 822.0249   25.52872 ?          ?        286.6631 4.452740 ?        ?        ?         ?        
1 1 1 3  6  3  o 352.1660 5.396522 1240.696   38.00943 1240.696   38.00943 ?          ?        352.1660 5.396522 ?        ?        ?         ?        
1 1 1 3  6  4  o 447.0127 7.170430 1999.183   64.10546 1999.183   64.10546 ?          ?        447.0127 7.170430 ?        ?        ?         ?        
1 1 1 3  6  5  o 596.5930 10.12717 3565.512   120.8360 3565.512   120.8360 ?          ?        596.5930 10.12717 ?        ?        ?         ?        
1 1 1 3  6  6  o 191.3998 3.853171 366.4790   14.74993 366.4790   14.74993 ?          ?        191.3998 3.853171 ?        ?        ?         ?        
1 1 1 3  6  7  o 609.9282 11.48695 3736.270   140.1243 3736.270   140.1243 ?          ?        609.9282 11.48695 ?        ?        ?         ?        
1 1 1 3  6  8  o 111.7025 2.793292 124.8071   6.240355 124.8071   6.240355 ?          ?        111.7025 2.793292 ?        ?        ?         ?        
1 1 1 3  6  9  o 574.2668 8.446348 3304.551   97.00916 3304.551   97.00916 ?          ?        574.2668 8.446348 ?        ?        ?         ?        
1 1 1 3  6  10 o 238.3622 5.117028 568.4396   24.39412 568.4396   24.39412 ?          ?        238.3622 5.117028 ?        ?        ?         ?        
1 1 1 3  6  11 o 561.3862 11.31808 3160.456   127.0763 3160.456   127.0763 ?          ?        561.3862 11.31808 ?        ?        ?         ?        
1 1 1 3  6  12 o 225.6096 5.909175 509.4399   26.66333 509.4399   26.66333 ?          ?        225.6096 5.909175 ?        ?        ?         ?        
1 1 1 3  6  13 o 906.6545 22.83850 8348.460   414.1326 8348.460   414.1326 ?          ?        906.6545 22.83850 ?        ?        ?         ?        
1 1 1 3  6  14 f 340.6104 8.244492 1162.975   56.16319 1162.975   56.16319 ?          ?        340.6104 8.244492 ?        ?        ?         ?        
1 1 1 3  6  15 o 371.6435 9.006209 1387.061   66.94199 1387.061   66.94199 ?          ?        371.6435 9.006209 ?        ?        ?         ?        
1 1 1 3  6  16 o 391.0273 9.575323 1540.233   74.88425 1540.233   74.88425 ?          ?        391.0273 9.575323 ?        ?        ?         ?        
1 1 1 3  6  17 o 68.37848 13.33538 49.35553   17.58645 49.35553   17.58645 ?          ?        68.37848 13.33538 ?        ?        ?         ?        
1 1 1 3  6  18 o 38.73827 14.56722 11.91340   15.31723 11.91340   15.31723 ?          ?        38.73827 14.56722 ?        ?        ?         ?        
1 1 1 3  6  19 o 227.2626 7.988012 525.3243   36.30752 525.3243   36.30752 ?          ?        227.2626 7.988012 ?        ?        ?         ?        
1 1 1 3  6  20 o 108.2520 8.646984 120.2687   18.72106 120.2687   18.72106 ?          ?        108.2520 8.646984 ?        ?        ?         ?        
1 1 1 3  7  0  o 154.9399 3.849796 240.5373   11.91340 240.5373   11.91340 240.5373   11.91340 154.9399 3.849796 154.9399 3.849796 -0.000000 0.000000 
1 1 1 3  7  1  o 529.8633 7.869372 2810.429   83.39383 2810.429   83.39383 ?          ?        529.8633 7.869372 ?        ?        ?         ?        
1 1 1 3  7  2  o 212.6157 3.468683 452.1420   14.74993 452.1420   14.74993 ?          ?        212.6157 3.468683 ?        ?        ?         ?        
1 1 1 3  7  3  o 660.0177 9.712688 4361.440   128.2109 4361.440   128.2109 ?          ?        660.0177 9.712688 ?        ?        ?         ?        
1 1 1 3  7  4  o 540.9122 8.547664 2927.861   92.47070 2927.861   92.47070 ?          ?        540.9122 8.547664 ?        ?        ?         ?        
1 1 1 3  7  5  o 672.5822 10.62776 4533.901   142.9609 4533.901   142.9609 ?          ?        672.5822 10.62776 ?        ?        ?         ?        
1 1 1 3  7  6  o 272.9329 5.092450 745.4387   27.79794 745.4387   27.79794 ?          ?        272.9329 5.092450 ?        ?        ?         ?        
1 1 1 3  7  7  o 786.2640 13.42027 6218.796   211.0374 6218.796   211.0374 ?          ?        786.2640 13.42027 ?        ?        ?         ?        
1 1 1 3  7  8  o 116.8895 4.368010 136.7205   10.21149 136.7205   10.21149 ?          ?        116.8895 4.368010 ?        ?        ?         ?        
1 1 1 3  7  9  o 317.8919 5.799900 1011.505   36.87482 1011.505   36.87482 ?          ?        317.8919 5.799900 ?        ?        ?         ?        
1 1 1 3  7  10 o 294.6713 7.123288 869.1111   41.98057 869.1111   41.98057 ?          ?        294.6713 7.123288 ?        ?        ?         ?        
1 1 1 3  7  11 o 411.4263 9.721061 1696.242   79.99000 1696.242   79.99000 ?          ?        411.4263 9.721061 ?        ?        ?         ?        
1 1 1 3  7  12 o 294.2292 7.230394 866.8420   42.54787 866.8420   42.54787 ?          ?        294.2292 7.230394 ?        ?        ?         ?        
1 1 1 3  7  13 o 141.6508 5.406691 200.8260   15.31723 200.8260   15.31723 ?          ?        141.6508 5.406691 ?        ?        ?         ?        
1 1 1 3  7  14 o 68.95608 7.815695 47.65361   10.77879 47.65361   10.77879 ?          ?        68.95608 7.815695 ?        ?        ?         ?        
1 1 1 3  7  15 o 345.2348 8.462708 1196.446   58.43241 1196.446   58.43241 ?          ?        345.2348 8.462708 ?        ?        ?         ?        
1 1 1 3  7  16 o 91.07195 8.097953 83.39383   14.74993 83.39383   14.74993 ?          ?        91.07195 8.097953 ?        ?        ?         ?        
1 1 1 3  7  17 o 169.1205 6.541163 287.6236   22.12490 287.6236   22.12490 ?          ?        169.1205 6.541163 ?        ?        ?         ?        
1 1 1 3  7  18 o 150.5886 7.722864 229.1912   23.25950 229.1912   23.25950 ?          ?        150.5886 7.722864 ?        ?        ?         ?        
1 1 1 3  7  19 o 243.6106 7.684833 603.0452   37.44213 603.0452   37.44213 ?          ?        243.6106 7.684833 ?        ?        ?         ?        
1 1 1 3  7  20 f 149.2075 7.414135 226.9220   22.12490 226.9220   22.12490 ?          ?        149.2075 7.414135 ?        ?        ?         ?        
1 1 1 3  8  0  o 708.3268 14.63049 5032.562   207.0663 5032.562   207.0663 5032.562   207.0663 708.3268 14.63049 708.3268 14.63049 -0.000000 0.000000 
1 1 1 3  8  1  o 521.6779 7.775354 2724.198   81.12460 2724.198   81.12460 ?          ?        521.6779 7.775354 ?        ?        ?         ?        
1 1 1 3  8  2  o 133.6724 2.546397 178.7011   6.807660 178.7011   6.807660 ?          ?        133.6724 2.546397 ?        ?        ?         ?        
1 1 1 3  8  3  o 630.6148 9.265944 3980.779   116.8648 3980.779   116.8648 ?          ?        630.6148 9.265944 ?        ?        ?         ?        
1 1 1 3  8  4  o 122.6078 2.544845 150.3358   6.240355 150.3358   6.240355 ?          ?        122.6078 2.544845 ?        ?        ?         ?        
1 1 1 3  8  5  o 482.5864 8.463967 2332.758   81.69191 2332.758   81.69191 ?          ?        482.5864 8.463967 ?        ?        ?         ?        
1 1 1 3  8  6  o 220.0349 4.898675 484.4784   21.55759 484.4784   21.55759 ?          ?        220.0349 4.898675 ?        ?        ?         ?        
1 1 1 3  8  7  o 95.83912 4.143542 91.90340   7.942269 91.90340   7.942269 ?          ?        95.83912 4.143542 ?        ?        ?         ?        
1 1 1 3  8  8  o 37.63573 9.729207 14.74993   7.374964 14.74993   7.374964 ?          ?        37.63573 9.729207 ?        ?        ?         ?        
1 1 1 3  8  9  o 681.7874 15.80961 4680.833   215.5759 4680.833   215.5759 ?          ?        681.7874 15.80961 ?        ?        ?         ?        
1 1 1 3  8  10 o 129.1263 4.173743 166.7877   10.77879 166.7877   10.77879 ?          ?        129.1263 4.173743 ?        ?        ?         ?        
1 1 1 3  8  11 o 282.5938 6.524351 799.3326   36.87482 799.3326   36.87482 ?          ?        282.5938 6.524351 ?        ?        ?         ?        
1 1 1 3  8  12 o 707.9500 17.78963 5051.851   251.8834 5051.851   251.8834 ?          ?        707.9500 17.78963 ?        ?        ?         ?        
1 1 1 3  8  13 o 757.6557 19.16835 5804.665   290.4601 5804.665   290.4601 ?          ?        757.6557 19.16835 ?        ?        ?         ?        
1 1 1 3  8  14 o 149.9741 6.052299 225.2201   18.15376 225.2201   18.15376 ?          ?        149.9741 6.052299 ?        ?        ?         ?        
1 1 1 3  8  15 o 122.8164 8.776350 151.4704   21.55759 151.4704   21.55759 ?          ?        122.8164 8.776350 ?        ?        ?         ?        
1 1 1 3  8  16 o 102.7507 7.453590 106.0860   15.31723 106.0860   15.31723 ?          ?        102.7507 7.453590 ?        ?        ?         ?        
1 1 1 3  8  17 o 280.6256 8.894918 795.9289   49.92284 795.9289   49.92284 ?          ?        280.6256 8.894918 ?        ?        ?         ?        
1 1 1 3  8  18 o 168.5613 6.731143 286.4890   22.69220 286.4890   22.69220 ?          ?        168.5613 6.731143 ?        ?        ?         ?        
1 1 1 3  8  19 o 139.1244 7.135942 196.2875   19.85567 196.2875   19.85567 ?          ?        139.1244 7.135942 ?        ?        ?         ?        
1 1 1 3  8  20 f 153.7488 7.564127 241.1046   23.25950 241.1046   23.25950 ?          ?        153.7488 7.564127 ?        ?        ?         ?        
1 1 1 3  9  0  o 401.5552 8.626759 1615.684   69.21120 1615.684   69.21120 1615.684   69.21120 401.5552 8.626759 401.5552 8.626759 -0.000000 0.000000 
1 1 1 3  9  1  o 159.5862 3.199365 254.7199   10.21149 254.7199   10.21149 ?          ?        159.5862 3.199365 ?        ?        ?         ?        
1 1 1 3  9  2  o 399.4434 6.036014 1596.396   48.22092 1596.396   48.22092 ?          ?        399.4434 6.036014 ?        ?        ?         ?        
1 1 1 3  9  3  o 1469.616 22.79464 21720.40   669.9872 21720.40   669.9872 ?          ?        1469.616 22.79464 ?        ?        ?         ?        
1 1 1 3  9  4  o 515.8321 7.698503 2662.362   79.42269 2662.362   79.42269 ?          ?        515.8321 7.698503 ?        ?        ?         ?        
1 1 1 3  9  5  o 404.1943 6.596662 1635.540   53.32666 1635.540   53.32666 ?          ?        404.1943 6.596662 ?        ?        ?         ?        
1 1 1 3  9  6  o 227.8871 4.605413 519.6514   20.99029 519.6514   20.99029 ?          ?        227.8871 4.605413 ?        ?        ?         ?        
1 1 1 3  9  7  f 201.2006 4.229399 405.0558   17.01915 405.0558   17.01915 ?          ?        201.2006 4.229399 ?        ?        ?         ?        
1 1 1 3  9  8  o 254.6371 5.012766 648.9968   25.52872 648.9968   25.52872 ?          ?        254.6371 5.012766 ?        ?        ?         ?        
1 1 1 3  9  9  o 874.6555 20.23644 7739.174   353.9983 7739.174   353.9983 ?          ?        874.6555 20.23644 ?        ?        ?         ?        
1 1 1 3  9  10 o 83.48900 7.814212 69.77851   13.04801 69.77851   13.04801 ?          ?        83.48900 7.814212 ?        ?        ?         ?        
1 1 1 3  9  11 o 315.0641 7.742587 993.9183   48.78823 993.9183   48.78823 ?          ?        315.0641 7.742587 ?        ?        ?         ?        
1 1 1 3  9  12 o 658.7112 16.62183 4369.383   218.9797 4369.383   218.9797 ?          ?        658.7112 16.62183 ?        ?        ?         ?        
1 1 1 3  9  13 o 543.3376 12.73816 2967.005   138.4224 2967.005   138.4224 ?          ?        543.3376 12.73816 ?        ?        ?         ?        
1 1 1 3  9  14 o 363.3550 9.523911 1324.657   69.21120 1324.657   69.21120 ?          ?        363.3550 9.523911 ?        ?        ?         ?        
1 1 1 3  9  15 o 201.1985 6.062199 405.6230   24.39412 405.6230   24.39412 ?          ?        201.1985 6.062199 ?        ?        ?         ?        
1 1 1 3  9  16 o 286.0619 8.130935 823.1595   46.51900 823.1595   46.51900 ?          ?        286.0619 8.130935 ?        ?        ?         ?        
1 1 1 3  9  17 f 204.8401 6.508327 422.0749   26.66333 422.0749   26.66333 ?          ?        204.8401 6.508327 ?        ?        ?         ?        
1 1 1 3  9  18 o 91.64413 8.356910 85.09574   15.31723 85.09574   15.31723 ?          ?        91.64413 8.356910 ?        ?        ?         ?        
1 1 1 3  9  19 o 104.0679 7.631813 110.0572   15.88454 110.0572   15.88454 ?          ?        104.0679 7.631813 ?        ?        ?         ?        
1 1 1 3  9  20 o 127.6718 7.553889 166.2204   19.28837 166.2204   19.28837 ?          ?        127.6718 7.553889 ?        ?        ?         ?        
1 1 1 3  10 0  o 694.8542 14.42397 4842.515   200.2587 4842.515   200.2587 4842.515   200.2587 694.8542 14.42397 694.8542 14.42397 -0.000000 0.000000 
1 1 1 3  10 1  f 511.2200 7.656986 2615.843   78.28809 2615.843   78.28809 ?          ?        511.2200 7.656986 ?        ?        ?         ?        
1 1 1 3  10 2  o 403.6154 6.114178 1629.867   49.35553 1629.867   49.35553 ?          ?        403.6154 6.114178 ?        ?        ?         ?        
1 1 1 3  10 3  o 594.2341 9.403624 3534.310   111.7591 3534.310   111.7591 ?          ?        594.2341 9.403624 ?        ?        ?         ?        
1 1 1 3  10 4  o 61.18652 3.245106 37.44213   3.971134 37.44213   3.971134 ?          ?        61.18652 3.245106 ?        ?        ?         ?        
1 1 1 3  10 5  f 496.6891 7.481234 2470.613   74.31695 2470.613   74.31695 ?          ?        496.6891 7.481234 ?        ?        ?         ?        
1 1 1 3  10 6  o 140.2849 3.032962 196.8548   8.509575 196.8548   8.509575 ?          ?        140.2849 3.032962 ?        ?        ?         ?        
1 1 1 3  10 7  o 657.4963 12.42470 4344.989   163.3838 4344.989   163.3838 ?          ?        657.4963 12.42470 ?        ?        ?         ?        
1 1 1 3  10 8  f 524.8277 9.133906 2763.343   95.87454 2763.343   95.87454 ?          ?        524.8277 9.133906 ?        ?        ?         ?        
1 1 1 3  10 9  o 663.4579 18.85436 4447.104   250.1815 4447.104   250.1815 ?          ?        663.4579 18.85436 ?        ?        ?         ?        
1 1 1 3  10 10 o 343.2065 10.16567 1179.994   69.77851 1179.994   69.77851 ?          ?        343.2065 10.16567 ?        ?        ?         ?        
1 1 1 3  10 11 o 601.1516 16.98655 3635.290   204.2298 3635.290   204.2298 ?          ?        601.1516 16.98655 ?        ?        ?         ?        
1 1 1 3  10 12 o 252.6816 7.296696 639.3527   36.87482 639.3527   36.87482 ?          ?        252.6816 7.296696 ?        ?        ?         ?        
1 1 1 3  10 13 o 516.6863 13.23051 2684.487   136.7205 2684.487   136.7205 ?          ?        516.6863 13.23051 ?        ?        ?         ?        
1 1 1 3  10 14 f 219.4278 6.334190 482.2092   27.79794 482.2092   27.79794 ?          ?        219.4278 6.334190 ?        ?        ?         ?        
1 1 1 3  10 15 o 237.6518 6.683956 566.1703   31.76908 566.1703   31.76908 ?          ?        237.6518 6.683956 ?        ?        ?         ?        
1 1 1 3  10 16 f 65.32833 17.46109 45.38440   23.25950 45.38440   23.25950 ?          ?        65.32833 17.46109 ?        ?        ?         ?        
1 1 1 3  10 17 o 31.16556 12.32097 5.673049   11.34610 5.673049   11.34610 ?          ?        31.16556 12.32097 ?        ?        ?         ?        
1 1 1 3  10 18 o 123.6449 6.882270 154.3070   17.01915 154.3070   17.01915 ?          ?        123.6449 6.882270 ?        ?        ?         ?        
1 1 1 3  10 19 o 25.25349 11.52433 -7.942269  13.04801 -7.942269  13.04801 ?          ?        25.25349 11.52433 ?        ?        ?         ?        
1 1 1 3  11 0  o 314.9782 6.941708 993.9183   43.68248 993.9183   43.68248 993.9183   43.68248 314.9782 6.941708 314.9782 6.941708 -0.000000 0.000000 
1 1 1 3  11 1  o 363.2541 5.544143 1320.119   40.27865 1320.119   40.27865 ?          ?        363.2541 5.544143 ?        ?        ?         ?        
1 1 1 3  11 2  o 220.4777 3.602301 486.1804   15.88454 486.1804   15.88454 ?          ?        220.4777 3.602301 ?        ?        ?         ?        
1 1 1 3  11 3  o 52.72018 3.766238 27.79794   3.971134 27.79794   3.971134 ?          ?        52.72018 3.766238 ?        ?        ?         ?        
1 1 1 3  11 4  o 758.8159 11.17690 5767.222   169.6242 5767.222   169.6242 ?          ?        758.8159 11.17690 ?        ?        ?         ?        
1 1 1 3  11 5  o 82.15604 2.762085 67.50929   4.538440 67.50929   4.538440 ?          ?        82.15604 2.762085 ?        ?        ?         ?        
1 1 1 3  11 6  o 207.7364 3.550156 431.7191   14.74993 431.7191   14.74993 ?          ?        207.7364 3.550156 ?        ?        ?         ?        
1 1 1 3  11 7  o 431.0205 7.633903 1861.328   65.80738 1861.328   65.80738 ?          ?        431.0205 7.633903 ?        ?        ?         ?        
1 1 1 3  11 8  f 203.4028 4.880875 414.1326   19.85567 414.1326   19.85567 ?          ?        203.4028 4.880875 ?        ?        ?         ?        
1 1 1 3  11 9  o 427.3660 12.47799 1834.664   106.6533 1834.664   106.6533 ?          ?        427.3660 12.47799 ?        ?        ?         ?        
1 1 1 3  11 10 o 398.6075 9.464393 1591.290   75.45156 1591.290   75.45156 ?          ?        398.6075 9.464393 ?        ?        ?         ?        
1 1 1 3  11 11 o 371.9916 9.912810 1386.493   73.74965 1386.493   73.74965 ?          ?        371.9916 9.912810 ?        ?        ?         ?        
1 1 1 3  11 12 o 195.7264 6.376611 383.4982   24.96142 383.4982   24.96142 ?          ?        195.7264 6.376611 ?        ?        ?         ?        
1 1 1 3  11 13 o 369.0960 9.836878 1366.638   72.61504 1366.638   72.61504 ?          ?        369.0960 9.836878 ?        ?        ?         ?        
1 1 1 3  11 14 o 186.0012 7.015016 346.6233   26.09603 346.6233   26.09603 ?          ?        186.0012 7.015016 ?        ?        ?         ?        
1 1 1 3  11 15 o 230.4876 7.014776 532.6994   32.33638 532.6994   32.33638 ?          ?        230.4876 7.014776 ?        ?        ?         ?        
1 1 1 3  11 16 o 145.8288 5.835320 213.3067   17.01915 213.3067   17.01915 ?          ?        145.8288 5.835320 ?        ?        ?         ?        
1 1 1 3  11 17 o 67.01876 8.464869 45.38440   11.34610 45.38440   11.34610 ?          ?        67.01876 8.464869 ?        ?        ?         ?        
1 1 1 3  11 18 o 98.82858 7.175366 98.71106   14.18262 98.71106   14.18262 ?          ?        98.82858 7.175366 ?        ?        ?         ?        
1 1 1 3  11 19 o 146.9480 7.142082 218.9797   20.99029 218.9797   20.99029 ?          ?        146.9480 7.142082 ?        ?        ?         ?        
1 1 1 3  12 0  o 115.0565 3.458349 132.7494   7.942269 132.7494   7.942269 132.7494   7.942269 115.0565 3.458349 115.0565 3.458349 -0.000000 0.000000 
1 1 1 3  12 1  o 222.2690 3.700886 494.1226   16.45185 494.1226   16.45185 ?          ?        222.2690 3.700886 ?        ?        ?         ?        
1 1 1 3  12 2  o 482.7904 7.226585 2332.191   69.77851 2332.191   69.77851 ?          ?        482.7904 7.226585 ?        ?        ?         ?        
1 1 1 3  12 3  o 813.0165 11.93200 6618.747   194.0183 6618.747   194.0183 ?          ?        813.0165 11.93200 ?        ?        ?         ?        
1 1 1 3  12 4  f 202.5040 3.501814 410.1615   14.18262 410.1615   14.18262 ?          ?        202.5040 3.501814 ?        ?        ?         ?        
1 1 1 3  12 5  o 423.9777 6.556464 1799.491   55.59589 1799.491   55.59589 ?          ?        423.9777 6.556464 ?        ?        ?         ?        
1 1 1 3  12 6  o 279.2015 4.470143 780.0444   24.96142 780.0444   24.96142 ?          ?        279.2015 4.470143 ?        ?        ?         ?        
1 1 1 3  12 7  o 494.7564 8.083776 2453.027   79.99000 2453.027   79.99000 ?          ?        494.7564 8.083776 ?        ?        ?         ?        
1 1 1 3  12 8  o 26.91608 7.912074 7.374964   4.538440 7.374964   4.538440 ?          ?        26.91608 7.912074 ?        ?        ?         ?        
1 1 1 3  12 9  o 473.6716 12.15641 2252.768   115.1629 2252.768   115.1629 ?          ?        473.6716 12.15641 ?        ?        ?         ?        
1 1 1 3  12 10 o 119.0630 5.241220 141.8262   12.48071 141.8262   12.48071 ?          ?        119.0630 5.241220 ?        ?        ?         ?        
1 1 1 3  12 11 o 352.3380 10.46575 1244.100   73.74965 1244.100   73.74965 ?          ?        352.3380 10.46575 ?        ?        ?         ?        
1 1 1 3  12 12 o 343.3698 9.086929 1181.696   62.40355 1181.696   62.40355 ?          ?        343.3698 9.086929 ?        ?        ?         ?        
1 1 1 3  12 13 o 105.5995 8.058344 111.7591   17.01915 111.7591   17.01915 ?          ?        105.5995 8.058344 ?        ?        ?         ?        
1 1 1 3  12 14 o 566.8073 17.71554 3253.494   200.8260 3253.494   200.8260 ?          ?        566.8073 17.71554 ?        ?        ?         ?        
1 1 1 3  12 15 o 49.48895 18.42818 19.28837   24.39412 19.28837   24.39412 ?          ?        49.48895 18.42818 ?        ?        ?         ?        
1 1 1 3  12 16 o 140.9829 9.255035 200.2587   26.09603 200.2587   26.09603 ?          ?        140.9829 9.255035 ?        ?        ?         ?        
1 1 1 3  12 17 o 39.05541 16.71401 0.5673050  23.25950 0.5673050  23.25950 ?          ?        39.05541 16.71401 ?        ?        ?         ?        
1 1 1 3  12 18 o 182.4691 9.327138 339.2484   34.03830 339.2484   34.03830 ?          ?        182.4691 9.327138 ?        ?        ?         ?        
1 1 1 3  12 19 o 41.76600 17.22408 8.509575   23.25950 8.509575   23.25950 ?          ?        41.76600 17.22408 ?        ?        ?         ?        
1 1 1 3  13 0  o 20.53816 10.27309 6.240355   5.105744 6.240355   5.105744 6.240355   5.105744 20.53816 10.27309 20.53816 10.27309 -0.000000 0.000000 
1 1 1 3  13 1  o 395.9730 6.017281 1568.598   47.65361 1568.598   47.65361 ?          ?        395.9730 6.017281 ?        ?        ?         ?        
1 1 1 3  13 2  o 558.0400 8.285311 3116.206   92.47070 3116.206   92.47070 ?          ?        558.0400 8.285311 ?        ?        ?         ?        
1 1 1 3  13 3  o 302.8398 4.870538 917.3322   29.49986 917.3322   29.49986 ?          ?        302.8398 4.870538 ?        ?        ?         ?        
1 1 1 3  13 4  o 400.0960 6.097066 1602.069   48.78823 1602.069   48.78823 ?          ?        400.0960 6.097066 ?        ?        ?         ?        
1 1 1 3  13 5  o 416.0891 6.408083 1733.117   53.32666 1733.117   53.32666 ?          ?        416.0891 6.408083 ?        ?        ?         ?        
1 1 1 3  13 6  o 698.6613 11.08364 4900.948   154.8743 4900.948   154.8743 ?          ?        698.6613 11.08364 ?        ?        ?         ?        
1 1 1 3  13 7  o 225.7745 4.020331 510.0071   18.15376 510.0071   18.15376 ?          ?        225.7745 4.020331 ?        ?        ?         ?        
1 1 1 3  13 8  o 204.2540 4.443917 417.5364   18.15376 417.5364   18.15376 ?          ?        204.2540 4.443917 ?        ?        ?         ?        
1 1 1 3  13 9  o 121.1719 5.384092 146.9320   13.04801 146.9320   13.04801 ?          ?        121.1719 5.384092 ?        ?        ?         ?        
1 1 1 3  13 10 o 504.1947 11.81429 2548.334   119.1340 2548.334   119.1340 ?          ?        504.1947 11.81429 ?        ?        ?         ?        
1 1 1 3  13 11 o 640.2068 18.25423 4126.009   233.7296 4126.009   233.7296 ?          ?        640.2068 18.25423 ?        ?        ?         ?        
1 1 1 3  13 12 o 691.6731 19.15149 4834.573   264.9314 4834.573   264.9314 ?          ?        691.6731 19.15149 ?        ?        ?         ?        
1 1 1 3  13 13 o 174.6844 7.631857 305.7773   26.66333 305.7773   26.66333 ?          ?        174.6844 7.631857 ?        ?        ?         ?        
1 1 1 3  13 14 o 686.7684 24.86410 4841.381   341.5176 4841.381   341.5176 ?          ?        686.7684 24.86410 ?        ?        ?         ?        
1 1 1 3  13 15 o 317.0466 9.662450 1010.937   61.26894 1010.937   61.26894 ?          ?        317.0466 9.662450 ?        ?        ?         ?        
1 1 1 3  13 16 o 149.4006 8.543715 224.6528   25.52872 224.6528   25.52872 ?          ?        149.4006 8.543715 ?        ?        ?         ?        
1 1 1 3  13 17 o 187.4596 8.473578 355.1329   31.76908 355.1329   31.76908 ?          ?        187.4596 8.473578 ?        ?        ?         ?        
1 1 1 3  13 18 o 173.8397 10.11648 309.1812   35.17290 309.1812   35.17290 ?          ?        173.8397 10.11648 ?        ?        ?         ?        
1 1 1 3  13 19 f 29.92439 14.09829 -22.12490  22.12490 -22.12490  22.12490 ?          ?        29.92439 14.09829 ?        ?        ?         ?        
1 1 1 3  14 0  o 1390.491 28.54523 19443.81   793.0923 19443.81   793.0923 19443.81   793.0923 1390.491 28.54523 1390.491 28.54523 -0.000000 0.000000 
1 1 1 3  14 1  o 298.6898 4.843244 892.3707   28.93255 892.3707   28.93255 ?          ?        298.6898 4.843244 ?        ?        ?         ?        
1 1 1 3  14 2  o 106.5138 2.929365 113.4610   6.240355 113.4610   6.240355 ?          ?        106.5138 2.929365 ?        ?        ?         ?        
1 1 1 3  14 3  o 875.5654 12.86141 7680.742   225.2201 7680.742   225.2201 ?          ?        875.5654 12.86141 ?        ?        ?         ?        
1 1 1 3  14 4  o 150.2446 3.020701 225.7874   9.076880 225.7874   9.076880 ?          ?        150.2446 3.020701 ?        ?        ?         ?        
1 1 1 3  14 5  o 474.2912 7.236473 2252.768   68.64390 2252.768   68.64390 ?          ?        474.2912 7.236473 ?        ?        ?         ?        
1 1 1 3  14 6  o 641.7675 9.591105 4131.115   123.1052 4131.115   123.1052 ?          ?        641.7675 9.591105 ?        ?        ?         ?        
1 1 1 3  14 7  o 294.8882 4.809492 870.2458   28.36525 870.2458   28.36525 ?          ?        294.8882 4.809492 ?        ?        ?         ?        
1 1 1 3  14 8  o 396.3176 6.584625 1573.137   52.19205 1573.137   52.19205 ?          ?        396.3176 6.584625 ?        ?        ?         ?        
1 1 1 3  14 9  o 250.8443 5.880114 629.7086   29.49986 629.7086   29.49986 ?          ?        250.8443 5.880114 ?        ?        ?         ?        
1 1 1 3  14 10 o 482.1182 11.35508 2329.921   109.4899 2329.921   109.4899 ?          ?        482.1182 11.35508 ?        ?        ?         ?        
1 1 1 3  14 11 o 257.7274 6.823665 664.8814   35.17290 664.8814   35.17290 ?          ?        257.7274 6.823665 ?        ?        ?         ?        
1 1 1 3  14 12 o 397.4810 10.41893 1585.050   82.82652 1585.050   82.82652 ?          ?        397.4810 10.41893 ?        ?        ?         ?        
1 1 1 3  14 13 o 322.3321 9.856009 1042.707   63.53815 1042.707   63.53815 ?          ?        322.3321 9.856009 ?        ?        ?         ?        
1 1 1 3  14 14 o 465.9994 13.39134 2189.230   124.8071 2189.230   124.8071 ?          ?        465.9994 13.39134 ?        ?        ?         ?        
1 1 1 3  14 15 o 289.6036 9.402729 843.5825   54.46128 843.5825   54.46128 ?          ?        289.6036 9.402729 ?        ?        ?         ?        
1 1 1 3  14 16 o 27.90581 13.15205 -21.55759  19.28837 -21.55759  19.28837 ?          ?        27.90581 13.15205 ?        ?        ?         ?        
1 1 1 3  14 17 o 230.4548 8.369698 536.6705   38.57674 536.6705   38.57674 ?          ?        230.4548 8.369698 ?        ?        ?         ?        
1 1 1 3  14 18 o 123.1460 9.674211 154.8743   23.82681 154.8743   23.82681 ?          ?        123.1460 9.674211 ?        ?        ?         ?        
1 1 1 3  14 19 o 39.11465 16.83341 1.701915   23.82681 1.701915   23.82681 ?          ?        39.11465 16.83341 ?        ?        ?         ?        
1 1 1 3  15 0  o 565.3393 13.76575 3204.706   155.4416 3204.706   155.4416 3204.706   155.4416 565.3393 13.76575 565.3393 13.76575 -0.000000 0.000000 
1 1 1 3  15 1  o 310.2422 4.845756 962.7164   30.06716 962.7164   30.06716 ?          ?        310.2422 4.845756 ?        ?        ?         ?        
1 1 1 3  15 2  o 1017.754 14.79920 10379.98   301.2389 10379.98   301.2389 ?          ?        1017.754 14.79920 ?        ?        ?         ?        
1 1 1 3  15 3  o 281.4736 4.534834 792.5250   25.52872 792.5250   25.52872 ?          ?        281.4736 4.534834 ?        ?        ?         ?        
1 1 1 3  15 4  o 439.3864 6.649320 1932.808   58.43241 1932.808   58.43241 ?          ?        439.3864 6.649320 ?        ?        ?         ?        
1 1 1 3  15 5  o 531.1220 7.957535 2826.313   84.52843 2826.313   84.52843 ?          ?        531.1220 7.957535 ?        ?        ?         ?        
1 1 1 3  15 6  o 459.0079 8.157186 2111.509   74.88425 2111.509   74.88425 ?          ?        459.0079 8.157186 ?        ?        ?         ?        
1 1 1 3  15 7  o 194.9167 3.638124 380.0943   14.18262 380.0943   14.18262 ?          ?        194.9167 3.638124 ?        ?        ?         ?        
1 1 1 3  15 8  o 492.1031 7.435671 2425.796   73.18234 2425.796   73.18234 ?          ?        492.1031 7.435671 ?        ?        ?         ?        
1 1 1 3  15 9  o 517.1851 11.29816 2681.651   116.8648 2681.651   116.8648 ?          ?        517.1851 11.29816 ?        ?        ?         ?        
1 1 1 3  15 10 o 216.9226 5.753531 470.8631   24.96142 470.8631   24.96142 ?          ?        216.9226 5.753531 ?        ?        ?         ?        
1 1 1 3  15 11 o 135.1007 6.088733 182.6722   16.45185 182.6722   16.45185 ?          ?        135.1007 6.088733 ?        ?        ?         ?        
1 1 1 3  15 12 o 465.1713 12.01268 2173.345   111.7591 2173.345   111.7591 ?          ?        465.1713 12.01268 ?        ?        ?         ?        
1 1 1 3  15 13 o 398.8907 11.59098 1599.233   92.47070 1599.233   92.47070 ?          ?        398.8907 11.59098 ?        ?        ?         ?        
1 1 1 3  15 14 o 204.8474 8.169738 420.9402   33.47099 420.9402   33.47099 ?          ?        204.8474 8.169738 ?        ?        ?         ?        
1 1 1 3  15 15 o 410.6566 11.94962 1703.050   98.14376 1703.050   98.14376 ?          ?        410.6566 11.94962 ?        ?        ?         ?        
1 1 1 3  15 16 o 233.8138 9.583926 551.9877   44.81709 551.9877   44.81709 ?          ?        233.8138 9.583926 ?        ?        ?         ?        
1 1 1 3  15 17 o 158.6604 8.760201 254.7199   27.79794 254.7199   27.79794 ?          ?        158.6604 8.760201 ?        ?        ?         ?        
1 1 1 3  15 18 o 184.4954 8.609722 346.0561   31.76908 346.0561   31.76908 ?          ?        184.4954 8.609722 ?        ?        ?         ?        
1 1 1 3  15 19 o 32.10706 14.79775 -14.18262  22.12490 -14.18262  22.12490 ?          ?        32.10706 14.79775 ?        ?        ?         ?        
1 1 1 3  16 0  o 476.3378 10.19320 2273.191   97.00916 2273.191   97.00916 2273.191   97.00916 476.3378 10.19320 476.3378 10.19320 -0.000000 0.000000 
1 1 1 3  16 1  o 777.4343 12.22272 6052.577   190.0471 6052.577   190.0471 ?          ?        777.4343 12.22272 ?        ?        ?         ?        
1 1 1 3  16 2  o 80.76675 3.160796 65.24007   5.105744 65.24007   5.105744 ?          ?        80.76675 3.160796 ?        ?        ?         ?        
1 1 1 3  16 3  o 246.7882 4.252692 609.2856   20.99029 609.2856   20.99029 ?          ?        246.7882 4.252692 ?        ?        ?         ?        
1 1 1 3  16 4  o 169.0685 3.355473 285.9217   11.34610 285.9217   11.34610 ?          ?        169.0685 3.355473 ?        ?        ?         ?        
1 1 1 3  16 5  o 127.3542 3.340908 162.2492   8.509575 162.2492   8.509575 ?          ?        127.3542 3.340908 ?        ?        ?         ?        
1 1 1 3  16 6  o 258.9783 4.381101 671.1218   22.69220 671.1218   22.69220 ?          ?        258.9783 4.381101 ?        ?        ?         ?        
1 1 1 3  16 7  o 444.5191 7.465897 1979.894   66.37468 1979.894   66.37468 ?          ?        444.5191 7.465897 ?        ?        ?         ?        
1 1 1 3  16 8  o 455.7928 6.970071 2080.307   63.53815 2080.307   63.53815 ?          ?        455.7928 6.970071 ?        ?        ?         ?        
1 1 1 3  16 9  o 388.3680 8.107112 1510.166   62.97085 1510.166   62.97085 ?          ?        388.3680 8.107112 ?        ?        ?         ?        
1 1 1 3  16 10 f 336.2133 7.593015 1131.773   51.05745 1131.773   51.05745 ?          ?        336.2133 7.593015 ?        ?        ?         ?        
1 1 1 3  16 11 o 290.1763 8.895413 843.5825   51.62476 843.5825   51.62476 ?          ?        290.1763 8.895413 ?        ?        ?         ?        
1 1 1 3  16 12 o 520.9272 16.33544 2735.544   170.1915 2735.544   170.1915 ?          ?        520.9272 16.33544 ?        ?        ?         ?        
1 1 1 3  16 13 o 243.0928 7.701200 592.2664   37.44213 592.2664   37.44213 ?          ?        243.0928 7.701200 ?        ?        ?         ?        
1 1 1 3  16 14 o 172.2155 7.082439 297.2678   24.39412 297.2678   24.39412 ?          ?        172.2155 7.082439 ?        ?        ?         ?        
1 1 1 3  16 15 o 343.9237 11.71151 1194.177   80.55730 1194.177   80.55730 ?          ?        343.9237 11.71151 ?        ?        ?         ?        
1 1 1 3  16 16 o 199.3040 8.396972 400.5173   33.47099 400.5173   33.47099 ?          ?        199.3040 8.396972 ?        ?        ?         ?        
1 1 1 3  16 17 f 57.72012 19.25877 34.03830   26.09603 34.03830   26.09603 ?          ?        57.72012 19.25877 ?        ?        ?         ?        
1 1 1 3  16 18 o 37.74802 16.54023 -2.836525  23.82681 -2.836525  23.82681 ?          ?        37.74802 16.54023 ?        ?        ?         ?        
1 1 1 3  16 19 o 91.30915 13.97928 88.49958   25.52872 88.49958   25.52872 ?          ?        91.30915 13.97928 ?        ?        ?         ?        
1 1 1 3  17 0  o 685.5132 14.33078 4710.333   196.2875 4710.333   196.2875 4710.333   196.2875 685.5132 14.33078 685.5132 14.33078 -0.000000 0.000000 
1 1 1 3  17 1  o 839.7509 12.29525 7063.514   206.4990 7063.514   206.4990 ?          ?        839.7509 12.29525 ?        ?        ?         ?        
1 1 1 3  17 2  o 469.4014 7.070141 2205.115   66.37468 2205.115   66.37468 ?          ?        469.4014 7.070141 ?        ?        ?         ?        
1 1 1 3  17 3  o 131.3064 3.240351 172.4607   8.509575 172.4607   8.509575 ?          ?        131.3064 3.240351 ?        ?        ?         ?        
1 1 1 3  17 4  o 24.15656 8.495303 5.105744   5.105744 5.105744   5.105744 ?          ?        24.15656 8.495303 ?        ?        ?         ?        
1 1 1 3  17 5  f 117.3897 3.382864 137.8551   7.942269 137.8551   7.942269 ?          ?        117.3897 3.382864 ?        ?        ?         ?        
1 1 1 3  17 6  o 824.6968 12.21014 6834.322   201.3933 6834.322   201.3933 ?          ?        824.6968 12.21014 ?        ?        ?         ?        
1 1 1 3  17 7  o 176.2716 3.701111 310.8831   13.04801 310.8831   13.04801 ?          ?        176.2716 3.701111 ?        ?        ?         ?        
1 1 1 3  17 8  o 498.5662 10.01328 2492.738   99.84568 2492.738   99.84568 ?          ?        498.5662 10.01328 ?        ?        ?         ?        
1 1 1 3  17 9  o 646.5027 12.98697 4192.384   167.9223 4192.384   167.9223 ?          ?        646.5027 12.98697 ?        ?        ?         ?        
1 1 1 3  17 10 o 597.3572 12.01359 3579.694   143.5282 3579.694   143.5282 ?          ?        597.3572 12.01359 ?        ?        ?         ?        
1 1 1 3  17 11 o 388.1634 11.18056 1511.300   86.79766 1511.300   86.79766 ?          ?        388.1634 11.18056 ?        ?        ?         ?        
1 1 1 3  17 12 o 123.8926 7.326410 153.7396   18.15376 153.7396   18.15376 ?          ?        123.8926 7.326410 ?        ?        ?         ?        
1 1 1 3  17 13 o 304.7940 8.561858 931.5147   52.19205 931.5147   52.19205 ?          ?        304.7940 8.561858 ?        ?        ?         ?        
1 1 1 3  17 14 o 532.4215 17.04830 2871.130   181.5376 2871.130   181.5376 ?          ?        532.4215 17.04830 ?        ?        ?         ?        
1 1 1 3  17 15 o 143.4068 7.714032 206.4990   22.12490 206.4990   22.12490 ?          ?        143.4068 7.714032 ?        ?        ?         ?        
1 1 1 3  17 16 o 299.8065 8.609677 907.1206   51.62476 907.1206   51.62476 ?          ?        299.8065 8.609677 ?        ?        ?         ?        
1 1 1 3  17 17 o 270.3215 8.394523 739.1984   45.38440 739.1984   45.38440 ?          ?        270.3215 8.394523 ?        ?        ?         ?        
1 1 1 3  17 18 o 232.4987 9.150132 551.4204   42.54787 551.4204   42.54787 ?          ?        232.4987 9.150132 ?        ?        ?         ?        
1 1 1 3  17 19 f 140.6443 10.08404 204.2298   28.36525 204.2298   28.36525 ?          ?        140.6443 10.08404 ?        ?        ?         ?        
1 1 1 3  18 0  o 184.5901 4.925076 341.5176   18.15376 341.5176   18.15376 341.5176   18.15376 184.5901 4.925076 184.5901 4.925076 -0.000000 0.000000 
1 1 1 3  18 1  o 181.0642 3.446488 327.9023   12.48071 327.9023   12.48071 ?          ?        181.0642 3.446488 ?        ?        ?         ?        
1 1 1 3  18 2  f 405.6330 6.293552 1646.886   51.05745 1646.886   51.05745 ?          ?        405.6330 6.293552 ?        ?        ?         ?        
1 1 1 3  18 3  o 125.1144 3.174001 156.5762   7.942269 156.5762   7.942269 ?          ?        125.1144 3.174001 ?        ?        ?         ?        
1 1 1 3  18 4  o 676.6710 10.06052 4592.334   136.1532 4592.334   136.1532 ?          ?        676.6710 10.06052 ?        ?        ?         ?        
1 1 1 3  18 5  o 228.6411 4.093986 523.0552   18.72106 523.0552   18.72106 ?          ?        228.6411 4.093986 ?        ?        ?         ?        
1 1 1 3  18 6  f 301.7265 4.888509 911.0919   29.49986 911.0919   29.49986 ?          ?        301.7265 4.888509 ?        ?        ?         ?        
1 1 1 3  18 7  o 204.5491 3.882819 418.6711   15.88454 418.6711   15.88454 ?          ?        204.5491 3.882819 ?        ?        ?         ?        
1 1 1 3  18 8  o 475.0094 9.614138 2262.412   91.33610 2262.412   91.33610 ?          ?        475.0094 9.614138 ?        ?        ?         ?        
1 1 1 3  18 9  o 636.1614 12.79680 4058.500   162.8165 4058.500   162.8165 ?          ?        636.1614 12.79680 ?        ?        ?         ?        
1 1 1 3  18 10 o 714.9406 14.28299 5134.110   204.2298 5134.110   204.2298 ?          ?        714.9406 14.28299 ?        ?        ?         ?        
1 1 1 3  18 11 o 407.8902 10.63983 1668.444   86.79766 1668.444   86.79766 ?          ?        407.8902 10.63983 ?        ?        ?         ?        
1 1 1 3  18 12 f 416.5842 10.96250 1741.626   91.33610 1741.626   91.33610 ?          ?        416.5842 10.96250 ?        ?        ?         ?        
1 1 1 3  18 13 o 352.8357 12.05884 1251.475   85.09574 1251.475   85.09574 ?          ?        352.8357 12.05884 ?        ?        ?         ?        
1 1 1 3  18 14 o 218.9320 7.514590 480.5073   32.90369 480.5073   32.90369 ?          ?        218.9320 7.514590 ?        ?        ?         ?        
1 1 1 3  18 15 o 57.77335 14.69143 35.17290   17.01915 35.17290   17.01915 ?          ?        57.77335 14.69143 ?        ?        ?         ?        
1 1 1 3  18 16 o 122.8328 7.851477 152.0377   19.28837 152.0377   19.28837 ?          ?        122.8328 7.851477 ?        ?        ?         ?        
1 1 1 3  18 17 o 342.5081 9.689505 1191.340   66.37468 1191.340   66.37468 ?          ?        342.5081 9.689505 ?        ?        ?         ?        
1 1 1 3  18 18 o 101.1849 9.811581 104.9514   19.85567 104.9514   19.85567 ?          ?        101.1849 9.811581 ?        ?        ?         ?        
1 1 1 3  18 19 o 178.0989 7.804074 323.3638   27.79794 323.3638   27.79794 ?          ?        178.0989 7.804074 ?        ?        ?         ?        
1 1 1 3  19 0  o 150.9850 4.517748 228.6239   13.61532 228.6239   13.61532 228.6239   13.61532 150.9850 4.517748 150.9850 4.517748 -0.000000 0.000000 
1 1 1 3  19 1  o 191.2625 3.411022 365.9117   13.04801 365.9117   13.04801 ?          ?        191.2625 3.411022 ?        ?        ?         ?        
1 1 1 3  19 2  o 318.8288 4.982154 1017.178   31.76908 1017.178   31.76908 ?          ?        318.8288 4.982154 ?        ?        ?         ?        
1 1 1 3  19 3  o 323.1515 5.178839 1044.976   33.47099 1044.976   33.47099 ?          ?        323.1515 5.178839 ?        ?        ?         ?        
1 1 1 3  19 4  o 181.5127 3.594243 329.6042   13.04801 329.6042   13.04801 ?          ?        181.5127 3.594243 ?        ?        ?         ?        
1 1 1 3  19 5  o 359.6917 5.677913 1295.157   40.84595 1295.157   40.84595 ?          ?        359.6917 5.677913 ?        ?        ?         ?        
1 1 1 3  19 6  o 209.8988 3.918995 440.7959   16.45185 440.7959   16.45185 ?          ?        209.8988 3.918995 ?        ?        ?         ?        
1 1 1 3  19 7  o 288.4431 4.916957 832.8038   28.36525 832.8038   28.36525 ?          ?        288.4431 4.916957 ?        ?        ?         ?        
1 1 1 3  19 8  o 526.3332 10.61676 2778.660   111.7591 2778.660   111.7591 ?          ?        526.3332 10.61676 ?        ?        ?         ?        
1 1 1 3  19 9  o 433.3047 8.902912 1880.049   77.15348 1880.049   77.15348 ?          ?        433.3047 8.902912 ?        ?        ?         ?        
1 1 1 3  19 10 o 589.6947 12.69882 3488.926   149.7685 3488.926   149.7685 ?          ?        589.6947 12.69882 ?        ?        ?         ?        
1 1 1 3  19 11 o 189.2849 5.244919 358.5367   19.85567 358.5367   19.85567 ?          ?        189.2849 5.244919 ?        ?        ?         ?        
1 1 1 3  19 12 o 653.2143 20.32248 4320.027   265.4987 4320.027   265.4987 ?          ?        653.2143 20.32248 ?        ?        ?         ?        
1 1 1 3  19 13 o 205.8145 7.028795 424.3441   28.93255 424.3441   28.93255 ?          ?        205.8145 7.028795 ?        ?        ?         ?        
1 1 1 3  19 14 o 251.7146 7.662792 635.3815   38.57674 635.3815   38.57674 ?          ?        251.7146 7.662792 ?        ?        ?         ?        
1 1 1 3  19 15 o 148.0454 7.855531 220.1143   23.25950 220.1143   23.25950 ?          ?        148.0454 7.855531 ?        ?        ?         ?        
1 1 1 3  19 16 o 193.3024 7.337016 376.1232   28.36525 376.1232   28.36525 ?          ?        193.3024 7.337016 ?        ?        ?         ?        
1 1 1 3  19 17 o 193.0783 7.345531 376.1232   28.36525 376.1232   28.36525 ?          ?        193.0783 7.345531 ?        ?        ?         ?        
1 1 1 3  19 18 o 255.2442 9.334908 666.5833   47.65361 666.5833   47.65361 ?          ?        255.2442 9.334908 ?        ?        ?         ?        
1 1 1 3  19 19 o 176.0391 8.217648 316.5562   28.93255 316.5562   28.93255 ?          ?        176.0391 8.217648 ?        ?        ?         ?        
1 1 1 3  20 0  o 632.9168 13.36866 4020.490   169.0569 4020.490   169.0569 4020.490   169.0569 632.9168 13.36866 632.9168 13.36866 -0.000000 0.000000 
1 1 1 3  20 1  o 154.5184 3.487867 238.8354   10.77879 238.8354   10.77879 ?          ?        154.5184 3.487867 ?        ?        ?         ?        
1 1 1 3  20 2  o 519.4752 7.808323 2702.641   81.12460 2702.641   81.12460 ?          ?        519.4752 7.808323 ?        ?        ?         ?        
1 1 1 3  20 3  o 444.2808 6.895295 1976.490   61.26894 1976.490   61.26894 ?          ?        444.2808 6.895295 ?        ?        ?         ?        
1 1 1 3  20 4  o 355.8929 5.658815 1267.927   40.27865 1267.927   40.27865 ?          ?        355.8929 5.658815 ?        ?        ?         ?        
1 1 1 3  20 5  o 446.5798 6.923314 1997.481   61.83624 1997.481   61.83624 ?          ?        446.5798 6.923314 ?        ?        ?         ?        
1 1 1 3  20 6  o 264.7076 4.500589 701.1889   23.82681 701.1889   23.82681 ?          ?        264.7076 4.500589 ?        ?        ?         ?        
1 1 1 3  20 7  o 232.6917 4.266519 541.7762   19.85567 541.7762   19.85567 ?          ?        232.6917 4.266519 ?        ?        ?         ?        
1 1 1 3  20 8  o 274.5727 5.991800 754.5156   32.90369 754.5156   32.90369 ?          ?        274.5727 5.991800 ?        ?        ?         ?        
1 1 1 3  20 9  o 264.7198 5.893358 701.1889   31.20177 701.1889   31.20177 ?          ?        264.7198 5.893358 ?        ?        ?         ?        
1 1 1 3  20 10 o 707.2018 14.19863 5021.216   200.8260 5021.216   200.8260 ?          ?        707.2018 14.19863 ?        ?        ?         ?        
1 1 1 3  20 11 o 177.3808 5.117173 314.8543   18.15376 314.8543   18.15376 ?          ?        177.3808 5.117173 ?        ?        ?         ?        
1 1 1 3  20 12 o 428.0750 11.26460 1839.770   96.44185 1839.770   96.44185 ?          ?        428.0750 11.26460 ?        ?        ?         ?        
1 1 1 3  20 13 o 258.7204 7.016749 670.5544   36.30752 670.5544   36.30752 ?          ?        258.7204 7.016749 ?        ?        ?         ?        
1 1 1 3  20 14 o 579.2911 15.03239 3395.887   174.1626 3395.887   174.1626 ?          ?        579.2911 15.03239 ?        ?        ?         ?        
1 1 1 3  20 15 o 109.8654 8.778181 121.4033   19.28837 121.4033   19.28837 ?          ?        109.8654 8.778181 ?        ?        ?         ?        
1 1 1 3  20 16 o 308.8438 9.000650 963.2838   55.59589 963.2838   55.59589 ?          ?        308.8438 9.000650 ?        ?        ?         ?        
1 1 1 3  20 17 o 153.6620 7.383804 238.2681   22.69220 238.2681   22.69220 ?          ?        153.6620 7.383804 ?        ?        ?         ?        
1 1 1 3  20 18 o 118.3993 8.864191 142.9609   20.99029 142.9609   20.99029 ?          ?        118.3993 8.864191 ?        ?        ?         ?        
1 1 1 3  20 19 o 153.0956 8.152234 239.4027   24.96142 239.4027   24.96142 ?          ?        153.0956 8.152234 ?        ?        ?         ?        
1 1 1 3  21 0  o 808.8347 16.84954 6573.931   272.3064 6573.931   272.3064 6573.931   272.3064 808.8347 16.84954 808.8347 16.84954 -0.000000 0.000000 
1 1 1 3  21 1  o 90.99326 3.740750 82.82652   6.807660 82.82652   6.807660 ?          ?        90.99326 3.740750 ?        ?        ?         ?        
1 1 1 3  21 2  f 342.3876 5.384953 1173.187   36.87482 1173.187   36.87482 ?          ?        342.3876 5.384953 ?        ?        ?         ?        
1 1 1 3  21 3  o 206.2265 3.713692 425.4788   15.31723 425.4788   15.31723 ?          ?        206.2265 3.713692 ?        ?        ?         ?        
1 1 1 3  21 4  o 890.1827 13.09632 7968.932   233.1623 7968.932   233.1623 ?          ?        890.1827 13.09632 ?        ?        ?         ?        
1 1 1 3  21 5  o 394.2981 6.258658 1556.685   49.35553 1556.685   49.35553 ?          ?        394.2981 6.258658 ?        ?        ?         ?        
1 1 1 3  21 6  o 160.4475 3.535767 257.5565   11.34610 257.5565   11.34610 ?          ?        160.4475 3.535767 ?        ?        ?         ?        
1 1 1 3  21 7  o 60.22395 6.122949 36.30752   7.374964 36.30752   7.374964 ?          ?        60.22395 6.122949 ?        ?        ?         ?        
1 1 1 3  21 8  o 983.7253 22.69277 9775.798   446.4690 9775.798   446.4690 ?          ?        983.7253 22.69277 ?        ?        ?         ?        
1 1 1 3  21 9  o 232.6886 5.729401 541.7762   26.66333 541.7762   26.66333 ?          ?        232.6886 5.729401 ?        ?        ?         ?        
1 1 1 3  21 10 o 481.2769 9.842560 2320.845   94.73994 2320.845   94.73994 ?          ?        481.2769 9.842560 ?        ?        ?         ?        
1 1 1 3  21 11 o 212.2469 6.414848 451.0074   27.23064 451.0074   27.23064 ?          ?        212.2469 6.414848 ?        ?        ?         ?        
1 1 1 3  21 12 o 257.3476 6.392849 663.1795   32.90369 663.1795   32.90369 ?          ?        257.3476 6.392849 ?        ?        ?         ?        
1 1 1 3  21 13 o 392.8718 10.46896 1549.877   82.25922 1549.877   82.25922 ?          ?        392.8718 10.46896 ?        ?        ?         ?        
1 1 1 3  21 14 o 99.43937 8.557551 99.27837   17.01915 99.27837   17.01915 ?          ?        99.43937 8.557551 ?        ?        ?         ?        
1 1 1 3  21 15 o 101.0069 8.705573 102.6822   17.58645 102.6822   17.58645 ?          ?        101.0069 8.705573 ?        ?        ?         ?        
1 1 1 3  21 16 o 88.17041 10.61641 78.85539   18.72106 78.85539   18.72106 ?          ?        88.17041 10.61641 ?        ?        ?         ?        
1 1 1 3  21 17 o 48.51089 15.24075 24.39412   16.45185 24.39412   16.45185 ?          ?        48.51089 15.24075 ?        ?        ?         ?        
1 1 1 3  21 18 o 84.52734 11.40955 73.74965   19.28837 73.74965   19.28837 ?          ?        84.52734 11.40955 ?        ?        ?         ?        
1 1 1 3  21 19 o 39.55522 15.60161 11.34610   18.15376 11.34610   18.15376 ?          ?        39.55522 15.60161 ?        ?        ?         ?        
1 1 1 3  22 0  o 620.6277 13.17601 3865.616   163.3838 3865.616   163.3838 3865.616   163.3838 620.6277 13.17601 620.6277 13.17601 -0.000000 0.000000 
1 1 1 3  22 1  o 146.2205 3.491812 213.8740   10.21149 213.8740   10.21149 ?          ?        146.2205 3.491812 ?        ?        ?         ?        
1 1 1 3  22 2  o 671.4429 10.01212 4521.988   134.4513 4521.988   134.4513 ?          ?        671.4429 10.01212 ?        ?        ?         ?        
1 1 1 3  22 3  o 155.7887 3.641503 242.8065   11.34610 242.8065   11.34610 ?          ?        155.7887 3.641503 ?        ?        ?         ?        
1 1 1 3  22 4  o 506.8337 7.723252 2573.863   78.28809 2573.863   78.28809 ?          ?        506.8337 7.723252 ?        ?        ?         ?        
1 1 1 3  22 5  o 182.9062 3.877020 334.7099   14.18262 334.7099   14.18262 ?          ?        182.9062 3.877020 ?        ?        ?         ?        
1 1 1 3  22 6  o 168.5392 3.702614 284.2198   12.48071 284.2198   12.48071 ?          ?        168.5392 3.702614 ?        ?        ?         ?        
1 1 1 3  22 7  o 156.6877 4.344730 245.6430   13.61532 245.6430   13.61532 ?          ?        156.6877 4.344730 ?        ?        ?         ?        
1 1 1 3  22 8  o 319.9938 9.573458 1025.687   61.26894 1025.687   61.26894 ?          ?        319.9938 9.573458 ?        ?        ?         ?        
1 1 1 3  22 9  o 78.25033 5.437405 61.26894   8.509575 61.26894   8.509575 ?          ?        78.25033 5.437405 ?        ?        ?         ?        
1 1 1 3  22 10 o 831.6612 19.44084 6974.447   323.3638 6974.447   323.3638 ?          ?        831.6612 19.44084 ?        ?        ?         ?        
1 1 1 3  22 11 o 176.5414 6.105534 312.0177   21.55759 312.0177   21.55759 ?          ?        176.5414 6.105534 ?        ?        ?         ?        
1 1 1 3  22 12 o 378.5661 9.291087 1437.551   70.34581 1437.551   70.34581 ?          ?        378.5661 9.291087 ?        ?        ?         ?        
1 1 1 3  22 13 o 172.2540 6.751514 297.2678   23.25950 297.2678   23.25950 ?          ?        172.2540 6.751514 ?        ?        ?         ?        
1 1 1 3  22 14 o 355.2875 8.941793 1267.927   63.53815 1267.927   63.53815 ?          ?        355.2875 8.941793 ?        ?        ?         ?        
1 1 1 3  22 15 o 51.74510 16.25810 27.23064   18.72106 27.23064   18.72106 ?          ?        51.74510 16.25810 ?        ?        ?         ?        
1 1 1 3  22 16 o 194.0717 7.454087 379.5270   28.93255 379.5270   28.93255 ?          ?        194.0717 7.454087 ?        ?        ?         ?        
1 1 1 3  22 17 o 54.91854 15.72227 32.33638   18.15376 32.33638   18.15376 ?          ?        54.91854 15.72227 ?        ?        ?         ?        
1 1 1 3  22 18 o 131.8241 8.391827 176.9992   22.12490 176.9992   22.12490 ?          ?        131.8241 8.391827 ?        ?        ?         ?        
1 1 1 3  22 19 o 186.7660 8.656924 357.9694   32.33638 357.9694   32.33638 ?          ?        186.7660 8.656924 ?        ?        ?         ?        
1 1 1 3  23 0  o 245.4091 5.902338 603.6125   28.93255 603.6125   28.93255 603.6125   28.93255 245.4091 5.902338 245.4091 5.902338 -0.000000 0.000000 
1 1 1 3  23 1  f 37.60489 9.130159 14.74993   6.807660 14.74993   6.807660 ?          ?        37.60489 9.130159 ?        ?        ?         ?        
1 1 1 3  23 2  o 100.7454 3.941753 101.5476   7.942269 101.5476   7.942269 ?          ?        100.7454 3.941753 ?        ?        ?         ?        
1 1 1 3  23 3  o 47.59633 7.151455 22.69220   6.807660 22.69220   6.807660 ?          ?        47.59633 7.151455 ?        ?        ?         ?        
1 1 1 3  23 4  o 202.7535 3.917205 411.2961   15.88454 411.2961   15.88454 ?          ?        202.7535 3.917205 ?        ?        ?         ?        
1 1 1 3  23 5  o 165.4956 3.599311 274.0083   11.91340 274.0083   11.91340 ?          ?        165.4956 3.599311 ?        ?        ?         ?        
1 1 1 3  23 6  o 151.3532 3.560807 229.1912   10.77879 229.1912   10.77879 ?          ?        151.3532 3.560807 ?        ?        ?         ?        
1 1 1 3  23 7  f 265.9322 6.293144 707.9966   33.47099 707.9966   33.47099 ?          ?        265.9322 6.293144 ?        ?        ?         ?        
1 1 1 3  23 8  o 186.9024 4.704716 349.4599   17.58645 349.4599   17.58645 ?          ?        186.9024 4.704716 ?        ?        ?         ?        
1 1 1 3  23 9  o 314.2451 7.762766 988.8126   48.78823 988.8126   48.78823 ?          ?        314.2451 7.762766 ?        ?        ?         ?        
1 1 1 3  23 10 o 669.8573 15.71007 4513.478   210.4701 4513.478   210.4701 ?          ?        669.8573 15.71007 ?        ?        ?         ?        
1 1 1 3  23 11 o 269.2918 6.635964 726.1503   35.74022 726.1503   35.74022 ?          ?        269.2918 6.635964 ?        ?        ?         ?        
1 1 1 3  23 12 o 897.5225 19.72086 8173.730   353.9983 8173.730   353.9983 ?          ?        897.5225 19.72086 ?        ?        ?         ?        
1 1 1 3  23 13 o 256.5036 6.524467 659.2084   33.47099 659.2084   33.47099 ?          ?        256.5036 6.524467 ?        ?        ?         ?        
1 1 1 3  23 14 o 89.86913 8.521967 81.12460   15.31723 81.12460   15.31723 ?          ?        89.86913 8.521967 ?        ?        ?         ?        
1 1 1 3  23 15 o 116.9987 8.970310 137.8551   20.99029 137.8551   20.99029 ?          ?        116.9987 8.970310 ?        ?        ?         ?        
1 1 1 3  23 16 o 141.8517 7.998563 203.0952   22.69220 203.0952   22.69220 ?          ?        141.8517 7.998563 ?        ?        ?         ?        
1 1 1 3  23 17 o 76.87412 11.80746 60.70163   18.15376 60.70163   18.15376 ?          ?        76.87412 11.80746 ?        ?        ?         ?        
1 1 1 3  23 18 o 39.45120 15.40986 11.34610   17.58645 11.34610   17.58645 ?          ?        39.45120 15.40986 ?        ?        ?         ?        
1 1 1 3  23 19 o 178.1644 8.278830 325.0657   29.49986 325.0657   29.49986 ?          ?        178.1644 8.278830 ?        ?        ?         ?        
1 1 1 3  24 0  o 853.7105 17.82636 7335.252   304.0754 7335.252   304.0754 7335.252   304.0754 853.7105 17.82636 853.7105 17.82636 -0.000000 0.000000 
1 1 1 3  24 1  o 81.44339 4.527663 66.37468   7.374964 66.37468   7.374964 ?          ?        81.44339 4.527663 ?        ?        ?         ?        
1 1 1 3  24 2  o 846.5968 12.53088 7204.206   212.1721 7204.206   212.1721 ?          ?        846.5968 12.53088 ?        ?        ?         ?        
1 1 1 3  24 3  o 211.2415 4.028362 446.4690   17.01915 446.4690   17.01915 ?          ?        211.2415 4.028362 ?        ?        ?         ?        
1 1 1 3  24 4  o 836.9177 12.40466 7039.120   207.6336 7039.120   207.6336 ?          ?        836.9177 12.40466 ?        ?        ?         ?        
1 1 1 3  24 5  o 84.84576 4.680417 72.04772   7.942269 72.04772   7.942269 ?          ?        84.84576 4.680417 ?        ?        ?         ?        
1 1 1 3  24 6  o 510.5401 7.778301 2611.304   79.42269 2611.304   79.42269 ?          ?        510.5401 7.778301 ?        ?        ?         ?        
1 1 1 3  24 7  o 123.2552 5.753355 152.0377   14.18262 152.0377   14.18262 ?          ?        123.2552 5.753355 ?        ?        ?         ?        
1 1 1 3  24 8  o 159.5660 4.977418 254.7199   15.88454 254.7199   15.88454 ?          ?        159.5660 4.977418 ?        ?        ?         ?        
1 1 1 3  24 9  o 240.3517 5.664749 578.0837   27.23064 578.0837   27.23064 ?          ?        240.3517 5.664749 ?        ?        ?         ?        
1 1 1 3  24 10 o 712.0037 15.57690 5100.071   221.8162 5100.071   221.8162 ?          ?        712.0037 15.57690 ?        ?        ?         ?        
1 1 1 3  24 11 o 52.84520 10.02486 28.93255   10.21149 28.93255   10.21149 ?          ?        52.84520 10.02486 ?        ?        ?         ?        
1 1 1 3  24 12 o 242.6590 7.247395 589.9972   35.17290 589.9972   35.17290 ?          ?        242.6590 7.247395 ?        ?        ?         ?        
1 1 1 3  24 13 o 229.9662 6.413956 529.8629   29.49986 529.8629   29.49986 ?          ?        229.9662 6.413956 ?        ?        ?         ?        
1 1 1 3  24 14 o 102.2495 7.490125 104.9514   15.31723 104.9514   15.31723 ?          ?        102.2495 7.490125 ?        ?        ?         ?        
1 1 1 3  24 15 o 228.1111 7.460902 523.0552   34.03830 523.0552   34.03830 ?          ?        228.1111 7.460902 ?        ?        ?         ?        
1 1 1 3  24 16 o 143.8299 7.888553 208.7682   22.69220 208.7682   22.69220 ?          ?        143.8299 7.888553 ?        ?        ?         ?        
1 1 1 3  24 17 o 253.4844 8.168798 651.8334   41.41326 651.8334   41.41326 ?          ?        253.4844 8.168798 ?        ?        ?         ?        
1 1 1 3  24 18 o 29.62102 13.63625 -12.48071  18.72106 -12.48071  18.72106 ?          ?        29.62102 13.63625 ?        ?        ?         ?        
1 1 1 3  24 19 f 73.73396 13.97152 59.56702   19.85567 59.56702   19.85567 ?          ?        73.73396 13.97152 ?        ?        ?         ?        
1 1 1 3  25 0  o 697.4705 14.73674 4888.467   205.3644 4888.467   205.3644 4888.467   205.3644 697.4705 14.73674 697.4705 14.73674 -0.000000 0.000000 
1 1 1 3  25 1  o 105.9561 4.015615 112.3264   8.509575 112.3264   8.509575 ?          ?        105.9561 4.015615 ?        ?        ?         ?        
1 1 1 3  25 2  o 1071.536 15.69764 11575.29   336.4118 11575.29   336.4118 ?          ?        1071.536 15.69764 ?        ?        ?         ?        
1 1 1 3  25 3  o 190.6476 3.868375 363.6425   14.74993 363.6425   14.74993 ?          ?        190.6476 3.868375 ?        ?        ?         ?        
1 1 1 3  25 4  o 426.2186 6.721644 1819.347   57.29780 1819.347   57.29780 ?          ?        426.2186 6.721644 ?        ?        ?         ?        
1 1 1 3  25 5  o 63.85825 6.218671 40.84595   7.942269 40.84595   7.942269 ?          ?        63.85825 6.218671 ?        ?        ?         ?        
1 1 1 3  25 6  o 499.8488 11.69002 2508.055   116.8648 2508.055   116.8648 ?          ?        499.8488 11.69002 ?        ?        ?         ?        
1 1 1 3  25 7  o 200.2102 5.525416 401.0846   22.12490 401.0846   22.12490 ?          ?        200.2102 5.525416 ?        ?        ?         ?        
1 1 1 3  25 8  o 352.8364 8.039207 1246.369   56.73050 1246.369   56.73050 ?          ?        352.8364 8.039207 ?        ?        ?         ?        
1 1 1 3  25 9  o 121.1892 4.681151 146.9320   11.34610 146.9320   11.34610 ?          ?        121.1892 4.681151 ?        ?        ?         ?        
1 1 1 3  25 10 o 300.1448 7.087892 902.0149   42.54787 902.0149   42.54787 ?          ?        300.1448 7.087892 ?        ?        ?         ?        
1 1 1 3  25 11 o 64.73235 7.887470 41.98057   10.21149 41.98057   10.21149 ?          ?        64.73235 7.887470 ?        ?        ?         ?        
1 1 1 3  25 12 o 253.8191 7.599260 645.5931   38.57674 645.5931   38.57674 ?          ?        253.8191 7.599260 ?        ?        ?         ?        
1 1 1 3  25 13 o 96.92818 7.316048 94.17262   14.18262 94.17262   14.18262 ?          ?        96.92818 7.316048 ?        ?        ?         ?        
1 1 1 3  25 14 o 134.1618 5.708491 180.4030   15.31723 180.4030   15.31723 ?          ?        134.1618 5.708491 ?        ?        ?         ?        
1 1 1 3  25 15 o 147.0282 6.752335 217.2778   19.85567 217.2778   19.85567 ?          ?        147.0282 6.752335 ?        ?        ?         ?        
1 1 1 3  25 16 o 243.1745 8.165195 597.3721   39.71135 597.3721   39.71135 ?          ?        243.1745 8.165195 ?        ?        ?         ?        
1 1 1 3  25 17 o 56.37737 15.23500 34.60560   17.58645 34.60560   17.58645 ?          ?        56.37737 15.23500 ?        ?        ?         ?        
1 1 1 3  25 18 o 125.8565 8.564351 161.6819   21.55759 161.6819   21.55759 ?          ?        125.8565 8.564351 ?        ?        ?         ?        
1 1 1 3  26 0  o 72.73248 7.146113 54.46128   10.21149 54.46128   10.21149 54.46128   10.21149 72.73248 7.146113 72.73248 7.146113 -0.000000 0.000000 
1 1 1 3  26 1  o 128.2348 3.760361 164.5184   9.644185 164.5184   9.644185 ?          ?        128.2348 3.760361 ?        ?        ?         ?        
1 1 1 3  26 2  o 239.6536 4.260937 574.6800   20.42298 574.6800   20.42298 ?          ?        239.6536 4.260937 ?        ?        ?         ?        
1 1 1 3  26 3  o 186.1345 3.809778 346.6233   14.18262 346.6233   14.18262 ?          ?        186.1345 3.809778 ?        ?        ?         ?        
1 1 1 3  26 4  o 582.5958 8.812473 3403.830   102.6822 3403.830   102.6822 ?          ?        582.5958 8.812473 ?        ?        ?         ?        
1 1 1 3  26 5  o 60.20752 6.595746 36.30752   7.942269 36.30752   7.942269 ?          ?        60.20752 6.595746 ?        ?        ?         ?        
1 1 1 3  26 6  o 266.2274 6.712347 709.6985   35.74022 709.6985   35.74022 ?          ?        266.2274 6.712347 ?        ?        ?         ?        
1 1 1 3  26 7  o 95.84664 4.735106 91.90340   9.076880 91.90340   9.076880 ?          ?        95.84664 4.735106 ?        ?        ?         ?        
1 1 1 3  26 8  o 245.1374 5.901293 601.3433   28.93255 601.3433   28.93255 ?          ?        245.1374 5.901293 ?        ?        ?         ?        
1 1 1 3  26 9  o 45.47869 10.22787 21.55759   9.076880 21.55759   9.076880 ?          ?        45.47869 10.22787 ?        ?        ?         ?        
1 1 1 3  26 10 o 466.5432 10.45739 2182.989   97.57646 2182.989   97.57646 ?          ?        466.5432 10.45739 ?        ?        ?         ?        
1 1 1 3  26 11 o 74.12055 7.271124 55.02858   10.77879 55.02858   10.77879 ?          ?        74.12055 7.271124 ?        ?        ?         ?        
1 1 1 3  26 12 o 414.7509 9.506355 1725.742   78.85539 1725.742   78.85539 ?          ?        414.7509 9.506355 ?        ?        ?         ?        
1 1 1 3  26 13 o 365.0518 8.624921 1337.138   62.97085 1337.138   62.97085 ?          ?        365.0518 8.624921 ?        ?        ?         ?        
1 1 1 3  26 14 o 240.4421 6.488417 579.7856   31.20177 579.7856   31.20177 ?          ?        240.4421 6.488417 ?        ?        ?         ?        
1 1 1 3  26 15 o 137.1171 6.206065 188.9126   17.01915 188.9126   17.01915 ?          ?        137.1171 6.206065 ?        ?        ?         ?        
1 1 1 3  26 16 f 159.6321 6.219200 256.4218   19.85567 256.4218   19.85567 ?          ?        159.6321 6.219200 ?        ?        ?         ?        
1 1 1 3  26 17 o 169.9361 8.345858 293.2967   28.36525 293.2967   28.36525 ?          ?        169.9361 8.345858 ?        ?        ?         ?        
1 1 1 3  26 18 o 55.01030 15.71392 33.47099   18.15376 33.47099   18.15376 ?          ?        55.01030 15.71392 ?        ?        ?         ?        
1 1 1 3  27 0  o 567.9951 12.04743 3238.177   136.7205 3238.177   136.7205 3238.177   136.7205 567.9951 12.04743 567.9951 12.04743 -0.000000 0.000000 
1 1 1 3  27 1  o 94.94344 4.481391 90.20149   8.509575 90.20149   8.509575 ?          ?        94.94344 4.481391 ?        ?        ?         ?        
1 1 1 3  27 2  o 671.4133 10.01256 4522.556   134.4513 4522.556   134.4513 ?          ?        671.4133 10.01256 ?        ?        ?         ?        
1 1 1 3  27 3  o 154.6911 3.667342 239.4027   11.34610 239.4027   11.34610 ?          ?        154.6911 3.667342 ?        ?        ?         ?        
1 1 1 3  27 4  o 421.3354 6.597580 1778.501   55.59589 1778.501   55.59589 ?          ?        421.3354 6.597580 ?        ?        ?         ?        
1 1 1 3  27 5  o 270.9310 5.444164 734.6599   29.49986 734.6599   29.49986 ?          ?        270.9310 5.444164 ?        ?        ?         ?        
1 1 1 3  27 6  f 815.2582 18.92737 6704.978   308.6139 6704.978   308.6139 ?          ?        815.2582 18.92737 ?        ?        ?         ?        
1 1 1 3  27 7  f 175.9613 4.836047 309.7485   17.01915 309.7485   17.01915 ?          ?        175.9613 4.836047 ?        ?        ?         ?        
1 1 1 3  27 8  o 589.3654 12.85030 3486.089   151.4704 3486.089   151.4704 ?          ?        589.3654 12.85030 ?        ?        ?         ?        
1 1 1 3  27 9  o 219.2504 5.821818 481.0746   25.52872 481.0746   25.52872 ?          ?        219.2504 5.821818 ?        ?        ?         ?        
1 1 1 3  27 10 o 973.2857 21.33326 9599.935   415.2672 9599.935   415.2672 ?          ?        973.2857 21.33326 ?        ?        ?         ?        
1 1 1 3  27 11 o 275.7980 6.993658 761.8906   38.57674 761.8906   38.57674 ?          ?        275.7980 6.993658 ?        ?        ?         ?        
1 1 1 3  27 12 o 403.6798 9.977872 1635.540   80.55730 1635.540   80.55730 ?          ?        403.6798 9.977872 ?        ?        ?         ?        
1 1 1 3  27 13 o 385.8089 9.043145 1494.849   69.77851 1494.849   69.77851 ?          ?        385.8089 9.043145 ?        ?        ?         ?        
1 1 1 3  27 14 o 106.8842 6.634577 114.5956   14.18262 114.5956   14.18262 ?          ?        106.8842 6.634577 ?        ?        ?         ?        
1 1 1 3  27 15 o 159.6594 6.928778 256.4218   22.12490 256.4218   22.12490 ?          ?        159.6594 6.928778 ?        ?        ?         ?        
1 1 1 3  27 16 o 244.4919 7.309078 603.0452   35.74022 603.0452   35.74022 ?          ?        244.4919 7.309078 ?        ?        ?         ?        
1 1 1 3  27 17 o 43.23494 15.70958 17.01915   17.58645 17.01915   17.58645 ?          ?        43.23494 15.70958 ?        ?        ?         ?        
1 1 1 3  27 18 o 88.21378 11.57584 81.12460   20.42298 81.12460   20.42298 ?          ?        88.21378 11.57584 ?        ?        ?         ?        
1 1 1 3  28 0  o 246.3172 5.996072 608.1509   29.49986 608.1509   29.49986 608.1509   29.49986 246.3172 5.996072 246.3172 5.996072 -0.000000 0.000000 
1 1 1 3  28 1  o 190.4990 3.871393 363.0752   14.74993 363.0752   14.74993 ?          ?        190.4990 3.871393 ?        ?        ?         ?        
1 1 1 3  28 2  o 271.1543 4.707417 735.7945   25.52872 735.7945   25.52872 ?          ?        271.1543 4.707417 ?        ?        ?         ?        
1 1 1 3  28 3  o 167.6953 3.890393 281.3832   13.04801 281.3832   13.04801 ?          ?        167.6953 3.890393 ?        ?        ?         ?        
1 1 1 3  28 4  o 666.4982 14.00179 4474.901   186.6433 4474.901   186.6433 ?          ?        666.4982 14.00179 ?        ?        ?         ?        
1 1 1 3  28 5  o 191.5149 5.035737 367.0463   19.28837 367.0463   19.28837 ?          ?        191.5149 5.035737 ?        ?        ?         ?        
1 1 1 3  28 6  o 298.2173 6.563006 890.1014   39.14404 890.1014   39.14404 ?          ?        298.2173 6.563006 ?        ?        ?         ?        
1 1 1 3  28 7  o 168.0528 4.557268 282.5179   15.31723 282.5179   15.31723 ?          ?        168.0528 4.557268 ?        ?        ?         ?        
1 1 1 3  28 8  o 350.5706 7.524784 1230.484   52.75936 1230.484   52.75936 ?          ?        350.5706 7.524784 ?        ?        ?         ?        
1 1 1 3  28 9  o 91.89670 6.173290 84.52843   11.34610 84.52843   11.34610 ?          ?        91.89670 6.173290 ?        ?        ?         ?        
1 1 1 3  28 10 o 371.3187 8.708525 1381.955   64.67276 1381.955   64.67276 ?          ?        371.3187 8.708525 ?        ?        ?         ?        
1 1 1 3  28 11 o 273.9193 7.041625 751.6791   38.57674 751.6791   38.57674 ?          ?        273.9193 7.041625 ?        ?        ?         ?        
1 1 1 3  28 12 o 582.9163 13.13845 3421.416   153.1723 3421.416   153.1723 ?          ?        582.9163 13.13845 ?        ?        ?         ?        
1 1 1 3  28 13 o 254.8878 6.677115 651.2661   34.03830 651.2661   34.03830 ?          ?        254.8878 6.677115 ?        ?        ?         ?        
1 1 1 3  28 14 o 516.7607 12.62481 2704.910   130.4801 2704.910   130.4801 ?          ?        516.7607 12.62481 ?        ?        ?         ?        
1 1 1 3  28 15 o 224.8886 6.432640 508.3052   28.93255 508.3052   28.93255 ?          ?        224.8886 6.432640 ?        ?        ?         ?        
1 1 1 3  28 16 o 217.7613 6.643180 477.6707   28.93255 477.6707   28.93255 ?          ?        217.7613 6.643180 ?        ?        ?         ?        
1 1 1 3  28 17 o 45.14896 16.22772 19.28837   18.72106 19.28837   18.72106 ?          ?        45.14896 16.22772 ?        ?        ?         ?        
1 1 1 3  28 18 o 110.1312 9.529671 124.8071   20.99029 124.8071   20.99029 ?          ?        110.1312 9.529671 ?        ?        ?         ?        
1 1 1 3  29 0  f 322.5842 7.483110 1043.274   48.22092 1043.274   48.22092 1043.274   48.22092 322.5842 7.483110 322.5842 7.483110 -0.000000 0.000000 
1 1 1 3  29 1  o 231.0882 4.541617 534.4012   20.99029 534.4012   20.99029 ?          ?        231.0882 4.541617 ?        ?        ?         ?        
1 1 1 3  29 2  o 194.7609 3.786676 379.5270   14.74993 379.5270   14.74993 ?          ?        194.7609 3.786676 ?        ?        ?         ?        
1 1 1 3  29 3  o 134.4462 5.274459 180.9703   14.18262 180.9703   14.18262 ?          ?        134.4462 5.274459 ?        ?        ?         ?        
1 1 1 3  29 4  o 427.7184 6.764394 1831.828   57.86510 1831.828   57.86510 ?          ?        427.7184 6.764394 ?        ?        ?         ?        
1 1 1 3  29 5  o 151.3490 4.497990 229.1912   13.61532 229.1912   13.61532 ?          ?        151.3490 4.497990 ?        ?        ?         ?        
1 1 1 3  29 6  o 498.4240 12.74781 2491.604   127.0763 2491.604   127.0763 ?          ?        498.4240 12.74781 ?        ?        ?         ?        
1 1 1 3  29 7  o 250.1811 5.782323 626.3047   28.93255 626.3047   28.93255 ?          ?        250.1811 5.782323 ?        ?        ?         ?        
1 1 1 3  29 8  o 809.1951 18.82381 6593.786   304.6428 6593.786   304.6428 ?          ?        809.1951 18.82381 ?        ?        ?         ?        
1 1 1 3  29 9  o 486.3962 11.02194 2373.036   107.2206 2373.036   107.2206 ?          ?        486.3962 11.02194 ?        ?        ?         ?        
1 1 1 3  29 10 o 1003.919 25.65511 10276.16   515.1129 10276.16   515.1129 ?          ?        1003.919 25.65511 ?        ?        ?         ?        
1 1 1 3  29 11 o 239.1904 6.285194 572.9780   30.06716 572.9780   30.06716 ?          ?        239.1904 6.285194 ?        ?        ?         ?        
1 1 1 3  29 12 o 618.3838 14.72426 3861.645   182.1049 3861.645   182.1049 ?          ?        618.3838 14.72426 ?        ?        ?         ?        
1 1 1 3  29 13 o 146.6519 6.382825 215.5759   18.72106 215.5759   18.72106 ?          ?        146.6519 6.382825 ?        ?        ?         ?        
1 1 1 3  29 14 o 249.2288 7.170161 624.0355   35.74022 624.0355   35.74022 ?          ?        249.2288 7.170161 ?        ?        ?         ?        
1 1 1 3  29 15 o 93.44813 7.284961 87.93227   13.61532 87.93227   13.61532 ?          ?        93.44813 7.284961 ?        ?        ?         ?        
1 1 1 3  29 16 o 179.8435 7.097484 326.2003   25.52872 326.2003   25.52872 ?          ?        179.8435 7.097484 ?        ?        ?         ?        
1 1 1 3  29 17 o 56.13797 12.89580 34.03830   14.18262 34.03830   14.18262 ?          ?        56.13797 12.89580 ?        ?        ?         ?        
1 1 1 3  29 18 o 71.71584 13.94540 56.16319   19.28837 56.16319   19.28837 ?          ?        71.71584 13.94540 ?        ?        ?         ?        
1 1 1 3  30 0  o 381.7269 8.480389 1461.378   64.67276 1461.378   64.67276 1461.378   64.67276 381.7269 8.480389 381.7269 8.480389 -0.000000 0.000000 
1 1 1 3  30 1  o 118.5685 4.306157 140.6916   10.21149 140.6916   10.21149 ?          ?        118.5685 4.306157 ?        ?        ?         ?        
1 1 1 3  30 2  o 184.5652 4.610607 340.9503   17.01915 340.9503   17.01915 ?          ?        184.5652 4.610607 ?        ?        ?         ?        
1 1 1 3  30 3  o 160.6236 3.885080 258.1238   12.48071 258.1238   12.48071 ?          ?        160.6236 3.885080 ?        ?        ?         ?        
1 1 1 3  30 4  f 439.8224 9.093444 1939.048   79.99000 1939.048   79.99000 ?          ?        439.8224 9.093444 ?        ?        ?         ?        
1 1 1 3  30 5  o 313.6726 6.691781 984.8415   41.98057 984.8415   41.98057 ?          ?        313.6726 6.691781 ?        ?        ?         ?        
1 1 1 3  30 6  f 848.0012 24.25092 7263.206   411.2961 7263.206   411.2961 ?          ?        848.0012 24.25092 ?        ?        ?         ?        
1 1 1 3  30 7  f 368.0769 9.709986 1357.561   71.48043 1357.561   71.48043 ?          ?        368.0769 9.709986 ?        ?        ?         ?        
1 1 1 3  30 8  o 476.4203 9.823816 2274.326   93.60532 2274.326   93.60532 ?          ?        476.4203 9.823816 ?        ?        ?         ?        
1 1 1 3  30 9  o 321.3291 7.856452 1034.197   50.49014 1034.197   50.49014 ?          ?        321.3291 7.856452 ?        ?        ?         ?        
1 1 1 3  30 10 f 1020.317 23.99177 10590.45   489.5842 10590.45   489.5842 ?          ?        1020.317 23.99177 ?        ?        ?         ?        
1 1 1 3  30 11 o 240.3665 6.490457 578.6511   31.20177 578.6511   31.20177 ?          ?        240.3665 6.490457 ?        ?        ?         ?        
1 1 1 3  30 12 f 241.4955 6.460114 584.3241   31.20177 584.3241   31.20177 ?          ?        241.4955 6.460114 ?        ?        ?         ?        
1 1 1 3  30 13 o 365.9650 8.758413 1346.215   64.10546 1346.215   64.10546 ?          ?        365.9650 8.758413 ?        ?        ?         ?        
1 1 1 3  30 14 o 324.7209 7.949096 1060.293   51.62476 1060.293   51.62476 ?          ?        324.7209 7.949096 ?        ?        ?         ?        
1 1 1 3  30 15 o 211.7642 6.295525 451.0074   26.66333 451.0074   26.66333 ?          ?        211.7642 6.295525 ?        ?        ?         ?        
1 1 1 3  30 16 o 100.9638 8.428346 103.2495   17.01915 103.2495   17.01915 ?          ?        100.9638 8.428346 ?        ?        ?         ?        
1 1 1 3  30 17 o 79.74094 8.181502 64.67276   13.04801 64.67276   13.04801 ?          ?        79.74094 8.181502 ?        ?        ?         ?        
1 1 1 3  30 18 o 129.3611 8.990149 171.8934   23.25950 171.8934   23.25950 ?          ?        129.3611 8.990149 ?        ?        ?         ?        
1 1 1 3  31 0  o 22.81358 14.39441 2.836525   13.61532 2.836525   13.61532 2.836525   13.61532 22.81358 14.39441 22.81358 14.39441 -0.000000 0.000000 
1 1 1 3  31 1  o 142.2428 4.985358 202.5279   14.18262 202.5279   14.18262 ?          ?        142.2428 4.985358 ?        ?        ?         ?        
1 1 1 3  31 2  f 379.5307 5.979016 1442.089   45.38440 1442.089   45.38440 ?          ?        379.5307 5.979016 ?        ?        ?         ?        
1 1 1 3  31 3  o 266.1670 5.861316 709.1312   31.20177 709.1312   31.20177 ?          ?        266.1670 5.861316 ?        ?        ?         ?        
1 1 1 3  31 4  o 807.6058 16.15641 6567.122   260.9603 6567.122   260.9603 ?          ?        807.6058 16.15641 ?        ?        ?         ?        
1 1 1 3  31 5  o 142.8789 4.764637 204.2298   13.61532 204.2298   13.61532 ?          ?        142.8789 4.764637 ?        ?        ?         ?        
1 1 1 3  31 6  o 1646.543 47.66754 28187.12   1569.733 28187.12   1569.733 ?          ?        1646.543 47.66754 ?        ?        ?         ?        
1 1 1 3  31 7  o 323.5492 8.240891 1048.380   53.32666 1048.380   53.32666 ?          ?        323.5492 8.240891 ?        ?        ?         ?        
1 1 1 3  31 8  o 918.3665 28.66280 8595.805   526.4590 8595.805   526.4590 ?          ?        918.3665 28.66280 ?        ?        ?         ?        
1 1 1 3  31 9  o 141.6382 6.007968 200.8260   17.01915 200.8260   17.01915 ?          ?        141.6382 6.007968 ?        ?        ?         ?        
1 1 1 3  31 10 o 326.8595 7.897086 1070.505   51.62476 1070.505   51.62476 ?          ?        326.8595 7.897086 ?        ?        ?         ?        
1 1 1 3  31 11 o 276.9117 6.965532 768.1308   38.57674 768.1308   38.57674 ?          ?        276.9117 6.965532 ?        ?        ?         ?        
1 1 1 3  31 12 o 423.6640 9.708073 1802.328   82.25922 1802.328   82.25922 ?          ?        423.6640 9.708073 ?        ?        ?         ?        
1 1 1 3  31 13 o 285.8763 7.342436 820.3230   41.98057 820.3230   41.98057 ?          ?        285.8763 7.342436 ?        ?        ?         ?        
1 1 1 3  31 14 o 78.35853 8.325842 61.83624   13.04801 61.83624   13.04801 ?          ?        78.35853 8.325842 ?        ?        ?         ?        
1 1 1 3  31 15 o 96.62849 7.632288 94.17262   14.74993 94.17262   14.74993 ?          ?        96.62849 7.632288 ?        ?        ?         ?        
1 1 1 3  31 16 o 115.4323 6.634727 134.4513   15.31723 134.4513   15.31723 ?          ?        115.4323 6.634727 ?        ?        ?         ?        
1 1 1 3  31 17 o 76.19481 9.679090 59.56702   14.74993 59.56702   14.74993 ?          ?        76.19481 9.679090 ?        ?        ?         ?        
1 1 1 3  31 18 o 102.3903 8.033889 107.2206   16.45185 107.2206   16.45185 ?          ?        102.3903 8.033889 ?        ?        ?         ?        
1 1 1 3  32 0  o 398.2227 12.85073 1594.694   102.1149 1594.694   102.1149 1594.694   102.1149 398.2227 12.85073 398.2227 12.85073 -0.000000 0.000000 
1 1 1 3  32 1  o 164.8045 4.130748 271.7391   13.61532 271.7391   13.61532 ?          ?        164.8045 4.130748 ?        ?        ?         ?        
1 1 1 3  32 2  o 601.9782 12.10986 3638.694   145.7974 3638.694   145.7974 ?          ?        601.9782 12.10986 ?        ?        ?         ?        
1 1 1 3  32 3  o 277.1100 6.039297 768.6982   33.47099 768.6982   33.47099 ?          ?        277.1100 6.039297 ?        ?        ?         ?        
1 1 1 3  32 4  o 323.0144 6.937321 1044.408   44.81709 1044.408   44.81709 ?          ?        323.0144 6.937321 ?        ?        ?         ?        
1 1 1 3  32 5  o 192.8709 5.000332 372.1520   19.28837 372.1520   19.28837 ?          ?        192.8709 5.000332 ?        ?        ?         ?        
1 1 1 3  32 6  o 734.5131 18.57514 5432.512   272.8737 5432.512   272.8737 ?          ?        734.5131 18.57514 ?        ?        ?         ?        
1 1 1 3  32 7  o 193.5771 6.007813 374.9886   23.25950 374.9886   23.25950 ?          ?        193.5771 6.007813 ?        ?        ?         ?        
1 1 1 3  32 8  o 206.1898 5.640315 425.4788   23.25950 425.4788   23.25950 ?          ?        206.1898 5.640315 ?        ?        ?         ?        
1 1 1 3  32 9  o 198.7513 5.708693 395.4115   22.69220 395.4115   22.69220 ?          ?        198.7513 5.708693 ?        ?        ?         ?        
1 1 1 3  32 10 o 657.3922 14.54092 4354.065   191.1818 4354.065   191.1818 ?          ?        657.3922 14.54092 ?        ?        ?         ?        
1 1 1 3  32 11 o 301.4393 7.433849 910.5245   44.81709 910.5245   44.81709 ?          ?        301.4393 7.433849 ?        ?        ?         ?        
1 1 1 3  32 12 o 422.8635 9.726452 1796.655   82.25922 1796.655   82.25922 ?          ?        422.8635 9.726452 ?        ?        ?         ?        
1 1 1 3  32 13 o 346.9555 8.338981 1209.494   57.86510 1209.494   57.86510 ?          ?        346.9555 8.338981 ?        ?        ?         ?        
1 1 1 3  32 14 o 213.0545 6.257397 456.1132   26.66333 456.1132   26.66333 ?          ?        213.0545 6.257397 ?        ?        ?         ?        
1 1 1 3  32 15 o 113.3277 6.757938 129.3455   15.31723 129.3455   15.31723 ?          ?        113.3277 6.757938 ?        ?        ?         ?        
1 1 1 3  32 16 o 121.9828 6.743507 150.3358   16.45185 150.3358   16.45185 ?          ?        121.9828 6.743507 ?        ?        ?         ?        
1 1 1 3  32 17 o 105.1750 8.630260 112.8937   18.15376 112.8937   18.15376 ?          ?        105.1750 8.630260 ?        ?        ?         ?        
1 1 1 3  32 18 o 64.18762 9.722053 42.54787   12.48071 42.54787   12.48071 ?          ?        64.18762 9.722053 ?        ?        ?         ?        
1 1 1 3  33 0  o 577.1702 23.47736 3373.763   270.0372 3373.763   270.0372 3373.763   270.0372 577.1702 23.47736 577.1702 23.47736 -0.000000 0.000000 
1 1 1 3  33 1  o 224.3231 6.195962 503.7668   27.79794 503.7668   27.79794 ?          ?        224.3231 6.195962 ?        ?        ?         ?        
1 1 1 3  33 2  o 901.1215 18.00526 8194.720   324.4984 8194.720   324.4984 ?          ?        901.1215 18.00526 ?        ?        ?         ?        
1 1 1 3  33 3  o 341.9628 7.714197 1170.917   52.75936 1170.917   52.75936 ?          ?        341.9628 7.714197 ?        ?        ?         ?        
1 1 1 3  33 4  o 291.2165 6.331171 848.6883   36.87482 848.6883   36.87482 ?          ?        291.2165 6.331171 ?        ?        ?         ?        
1 1 1 3  33 5  o 236.2036 5.644142 558.2281   26.66333 558.2281   26.66333 ?          ?        236.2036 5.644142 ?        ?        ?         ?        
1 1 1 3  33 6  o 669.3002 19.11358 4515.748   255.8545 4515.748   255.8545 ?          ?        669.3002 19.11358 ?        ?        ?         ?        
1 1 1 3  33 7  f 476.1129 10.48550 2272.057   99.84568 2272.057   99.84568 ?          ?        476.1129 10.48550 ?        ?        ?         ?        
1 1 1 3  33 8  o 187.6245 5.442515 352.2964   20.42298 352.2964   20.42298 ?          ?        187.6245 5.442515 ?        ?        ?         ?        
1 1 1 3  33 9  o 57.80608 10.70697 34.60560   11.91340 34.60560   11.91340 ?          ?        57.80608 10.70697 ?        ?        ?         ?        
1 1 1 3  33 10 o 315.0046 7.654002 994.4856   48.22092 994.4856   48.22092 ?          ?        315.0046 7.654002 ?        ?        ?         ?        
1 1 1 3  33 11 o 118.0303 6.488690 139.5570   15.31723 139.5570   15.31723 ?          ?        118.0303 6.488690 ?        ?        ?         ?        
1 1 1 3  33 12 o 146.8127 7.148662 216.1432   20.99029 216.1432   20.99029 ?          ?        146.8127 7.148662 ?        ?        ?         ?        
1 1 1 3  33 13 o 398.1045 9.405102 1595.261   74.88425 1595.261   74.88425 ?          ?        398.1045 9.405102 ?        ?        ?         ?        
1 1 1 3  33 14 o 113.8867 6.973835 130.4801   15.88454 130.4801   15.88454 ?          ?        113.8867 6.973835 ?        ?        ?         ?        
1 1 1 3  33 15 o 229.4702 6.675043 530.4301   30.63447 530.4301   30.63447 ?          ?        229.4702 6.675043 ?        ?        ?         ?        
1 1 1 3  33 16 o 258.2215 6.920455 673.9583   35.74022 673.9583   35.74022 ?          ?        258.2215 6.920455 ?        ?        ?         ?        
1 1 1 3  33 17 o 36.48962 14.53009 8.509575   15.88454 8.509575   15.88454 ?          ?        36.48962 14.53009 ?        ?        ?         ?        
1 1 1 3  34 0  o 25.93130 15.85776 6.240355   15.31723 6.240355   15.31723 6.240355   15.31723 25.93130 15.85776 25.93130 15.85776 -0.000000 0.000000 
1 1 1 3  34 1  o 94.61836 6.895075 89.63419   13.04801 89.63419   13.04801 ?          ?        94.61836 6.895075 ?        ?        ?         ?        
1 1 1 3  34 2  o 304.6095 8.287683 929.2455   50.49014 929.2455   50.49014 ?          ?        304.6095 8.287683 ?        ?        ?         ?        
1 1 1 3  34 3  o 503.4171 10.25487 2539.257   103.2495 2539.257   103.2495 ?          ?        503.4171 10.25487 ?        ?        ?         ?        
1 1 1 3  34 4  o 595.6305 12.76276 3557.569   152.0377 3557.569   152.0377 ?          ?        595.6305 12.76276 ?        ?        ?         ?        
1 1 1 3  34 5  o 235.0863 6.515580 553.1223   30.63447 553.1223   30.63447 ?          ?        235.0863 6.515580 ?        ?        ?         ?        
1 1 1 3  34 6  o 145.0213 6.063406 210.4701   17.58645 210.4701   17.58645 ?          ?        145.0213 6.063406 ?        ?        ?         ?        
1 1 1 3  34 7  o 415.5922 10.85217 1731.982   90.20149 1731.982   90.20149 ?          ?        415.5922 10.85217 ?        ?        ?         ?        
1 1 1 3  34 8  o 681.7477 21.42743 4708.631   292.1620 4708.631   292.1620 ?          ?        681.7477 21.42743 ?        ?        ?         ?        
1 1 1 3  34 9  o 429.3568 9.777548 1848.847   83.96114 1848.847   83.96114 ?          ?        429.3568 9.777548 ?        ?        ?         ?        
1 1 1 3  34 10 o 364.7826 8.631286 1334.301   62.97085 1334.301   62.97085 ?          ?        364.7826 8.631286 ?        ?        ?         ?        
1 1 1 3  34 11 o 88.02526 8.055997 77.72078   14.18262 77.72078   14.18262 ?          ?        88.02526 8.055997 ?        ?        ?         ?        
1 1 1 3  34 12 o 295.9983 8.528788 879.8900   50.49014 879.8900   50.49014 ?          ?        295.9983 8.528788 ?        ?        ?         ?        
1 1 1 3  34 13 o 110.9728 6.901349 123.6725   15.31723 123.6725   15.31723 ?          ?        110.9728 6.901349 ?        ?        ?         ?        
1 1 1 3  34 14 o 49.18415 13.45610 25.52872   13.61532 25.52872   13.61532 ?          ?        49.18415 13.45610 ?        ?        ?         ?        
1 1 1 3  34 15 o 224.2107 6.325578 506.0360   28.36525 506.0360   28.36525 ?          ?        224.2107 6.325578 ?        ?        ?         ?        
1 1 1 3  34 16 o 77.16621 10.66001 61.26894   16.45185 61.26894   16.45185 ?          ?        77.16621 10.66001 ?        ?        ?         ?        
1 1 1 3  34 17 o 179.3220 6.327222 325.6331   22.69220 325.6331   22.69220 ?          ?        179.3220 6.327222 ?        ?        ?         ?        
1 1 1 3  35 0  o 393.1359 11.49372 1551.579   90.20149 1551.579   90.20149 1551.579   90.20149 393.1359 11.49372 393.1359 11.49372 -0.000000 0.000000 
1 1 1 3  35 1  o 434.1081 8.886436 1887.424   77.15348 1887.424   77.15348 ?          ?        434.1081 8.886436 ?        ?        ?         ?        
1 1 1 3  35 2  o 864.8591 19.87531 7534.377   343.7868 7534.377   343.7868 ?          ?        864.8591 19.87531 ?        ?        ?         ?        
1 1 1 3  35 3  o 370.4256 8.882671 1374.013   65.80738 1374.013   65.80738 ?          ?        370.4256 8.882671 ?        ?        ?         ?        
1 1 1 3  35 4  f 558.2126 12.04302 3124.148   134.4513 3124.148   134.4513 ?          ?        558.2126 12.04302 ?        ?        ?         ?        
1 1 1 3  35 5  o 241.3608 7.051332 583.1895   34.03830 583.1895   34.03830 ?          ?        241.3608 7.051332 ?        ?        ?         ?        
1 1 1 3  35 6  o 875.3367 24.78979 7756.761   433.9883 7756.761   433.9883 ?          ?        875.3367 24.78979 ?        ?        ?         ?        
1 1 1 3  35 7  o 217.8133 5.860230 474.8342   25.52872 474.8342   25.52872 ?          ?        217.8133 5.860230 ?        ?        ?         ?        
1 1 1 3  35 8  o 153.1760 5.740602 234.8643   17.58645 234.8643   17.58645 ?          ?        153.1760 5.740602 ?        ?        ?         ?        
1 1 1 3  35 9  o 330.7977 7.974567 1096.600   52.75936 1096.600   52.75936 ?          ?        330.7977 7.974567 ?        ?        ?         ?        
1 1 1 3  35 10 o 535.4293 13.82691 2886.448   148.0666 2886.448   148.0666 ?          ?        535.4293 13.82691 ?        ?        ?         ?        
1 1 1 3  35 11 o 156.5996 6.158499 245.6430   19.28837 245.6430   19.28837 ?          ?        156.5996 6.158499 ?        ?        ?         ?        
1 1 1 3  35 12 o 374.9930 9.455259 1414.859   70.91312 1414.859   70.91312 ?          ?        374.9930 9.455259 ?        ?        ?         ?        
1 1 1 3  35 13 o 140.4825 6.057393 197.9895   17.01915 197.9895   17.01915 ?          ?        140.4825 6.057393 ?        ?        ?         ?        
1 1 1 3  35 14 o 189.4594 6.138388 360.8060   23.25950 360.8060   23.25950 ?          ?        189.4594 6.138388 ?        ?        ?         ?        
1 1 1 3  35 15 o 232.4176 6.956526 544.6128   32.33638 544.6128   32.33638 ?          ?        232.4176 6.956526 ?        ?        ?         ?        
1 1 1 3  35 16 o 268.7360 7.177441 731.8234   38.57674 731.8234   38.57674 ?          ?        268.7360 7.177441 ?        ?        ?         ?        
1 1 1 3  35 17 o 76.23750 10.41780 60.13433   15.88454 60.13433   15.88454 ?          ?        76.23750 10.41780 ?        ?        ?         ?        
1 1 1 3  36 0  o 1231.653 34.74462 15369.99   854.3613 15369.99   854.3613 15369.99   854.3613 1231.653 34.74462 1231.653 34.74462 -0.000000 0.000000 
1 1 1 3  36 1  o 496.8365 10.04814 2472.882   99.84568 2472.882   99.84568 ?          ?        496.8365 10.04814 ?        ?        ?         ?        
1 1 1 3  36 2  o 966.5026 20.57319 9408.752   397.6808 9408.752   397.6808 ?          ?        966.5026 20.57319 ?        ?        ?         ?        
1 1 1 3  36 3  o 296.3316 6.413328 878.7554   38.00943 878.7554   38.00943 ?          ?        296.3316 6.413328 ?        ?        ?         ?        
1 1 1 3  36 4  o 597.6473 15.23515 3589.338   182.1049 3589.338   182.1049 ?          ?        597.6473 15.23515 ?        ?        ?         ?        
1 1 1 3  36 5  o 419.1059 12.45319 1762.049   104.3841 1762.049   104.3841 ?          ?        419.1059 12.45319 ?        ?        ?         ?        
1 1 1 3  36 6  o 652.2940 20.30767 4295.066   264.9314 4295.066   264.9314 ?          ?        652.2940 20.30767 ?        ?        ?         ?        
1 1 1 3  36 7  o 450.0406 14.55951 2036.625   131.0475 2036.625   131.0475 ?          ?        450.0406 14.55951 ?        ?        ?         ?        
1 1 1 3  36 8  o 319.4284 7.992002 1022.284   51.05745 1022.284   51.05745 ?          ?        319.4284 7.992002 ?        ?        ?         ?        
1 1 1 3  36 9  o 386.4476 10.34940 1499.387   79.99000 1499.387   79.99000 ?          ?        386.4476 10.34940 ?        ?        ?         ?        
1 1 1 3  36 10 o 326.1140 7.828159 1065.966   51.05745 1065.966   51.05745 ?          ?        326.1140 7.828159 ?        ?        ?         ?        
1 1 1 3  36 11 f 283.1589 7.312725 803.8712   41.41326 803.8712   41.41326 ?          ?        283.1589 7.312725 ?        ?        ?         ?        
1 1 1 3  36 12 o 410.8709 10.42457 1700.780   85.66305 1700.780   85.66305 ?          ?        410.8709 10.42457 ?        ?        ?         ?        
1 1 1 3  36 13 o 72.25091 10.20743 52.75936   14.74993 52.75936   14.74993 ?          ?        72.25091 10.20743 ?        ?        ?         ?        
1 1 1 3  36 14 o 229.2185 6.558626 528.7282   30.06716 528.7282   30.06716 ?          ?        229.2185 6.558626 ?        ?        ?         ?        
1 1 1 3  36 15 o 321.7029 8.023669 1047.245   51.62476 1047.245   51.62476 ?          ?        321.7029 8.023669 ?        ?        ?         ?        
1 1 1 3  36 16 o 233.7169 6.796485 552.5551   31.76908 552.5551   31.76908 ?          ?        233.7169 6.796485 ?        ?        ?         ?        
1 1 1 3  36 17 o 87.55737 8.099046 78.28809   14.18262 78.28809   14.18262 ?          ?        87.55737 8.099046 ?        ?        ?         ?        
1 1 1 3  37 0  o 647.9721 18.37454 4220.749   237.7008 4220.749   237.7008 4220.749   237.7008 647.9721 18.37454 647.9721 18.37454 -0.000000 0.000000 
1 1 1 3  37 1  o 503.4662 10.19753 2539.257   102.6822 2539.257   102.6822 ?          ?        503.4662 10.19753 ?        ?        ?         ?        
1 1 1 3  37 2  o 473.3434 9.647974 2244.259   91.33610 2244.259   91.33610 ?          ?        473.3434 9.647974 ?        ?        ?         ?        
1 1 1 3  37 3  o 58.20930 11.61915 35.17290   13.04801 35.17290   13.04801 ?          ?        58.20930 11.61915 ?        ?        ?         ?        
1 1 1 3  37 4  o 543.3986 12.63233 2963.034   137.2878 2963.034   137.2878 ?          ?        543.3986 12.63233 ?        ?        ?         ?        
1 1 1 3  37 5  o 776.2363 22.25410 6086.048   345.4887 6086.048   345.4887 ?          ?        776.2363 22.25410 ?        ?        ?         ?        
1 1 1 3  37 6  o 157.9098 6.466660 249.6142   20.42298 249.6142   20.42298 ?          ?        157.9098 6.466660 ?        ?        ?         ?        
1 1 1 3  37 7  f 82.43818 7.569738 68.07660   12.48071 68.07660   12.48071 ?          ?        82.43818 7.569738 ?        ?        ?         ?        
1 1 1 3  37 8  o 359.1373 9.635759 1293.455   69.21120 1293.455   69.21120 ?          ?        359.1373 9.635759 ?        ?        ?         ?        
1 1 1 3  37 9  o 534.5695 13.00015 2875.669   138.9897 2875.669   138.9897 ?          ?        534.5695 13.00015 ?        ?        ?         ?        
1 1 1 3  37 10 o 204.5708 6.378238 419.2384   26.09603 419.2384   26.09603 ?          ?        204.5708 6.378238 ?        ?        ?         ?        
1 1 1 3  37 11 o 394.9280 9.193454 1566.896   72.61504 1566.896   72.61504 ?          ?        394.9280 9.193454 ?        ?        ?         ?        
1 1 1 3  37 12 o 320.8967 7.867040 1034.197   50.49014 1034.197   50.49014 ?          ?        320.8967 7.867040 ?        ?        ?         ?        
1 1 1 3  37 13 o 310.2816 8.958941 972.3607   55.59589 972.3607   55.59589 ?          ?        310.2816 8.958941 ?        ?        ?         ?        
1 1 1 3  37 14 o 72.01485 10.63477 52.75936   15.31723 52.75936   15.31723 ?          ?        72.01485 10.63477 ?        ?        ?         ?        
1 1 1 3  37 15 o 94.00217 8.147276 89.63419   15.31723 89.63419   15.31723 ?          ?        94.00217 8.147276 ?        ?        ?         ?        
1 1 1 3  37 16 o 112.1451 7.335073 127.6436   16.45185 127.6436   16.45185 ?          ?        112.1451 7.335073 ?        ?        ?         ?        
1 1 1 3  37 17 o 38.03976 14.49363 11.91340   15.31723 11.91340   15.31723 ?          ?        38.03976 14.49363 ?        ?        ?         ?        
1 1 1 3  38 0  o 833.6541 23.58714 7002.813   392.5750 7002.813   392.5750 7002.813   392.5750 833.6541 23.58714 833.6541 23.58714 -0.000000 0.000000 
1 1 1 3  38 1  o 288.2721 6.395836 831.6691   36.87482 831.6691   36.87482 ?          ?        288.2721 6.395836 ?        ?        ?         ?        
1 1 1 3  38 2  o 175.2982 5.339778 307.4793   18.72106 307.4793   18.72106 ?          ?        175.2982 5.339778 ?        ?        ?         ?        
1 1 1 3  38 3  o 514.8138 12.17667 2658.958   125.3744 2658.958   125.3744 ?          ?        514.8138 12.17667 ?        ?        ?         ?        
1 1 1 3  38 4  o 254.4266 6.466243 647.8623   32.90369 647.8623   32.90369 ?          ?        254.4266 6.466243 ?        ?        ?         ?        
1 1 1 3  38 5  o 308.2281 7.730253 951.3704   47.65361 951.3704   47.65361 ?          ?        308.2281 7.730253 ?        ?        ?         ?        
1 1 1 3  38 6  o 537.8125 16.87741 2913.678   181.5376 2913.678   181.5376 ?          ?        537.8125 16.87741 ?        ?        ?         ?        
1 1 1 3  38 7  o 266.4044 7.240258 710.8331   38.57674 710.8331   38.57674 ?          ?        266.4044 7.240258 ?        ?        ?         ?        
1 1 1 3  38 8  o 390.7308 10.38114 1532.291   81.12460 1532.291   81.12460 ?          ?        390.7308 10.38114 ?        ?        ?         ?        
1 1 1 3  38 9  o 522.0069 13.80206 2743.487   144.0954 2743.487   144.0954 ?          ?        522.0069 13.80206 ?        ?        ?         ?        
1 1 1 3  38 10 o 649.6217 16.72341 4274.643   217.2778 4274.643   217.2778 ?          ?        649.6217 16.72341 ?        ?        ?         ?        
1 1 1 3  38 11 o 208.4802 6.394692 435.6902   26.66333 435.6902   26.66333 ?          ?        208.4802 6.394692 ?        ?        ?         ?        
1 1 1 3  38 12 o 353.3387 8.429169 1256.013   59.56702 1256.013   59.56702 ?          ?        353.3387 8.429169 ?        ?        ?         ?        
1 1 1 3  38 13 o 133.7265 6.787647 179.8357   18.15376 179.8357   18.15376 ?          ?        133.7265 6.787647 ?        ?        ?         ?        
1 1 1 3  38 14 o 339.7155 8.934188 1169.216   60.70163 1169.216   60.70163 ?          ?        339.7155 8.934188 ?        ?        ?         ?        
1 1 1 3  38 15 o 294.3680 8.094225 879.3227   47.65361 879.3227   47.65361 ?          ?        294.3680 8.094225 ?        ?        ?         ?        
1 1 1 3  38 16 o 130.9399 6.715467 173.5953   17.58645 173.5953   17.58645 ?          ?        130.9399 6.715467 ?        ?        ?         ?        
1 1 1 3  38 17 o 107.0343 8.480348 117.4321   18.15376 117.4321   18.15376 ?          ?        107.0343 8.480348 ?        ?        ?         ?        
1 1 1 3  39 0  o 258.3239 8.475006 669.9872   43.68248 669.9872   43.68248 669.9872   43.68248 258.3239 8.475006 258.3239 8.475006 -0.000000 0.000000 
1 1 1 3  39 1  o 703.6337 14.19001 4972.995   199.6914 4972.995   199.6914 ?          ?        703.6337 14.19001 ?        ?        ?         ?        
1 1 1 3  39 2  o 228.8717 5.701018 524.1898   26.09603 524.1898   26.09603 ?          ?        228.8717 5.701018 ?        ?        ?         ?        
1 1 1 3  39 3  o 767.1785 15.34399 5913.020   235.4316 5913.020   235.4316 ?          ?        767.1785 15.34399 ?        ?        ?         ?        
1 1 1 3  39 4  o 709.7004 17.78572 5071.707   252.4507 5071.707   252.4507 ?          ?        709.7004 17.78572 ?        ?        ?         ?        
1 1 1 3  39 5  o 755.0511 20.88743 5763.251   315.4216 5763.251   315.4216 ?          ?        755.0511 20.88743 ?        ?        ?         ?        
1 1 1 3  39 6  o 208.3291 6.535486 434.5556   27.23064 434.5556   27.23064 ?          ?        208.3291 6.535486 ?        ?        ?         ?        
1 1 1 3  39 7  o 362.4707 12.05132 1319.551   87.36497 1319.551   87.36497 ?          ?        362.4707 12.05132 ?        ?        ?         ?        
1 1 1 3  39 8  o 245.8307 6.576962 605.3144   32.33638 605.3144   32.33638 ?          ?        245.8307 6.576962 ?        ?        ?         ?        
1 1 1 3  39 9  o 159.7970 7.277830 255.8545   23.25950 255.8545   23.25950 ?          ?        159.7970 7.277830 ?        ?        ?         ?        
1 1 1 3  39 10 o 707.9097 18.19134 5085.322   257.5565 5085.322   257.5565 ?          ?        707.9097 18.19134 ?        ?        ?         ?        
1 1 1 3  39 11 o 188.6515 6.164676 356.8348   23.25950 356.8348   23.25950 ?          ?        188.6515 6.164676 ?        ?        ?         ?        
1 1 1 3  39 12 o 304.9340 8.278863 935.4859   50.49014 935.4859   50.49014 ?          ?        304.9340 8.278863 ?        ?        ?         ?        
1 1 1 3  39 13 o 189.3443 6.142118 360.2386   23.25950 360.2386   23.25950 ?          ?        189.3443 6.142118 ?        ?        ?         ?        
1 1 1 3  39 14 o 303.1012 7.861008 928.1110   47.65361 928.1110   47.65361 ?          ?        303.1012 7.861008 ?        ?        ?         ?        
1 1 1 3  39 15 o 234.5584 6.893034 556.5261   32.33638 556.5261   32.33638 ?          ?        234.5584 6.893034 ?        ?        ?         ?        
1 1 1 3  39 16 o 96.49315 8.818838 95.30723   17.01915 95.30723   17.01915 ?          ?        96.49315 8.818838 ?        ?        ?         ?        
1 1 1 3  40 0  o 100.7395 10.62835 104.9514   20.99029 104.9514   20.99029 104.9514   20.99029 100.7395 10.62835 100.7395 10.62835 -0.000000 0.000000 
1 1 1 3  40 1  o 356.5064 7.638191 1272.465   54.46128 1272.465   54.46128 ?          ?        356.5064 7.638191 ?        ?        ?         ?        
1 1 1 3  40 2  f 723.7236 14.50159 5259.484   209.9028 5259.484   209.9028 ?          ?        723.7236 14.50159 ?        ?        ?         ?        
1 1 1 3  40 3  o 479.8376 9.812969 2307.229   94.17262 2307.229   94.17262 ?          ?        479.8376 9.812969 ?        ?        ?         ?        
1 1 1 3  40 4  f 410.7251 10.70452 1691.703   87.93227 1691.703   87.93227 ?          ?        410.7251 10.70452 ?        ?        ?         ?        
1 1 1 3  40 5  o 521.4738 13.32663 2732.141   138.9897 2732.141   138.9897 ?          ?        521.4738 13.32663 ?        ?        ?         ?        
1 1 1 3  40 6  o 368.4982 10.77654 1362.667   79.42269 1362.667   79.42269 ?          ?        368.4982 10.77654 ?        ?        ?         ?        
1 1 1 3  40 7  o 232.3477 6.714458 540.6417   31.20177 540.6417   31.20177 ?          ?        232.3477 6.714458 ?        ?        ?         ?        
1 1 1 3  40 8  o 337.3434 9.753769 1141.985   65.80738 1141.985   65.80738 ?          ?        337.3434 9.753769 ?        ?        ?         ?        
1 1 1 3  40 9  o 234.3647 6.535640 550.2858   30.63447 550.2858   30.63447 ?          ?        234.3647 6.535640 ?        ?        ?         ?        
1 1 1 3  40 10 o 392.0630 10.63526 1546.474   83.39383 1546.474   83.39383 ?          ?        392.0630 10.63526 ?        ?        ?         ?        
1 1 1 3  40 11 o 388.0865 9.136251 1514.704   70.91312 1514.704   70.91312 ?          ?        388.0865 9.136251 ?        ?        ?         ?        
1 1 1 3  40 12 o 277.2549 7.673060 773.2368   42.54787 773.2368   42.54787 ?          ?        277.2549 7.673060 ?        ?        ?         ?        
1 1 1 3  40 13 o 92.12704 8.005211 85.66305   14.74993 85.66305   14.74993 ?          ?        92.12704 8.005211 ?        ?        ?         ?        
1 1 1 3  40 14 o 99.05370 8.304508 99.27837   16.45185 99.27837   16.45185 ?          ?        99.05370 8.304508 ?        ?        ?         ?        
1 1 1 3  40 15 f 41.18179 14.69077 15.88454   15.31723 15.88454   15.31723 ?          ?        41.18179 14.69077 ?        ?        ?         ?        
1 1 1 3  40 16 o 197.6789 6.457118 395.9789   25.52872 395.9789   25.52872 ?          ?        197.6789 6.457118 ?        ?        ?         ?        
1 1 1 3  41 0  o 218.5574 8.070606 479.9400   35.17290 479.9400   35.17290 479.9400   35.17290 218.5574 8.070606 218.5574 8.070606 -0.000000 0.000000 
1 1 1 3  41 1  o 511.0402 10.43493 2617.545   106.6533 2617.545   106.6533 ?          ?        511.0402 10.43493 ?        ?        ?         ?        
1 1 1 3  41 2  o 544.5410 12.76210 2976.082   138.9897 2976.082   138.9897 ?          ?        544.5410 12.76210 ?        ?        ?         ?        
1 1 1 3  41 3  f 357.0595 8.182447 1277.004   58.43241 1277.004   58.43241 ?          ?        357.0595 8.182447 ?        ?        ?         ?        
1 1 1 3  41 4  o 109.0799 7.021110 119.1340   15.31723 119.1340   15.31723 ?          ?        109.0799 7.021110 ?        ?        ?         ?        
1 1 1 3  41 5  o 376.1710 13.94996 1423.368   104.9514 1423.368   104.9514 ?          ?        376.1710 13.94996 ?        ?        ?         ?        
1 1 1 3  41 6  o 131.4465 6.905377 173.0280   18.15376 173.0280   18.15376 ?          ?        131.4465 6.905377 ?        ?        ?         ?        
1 1 1 3  41 7  o 697.6628 21.95507 4953.707   306.3447 4953.707   306.3447 ?          ?        697.6628 21.95507 ?        ?        ?         ?        
1 1 1 3  41 8  o 708.1245 19.78809 5084.754   280.2487 5084.754   280.2487 ?          ?        708.1245 19.78809 ?        ?        ?         ?        
1 1 1 3  41 9  o 132.2899 6.003686 175.2972   15.88454 175.2972   15.88454 ?          ?        132.2899 6.003686 ?        ?        ?         ?        
1 1 1 3  41 10 o 120.0827 7.558859 144.6628   18.15376 144.6628   18.15376 ?          ?        120.0827 7.558859 ?        ?        ?         ?        
1 1 1 3  41 11 o 72.75073 10.13731 53.32666   14.74993 53.32666   14.74993 ?          ?        72.75073 10.13731 ?        ?        ?         ?        
1 1 1 3  41 12 o 235.4085 7.109129 557.6608   33.47099 557.6608   33.47099 ?          ?        235.4085 7.109129 ?        ?        ?         ?        
1 1 1 3  41 13 o 307.8606 7.831616 956.4762   48.22092 956.4762   48.22092 ?          ?        307.8606 7.831616 ?        ?        ?         ?        
1 1 1 3  41 14 o 295.5127 7.678926 883.2938   45.38440 883.2938   45.38440 ?          ?        295.5127 7.678926 ?        ?        ?         ?        
1 1 1 3  41 15 o 126.3897 6.957231 161.6819   17.58645 161.6819   17.58645 ?          ?        126.3897 6.957231 ?        ?        ?         ?        
1 1 1 3  41 16 o 145.2265 6.640787 213.8740   19.28837 213.8740   19.28837 ?          ?        145.2265 6.640787 ?        ?        ?         ?        
1 1 1 3  42 0  f 172.6587 8.754888 300.6716   30.06716 300.6716   30.06716 300.6716   30.06716 172.6587 8.754888 172.6587 8.754888 -0.000000 0.000000 
1 1 1 3  42 1  o 312.3506 7.355789 976.8991   45.95170 976.8991   45.95170 ?          ?        312.3506 7.355789 ?        ?        ?         ?        
1 1 1 3  42 2  o 153.1774 6.296087 234.8643   19.28837 234.8643   19.28837 ?          ?        153.1774 6.296087 ?        ?        ?         ?        
1 1 1 3  42 3  o 341.2519 7.896509 1166.379   53.89397 1166.379   53.89397 ?          ?        341.2519 7.896509 ?        ?        ?         ?        
1 1 1 3  42 4  o 172.9834 5.903160 299.5370   20.42298 299.5370   20.42298 ?          ?        172.9834 5.903160 ?        ?        ?         ?        
1 1 1 3  42 5  o 1060.531 26.93348 11490.76   571.2761 11490.76   571.2761 ?          ?        1060.531 26.93348 ?        ?        ?         ?        
1 1 1 3  42 6  o 483.4940 15.54681 2356.017   150.3358 2356.017   150.3358 ?          ?        483.4940 15.54681 ?        ?        ?         ?        
1 1 1 3  42 7  o 449.0647 10.73808 2025.279   96.44185 2025.279   96.44185 ?          ?        449.0647 10.73808 ?        ?        ?         ?        
1 1 1 3  42 8  o 184.7336 7.830884 342.0849   28.93255 342.0849   28.93255 ?          ?        184.7336 7.830884 ?        ?        ?         ?        
1 1 1 3  42 9  o 780.4575 19.98941 6201.210   312.0177 6201.210   312.0177 ?          ?        780.4575 19.98941 ?        ?        ?         ?        
1 1 1 3  42 10 f 206.2521 6.463772 426.6133   26.66333 426.6133   26.66333 ?          ?        206.2521 6.463772 ?        ?        ?         ?        
1 1 1 3  42 11 o 257.7162 7.044089 667.1506   36.30752 667.1506   36.30752 ?          ?        257.7162 7.044089 ?        ?        ?         ?        
1 1 1 3  42 12 o 373.7034 8.804760 1409.753   65.80738 1409.753   65.80738 ?          ?        373.7034 8.804760 ?        ?        ?         ?        
1 1 1 3  42 13 o 177.3519 7.836947 317.6908   27.79794 317.6908   27.79794 ?          ?        177.3519 7.836947 ?        ?        ?         ?        
1 1 1 3  42 14 o 56.14609 13.31905 34.03830   14.74993 34.03830   14.74993 ?          ?        56.14609 13.31905 ?        ?        ?         ?        
1 1 1 3  42 15 o 144.1274 6.888238 210.4701   19.85567 210.4701   19.85567 ?          ?        144.1274 6.888238 ?        ?        ?         ?        
1 1 1 3  42 16 o 63.98057 13.29893 44.81709   16.45185 44.81709   16.45185 ?          ?        63.98057 13.29893 ?        ?        ?         ?        
1 1 1 3  43 0  o 18.10178 13.10677 -37.44213  22.69220 -37.44213  22.69220 -37.44213  22.69220 18.10178 13.10677 18.10178 13.10677 -0.000000 0.000000 
1 1 1 3  43 1  o 437.3464 10.50694 1918.058   91.90340 1918.058   91.90340 ?          ?        437.3464 10.50694 ?        ?        ?         ?        
1 1 1 3  43 2  o 772.0355 16.82731 6004.355   259.8257 6004.355   259.8257 ?          ?        772.0355 16.82731 ?        ?        ?         ?        
1 1 1 3  43 3  o 214.6497 5.946602 461.2190   25.52872 461.2190   25.52872 ?          ?        214.6497 5.946602 ?        ?        ?         ?        
1 1 1 3  43 4  o 158.7987 6.073214 252.4507   19.28837 252.4507   19.28837 ?          ?        158.7987 6.073214 ?        ?        ?         ?        
1 1 1 3  43 5  o 626.4508 17.47780 3960.923   218.9797 3960.923   218.9797 ?          ?        626.4508 17.47780 ?        ?        ?         ?        
1 1 1 3  43 6  o 209.1237 6.239375 437.9594   26.09603 437.9594   26.09603 ?          ?        209.1237 6.239375 ?        ?        ?         ?        
1 1 1 3  43 7  o 259.6126 6.774114 675.0929   35.17290 675.0929   35.17290 ?          ?        259.6126 6.774114 ?        ?        ?         ?        
1 1 1 3  43 8  o 291.7299 7.389571 853.2266   43.11518 853.2266   43.11518 ?          ?        291.7299 7.389571 ?        ?        ?         ?        
1 1 1 3  43 9  o 86.84458 12.08497 76.01886   20.99029 76.01886   20.99029 ?          ?        86.84458 12.08497 ?        ?        ?         ?        
1 1 1 3  43 10 f 132.6405 6.415518 176.4319   17.01915 176.4319   17.01915 ?          ?        132.6405 6.415518 ?        ?        ?         ?        
1 1 1 3  43 11 o 429.7558 10.69252 1865.866   91.90340 1865.866   91.90340 ?          ?        429.7558 10.69252 ?        ?        ?         ?        
1 1 1 3  43 12 o 167.9642 6.417317 283.6525   21.55759 283.6525   21.55759 ?          ?        167.9642 6.417317 ?        ?        ?         ?        
1 1 1 3  43 13 o 176.2267 6.277398 312.5851   22.12490 312.5851   22.12490 ?          ?        176.2267 6.277398 ?        ?        ?         ?        
1 1 1 3  43 14 o 132.8990 8.110516 179.2684   21.55759 179.2684   21.55759 ?          ?        132.8990 8.110516 ?        ?        ?         ?        
1 1 1 3  43 15 o 140.5285 7.064641 200.2587   19.85567 200.2587   19.85567 ?          ?        140.5285 7.064641 ?        ?        ?         ?        
1 1 1 3  43 16 o 56.90250 13.62022 35.74022   15.31723 35.74022   15.31723 ?          ?        56.90250 13.62022 ?        ?        ?         ?        
1 1 1 3  44 0  o 202.9349 8.983486 414.6999   36.30752 414.6999   36.30752 414.6999   36.30752 202.9349 8.983486 202.9349 8.983486 -0.000000 0.000000 
1 1 1 3  44 1  o 62.53421 13.53663 40.84595   16.45185 40.84595   16.45185 ?          ?        62.53421 13.53663 ?        ?        ?         ?        
1 1 1 3  44 2  o 341.6945 7.969295 1169.783   54.46128 1169.783   54.46128 ?          ?        341.6945 7.969295 ?        ?        ?         ?        
1 1 1 3  44 3  o 102.3392 8.315069 104.9514   17.01915 104.9514   17.01915 ?          ?        102.3392 8.315069 ?        ?        ?         ?        
1 1 1 3  44 4  o 223.5586 6.217150 500.3629   27.79794 500.3629   27.79794 ?          ?        223.5586 6.217150 ?        ?        ?         ?        
1 1 1 3  44 5  o 470.1218 12.24820 2221.566   115.1629 2221.566   115.1629 ?          ?        470.1218 12.24820 ?        ?        ?         ?        
1 1 1 3  44 6  o 291.8131 7.290259 853.2266   42.54787 853.2266   42.54787 ?          ?        291.8131 7.290259 ?        ?        ?         ?        
1 1 1 3  44 7  o 102.5874 8.294948 105.5187   17.01915 105.5187   17.01915 ?          ?        102.5874 8.294948 ?        ?        ?         ?        
1 1 1 3  44 8  o 90.18365 10.06488 81.69191   18.15376 81.69191   18.15376 ?          ?        90.18365 10.06488 ?        ?        ?         ?        
1 1 1 3  44 9  o 636.1624 18.05817 4124.307   229.7585 4124.307   229.7585 ?          ?        636.1624 18.05817 ?        ?        ?         ?        
1 1 1 3  44 10 o 146.2279 8.729090 215.0086   25.52872 215.0086   25.52872 ?          ?        146.2279 8.729090 ?        ?        ?         ?        
1 1 1 3  44 11 o 265.3757 7.161439 708.5638   38.00943 708.5638   38.00943 ?          ?        265.3757 7.161439 ?        ?        ?         ?        
1 1 1 3  44 12 o 169.4268 6.361917 288.7582   21.55759 288.7582   21.55759 ?          ?        169.4268 6.361917 ?        ?        ?         ?        
1 1 1 3  44 13 o 118.2918 7.433506 141.2589   17.58645 141.2589   17.58645 ?          ?        118.2918 7.433506 ?        ?        ?         ?        
1 1 1 3  44 14 o 202.0519 6.598139 412.9980   26.66333 412.9980   26.66333 ?          ?        202.0519 6.598139 ?        ?        ?         ?        
1 1 1 3  44 15 o 32.36685 14.29541 -3.403830  18.15376 -3.403830  18.15376 ?          ?        32.36685 14.29541 ?        ?        ?         ?        
1 1 1 3  45 0  o 261.9139 9.776678 689.8428   51.05745 689.8428   51.05745 689.8428   51.05745 261.9139 9.776678 261.9139 9.776678 -0.000000 0.000000 
1 1 1 3  45 1  o 698.4714 15.35075 4913.428   214.4413 4913.428   214.4413 ?          ?        698.4714 15.35075 ?        ?        ?         ?        
1 1 1 3  45 2  o 135.4730 7.118898 183.8068   19.28837 183.8068   19.28837 ?          ?        135.4730 7.118898 ?        ?        ?         ?        
1 1 1 3  45 3  o 368.9084 8.380975 1363.801   61.83624 1363.801   61.83624 ?          ?        368.9084 8.380975 ?        ?        ?         ?        
1 1 1 3  45 4  o 257.5565 6.607928 664.3141   34.03830 664.3141   34.03830 ?          ?        257.5565 6.607928 ?        ?        ?         ?        
1 1 1 3  45 5  o 157.2811 7.574594 247.9123   23.82681 247.9123   23.82681 ?          ?        157.2811 7.574594 ?        ?        ?         ?        
1 1 1 3  45 6  o 134.4155 6.752851 180.9703   18.15376 180.9703   18.15376 ?          ?        134.4155 6.752851 ?        ?        ?         ?        
1 1 1 3  45 7  f 589.9995 16.63455 3525.233   196.2875 3525.233   196.2875 ?          ?        589.9995 16.63455 ?        ?        ?         ?        
1 1 1 3  45 8  o 347.7276 8.320465 1213.465   57.86510 1213.465   57.86510 ?          ?        347.7276 8.320465 ?        ?        ?         ?        
1 1 1 3  45 9  o 357.6703 8.723614 1286.080   62.40355 1286.080   62.40355 ?          ?        357.6703 8.723614 ?        ?        ?         ?        
1 1 1 3  45 10 o 117.3561 7.492775 138.4224   17.58645 138.4224   17.58645 ?          ?        117.3561 7.492775 ?        ?        ?         ?        
1 1 1 3  45 11 o 176.1812 7.567018 312.5851   26.66333 312.5851   26.66333 ?          ?        176.1812 7.567018 ?        ?        ?         ?        
1 1 1 3  45 12 o 92.59988 8.883297 86.79766   16.45185 86.79766   16.45185 ?          ?        92.59988 8.883297 ?        ?        ?         ?        
1 1 1 3  45 13 o 361.0362 8.799417 1323.522   63.53815 1323.522   63.53815 ?          ?        361.0362 8.799417 ?        ?        ?         ?        
1 1 1 3  45 14 o 140.6988 6.854488 200.2587   19.28837 200.2587   19.28837 ?          ?        140.6988 6.854488 ?        ?        ?         ?        
1 1 1 3  45 15 o 240.6577 7.661262 589.9972   36.87482 589.9972   36.87482 ?          ?        240.6577 7.661262 ?        ?        ?         ?        
1 1 1 3  46 0  o 409.7029 13.32382 1688.300   108.9226 1688.300   108.9226 1688.300   108.9226 409.7029 13.32382 409.7029 13.32382 -0.000000 0.000000 
1 1 1 3  46 1  o 442.6391 9.996810 1965.144   88.49958 1965.144   88.49958 ?          ?        442.6391 9.996810 ?        ?        ?         ?        
1 1 1 3  46 2  o 205.7316 6.342251 423.7768   26.09603 423.7768   26.09603 ?          ?        205.7316 6.342251 ?        ?        ?         ?        
1 1 1 3  46 3  o 318.2642 7.664736 1014.909   48.78823 1014.909   48.78823 ?          ?        318.2642 7.664736 ?        ?        ?         ?        
1 1 1 3  46 4  o 248.7912 6.840735 620.0643   34.03830 620.0643   34.03830 ?          ?        248.7912 6.840735 ?        ?        ?         ?        
1 1 1 3  46 5  o 533.0688 13.72850 2860.919   146.3647 2860.919   146.3647 ?          ?        533.0688 13.72850 ?        ?        ?         ?        
1 1 1 3  46 6  o 165.5572 6.681950 274.5756   22.12490 274.5756   22.12490 ?          ?        165.5572 6.681950 ?        ?        ?         ?        
1 1 1 3  46 7  o 360.1656 8.584418 1301.398   61.83624 1301.398   61.83624 ?          ?        360.1656 8.584418 ?        ?        ?         ?        
1 1 1 3  46 8  o 264.6349 7.181486 702.3236   38.00943 702.3236   38.00943 ?          ?        264.6349 7.181486 ?        ?        ?         ?        
1 1 1 3  46 9  o 307.6594 7.560147 950.2358   46.51900 950.2358   46.51900 ?          ?        307.6594 7.560147 ?        ?        ?         ?        
1 1 1 3  46 10 o 74.55756 10.65253 56.16319   15.88454 56.16319   15.88454 ?          ?        74.55756 10.65253 ?        ?        ?         ?        
1 1 1 3  46 11 o 310.8807 7.846776 974.0626   48.78823 974.0626   48.78823 ?          ?        310.8807 7.846776 ?        ?        ?         ?        
1 1 1 3  46 12 o 125.2659 7.246091 158.2781   18.15376 158.2781   18.15376 ?          ?        125.2659 7.246091 ?        ?        ?         ?        
1 1 1 3  46 13 o 120.1044 8.029833 146.3647   19.28837 146.3647   19.28837 ?          ?        120.1044 8.029833 ?        ?        ?         ?        
1 1 1 3  46 14 o 142.0017 6.791600 204.2298   19.28837 204.2298   19.28837 ?          ?        142.0017 6.791600 ?        ?        ?         ?        
1 1 1 3  46 15 o 78.18780 10.88351 63.53815   17.01915 63.53815   17.01915 ?          ?        78.18780 10.88351 ?        ?        ?         ?        
1 1 1 3  47 0  o 394.3077 12.97950 1564.060   102.1149 1564.060   102.1149 1564.060   102.1149 394.3077 12.97950 394.3077 12.97950 -0.000000 0.000000 
1 1 1 3  47 1  o 751.1396 16.50241 5692.905   247.9123 5692.905   247.9123 ?          ?        751.1396 16.50241 ?        ?        ?         ?        
1 1 1 3  47 2  o 310.4955 7.765157 966.1203   48.22092 966.1203   48.22092 ?          ?        310.4955 7.765157 ?        ?        ?         ?        
1 1 1 3  47 3  o 334.3168 8.060315 1120.427   53.89397 1120.427   53.89397 ?          ?        334.3168 8.060315 ?        ?        ?         ?        
1 1 1 3  47 4  o 40.54546 15.32743 11.91340   17.01915 11.91340   17.01915 ?          ?        40.54546 15.32743 ?        ?        ?         ?        
1 1 1 3  47 5  o 348.8803 9.024708 1220.840   62.97085 1220.840   62.97085 ?          ?        348.8803 9.024708 ?        ?        ?         ?        
1 1 1 3  47 6  o 172.4123 6.416274 297.8351   22.12490 297.8351   22.12490 ?          ?        172.4123 6.416274 ?        ?        ?         ?        
1 1 1 3  47 7  o 224.1984 6.578962 503.7668   29.49986 503.7668   29.49986 ?          ?        224.1984 6.578962 ?        ?        ?         ?        
1 1 1 3  47 8  o 221.7118 6.524810 492.9881   28.93255 492.9881   28.93255 ?          ?        221.7118 6.524810 ?        ?        ?         ?        
1 1 1 3  47 9  o 154.0703 6.811916 238.2681   20.99029 238.2681   20.99029 ?          ?        154.0703 6.811916 ?        ?        ?         ?        
1 1 1 3  47 10 o 192.9834 6.614229 374.4213   25.52872 374.4213   25.52872 ?          ?        192.9834 6.614229 ?        ?        ?         ?        
1 1 1 3  47 11 o 266.4459 7.239132 715.3715   38.57674 715.3715   38.57674 ?          ?        266.4459 7.239132 ?        ?        ?         ?        
1 1 1 3  47 12 o 69.90375 11.36172 49.92284   15.88454 49.92284   15.88454 ?          ?        69.90375 11.36172 ?        ?        ?         ?        
1 1 1 3  47 13 f 363.1673 10.30988 1352.455   74.88425 1352.455   74.88425 ?          ?        363.1673 10.30988 ?        ?        ?         ?        
1 1 1 3  47 14 o 93.96524 8.754218 90.20149   16.45185 90.20149   16.45185 ?          ?        93.96524 8.754218 ?        ?        ?         ?        
1 1 1 3  47 15 o 300.1179 8.600745 924.1398   51.62476 924.1398   51.62476 ?          ?        300.1179 8.600745 ?        ?        ?         ?        
1 1 1 3  48 0  o 201.2681 9.487585 408.4596   38.00943 408.4596   38.00943 408.4596   38.00943 201.2681 9.487585 201.2681 9.487585 -0.000000 0.000000 
1 1 1 3  48 1  o 195.8116 6.663555 384.0654   26.09603 384.0654   26.09603 ?          ?        195.8116 6.663555 ?        ?        ?         ?        
1 1 1 3  48 2  o 124.5182 8.200802 155.4416   20.42298 155.4416   20.42298 ?          ?        124.5182 8.200802 ?        ?        ?         ?        
1 1 1 3  48 3  o 662.9708 15.48819 4433.488   205.3644 4433.488   205.3644 ?          ?        662.9708 15.48819 ?        ?        ?         ?        
1 1 1 3  48 4  o 255.0827 7.005614 651.8334   35.74022 651.8334   35.74022 ?          ?        255.0827 7.005614 ?        ?        ?         ?        
1 1 1 3  48 5  o 285.4667 7.452335 816.9191   42.54787 816.9191   42.54787 ?          ?        285.4667 7.452335 ?        ?        ?         ?        
1 1 1 3  48 6  o 367.5285 8.721156 1355.292   64.10546 1355.292   64.10546 ?          ?        367.5285 8.721156 ?        ?        ?         ?        
1 1 1 3  48 7  o 224.6618 6.817907 506.0360   30.63447 506.0360   30.63447 ?          ?        224.6618 6.817907 ?        ?        ?         ?        
1 1 1 3  48 8  o 135.3405 7.125865 183.8068   19.28837 183.8068   19.28837 ?          ?        135.3405 7.125865 ?        ?        ?         ?        
1 1 1 3  48 9  o 443.6785 10.22912 1986.702   90.76879 1986.702   90.76879 ?          ?        443.6785 10.22912 ?        ?        ?         ?        
1 1 1 3  48 10 o 216.1645 6.561032 469.7285   28.36525 469.7285   28.36525 ?          ?        216.1645 6.561032 ?        ?        ?         ?        
1 1 1 3  48 11 o 216.6716 6.545676 472.5651   28.36525 472.5651   28.36525 ?          ?        216.6716 6.545676 ?        ?        ?         ?        
1 1 1 3  48 12 o 61.43234 12.87942 40.27865   15.31723 40.27865   15.31723 ?          ?        61.43234 12.87942 ?        ?        ?         ?        
1 1 1 3  48 13 o 176.8492 8.661186 318.8254   30.63447 318.8254   30.63447 ?          ?        176.8492 8.661186 ?        ?        ?         ?        
1 1 1 3  48 14 o 26.52266 12.45751 -16.45185  17.01915 -16.45185  17.01915 ?          ?        26.52266 12.45751 ?        ?        ?         ?        
1 1 1 3  49 0  o 72.34991 20.81888 64.10546   26.09603 64.10546   26.09603 64.10546   26.09603 72.34991 20.81888 72.34991 20.81888 -0.000000 0.000000 
1 1 1 3  49 1  o 653.6476 14.40725 4304.710   188.3452 4304.710   188.3452 ?          ?        653.6476 14.40725 ?        ?        ?         ?        
1 1 1 3  49 2  o 221.3460 6.663743 490.7188   29.49986 490.7188   29.49986 ?          ?        221.3460 6.663743 ?        ?        ?         ?        
1 1 1 3  49 3  o 473.0357 10.73361 2247.095   101.5476 2247.095   101.5476 ?          ?        473.0357 10.73361 ?        ?        ?         ?        
1 1 1 3  49 4  o 152.1431 7.457516 232.0277   22.69220 232.0277   22.69220 ?          ?        152.1431 7.457516 ?        ?        ?         ?        
1 1 1 3  49 5  o 89.24429 9.852986 79.99000   17.58645 79.99000   17.58645 ?          ?        89.24429 9.852986 ?        ?        ?         ?        
1 1 1 3  49 6  o 244.8923 7.065475 601.3433   34.60560 601.3433   34.60560 ?          ?        244.8923 7.065475 ?        ?        ?         ?        
1 1 1 3  49 7  o 300.4073 7.553813 905.9860   45.38440 905.9860   45.38440 ?          ?        300.4073 7.553813 ?        ?        ?         ?        
1 1 1 3  49 8  o 231.8578 6.850983 539.5070   31.76908 539.5070   31.76908 ?          ?        231.8578 6.850983 ?        ?        ?         ?        
1 1 1 3  49 9  o 230.3538 6.772576 533.2667   31.20177 533.2667   31.20177 ?          ?        230.3538 6.772576 ?        ?        ?         ?        
1 1 1 3  49 10 o 172.2446 6.587204 298.4024   22.69220 298.4024   22.69220 ?          ?        172.2446 6.587204 ?        ?        ?         ?        
1 1 1 3  49 11 o 274.0476 7.452347 757.9195   40.84595 757.9195   40.84595 ?          ?        274.0476 7.452347 ?        ?        ?         ?        
1 1 1 3  49 12 o 62.49403 13.12601 41.98057   15.88454 41.98057   15.88454 ?          ?        62.49403 13.12601 ?        ?        ?         ?        
1 1 1 3  49 13 o 128.4775 7.285735 167.3549   18.72106 167.3549   18.72106 ?          ?        128.4775 7.285735 ?        ?        ?         ?        
1 1 1 3  49 14 o 159.4509 8.716773 260.3930   27.79794 260.3930   27.79794 ?          ?        159.4509 8.716773 ?        ?        ?         ?        
1 1 1 3  50 0  o 306.9773 10.93372 947.9666   66.94199 947.9666   66.94199 947.9666   66.94199 306.9773 10.93372 306.9773 10.93372 -0.000000 0.000000 
1 1 1 3  50 1  o 193.1842 6.901012 373.8540   26.66333 373.8540   26.66333 ?          ?        193.1842 6.901012 ?        ?        ?         ?        
1 1 1 3  50 2  o 249.9085 7.037158 625.7374   35.17290 625.7374   35.17290 ?          ?        249.9085 7.037158 ?        ?        ?         ?        
1 1 1 3  50 3  o 208.6637 6.660945 436.2575   27.79794 436.2575   27.79794 ?          ?        208.6637 6.660945 ?        ?        ?         ?        
1 1 1 3  50 4  o 406.7729 10.04146 1662.203   81.69191 1662.203   81.69191 ?          ?        406.7729 10.04146 ?        ?        ?         ?        
1 1 1 3  50 5  f 124.6807 8.417619 156.0089   20.99029 156.0089   20.99029 ?          ?        124.6807 8.417619 ?        ?        ?         ?        
1 1 1 3  50 6  o 383.0695 8.959719 1474.426   68.64390 1474.426   68.64390 ?          ?        383.0695 8.959719 ?        ?        ?         ?        
1 1 1 3  50 7  o 310.3383 7.951891 967.2549   49.35553 967.2549   49.35553 ?          ?        310.3383 7.951891 ?        ?        ?         ?        
1 1 1 3  50 8  o 187.0382 6.521159 351.1618   24.39412 351.1618   24.39412 ?          ?        187.0382 6.521159 ?        ?        ?         ?        
1 1 1 3  50 9  o 188.2371 6.630312 356.2675   24.96142 356.2675   24.96142 ?          ?        188.2371 6.630312 ?        ?        ?         ?        
1 1 1 3  50 10 o 138.9733 7.143702 194.5856   19.85567 194.5856   19.85567 ?          ?        138.9733 7.143702 ?        ?        ?         ?        
1 1 1 3  50 11 o 195.9371 6.804052 386.9020   26.66333 386.9020   26.66333 ?          ?        195.9371 6.804052 ?        ?        ?         ?        
1 1 1 3  50 12 o 89.71073 9.801756 82.25922   17.58645 82.25922   17.58645 ?          ?        89.71073 9.801756 ?        ?        ?         ?        
1 1 1 3  50 13 o 379.4330 9.344617 1474.426   70.91312 1474.426   70.91312 ?          ?        379.4330 9.344617 ?        ?        ?         ?        
1 1 1 3  50 14 o 74.57729 12.17110 58.43241   18.15376 58.43241   18.15376 ?          ?        74.57729 12.17110 ?        ?        ?         ?        
1 1 1 3  51 0  o 119.3200 13.86835 148.6339   32.33638 148.6339   32.33638 148.6339   32.33638 119.3200 13.86835 119.3200 13.86835 -0.000000 0.000000 
1 1 1 3  51 1  o 246.4533 7.020724 608.7182   34.60560 608.7182   34.60560 ?          ?        246.4533 7.020724 ?        ?        ?         ?        
1 1 1 3  51 2  o 99.97543 9.930277 100.4130   19.85567 100.4130   19.85567 ?          ?        99.97543 9.930277 ?        ?        ?         ?        
1 1 1 3  51 3  o 733.9625 16.15433 5449.531   237.1335 5449.531   237.1335 ?          ?        733.9625 16.15433 ?        ?        ?         ?        
1 1 1 3  51 4  o 146.6099 7.738970 215.5759   22.69220 215.5759   22.69220 ?          ?        146.6099 7.738970 ?        ?        ?         ?        
1 1 1 3  51 5  o 713.9597 20.18258 5212.965   288.1909 5212.965   288.1909 ?          ?        713.9597 20.18258 ?        ?        ?         ?        
1 1 1 3  51 6  o 157.3323 7.391840 248.4796   23.25950 248.4796   23.25950 ?          ?        157.3323 7.391840 ?        ?        ?         ?        
1 1 1 3  51 7  o 184.0037 6.782859 339.8157   24.96142 339.8157   24.96142 ?          ?        184.0037 6.782859 ?        ?        ?         ?        
1 1 1 3  51 8  o 129.6497 7.438647 169.0569   19.28837 169.0569   19.28837 ?          ?        129.6497 7.438647 ?        ?        ?         ?        
1 1 1 3  51 9  o 412.9971 9.684088 1725.742   79.99000 1725.742   79.99000 ?          ?        412.9971 9.684088 ?        ?        ?         ?        
1 1 1 3  51 10 o 148.4639 7.451270 222.3835   22.12490 222.3835   22.12490 ?          ?        148.4639 7.451270 ?        ?        ?         ?        
1 1 1 3  51 11 o 41.80082 14.95547 15.88454   15.88454 15.88454   15.88454 ?          ?        41.80082 14.95547 ?        ?        ?         ?        
1 1 1 3  51 12 o 44.26967 15.74650 18.72106   17.58645 18.72106   17.58645 ?          ?        44.26967 15.74650 ?        ?        ?         ?        
1 1 1 3  51 13 o 22.79742 11.02103 -23.25950  15.31723 -23.25950  15.31723 ?          ?        22.79742 11.02103 ?        ?        ?         ?        
1 1 1 3  51 14 o 99.24846 9.431413 101.5476   18.72106 101.5476   18.72106 ?          ?        99.24846 9.431413 ?        ?        ?         ?        
1 1 1 3  52 0  o 172.1165 10.29421 300.1043   35.17290 300.1043   35.17290 300.1043   35.17290 172.1165 10.29421 172.1165 10.29421 -0.000000 0.000000 
1 1 1 3  52 1  o 116.6956 9.479748 136.7205   22.12490 136.7205   22.12490 ?          ?        116.6956 9.479748 ?        ?        ?         ?        
1 1 1 3  52 2  o 37.72192 15.32895 5.673049   18.15376 5.673049   18.15376 ?          ?        37.72192 15.32895 ?        ?        ?         ?        
1 1 1 3  52 3  o 133.4321 8.503278 178.7011   22.69220 178.7011   22.69220 ?          ?        133.4321 8.503278 ?        ?        ?         ?        
1 1 1 3  52 4  o 150.2142 7.553281 226.3547   22.69220 226.3547   22.69220 ?          ?        150.2142 7.553281 ?        ?        ?         ?        
1 1 1 3  52 5  o 524.0099 13.69518 2781.496   143.5282 2781.496   143.5282 ?          ?        524.0099 13.69518 ?        ?        ?         ?        
1 1 1 3  52 6  o 234.4362 6.896628 551.4204   32.33638 551.4204   32.33638 ?          ?        234.4362 6.896628 ?        ?        ?         ?        
1 1 1 3  52 7  o 381.8245 9.657533 1469.887   73.74965 1469.887   73.74965 ?          ?        381.8245 9.657533 ?        ?        ?         ?        
1 1 1 3  52 8  o 135.3052 7.547005 184.3741   20.42298 184.3741   20.42298 ?          ?        135.3052 7.547005 ?        ?        ?         ?        
1 1 1 3  52 9  o 34.47401 14.63620 1.134610   17.58645 1.134610   17.58645 ?          ?        34.47401 14.63620 ?        ?        ?         ?        
1 1 1 3  52 10 o 73.75411 11.53776 55.59589   17.01915 55.59589   17.01915 ?          ?        73.75411 11.53776 ?        ?        ?         ?        
1 1 1 3  52 11 o 174.7178 6.331609 308.0466   22.12490 308.0466   22.12490 ?          ?        174.7178 6.331609 ?        ?        ?         ?        
1 1 1 3  52 12 o 37.15493 14.94526 7.942269   17.01915 7.942269   17.01915 ?          ?        37.15493 14.94526 ?        ?        ?         ?        
1 1 1 3  52 13 o 161.3861 6.854649 264.3641   22.12490 264.3641   22.12490 ?          ?        161.3861 6.854649 ?        ?        ?         ?        
1 1 1 3  53 0  o 21.98497 15.71712 -35.17290  28.36525 -35.17290  28.36525 -35.17290  28.36525 21.98497 15.71712 21.98497 15.71712 -0.000000 0.000000 
1 1 1 3  53 1  o 370.2998 8.885688 1376.849   65.80738 1376.849   65.80738 ?          ?        370.2998 8.885688 ?        ?        ?         ?        
1 1 1 3  53 2  o 114.9415 9.377632 132.7494   21.55759 132.7494   21.55759 ?          ?        114.9415 9.377632 ?        ?        ?         ?        
1 1 1 3  53 3  o 145.9835 7.966486 213.8740   23.25950 213.8740   23.25950 ?          ?        145.9835 7.966486 ?        ?        ?         ?        
1 1 1 3  53 4  f 77.76147 15.50504 63.53815   23.25950 63.53815   23.25950 ?          ?        77.76147 15.50504 ?        ?        ?         ?        
1 1 1 3  53 5  o 500.2761 11.28314 2524.507   112.8937 2524.507   112.8937 ?          ?        500.2761 11.28314 ?        ?        ?         ?        
1 1 1 3  53 6  o 90.20831 11.00546 82.25922   19.85567 82.25922   19.85567 ?          ?        90.20831 11.00546 ?        ?        ?         ?        
1 1 1 3  53 7  o 266.0144 7.357506 711.9677   39.14404 711.9677   39.14404 ?          ?        266.0144 7.357506 ?        ?        ?         ?        
1 1 1 3  53 8  o 89.73789 10.74706 81.69191   19.28837 81.69191   19.28837 ?          ?        89.73789 10.74706 ?        ?        ?         ?        
1 1 1 3  53 9  o 248.1868 6.971684 620.6317   34.60560 620.6317   34.60560 ?          ?        248.1868 6.971684 ?        ?        ?         ?        
1 1 1 3  53 10 o 127.1826 7.582942 163.3838   19.28837 163.3838   19.28837 ?          ?        127.1826 7.582942 ?        ?        ?         ?        
1 1 1 3  53 11 o 243.0201 6.886467 597.3721   33.47099 597.3721   33.47099 ?          ?        243.0201 6.886467 ?        ?        ?         ?        
1 1 1 3  53 12 f 173.6298 6.698016 305.2101   23.25950 305.2101   23.25950 ?          ?        173.6298 6.698016 ?        ?        ?         ?        
1 1 1 3  53 13 o 402.9766 11.54385 1695.674   93.03801 1695.674   93.03801 ?          ?        402.9766 11.54385 ?        ?        ?         ?        
1 1 1 3  54 0  o 301.9121 11.21402 918.4667   67.50929 918.4667   67.50929 918.4667   67.50929 301.9121 11.21402 301.9121 11.21402 -0.000000 0.000000 
1 1 1 3  54 1  o 282.2792 7.436000 799.3326   41.98057 799.3326   41.98057 ?          ?        282.2792 7.436000 ?        ?        ?         ?        
1 1 1 3  54 2  o 357.1499 8.656902 1281.542   61.83624 1281.542   61.83624 ?          ?        357.1499 8.656902 ?        ?        ?         ?        
1 1 1 3  54 3  o 217.1392 7.054107 473.1324   30.63447 473.1324   30.63447 ?          ?        217.1392 7.054107 ?        ?        ?         ?        
1 1 1 3  54 4  f 48.49227 18.49455 17.01915   24.96142 17.01915   24.96142 ?          ?        48.49227 18.49455 ?        ?        ?         ?        
1 1 1 3  54 5  o 383.0166 9.109073 1477.262   69.77851 1477.262   69.77851 ?          ?        383.0166 9.109073 ?        ?        ?         ?        
1 1 1 3  54 6  o 61.59928 15.25602 40.27865   18.72106 40.27865   18.72106 ?          ?        61.59928 15.25602 ?        ?        ?         ?        
1 1 1 3  54 7  o 452.3860 10.34574 2073.500   93.60532 2073.500   93.60532 ?          ?        452.3860 10.34574 ?        ?        ?         ?        
1 1 1 3  54 8  o 76.71606 12.20153 60.13433   18.72106 60.13433   18.72106 ?          ?        76.71606 12.20153 ?        ?        ?         ?        
1 1 1 3  54 9  o 142.3980 7.768683 204.7971   22.12490 204.7971   22.12490 ?          ?        142.3980 7.768683 ?        ?        ?         ?        
1 1 1 3  54 10 o 78.22755 11.60317 62.97085   18.15376 62.97085   18.15376 ?          ?        78.22755 11.60317 ?        ?        ?         ?        
1 1 1 3  54 11 o 284.3595 7.581105 820.3230   43.11518 820.3230   43.11518 ?          ?        284.3595 7.581105 ?        ?        ?         ?        
1 1 1 3  54 12 o 91.09413 10.27567 85.66305   18.72106 85.66305   18.72106 ?          ?        91.09413 10.27567 ?        ?        ?         ?        
1 1 1 3  54 13 o 64.49092 14.02633 45.95170   17.58645 45.95170   17.58645 ?          ?        64.49092 14.02633 ?        ?        ?         ?        
1 1 1 3  55 0  o 148.5582 11.00371 225.2201   32.33638 225.2201   32.33638 225.2201   32.33638 148.5582 11.00371 148.5582 11.00371 -0.000000 0.000000 
1 1 1 3  55 1  o 299.2159 7.868285 899.1783   47.08631 899.1783   47.08631 ?          ?        299.2159 7.868285 ?        ?        ?         ?        
1 1 1 3  55 2  o 176.6285 7.387263 313.1523   26.09603 313.1523   26.09603 ?          ?        176.6285 7.387263 ?        ?        ?         ?        
1 1 1 3  55 3  o 412.7237 9.690503 1714.396   79.99000 1714.396   79.99000 ?          ?        412.7237 9.690503 ?        ?        ?         ?        
1 1 1 3  55 4  o 217.4733 6.912841 474.8342   30.06716 474.8342   30.06716 ?          ?        217.4733 6.912841 ?        ?        ?         ?        
1 1 1 3  55 5  o 259.2482 7.111876 675.0929   36.87482 675.0929   36.87482 ?          ?        259.2482 7.111876 ?        ?        ?         ?        
1 1 1 3  55 6  o 205.0845 7.053813 423.2095   28.93255 423.2095   28.93255 ?          ?        205.0845 7.053813 ?        ?        ?         ?        
1 1 1 3  55 7  o 232.3614 7.080285 543.4781   32.90369 543.4781   32.90369 ?          ?        232.3614 7.080285 ?        ?        ?         ?        
1 1 1 3  55 8  o 36.76959 15.03870 5.673049   17.58645 5.673049   17.58645 ?          ?        36.76959 15.03870 ?        ?        ?         ?        
1 1 1 3  55 9  o 99.87874 10.22389 101.5476   20.42298 101.5476   20.42298 ?          ?        99.87874 10.22389 ?        ?        ?         ?        
1 1 1 3  55 10 o 61.09214 15.70267 40.84595   19.28837 40.84595   19.28837 ?          ?        61.09214 15.70267 ?        ?        ?         ?        
1 1 1 3  55 11 o 102.0326 9.452066 106.6533   19.28837 106.6533   19.28837 ?          ?        102.0326 9.452066 ?        ?        ?         ?        
1 1 1 3  55 12 o 39.60012 15.42177 11.91340   17.58645 11.91340   17.58645 ?          ?        39.60012 15.42177 ?        ?        ?         ?        
1 1 1 3  56 0  o 134.1478 12.46495 185.5087   32.90369 185.5087   32.90369 185.5087   32.90369 134.1478 12.46495 134.1478 12.46495 -0.000000 0.000000 
1 1 1 3  56 1  f 255.5007 7.327208 655.2372   37.44213 655.2372   37.44213 ?          ?        255.5007 7.327208 ?        ?        ?         ?        
1 1 1 3  56 2  o 114.1171 9.196815 131.0475   20.99029 131.0475   20.99029 ?          ?        114.1171 9.196815 ?        ?        ?         ?        
1 1 1 3  56 3  o 192.6680 6.772281 372.7193   26.09603 372.7193   26.09603 ?          ?        192.6680 6.772281 ?        ?        ?         ?        
1 1 1 3  56 4  o 239.9200 6.975450 578.0837   33.47099 578.0837   33.47099 ?          ?        239.9200 6.975450 ?        ?        ?         ?        
1 1 1 3  56 5  o 296.3618 7.561213 884.4283   44.81709 884.4283   44.81709 ?          ?        296.3618 7.561213 ?        ?        ?         ?        
1 1 1 3  56 6  o 173.2874 7.529698 302.3735   26.09603 302.3735   26.09603 ?          ?        173.2874 7.529698 ?        ?        ?         ?        
1 1 1 3  56 7  o 303.6153 7.941122 930.3802   48.22092 930.3802   48.22092 ?          ?        303.6153 7.941122 ?        ?        ?         ?        
1 1 1 3  56 8  o 169.9379 6.843530 291.0274   23.25950 291.0274   23.25950 ?          ?        169.9379 6.843530 ?        ?        ?         ?        
1 1 1 3  56 9  o 335.4586 8.286551 1141.418   55.59589 1141.418   55.59589 ?          ?        335.4586 8.286551 ?        ?        ?         ?        
1 1 1 3  56 10 o 112.5713 8.819153 129.3455   19.85567 129.3455   19.85567 ?          ?        112.5713 8.819153 ?        ?        ?         ?        
1 1 1 3  56 11 o 183.3045 6.808732 340.3830   24.96142 340.3830   24.96142 ?          ?        183.3045 6.808732 ?        ?        ?         ?        
1 1 1 3  56 12 o 38.26743 15.41773 9.076880   18.15376 9.076880   18.15376 ?          ?        38.26743 15.41773 ?        ?        ?         ?        
1 1 1 3  57 0  o 205.1261 10.99081 426.6133   44.81709 426.6133   44.81709 426.6133   44.81709 205.1261 10.99081 205.1261 10.99081 -0.000000 0.000000 
1 1 1 3  57 1  o 178.7046 7.777625 321.0946   27.79794 321.0946   27.79794 ?          ?        178.7046 7.777625 ?        ?        ?         ?        
1 1 1 3  57 2  o 301.2331 7.721430 912.2264   46.51900 912.2264   46.51900 ?          ?        301.2331 7.721430 ?        ?        ?         ?        
1 1 1 3  57 3  o 112.3238 8.838589 127.0763   19.85567 127.0763   19.85567 ?          ?        112.3238 8.838589 ?        ?        ?         ?        
1 1 1 3  57 4  o 177.7038 7.023322 317.6908   24.96142 317.6908   24.96142 ?          ?        177.7038 7.023322 ?        ?        ?         ?        
1 1 1 3  57 5  o 61.80716 16.61811 40.84595   20.99029 40.84595   20.99029 ?          ?        61.80716 16.61811 ?        ?        ?         ?        
1 1 1 3  57 6  o 218.2677 7.147595 479.9400   31.20177 479.9400   31.20177 ?          ?        218.2677 7.147595 ?        ?        ?         ?        
1 1 1 3  57 7  o 96.75101 10.55440 95.30723   20.42298 95.30723   20.42298 ?          ?        96.75101 10.55440 ?        ?        ?         ?        
1 1 1 3  57 8  o 41.72024 15.81288 13.61532   18.15376 13.61532   18.15376 ?          ?        41.72024 15.81288 ?        ?        ?         ?        
1 1 1 3  57 9  f 373.4939 9.037535 1420.532   67.50929 1420.532   67.50929 ?          ?        373.4939 9.037535 ?        ?        ?         ?        
1 1 1 3  57 10 o 77.73525 12.77135 62.97085   19.85567 62.97085   19.85567 ?          ?        77.73525 12.77135 ?        ?        ?         ?        
1 1 1 3  57 11 o 220.9908 6.931163 495.8246   30.63447 495.8246   30.63447 ?          ?        220.9908 6.931163 ?        ?        ?         ?        
1 1 1 3  57 12 o 113.7231 8.729832 132.7494   19.85567 132.7494   19.85567 ?          ?        113.7231 8.729832 ?        ?        ?         ?        
1 1 1 3  58 0  o 82.09899 21.22818 80.55730   30.06716 80.55730   30.06716 80.55730   30.06716 82.09899 21.22818 82.09899 21.22818 -0.000000 0.000000 
1 1 1 3  58 1  o 192.9740 7.496491 374.4213   28.93255 374.4213   28.93255 ?          ?        192.9740 7.496491 ?        ?        ?         ?        
1 1 1 3  58 2  o 75.58348 15.54427 60.70163   22.69220 60.70163   22.69220 ?          ?        75.58348 15.54427 ?        ?        ?         ?        
1 1 1 3  58 3  o 146.6356 7.931057 216.7105   23.25950 216.7105   23.25950 ?          ?        146.6356 7.931057 ?        ?        ?         ?        
1 1 1 3  58 4  o 156.2032 7.445272 245.6430   23.25950 245.6430   23.25950 ?          ?        156.2032 7.445272 ?        ?        ?         ?        
1 1 1 3  58 5  o 163.5407 7.284673 269.4698   23.82681 269.4698   23.82681 ?          ?        163.5407 7.284673 ?        ?        ?         ?        
1 1 1 3  58 6  o 193.8969 7.168227 378.9597   27.79794 378.9597   27.79794 ?          ?        193.8969 7.168227 ?        ?        ?         ?        
1 1 1 3  58 7  o 38.10715 15.39101 7.374964   18.15376 7.374964   18.15376 ?          ?        38.10715 15.39101 ?        ?        ?         ?        
1 1 1 3  58 8  o 219.8150 7.097281 488.4496   31.20177 488.4496   31.20177 ?          ?        219.8150 7.097281 ?        ?        ?         ?        
1 1 1 3  58 9  o 129.4820 8.324548 170.7588   21.55759 170.7588   21.55759 ?          ?        129.4820 8.324548 ?        ?        ?         ?        
1 1 1 3  58 10 o 215.8902 7.094918 472.5651   30.63447 472.5651   30.63447 ?          ?        215.8902 7.094918 ?        ?        ?         ?        
1 1 1 3  58 11 o 144.5604 8.044909 213.3067   23.25950 213.3067   23.25950 ?          ?        144.5604 8.044909 ?        ?        ?         ?        
1 1 1 3  59 0  o 78.37418 23.69589 77.72078   32.33638 77.72078   32.33638 77.72078   32.33638 78.37418 23.69589 78.37418 23.69589 -0.000000 0.000000 
1 1 1 3  59 1  o 211.5450 7.240650 450.4402   30.63447 450.4402   30.63447 ?          ?        211.5450 7.240650 ?        ?        ?         ?        
1 1 1 3  59 2  o 163.1979 7.821400 268.3353   25.52872 268.3353   25.52872 ?          ?        163.1979 7.821400 ?        ?        ?         ?        
1 1 1 3  59 3  o 137.4261 8.668951 190.6145   23.82681 190.6145   23.82681 ?          ?        137.4261 8.668951 ?        ?        ?         ?        
1 1 1 3  59 4  o 102.6991 10.77170 107.2206   22.12490 107.2206   22.12490 ?          ?        102.6991 10.77170 ?        ?        ?         ?        
1 1 1 3  59 5  o 331.3487 8.389332 1109.649   55.59589 1109.649   55.59589 ?          ?        331.3487 8.389332 ?        ?        ?         ?        
1 1 1 3  59 6  o 114.9178 9.132739 133.8840   20.99029 133.8840   20.99029 ?          ?        114.9178 9.132739 ?        ?        ?         ?        
1 1 1 3  59 7  o 249.2988 7.168147 627.4393   35.74022 627.4393   35.74022 ?          ?        249.2988 7.168147 ?        ?        ?         ?        
1 1 1 3  59 8  o 64.99265 16.53906 46.51900   21.55759 46.51900   21.55759 ?          ?        64.99265 16.53906 ?        ?        ?         ?        
1 1 1 3  59 9  o 370.6377 9.107180 1402.945   67.50929 1402.945   67.50929 ?          ?        370.6377 9.107180 ?        ?        ?         ?        
1 1 1 3  59 10 o 136.8076 8.293475 191.1818   22.69220 191.1818   22.69220 ?          ?        136.8076 8.293475 ?        ?        ?         ?        
1 1 1 3  59 11 o 159.9877 7.446450 260.9603   23.82681 260.9603   23.82681 ?          ?        159.9877 7.446450 ?        ?        ?         ?        
1 1 1 3  60 0  o 307.1313 11.39390 954.7743   69.77851 954.7743   69.77851 954.7743   69.77851 307.1313 11.39390 307.1313 11.39390 -0.000000 0.000000 
1 1 1 3  60 1  o 113.9730 10.20396 131.6148   23.25950 131.6148   23.25950 ?          ?        113.9730 10.20396 ?        ?        ?         ?        
1 1 1 3  60 2  o 410.4184 9.675821 1705.886   79.42269 1705.886   79.42269 ?          ?        410.4184 9.675821 ?        ?        ?         ?        
1 1 1 3  60 3  o 198.4769 7.431559 397.1135   29.49986 397.1135   29.49986 ?          ?        198.4769 7.431559 ?        ?        ?         ?        
1 1 1 3  60 4  o 122.1166 8.826638 150.9031   21.55759 150.9031   21.55759 ?          ?        122.1166 8.826638 ?        ?        ?         ?        
1 1 1 3  60 5  o 288.3477 7.968108 840.1787   45.95170 840.1787   45.95170 ?          ?        288.3477 7.968108 ?        ?        ?         ?        
1 1 1 3  60 6  o 91.70166 12.06352 86.23035   22.12490 86.23035   22.12490 ?          ?        91.70166 12.06352 ?        ?        ?         ?        
1 1 1 3  60 7  o 96.85027 11.12934 96.44185   21.55759 96.44185   21.55759 ?          ?        96.85027 11.12934 ?        ?        ?         ?        
1 1 1 3  60 8  o 192.1394 7.381423 374.4213   28.36525 374.4213   28.36525 ?          ?        192.1394 7.381423 ?        ?        ?         ?        
1 1 1 3  60 9  o 153.9468 7.922904 241.1046   24.39412 241.1046   24.39412 ?          ?        153.9468 7.922904 ?        ?        ?         ?        
1 1 1 3  60 10 o 111.7516 9.899139 128.7782   22.12490 128.7782   22.12490 ?          ?        111.7516 9.899139 ?        ?        ?         ?        
1 1 1 3  61 0  o 52.30408 26.62749 42.54787   34.60560 42.54787   34.60560 42.54787   34.60560 52.30408 26.62749 52.30408 26.62749 -0.000000 0.000000 
1 1 1 3  61 1  o 140.2604 9.100476 199.1240   25.52872 199.1240   25.52872 ?          ?        140.2604 9.100476 ?        ?        ?         ?        
1 1 1 3  61 2  o 262.3495 7.352167 693.8140   38.57674 693.8140   38.57674 ?          ?        262.3495 7.352167 ?        ?        ?         ?        
1 1 1 3  61 3  o 201.2102 7.471581 408.4596   30.06716 408.4596   30.06716 ?          ?        201.2102 7.471581 ?        ?        ?         ?        
1 1 1 3  61 4  o 41.31633 17.98588 -2.269220  27.79794 -2.269220  27.79794 ?          ?        41.31633 17.98588 ?        ?        ?         ?        
1 1 1 3  61 5  o 359.0828 8.926279 1307.071   64.10546 1307.071   64.10546 ?          ?        359.0828 8.926279 ?        ?        ?         ?        
1 1 1 3  61 6  o 248.2807 7.197543 623.4681   35.74022 623.4681   35.74022 ?          ?        248.2807 7.197543 ?        ?        ?         ?        
1 1 1 3  61 7  o 167.5795 7.447634 284.7871   24.96142 284.7871   24.96142 ?          ?        167.5795 7.447634 ?        ?        ?         ?        
1 1 1 3  61 8  o 100.6488 11.55479 104.9514   23.25950 104.9514   23.25950 ?          ?        100.6488 11.55479 ?        ?        ?         ?        
1 1 1 3  61 9  o 154.6526 8.436982 244.5084   26.09603 244.5084   26.09603 ?          ?        154.6526 8.436982 ?        ?        ?         ?        
1 1 1 3  61 10 o 140.1788 8.903420 201.9606   24.96142 201.9606   24.96142 ?          ?        140.1788 8.903420 ?        ?        ?         ?        
1 1 1 3  62 0  o 25.95088 18.05139 -23.25950  31.76908 -23.25950  31.76908 -23.25950  31.76908 25.95088 18.05139 25.95088 18.05139 -0.000000 0.000000 
1 1 1 3  62 1  o 96.40773 10.88620 94.73994   20.99029 94.73994   20.99029 ?          ?        96.40773 10.88620 ?        ?        ?         ?        
1 1 1 3  62 2  f 97.11553 11.68309 96.44185   22.69220 96.44185   22.69220 ?          ?        97.11553 11.68309 ?        ?        ?         ?        
1 1 1 3  62 3  o 191.3061 7.413576 369.3155   28.36525 369.3155   28.36525 ?          ?        191.3061 7.413576 ?        ?        ?         ?        
1 1 1 3  62 4  o 270.2666 7.451651 737.4965   40.27865 737.4965   40.27865 ?          ?        270.2666 7.451651 ?        ?        ?         ?        
1 1 1 3  62 5  o 340.3705 9.167005 1179.427   62.40355 1179.427   62.40355 ?          ?        340.3705 9.167005 ?        ?        ?         ?        
1 1 1 3  62 6  o 76.52205 16.07869 64.10546   23.82681 64.10546   23.82681 ?          ?        76.52205 16.07869 ?        ?        ?         ?        
1 1 1 3  62 7  o 241.2722 7.406617 589.9972   35.74022 589.9972   35.74022 ?          ?        241.2722 7.406617 ?        ?        ?         ?        
1 1 1 3  62 8  o 194.6989 7.575762 385.2001   29.49986 385.2001   29.49986 ?          ?        194.6989 7.575762 ?        ?        ?         ?        
1 1 1 3  62 9  o 147.2171 8.092407 221.2489   23.82681 221.2489   23.82681 ?          ?        147.2171 8.092407 ?        ?        ?         ?        
1 1 1 3  63 0  f 219.9949 10.62564 491.8534   46.51900 491.8534   46.51900 491.8534   46.51900 219.9949 10.62564 219.9949 10.62564 -0.000000 0.000000 
1 1 1 3  63 1  o 157.5917 8.459627 251.3161   26.66333 251.3161   26.66333 ?          ?        157.5917 8.459627 ?        ?        ?         ?        
1 1 1 3  63 2  o 272.6555 7.802496 751.1118   42.54787 751.1118   42.54787 ?          ?        272.6555 7.802496 ?        ?        ?         ?        
1 1 1 3  63 3  o 157.0357 9.573352 250.7488   30.06716 250.7488   30.06716 ?          ?        157.0357 9.573352 ?        ?        ?         ?        
1 1 1 3  63 4  o 212.2207 7.217597 455.5459   30.63447 455.5459   30.63447 ?          ?        212.2207 7.217597 ?        ?        ?         ?        
1 1 1 3  63 5  o 194.5112 7.728901 383.4982   30.06716 383.4982   30.06716 ?          ?        194.5112 7.728901 ?        ?        ?         ?        
1 1 1 3  63 6  o 118.1300 9.844872 142.9609   23.25950 142.9609   23.25950 ?          ?        118.1300 9.844872 ?        ?        ?         ?        
1 1 1 3  63 7  o 65.37996 16.48038 47.65361   21.55759 47.65361   21.55759 ?          ?        65.37996 16.48038 ?        ?        ?         ?        
1 1 1 3  63 8  o 100.4206 11.29858 104.9514   22.69220 104.9514   22.69220 ?          ?        100.4206 11.29858 ?        ?        ?         ?        
1 1 1 3  63 9  o 186.4099 7.608300 354.5656   28.36525 354.5656   28.36525 ?          ?        186.4099 7.608300 ?        ?        ?         ?        
1 1 1 3  64 0  o 290.9770 11.73936 861.7362   68.07660 861.7362   68.07660 861.7362   68.07660 290.9770 11.73936 290.9770 11.73936 -0.000000 0.000000 
1 1 1 3  64 1  o 118.8339 10.26396 144.0954   24.39412 144.0954   24.39412 ?          ?        118.8339 10.26396 ?        ?        ?         ?        
1 1 1 3  64 2  f 140.0910 9.111477 199.6914   25.52872 199.6914   25.52872 ?          ?        140.0910 9.111477 ?        ?        ?         ?        
1 1 1 3  64 3  o 219.0752 7.898109 486.7477   34.60560 486.7477   34.60560 ?          ?        219.0752 7.898109 ?        ?        ?         ?        
1 1 1 3  64 4  o 163.8335 7.271654 271.7391   23.82681 271.7391   23.82681 ?          ?        163.8335 7.271654 ?        ?        ?         ?        
1 1 1 3  64 5  o 49.67159 18.61236 22.12490   24.96142 22.12490   24.96142 ?          ?        49.67159 18.61236 ?        ?        ?         ?        
1 1 1 3  64 6  o 275.6389 7.820953 772.6694   43.11518 772.6694   43.11518 ?          ?        275.6389 7.820953 ?        ?        ?         ?        
1 1 1 3  64 7  o 82.29484 13.44246 71.48043   22.12490 71.48043   22.12490 ?          ?        82.29484 13.44246 ?        ?        ?         ?        
1 1 1 3  64 8  o 138.6694 7.977566 196.2875   22.12490 196.2875   22.12490 ?          ?        138.6694 7.977566 ?        ?        ?         ?        
1 1 1 3  65 0  f 263.8248 11.00802 709.1312   57.86510 709.1312   57.86510 709.1312   57.86510 263.8248 11.00802 263.8248 11.00802 -0.000000 0.000000 
1 1 1 3  65 1  o 127.0509 10.04665 165.0858   25.52872 165.0858   25.52872 ?          ?        127.0509 10.04665 ?        ?        ?         ?        
1 1 1 3  65 2  o 125.3692 9.728913 160.5473   24.39412 160.5473   24.39412 ?          ?        125.3692 9.728913 ?        ?        ?         ?        
1 1 1 3  65 3  o 78.13618 15.79951 66.94199   23.82681 66.94199   23.82681 ?          ?        78.13618 15.79951 ?        ?        ?         ?        
1 1 1 3  65 4  o 155.7910 8.193261 246.7777   25.52872 246.7777   25.52872 ?          ?        155.7910 8.193261 ?        ?        ?         ?        
1 1 1 3  65 5  o 149.5166 8.537086 228.0566   25.52872 228.0566   25.52872 ?          ?        149.5166 8.537086 ?        ?        ?         ?        
1 1 1 3  65 6  o 47.37581 17.91583 19.85567   23.25950 19.85567   23.25950 ?          ?        47.37581 17.91583 ?        ?        ?         ?        
1 1 1 3  65 7  o 50.07055 17.26148 26.09603   20.99029 26.09603   20.99029 ?          ?        50.07055 17.26148 ?        ?        ?         ?        
1 1 1 3  65 8  o 230.2286 7.761898 541.2089   35.74022 541.2089   35.74022 ?          ?        230.2286 7.761898 ?        ?        ?         ?        
1 1 1 3  66 0  o 135.9991 13.81439 195.1529   36.87482 195.1529   36.87482 195.1529   36.87482 135.9991 13.81439 135.9991 13.81439 -0.000000 0.000000 
1 1 1 3  66 1  o 219.8271 7.613027 490.7188   33.47099 490.7188   33.47099 ?          ?        219.8271 7.613027 ?        ?        ?         ?        
1 1 1 3  66 2  o 80.05605 14.33715 69.21120   22.12490 69.21120   22.12490 ?          ?        80.05605 14.33715 ?        ?        ?         ?        
1 1 1 3  66 3  o 73.01125 16.67612 58.99971   23.82681 58.99971   23.82681 ?          ?        73.01125 16.67612 ?        ?        ?         ?        
1 1 1 3  66 4  f 140.4466 8.684481 201.3933   24.39412 201.3933   24.39412 ?          ?        140.4466 8.684481 ?        ?        ?         ?        
1 1 1 3  66 5  o 67.16045 16.55549 50.49014   22.12490 50.49014   22.12490 ?          ?        67.16045 16.55549 ?        ?        ?         ?        
1 1 1 3  66 6  o 132.2353 9.438259 179.8357   24.96142 179.8357   24.96142 ?          ?        132.2353 9.438259 ?        ?        ?         ?        
1 1 1 3  66 7  o 60.74076 17.05164 41.98057   21.55759 41.98057   21.55759 ?          ?        60.74076 17.05164 ?        ?        ?         ?        
1 1 1 3  67 0  o 162.7706 12.33909 274.5756   39.71135 274.5756   39.71135 274.5756   39.71135 162.7706 12.33909 162.7706 12.33909 -0.000000 0.000000 
1 1 1 3  67 1  o 116.6242 10.70165 140.1243   24.96142 140.1243   24.96142 ?          ?        116.6242 10.70165 ?        ?        ?         ?        
1 1 1 3  67 2  o 166.3936 7.671186 281.3832   25.52872 281.3832   25.52872 ?          ?        166.3936 7.671186 ?        ?        ?         ?        
1 1 1 3  67 3  o 60.53165 17.36599 40.84595   22.12490 40.84595   22.12490 ?          ?        60.53165 17.36599 ?        ?        ?         ?        
1 1 1 3  67 4  o 164.0122 8.301407 274.5756   27.23064 274.5756   27.23064 ?          ?        164.0122 8.301407 ?        ?        ?         ?        
1 1 1 3  67 5  o 65.14869 17.48287 48.22092   23.25950 48.22092   23.25950 ?          ?        65.14869 17.48287 ?        ?        ?         ?        
1 1 1 3  67 6  o 60.86448 16.73239 41.98057   20.99029 41.98057   20.99029 ?          ?        60.86448 16.73239 ?        ?        ?         ?        
1 1 1 3  68 0  o 225.5912 10.35729 519.6514   46.51900 519.6514   46.51900 519.6514   46.51900 225.5912 10.35729 225.5912 10.35729 -0.000000 0.000000 
1 1 1 3  68 1  o 52.06135 18.14904 27.79794   23.25950 27.79794   23.25950 ?          ?        52.06135 18.14904 ?        ?        ?         ?        
1 1 1 3  68 2  o 177.7796 8.137198 322.2292   28.93255 322.2292   28.93255 ?          ?        177.7796 8.137198 ?        ?        ?         ?        
1 1 1 3  68 3  o 61.32083 18.16056 42.54787   23.82681 42.54787   23.82681 ?          ?        61.32083 18.16056 ?        ?        ?         ?        
1 1 1 3  68 4  o 164.5047 8.104123 276.2775   26.66333 276.2775   26.66333 ?          ?        164.5047 8.104123 ?        ?        ?         ?        
1 1 1 3  68 5  o 79.01357 14.54566 68.64390   22.12490 68.64390   22.12490 ?          ?        79.01357 14.54566 ?        ?        ?         ?        
1 1 1 3  68 6  o 178.1418 8.120654 324.4984   28.93255 324.4984   28.93255 ?          ?        178.1418 8.120654 ?        ?        ?         ?        
1 1 1 3  69 0  o 32.34716 21.56652 -3.403830  36.30752 -3.403830  36.30752 -3.403830  36.30752 32.34716 21.56652 32.34716 21.56652 -0.000000 0.000000 
1 1 1 3  69 1  o 45.36120 17.87951 15.88454   23.82681 15.88454   23.82681 ?          ?        45.36120 17.87951 ?        ?        ?         ?        
1 1 1 3  69 2  o 217.5222 8.215302 483.3438   35.74022 483.3438   35.74022 ?          ?        217.5222 8.215302 ?        ?        ?         ?        
1 1 1 3  69 3  o 76.06171 16.15060 64.67276   23.82681 64.67276   23.82681 ?          ?        76.06171 16.15060 ?        ?        ?         ?        
1 1 1 3  69 4  o 79.96098 16.52537 72.04772   25.52872 72.04772   25.52872 ?          ?        79.96098 16.52537 ?        ?        ?         ?        
1 1 1 3  69 5  o 114.9798 10.60800 137.2878   24.39412 137.2878   24.39412 ?          ?        114.9798 10.60800 ?        ?        ?         ?        
1 1 1 3  70 0  o 30.99324 20.91484 -8.509575  36.30752 -8.509575  36.30752 -8.509575  36.30752 30.99324 20.91484 30.99324 20.91484 -0.000000 0.000000 
1 1 1 3  70 1  o 57.22619 19.04829 36.30752   25.52872 36.30752   25.52872 ?          ?        57.22619 19.04829 ?        ?        ?         ?        
1 1 1 3  70 2  o 106.2167 11.48318 117.9994   24.39412 117.9994   24.39412 ?          ?        106.2167 11.48318 ?        ?        ?         ?        
1 1 1 3  70 3  o 74.78124 18.32525 64.67276   27.23064 64.67276   27.23064 ?          ?        74.78124 18.32525 ?        ?        ?         ?        
1 1 1 3  71 0  o 140.3863 13.99241 209.3355   38.57674 209.3355   38.57674 209.3355   38.57674 140.3863 13.99241 140.3863 13.99241 -0.000000 0.000000 
1 1 1 3  71 1  o 138.9414 10.00348 199.6914   27.79794 199.6914   27.79794 ?          ?        138.9414 10.00348 ?        ?        ?         ?        
1 1 1 4  0  0  f 1030.738 43.03738 10758.37   883.8611 10758.37   883.8611 10758.37   883.8611 1030.738 43.03738 1030.738 43.03738 -0.000000 0.000000 
1 1 1 4  0  1  o 142.5677 3.586308 203.6625   10.21149 203.6625   10.21149 203.6625   10.21149 142.5677 3.586308 142.5677 3.586308 -0.000000 0.000000 
1 1 1 4  0  2  o 996.6683 20.51060 9980.597   408.4596 9980.597   408.4596 9980.597   408.4596 996.6683 20.51060 996.6683 20.51060 -0.000000 0.000000 
1 1 1 4  0  3  o 247.1912 5.629251 612.1221   27.79794 612.1221   27.79794 612.1221   27.79794 247.1912 5.629251 247.1912 5.629251 -0.000000 0.000000 
1 1 1 4  0  4  o 851.4261 17.57368 7269.446   298.9697 7269.446   298.9697 7269.446   298.9697 851.4261 17.57368 851.4261 17.57368 -0.000000 0.000000 
1 1 1 4  0  5  o 266.4932 5.860447 711.4004   31.20177 711.4004   31.20177 711.4004   31.20177 266.4932 5.860447 266.4932 5.860447 -0.000000 0.000000 
1 1 1 4  0  6  o 315.2189 6.846114 995.6202   43.11518 995.6202   43.11518 995.6202   43.11518 315.2189 6.846114 315.2189 6.846114 -0.000000 0.000000 
1 1 1 4  0  7  o 228.2254 5.226107 521.9205   23.82681 521.9205   23.82681 521.9205   23.82681 228.2254 5.226107 228.2254 5.226107 -0.000000 0.000000 
1 1 1 4  0  8  o 626.0313 13.10728 3935.395   163.9511 3935.395   163.9511 3935.395   163.9511 626.0313 13.10728 626.0313 13.10728 -0.000000 0.000000 
1 1 1 4  0  9  o 205.7820 7.464873 425.4788   30.63447 425.4788   30.63447 425.4788   30.63447 205.7820 7.464873 205.7820 7.464873 -0.000000 0.000000 
1 1 1 4  0  10 o 432.1421 14.34391 1877.212   123.6725 1877.212   123.6725 1877.212   123.6725 432.1421 14.34391 432.1421 14.34391 -0.000000 0.000000 
1 1 1 4  0  11 o 90.17812 7.003244 82.82652   12.48071 82.82652   12.48071 82.82652   12.48071 90.17812 7.003244 90.17812 7.003244 -0.000000 0.000000 
1 1 1 4  0  12 o 38.47081 16.19587 20.99029   12.48071 20.99029   12.48071 20.99029   12.48071 38.47081 16.19587 38.47081 16.19587 -0.000000 0.000000 
1 1 1 4  0  13 o 76.43309 9.512574 58.99971   14.74993 58.99971   14.74993 58.99971   14.74993 76.43309 9.512574 76.43309 9.512574 -0.000000 0.000000 
1 1 1 4  0  14 o 23.52347 15.15091 1.134610   15.88454 1.134610   15.88454 1.134610   15.88454 23.52347 15.15091 23.52347 15.15091 -0.000000 0.000000 
1 1 1 4  0  15 o 351.0826 11.49978 1240.696   80.55730 1240.696   80.55730 1240.696   80.55730 351.0826 11.49978 351.0826 11.49978 -0.000000 0.000000 
1 1 1 4  0  16 o 114.1510 9.314683 133.3167   20.99029 133.3167   20.99029 133.3167   20.99029 114.1510 9.314683 114.1510 9.314683 -0.000000 0.000000 
1 1 1 4  0  17 o 200.0112 8.399292 403.9211   33.47099 403.9211   33.47099 403.9211   33.47099 200.0112 8.399292 200.0112 8.399292 -0.000000 0.000000 
1 1 1 4  0  18 o 257.7570 9.492072 672.2563   48.78823 672.2563   48.78823 672.2563   48.78823 257.7570 9.492072 257.7570 9.492072 -0.000000 0.000000 
1 1 1 4  0  19 o 42.00127 20.11323 27.23064   19.28837 27.23064   19.28837 27.23064   19.28837 42.00127 20.11323 42.00127 20.11323 -0.000000 0.000000 
1 1 1 4  0  20 o 80.38403 15.84099 73.74965   22.69220 73.74965   22.69220 73.74965   22.69220 80.38403 15.84099 80.38403 15.84099 -0.000000 0.000000 
1 1 1 4  1  0  o 239.8656 5.445960 576.3818   26.09603 576.3818   26.09603 576.3818   26.09603 239.8656 5.445960 239.8656 5.445960 -0.000000 0.000000 
1 1 1 4  1  1  o 188.2790 3.615729 354.5656   13.61532 354.5656   13.61532 ?          ?        188.2790 3.615729 ?        ?        ?         ?        
1 1 1 4  1  2  o 461.0558 6.890506 2127.394   63.53815 2127.394   63.53815 ?          ?        461.0558 6.890506 ?        ?        ?         ?        
1 1 1 4  1  3  o 127.5942 2.445391 162.8165   6.240355 162.8165   6.240355 ?          ?        127.5942 2.445391 ?        ?        ?         ?        
1 1 1 4  1  4  o 1035.222 14.96049 10740.22   309.7485 10740.22   309.7485 ?          ?        1035.222 14.96049 ?        ?        ?         ?        
1 1 1 4  1  5  o 49.95832 2.838892 24.96142   2.836525 24.96142   2.836525 ?          ?        49.95832 2.838892 ?        ?        ?         ?        
1 1 1 4  1  6  o 637.8742 9.338365 4077.788   119.1340 4077.788   119.1340 ?          ?        637.8742 9.338365 ?        ?        ?         ?        
1 1 1 4  1  7  o 185.5364 3.210530 344.3541   11.91340 344.3541   11.91340 ?          ?        185.5364 3.210530 ?        ?        ?         ?        
1 1 1 4  1  8  o 651.3873 9.580099 4255.922   124.8071 4255.922   124.8071 ?          ?        651.3873 9.580099 ?        ?        ?         ?        
1 1 1 4  1  9  o 217.4531 4.435065 473.1324   19.28837 473.1324   19.28837 ?          ?        217.4531 4.435065 ?        ?        ?         ?        
1 1 1 4  1  10 o 138.0368 4.520790 190.6145   12.48071 190.6145   12.48071 ?          ?        138.0368 4.520790 ?        ?        ?         ?        
1 1 1 4  1  11 o 127.1317 4.016108 161.6819   10.21149 161.6819   10.21149 ?          ?        127.1317 4.016108 ?        ?        ?         ?        
1 1 1 4  1  12 o 376.8684 8.429753 1422.801   63.53815 1422.801   63.53815 ?          ?        376.8684 8.429753 ?        ?        ?         ?        
1 1 1 4  1  13 o 145.9947 5.051528 213.3067   14.74993 213.3067   14.74993 ?          ?        145.9947 5.051528 ?        ?        ?         ?        
1 1 1 4  1  14 o 445.8198 9.989111 1994.644   89.06688 1994.644   89.06688 ?          ?        445.8198 9.989111 ?        ?        ?         ?        
1 1 1 4  1  15 o 115.3513 6.147580 133.3167   14.18262 133.3167   14.18262 ?          ?        115.3513 6.147580 ?        ?        ?         ?        
1 1 1 4  1  16 o 196.4315 5.920513 386.9020   23.25950 386.9020   23.25950 ?          ?        196.4315 5.920513 ?        ?        ?         ?        
1 1 1 4  1  17 o 104.3091 7.070299 109.4899   14.74993 109.4899   14.74993 ?          ?        104.3091 7.070299 ?        ?        ?         ?        
1 1 1 4  1  18 o 70.48684 9.658058 50.49014   13.61532 50.49014   13.61532 ?          ?        70.48684 9.658058 ?        ?        ?         ?        
1 1 1 4  1  19 o 87.34193 8.443785 77.72078   14.74993 77.72078   14.74993 ?          ?        87.34193 8.443785 ?        ?        ?         ?        
1 1 1 4  1  20 o 137.3545 6.814873 191.7491   18.72106 191.7491   18.72106 ?          ?        137.3545 6.814873 ?        ?        ?         ?        
1 1 1 4  2  0  o 420.2267 8.918928 1769.424   74.88425 1769.424   74.88425 1769.424   74.88425 420.2267 8.918928 420.2267 8.918928 -0.000000 0.000000 
1 1 1 4  2  1  o 120.0343 2.363096 144.0954   5.673049 144.0954   5.673049 ?          ?        120.0343 2.363096 ?        ?        ?         ?        
1 1 1 4  2  2  o 1180.295 19.77862 14020.94   466.8920 14020.94   466.8920 ?          ?        1180.295 19.77862 ?        ?        ?         ?        
1 1 1 4  2  3  o 129.3605 2.412001 167.3549   6.240355 167.3549   6.240355 ?          ?        129.3605 2.412001 ?        ?        ?         ?        
1 1 1 4  2  4  o 1347.178 19.41300 18215.03   523.0552 18215.03   523.0552 ?          ?        1347.178 19.41300 ?        ?        ?         ?        
1 1 1 4  2  5  o 203.2054 3.350137 412.9980   13.61532 412.9980   13.61532 ?          ?        203.2054 3.350137 ?        ?        ?         ?        
1 1 1 4  2  6  o 725.6368 10.59343 5280.474   153.7396 5280.474   153.7396 ?          ?        725.6368 10.59343 ?        ?        ?         ?        
1 1 1 4  2  7  o 216.6877 3.534403 469.7285   15.31723 469.7285   15.31723 ?          ?        216.6877 3.534403 ?        ?        ?         ?        
1 1 1 4  2  8  o 786.4269 11.54192 6211.989   181.5376 6211.989   181.5376 ?          ?        786.4269 11.54192 ?        ?        ?         ?        
1 1 1 4  2  9  o 65.21075 4.349781 42.54787   5.673049 42.54787   5.673049 ?          ?        65.21075 4.349781 ?        ?        ?         ?        
1 1 1 4  2  10 o 346.0903 8.195910 1199.283   56.73050 1199.283   56.73050 ?          ?        346.0903 8.195910 ?        ?        ?         ?        
1 1 1 4  2  11 o 177.8840 4.305401 316.5562   15.31723 316.5562   15.31723 ?          ?        177.8840 4.305401 ?        ?        ?         ?        
1 1 1 4  2  12 o 419.2530 9.268959 1761.482   77.72078 1761.482   77.72078 ?          ?        419.2530 9.268959 ?        ?        ?         ?        
1 1 1 4  2  13 o 196.0368 5.353660 384.6328   20.99029 384.6328   20.99029 ?          ?        196.0368 5.353660 ?        ?        ?         ?        
1 1 1 4  2  14 o 78.54744 7.944696 61.83624   12.48071 61.83624   12.48071 ?          ?        78.54744 7.944696 ?        ?        ?         ?        
1 1 1 4  2  15 o 100.0767 7.085875 100.4130   14.18262 100.4130   14.18262 ?          ?        100.0767 7.085875 ?        ?        ?         ?        
1 1 1 4  2  16 o 84.33132 8.072516 71.48043   13.61532 71.48043   13.61532 ?          ?        84.33132 8.072516 ?        ?        ?         ?        
1 1 1 4  2  17 o 60.14705 11.73706 38.00943   13.61532 38.00943   13.61532 ?          ?        60.14705 11.73706 ?        ?        ?         ?        
1 1 1 4  2  18 o 141.4671 6.015233 201.3933   17.01915 201.3933   17.01915 ?          ?        141.4671 6.015233 ?        ?        ?         ?        
1 1 1 4  2  19 o 118.3865 6.708766 141.8262   15.88454 141.8262   15.88454 ?          ?        118.3865 6.708766 ?        ?        ?         ?        
1 1 1 4  2  20 o 103.5703 7.668484 109.4899   15.88454 109.4899   15.88454 ?          ?        103.5703 7.668484 ?        ?        ?         ?        
1 1 1 4  3  0  o 244.8870 5.566232 600.7759   27.23064 600.7759   27.23064 600.7759   27.23064 244.8870 5.566232 244.8870 5.566232 -0.000000 0.000000 
1 1 1 4  3  1  o 128.9203 2.420238 166.2204   6.240355 166.2204   6.240355 ?          ?        128.9203 2.420238 ?        ?        ?         ?        
1 1 1 4  3  2  o 1207.937 18.76243 14675.61   453.2767 14675.61   453.2767 ?          ?        1207.937 18.76243 ?        ?        ?         ?        
1 1 1 4  3  3  o 120.7411 2.584188 145.7974   6.240355 145.7974   6.240355 ?          ?        120.7411 2.584188 ?        ?        ?         ?        
1 1 1 4  3  4  o 911.1514 14.13357 8317.824   257.5565 8317.824   257.5565 ?          ?        911.1514 14.13357 ?        ?        ?         ?        
1 1 1 4  3  5  o 185.2442 3.368719 343.2195   12.48071 343.2195   12.48071 ?          ?        185.2442 3.368719 ?        ?        ?         ?        
1 1 1 4  3  6  o 224.5297 3.916286 504.3341   17.58645 504.3341   17.58645 ?          ?        224.5297 3.916286 ?        ?        ?         ?        
1 1 1 4  3  7  o 76.43002 2.969017 58.43241   4.538440 58.43241   4.538440 ?          ?        76.43002 2.969017 ?        ?        ?         ?        
1 1 1 4  3  8  o 706.2904 10.40167 5006.466   146.9320 5006.466   146.9320 ?          ?        706.2904 10.40167 ?        ?        ?         ?        
1 1 1 4  3  9  o 220.4509 3.731408 486.1804   16.45185 486.1804   16.45185 ?          ?        220.4509 3.731408 ?        ?        ?         ?        
1 1 1 4  3  10 o 407.9995 8.273209 1666.742   67.50929 1666.742   67.50929 ?          ?        407.9995 8.273209 ?        ?        ?         ?        
1 1 1 4  3  11 o 110.9323 4.091180 123.1052   9.076880 123.1052   9.076880 ?          ?        110.9323 4.091180 ?        ?        ?         ?        
1 1 1 4  3  12 o 489.7968 10.77168 2405.940   105.5187 2405.940   105.5187 ?          ?        489.7968 10.77168 ?        ?        ?         ?        
1 1 1 4  3  13 o 280.9341 6.562895 790.2558   36.87482 790.2558   36.87482 ?          ?        280.9341 6.562895 ?        ?        ?         ?        
1 1 1 4  3  14 o 507.0961 11.97044 2584.641   121.4033 2584.641   121.4033 ?          ?        507.0961 11.97044 ?        ?        ?         ?        
1 1 1 4  3  15 o 70.09518 9.307354 49.35553   13.04801 49.35553   13.04801 ?          ?        70.09518 9.307354 ?        ?        ?         ?        
1 1 1 4  3  16 o 260.6910 6.528477 681.9006   34.03830 681.9006   34.03830 ?          ?        260.6910 6.528477 ?        ?        ?         ?        
1 1 1 4  3  17 o 90.99548 7.481316 83.39383   13.61532 83.39383   13.61532 ?          ?        90.99548 7.481316 ?        ?        ?         ?        
1 1 1 4  3  18 o 256.7545 6.628570 664.3141   34.03830 664.3141   34.03830 ?          ?        256.7545 6.628570 ?        ?        ?         ?        
1 1 1 4  3  19 o 70.50702 10.05760 51.05745   14.18262 51.05745   14.18262 ?          ?        70.50702 10.05760 ?        ?        ?         ?        
1 1 1 4  3  20 o 153.4682 6.838641 239.4027   20.99029 239.4027   20.99029 ?          ?        153.4682 6.838641 ?        ?        ?         ?        
1 1 1 4  4  0  o 829.9996 17.13796 6914.313   284.2198 6914.313   284.2198 6914.313   284.2198 829.9996 17.13796 829.9996 17.13796 -0.000000 0.000000 
1 1 1 4  4  1  o 170.2511 2.832341 289.8928   9.644185 289.8928   9.644185 ?          ?        170.2511 2.832341 ?        ?        ?         ?        
1 1 1 4  4  2  o 780.0651 11.41788 6097.961   178.1338 6097.961   178.1338 ?          ?        780.0651 11.41788 ?        ?        ?         ?        
1 1 1 4  4  3  o 119.3234 2.614892 142.3935   6.240355 142.3935   6.240355 ?          ?        119.3234 2.614892 ?        ?        ?         ?        
1 1 1 4  4  4  o 618.3088 9.725615 3826.472   120.2687 3826.472   120.2687 ?          ?        618.3088 9.725615 ?        ?        ?         ?        
1 1 1 4  4  5  o 313.8360 5.151796 985.4087   32.33638 985.4087   32.33638 ?          ?        313.8360 5.151796 ?        ?        ?         ?        
1 1 1 4  4  6  o 307.5110 5.073277 946.2647   31.20177 946.2647   31.20177 ?          ?        307.5110 5.073277 ?        ?        ?         ?        
1 1 1 4  4  7  o 86.19745 2.632584 74.31695   4.538440 74.31695   4.538440 ?          ?        86.19745 2.632584 ?        ?        ?         ?        
1 1 1 4  4  8  o 628.4982 9.252017 3961.490   116.2975 3961.490   116.2975 ?          ?        628.4982 9.252017 ?        ?        ?         ?        
1 1 1 4  4  9  o 164.9922 3.266456 272.3064   10.77879 272.3064   10.77879 ?          ?        164.9922 3.266456 ?        ?        ?         ?        
1 1 1 4  4  10 o 136.3902 3.951456 186.0760   10.77879 186.0760   10.77879 ?          ?        136.3902 3.951456 ?        ?        ?         ?        
1 1 1 4  4  11 o 128.6839 3.967664 165.6530   10.21149 165.6530   10.21149 ?          ?        128.6839 3.967664 ?        ?        ?         ?        
1 1 1 4  4  12 o 325.9210 7.397641 1063.697   48.22092 1063.697   48.22092 ?          ?        325.9210 7.397641 ?        ?        ?         ?        
1 1 1 4  4  13 o 307.9958 7.551891 950.2358   46.51900 950.2358   46.51900 ?          ?        307.9958 7.551891 ?        ?        ?         ?        
1 1 1 4  4  14 o 417.6017 9.984853 1750.136   83.39383 1750.136   83.39383 ?          ?        417.6017 9.984853 ?        ?        ?         ?        
1 1 1 4  4  15 f 367.5445 8.334901 1355.859   61.26894 1355.859   61.26894 ?          ?        367.5445 8.334901 ?        ?        ?         ?        
1 1 1 4  4  16 f 109.9824 6.705588 121.4033   14.74993 121.4033   14.74993 ?          ?        109.9824 6.705588 ?        ?        ?         ?        
1 1 1 4  4  17 o 89.07279 7.961255 79.99000   14.18262 79.99000   14.18262 ?          ?        89.07279 7.961255 ?        ?        ?         ?        
1 1 1 4  4  18 o 100.8182 7.596461 102.6822   15.31723 102.6822   15.31723 ?          ?        100.8182 7.596461 ?        ?        ?         ?        
1 1 1 4  4  19 o 111.0926 7.659895 125.3744   17.01915 125.3744   17.01915 ?          ?        111.0926 7.659895 ?        ?        ?         ?        
1 1 1 4  4  20 o 123.4214 6.894732 154.8743   17.01915 154.8743   17.01915 ?          ?        123.4214 6.894732 ?        ?        ?         ?        
1 1 1 4  5  0  o 335.6028 7.276360 1128.370   48.78823 1128.370   48.78823 1128.370   48.78823 335.6028 7.276360 335.6028 7.276360 -0.000000 0.000000 
1 1 1 4  5  1  o 187.3789 3.027582 351.1618   11.34610 351.1618   11.34610 ?          ?        187.3789 3.027582 ?        ?        ?         ?        
1 1 1 4  5  2  o 367.2803 5.560597 1349.619   40.84595 1349.619   40.84595 ?          ?        367.2803 5.560597 ?        ?        ?         ?        
1 1 1 4  5  3  o 529.1302 7.773060 2801.919   82.25922 2801.919   82.25922 ?          ?        529.1302 7.773060 ?        ?        ?         ?        
1 1 1 4  5  4  o 852.5435 13.24199 7280.225   225.7874 7280.225   225.7874 ?          ?        852.5435 13.24199 ?        ?        ?         ?        
1 1 1 4  5  5  o 161.8806 2.803573 262.0949   9.076880 262.0949   9.076880 ?          ?        161.8806 2.803573 ?        ?        ?         ?        
1 1 1 4  5  6  o 177.8936 3.348464 316.5562   11.91340 316.5562   11.91340 ?          ?        177.8936 3.348464 ?        ?        ?         ?        
1 1 1 4  5  7  o 158.5054 3.042227 251.3161   9.644185 251.3161   9.644185 ?          ?        158.5054 3.042227 ?        ?        ?         ?        
1 1 1 4  5  8  o 200.0792 3.827793 400.5173   15.31723 400.5173   15.31723 ?          ?        200.0792 3.827793 ?        ?        ?         ?        
1 1 1 4  5  9  o 169.9050 3.172007 288.7582   10.77879 288.7582   10.77879 ?          ?        169.9050 3.172007 ?        ?        ?         ?        
1 1 1 4  5  10 f 217.8611 4.817355 474.8342   20.99029 474.8342   20.99029 ?          ?        217.8611 4.817355 ?        ?        ?         ?        
1 1 1 4  5  11 o 271.1565 5.753463 735.7945   31.20177 735.7945   31.20177 ?          ?        271.1565 5.753463 ?        ?        ?         ?        
1 1 1 4  5  12 o 199.6382 5.114997 398.8154   20.42298 398.8154   20.42298 ?          ?        199.6382 5.114997 ?        ?        ?         ?        
1 1 1 4  5  13 o 143.6392 5.331843 206.4990   15.31723 206.4990   15.31723 ?          ?        143.6392 5.331843 ?        ?        ?         ?        
1 1 1 4  5  14 o 374.6855 9.084497 1408.051   68.07660 1408.051   68.07660 ?          ?        374.6855 9.084497 ?        ?        ?         ?        
1 1 1 4  5  15 o 266.5914 6.915980 712.5350   36.87482 712.5350   36.87482 ?          ?        266.5914 6.915980 ?        ?        ?         ?        
1 1 1 4  5  16 o 725.2482 18.57777 5411.522   269.4698 5411.522   269.4698 ?          ?        725.2482 18.57777 ?        ?        ?         ?        
1 1 1 4  5  17 o 34.76747 13.33906 8.509575   13.04801 8.509575   13.04801 ?          ?        34.76747 13.33906 ?        ?        ?         ?        
1 1 1 4  5  18 o 115.6372 7.358856 135.0186   17.01915 135.0186   17.01915 ?          ?        115.6372 7.358856 ?        ?        ?         ?        
1 1 1 4  5  19 o 161.1852 6.335253 262.6622   20.42298 262.6622   20.42298 ?          ?        161.1852 6.335253 ?        ?        ?         ?        
1 1 1 4  5  20 o 34.26890 13.70164 7.374964   14.18262 7.374964   14.18262 ?          ?        34.26890 13.70164 ?        ?        ?         ?        
1 1 1 4  6  0  f 221.7141 4.995150 492.4207   22.12490 492.4207   22.12490 492.4207   22.12490 221.7141 4.995150 221.7141 4.995150 -0.000000 0.000000 
1 1 1 4  6  1  o 214.8712 3.432272 461.7863   14.74993 461.7863   14.74993 ?          ?        214.8712 3.432272 ?        ?        ?         ?        
1 1 1 4  6  2  o 375.0676 5.747654 1407.484   43.11518 1407.484   43.11518 ?          ?        375.0676 5.747654 ?        ?        ?         ?        
1 1 1 4  6  3  o 505.7060 7.516113 2559.113   76.01886 2559.113   76.01886 ?          ?        505.7060 7.516113 ?        ?        ?         ?        
1 1 1 4  6  4  o 927.5970 13.51604 8619.064   250.7488 8619.064   250.7488 ?          ?        927.5970 13.51604 ?        ?        ?         ?        
1 1 1 4  6  5  o 241.2037 4.468752 582.0549   21.55759 582.0549   21.55759 ?          ?        241.2037 4.468752 ?        ?        ?         ?        
1 1 1 4  6  6  o 296.8296 4.586914 881.5919   27.23064 881.5919   27.23064 ?          ?        296.8296 4.586914 ?        ?        ?         ?        
1 1 1 4  6  7  o 264.6041 4.502350 700.6216   23.82681 700.6216   23.82681 ?          ?        264.6041 4.502350 ?        ?        ?         ?        
1 1 1 4  6  8  o 404.4048 6.452948 1637.810   52.19205 1637.810   52.19205 ?          ?        404.4048 6.452948 ?        ?        ?         ?        
1 1 1 4  6  9  f 73.78555 3.459854 54.46128   5.105744 54.46128   5.105744 ?          ?        73.78555 3.459854 ?        ?        ?         ?        
1 1 1 4  6  10 o 343.3555 7.104624 1179.994   48.78823 1179.994   48.78823 ?          ?        343.3555 7.104624 ?        ?        ?         ?        
1 1 1 4  6  11 o 191.3923 4.594347 366.4790   17.58645 366.4790   17.58645 ?          ?        191.3923 4.594347 ?        ?        ?         ?        
1 1 1 4  6  12 o 582.9138 12.74922 3411.772   148.6339 3411.772   148.6339 ?          ?        582.9138 12.74922 ?        ?        ?         ?        
1 1 1 4  6  13 o 470.9801 11.92475 2227.807   112.3264 2227.807   112.3264 ?          ?        470.9801 11.92475 ?        ?        ?         ?        
1 1 1 4  6  14 o 568.8626 13.36331 3256.898   152.0377 3256.898   152.0377 ?          ?        568.8626 13.36331 ?        ?        ?         ?        
1 1 1 4  6  15 o 142.3825 5.777339 203.0952   16.45185 203.0952   16.45185 ?          ?        142.3825 5.777339 ?        ?        ?         ?        
1 1 1 4  6  16 f 345.6143 9.520349 1203.821   65.80738 1203.821   65.80738 ?          ?        345.6143 9.520349 ?        ?        ?         ?        
1 1 1 4  6  17 o 100.0959 7.651281 100.9803   15.31723 100.9803   15.31723 ?          ?        100.0959 7.651281 ?        ?        ?         ?        
1 1 1 4  6  18 o 41.82465 14.19778 17.01915   14.18262 17.01915   14.18262 ?          ?        41.82465 14.19778 ?        ?        ?         ?        
1 1 1 4  6  19 f 39.68339 14.13820 14.74993   14.18262 14.74993   14.18262 ?          ?        39.68339 14.13820 ?        ?        ?         ?        
1 1 1 4  6  20 o 121.1987 7.489255 149.7685   18.15376 149.7685   18.15376 ?          ?        121.1987 7.489255 ?        ?        ?         ?        
1 1 1 4  7  0  f 223.7350 5.204259 501.4976   23.25950 501.4976   23.25950 501.4976   23.25950 223.7350 5.204259 223.7350 5.204259 -0.000000 0.000000 
1 1 1 4  7  1  o 350.4579 5.341886 1228.783   37.44213 1228.783   37.44213 ?          ?        350.4579 5.341886 ?        ?        ?         ?        
1 1 1 4  7  2  o 407.3593 6.615042 1660.502   53.89397 1660.502   53.89397 ?          ?        407.3593 6.615042 ?        ?        ?         ?        
1 1 1 4  7  3  o 346.0874 5.327385 1198.148   36.87482 1198.148   36.87482 ?          ?        346.0874 5.327385 ?        ?        ?         ?        
1 1 1 4  7  4  f 1190.768 17.24638 14219.50   410.7288 14219.50   410.7288 ?          ?        1190.768 17.24638 ?        ?        ?         ?        
1 1 1 4  7  5  o 143.2898 2.969358 205.3644   8.509575 205.3644   8.509575 ?          ?        143.2898 2.969358 ?        ?        ?         ?        
1 1 1 4  7  6  o 546.1589 8.101998 2988.563   88.49958 2988.563   88.49958 ?          ?        546.1589 8.101998 ?        ?        ?         ?        
1 1 1 4  7  7  o 219.5227 4.393252 482.2092   19.28837 482.2092   19.28837 ?          ?        219.5227 4.393252 ?        ?        ?         ?        
1 1 1 4  7  8  f 554.4044 9.618730 3083.870   106.6533 3083.870   106.6533 ?          ?        554.4044 9.618730 ?        ?        ?         ?        
1 1 1 4  7  9  o 221.7778 6.394971 492.4207   28.36525 492.4207   28.36525 ?          ?        221.7778 6.394971 ?        ?        ?         ?        
1 1 1 4  7  10 o 795.5596 18.25508 6366.296   290.4601 6366.296   290.4601 ?          ?        795.5596 18.25508 ?        ?        ?         ?        
1 1 1 4  7  11 o 198.5138 4.858194 394.2770   19.28837 394.2770   19.28837 ?          ?        198.5138 4.858194 ?        ?        ?         ?        
1 1 1 4  7  12 o 485.8775 11.38399 2368.498   110.6245 2368.498   110.6245 ?          ?        485.8775 11.38399 ?        ?        ?         ?        
1 1 1 4  7  13 o 240.8786 6.241144 580.9203   30.06716 580.9203   30.06716 ?          ?        240.8786 6.241144 ?        ?        ?         ?        
1 1 1 4  7  14 o 663.7979 16.70812 4451.075   221.8162 4451.075   221.8162 ?          ?        663.7979 16.70812 ?        ?        ?         ?        
1 1 1 4  7  15 o 76.69671 7.396732 58.99971   11.34610 58.99971   11.34610 ?          ?        76.69671 7.396732 ?        ?        ?         ?        
1 1 1 4  7  16 o 117.9300 6.253681 139.5570   14.74993 139.5570   14.74993 ?          ?        117.9300 6.253681 ?        ?        ?         ?        
1 1 1 4  7  17 o 137.3353 7.435442 190.0471   20.42298 190.0471   20.42298 ?          ?        137.3353 7.435442 ?        ?        ?         ?        
1 1 1 4  7  18 o 193.4851 7.036883 377.8251   27.23064 377.8251   27.23064 ?          ?        193.4851 7.036883 ?        ?        ?         ?        
1 1 1 4  7  19 o 26.74630 11.93675 -4.538440  13.04801 -4.538440  13.04801 ?          ?        26.74630 11.93675 ?        ?        ?         ?        
1 1 1 4  7  20 o 140.0960 7.086452 199.6914   19.85567 199.6914   19.85567 ?          ?        140.0960 7.086452 ?        ?        ?         ?        
1 1 1 4  8  0  o 788.7366 16.34278 6242.624   257.5565 6242.624   257.5565 6242.624   257.5565 788.7366 16.34278 788.7366 16.34278 -0.000000 0.000000 
1 1 1 4  8  1  o 102.1634 2.498812 104.3841   5.105744 104.3841   5.105744 ?          ?        102.1634 2.498812 ?        ?        ?         ?        
1 1 1 4  8  2  o 172.5684 2.958679 297.8351   10.21149 297.8351   10.21149 ?          ?        172.5684 2.958679 ?        ?        ?         ?        
1 1 1 4  8  3  o 267.7569 4.237463 717.0735   22.69220 717.0735   22.69220 ?          ?        267.7569 4.237463 ?        ?        ?         ?        
1 1 1 4  8  4  o 334.8508 5.252027 1121.562   35.17290 1121.562   35.17290 ?          ?        334.8508 5.252027 ?        ?        ?         ?        
1 1 1 4  8  5  o 345.8512 5.331025 1197.013   36.87482 1197.013   36.87482 ?          ?        345.8512 5.331025 ?        ?        ?         ?        
1 1 1 4  8  6  o 446.7728 7.809173 1999.750   69.77851 1999.750   69.77851 ?          ?        446.7728 7.809173 ?        ?        ?         ?        
1 1 1 4  8  7  o 83.84567 4.397940 70.34581   7.374964 70.34581   7.374964 ?          ?        83.84567 4.397940 ?        ?        ?         ?        
1 1 1 4  8  8  o 348.5802 6.265773 1216.869   43.68248 1216.869   43.68248 ?          ?        348.5802 6.265773 ?        ?        ?         ?        
1 1 1 4  8  9  o 284.1266 6.988318 808.4095   39.71135 808.4095   39.71135 ?          ?        284.1266 6.988318 ?        ?        ?         ?        
1 1 1 4  8  10 o 501.9516 11.81057 2525.642   118.5667 2525.642   118.5667 ?          ?        501.9516 11.81057 ?        ?        ?         ?        
1 1 1 4  8  11 o 302.9821 7.395997 919.0341   44.81709 919.0341   44.81709 ?          ?        302.9821 7.395997 ?        ?        ?         ?        
1 1 1 4  8  12 o 1081.637 27.29958 11921.35   590.5645 11921.35   590.5645 ?          ?        1081.637 27.29958 ?        ?        ?         ?        
1 1 1 4  8  13 o 317.9783 9.188112 1013.774   58.43241 1013.774   58.43241 ?          ?        317.9783 9.188112 ?        ?        ?         ?        
1 1 1 4  8  14 o 251.7133 7.212078 634.8142   36.30752 634.8142   36.30752 ?          ?        251.7133 7.212078 ?        ?        ?         ?        
1 1 1 4  8  15 o 145.4963 6.433520 212.1721   18.72106 212.1721   18.72106 ?          ?        145.4963 6.433520 ?        ?        ?         ?        
1 1 1 4  8  16 o 55.60415 11.10563 32.33638   11.91340 32.33638   11.91340 ?          ?        55.60415 11.10563 ?        ?        ?         ?        
1 1 1 4  8  17 o 72.61183 8.984772 53.32666   13.04801 53.32666   13.04801 ?          ?        72.61183 8.984772 ?        ?        ?         ?        
1 1 1 4  8  18 o 92.64476 7.654305 86.79766   14.18262 86.79766   14.18262 ?          ?        92.64476 7.654305 ?        ?        ?         ?        
1 1 1 4  8  19 f 148.3409 6.883799 222.9509   20.42298 222.9509   20.42298 ?          ?        148.3409 6.883799 ?        ?        ?         ?        
1 1 1 4  8  20 o 139.0884 7.137788 196.8548   19.85567 196.8548   19.85567 ?          ?        139.0884 7.137788 ?        ?        ?         ?        
1 1 1 4  9  0  o 219.3863 5.178154 482.2092   22.69220 482.2092   22.69220 482.2092   22.69220 219.3863 5.178154 219.3863 5.178154 -0.000000 0.000000 
1 1 1 4  9  1  o 284.1820 4.491616 807.8422   25.52872 807.8422   25.52872 ?          ?        284.1820 4.491616 ?        ?        ?         ?        
1 1 1 4  9  2  o 60.72155 2.802819 36.87482   3.403830 36.87482   3.403830 ?          ?        60.72155 2.802819 ?        ?        ?         ?        
1 1 1 4  9  3  o 548.5457 8.635555 3011.255   94.73994 3011.255   94.73994 ?          ?        548.5457 8.635555 ?        ?        ?         ?        
1 1 1 4  9  4  o 733.5685 10.78823 5388.262   158.2781 5388.262   158.2781 ?          ?        733.5685 10.78823 ?        ?        ?         ?        
1 1 1 4  9  5  o 212.8671 3.597841 453.2767   15.31723 453.2767   15.31723 ?          ?        212.8671 3.597841 ?        ?        ?         ?        
1 1 1 4  9  6  o 360.7032 5.976545 1302.532   43.11518 1302.532   43.11518 ?          ?        360.7032 5.976545 ?        ?        ?         ?        
1 1 1 4  9  7  o 227.1354 4.495773 516.2476   20.42298 516.2476   20.42298 ?          ?        227.1354 4.495773 ?        ?        ?         ?        
1 1 1 4  9  8  o 270.3755 5.245528 731.8234   28.36525 731.8234   28.36525 ?          ?        270.3755 5.245528 ?        ?        ?         ?        
1 1 1 4  9  9  o 273.8837 6.731839 751.1118   36.87482 751.1118   36.87482 ?          ?        273.8837 6.731839 ?        ?        ?         ?        
1 1 1 4  9  10 o 94.34898 5.712194 89.06688   10.77879 89.06688   10.77879 ?          ?        94.34898 5.712194 ?        ?        ?         ?        
1 1 1 4  9  11 o 544.6027 14.01068 2977.784   152.6050 2977.784   152.6050 ?          ?        544.6027 14.01068 ?        ?        ?         ?        
1 1 1 4  9  12 o 442.0434 11.42199 1960.606   100.9803 1960.606   100.9803 ?          ?        442.0434 11.42199 ?        ?        ?         ?        
1 1 1 4  9  13 f 247.6561 7.330229 614.3914   36.30752 614.3914   36.30752 ?          ?        247.6561 7.330229 ?        ?        ?         ?        
1 1 1 4  9  14 o 410.7737 11.80810 1696.242   97.00916 1696.242   97.00916 ?          ?        410.7737 11.80810 ?        ?        ?         ?        
1 1 1 4  9  15 o 194.5631 6.852103 379.5270   26.66333 379.5270   26.66333 ?          ?        194.5631 6.852103 ?        ?        ?         ?        
1 1 1 4  9  16 o 217.4960 7.433787 475.4016   32.33638 475.4016   32.33638 ?          ?        217.4960 7.433787 ?        ?        ?         ?        
1 1 1 4  9  17 o 39.72373 12.67902 15.88454   11.34610 15.88454   11.34610 ?          ?        39.72373 12.67902 ?        ?        ?         ?        
1 1 1 4  9  18 o 118.5605 6.698918 141.8262   15.88454 141.8262   15.88454 ?          ?        118.5605 6.698918 ?        ?        ?         ?        
1 1 1 4  9  19 o 37.39539 13.26885 13.04801   12.48071 13.04801   12.48071 ?          ?        37.39539 13.26885 ?        ?        ?         ?        
1 1 1 4  10 0  o 320.1525 7.006803 1026.822   44.81709 1026.822   44.81709 1026.822   44.81709 320.1525 7.006803 320.1525 7.006803 -0.000000 0.000000 
1 1 1 4  10 1  o 684.2606 10.03184 4688.775   137.2878 4688.775   137.2878 ?          ?        684.2606 10.03184 ?        ?        ?         ?        
1 1 1 4  10 2  o 398.0404 6.057290 1585.050   48.22092 1585.050   48.22092 ?          ?        398.0404 6.057290 ?        ?        ?         ?        
1 1 1 4  10 3  o 267.3354 4.244144 714.8043   22.69220 714.8043   22.69220 ?          ?        267.3354 4.244144 ?        ?        ?         ?        
1 1 1 4  10 4  o 342.0395 5.307504 1170.350   36.30752 1170.350   36.30752 ?          ?        342.0395 5.307504 ?        ?        ?         ?        
1 1 1 4  10 5  o 343.3063 5.287920 1179.427   36.30752 1179.427   36.30752 ?          ?        343.3063 5.287920 ?        ?        ?         ?        
1 1 1 4  10 6  o 389.2976 6.411911 1517.541   49.92284 1517.541   49.92284 ?          ?        389.2976 6.411911 ?        ?        ?         ?        
1 1 1 4  10 7  o 259.2567 5.579905 672.8237   28.93255 672.8237   28.93255 ?          ?        259.2567 5.579905 ?        ?        ?         ?        
1 1 1 4  10 8  o 675.5617 11.63058 4589.497   157.1435 4589.497   157.1435 ?          ?        675.5617 11.63058 ?        ?        ?         ?        
1 1 1 4  10 9  o 27.95954 10.76057 5.105744   8.509575 5.105744   8.509575 ?          ?        27.95954 10.76057 ?        ?        ?         ?        
1 1 1 4  10 10 o 345.9003 9.102457 1198.148   62.97085 1198.148   62.97085 ?          ?        345.9003 9.102457 ?        ?        ?         ?        
1 1 1 4  10 11 o 850.1978 24.12153 7311.994   410.1615 7311.994   410.1615 ?          ?        850.1978 24.12153 ?        ?        ?         ?        
1 1 1 4  10 12 o 375.0419 12.10115 1412.022   90.76879 1412.022   90.76879 ?          ?        375.0419 12.10115 ?        ?        ?         ?        
1 1 1 4  10 13 o 156.9881 6.323944 246.7777   19.85567 246.7777   19.85567 ?          ?        156.9881 6.323944 ?        ?        ?         ?        
1 1 1 4  10 14 o 187.5187 6.958246 352.2964   26.09603 352.2964   26.09603 ?          ?        187.5187 6.958246 ?        ?        ?         ?        
1 1 1 4  10 15 o 398.6531 14.87092 1608.877   118.5667 1608.877   118.5667 ?          ?        398.6531 14.87092 ?        ?        ?         ?        
1 1 1 4  10 16 o 69.09345 14.79732 50.49014   19.85567 50.49014   19.85567 ?          ?        69.09345 14.79732 ?        ?        ?         ?        
1 1 1 4  10 17 o 85.49656 12.93906 74.88425   22.12490 74.88425   22.12490 ?          ?        85.49656 12.93906 ?        ?        ?         ?        
1 1 1 4  10 18 o 160.9436 8.812172 263.2295   28.36525 263.2295   28.36525 ?          ?        160.9436 8.812172 ?        ?        ?         ?        
1 1 1 4  10 19 o 100.4137 11.29935 104.3841   22.69220 104.3841   22.69220 ?          ?        100.4137 11.29935 ?        ?        ?         ?        
1 1 1 4  11 0  o 650.5052 13.53057 4242.307   175.8645 4242.307   175.8645 4242.307   175.8645 650.5052 13.53057 650.5052 13.53057 -0.000000 0.000000 
1 1 1 4  11 1  o 749.6344 11.01108 5628.232   165.0858 5628.232   165.0858 ?          ?        749.6344 11.01108 ?        ?        ?         ?        
1 1 1 4  11 2  f 598.9969 8.902661 3591.041   106.6533 3591.041   106.6533 ?          ?        598.9969 8.902661 ?        ?        ?         ?        
1 1 1 4  11 3  o 100.2032 2.547694 100.4130   5.105744 100.4130   5.105744 ?          ?        100.2032 2.547694 ?        ?        ?         ?        
1 1 1 4  11 4  f 858.1266 12.56084 7383.474   215.5759 7383.474   215.5759 ?          ?        858.1266 12.56084 ?        ?        ?         ?        
1 1 1 4  11 5  o 313.8193 4.880909 985.4087   30.63447 985.4087   30.63447 ?          ?        313.8193 4.880909 ?        ?        ?         ?        
1 1 1 4  11 6  o 217.2006 3.917842 471.9977   17.01915 471.9977   17.01915 ?          ?        217.2006 3.917842 ?        ?        ?         ?        
1 1 1 4  11 7  o 348.0331 6.438624 1212.898   44.81709 1212.898   44.81709 ?          ?        348.0331 6.438624 ?        ?        ?         ?        
1 1 1 4  11 8  o 20.53465 9.234160 -3.971134  7.942269 -3.971134  7.942269 ?          ?        20.53465 9.234160 ?        ?        ?         ?        
1 1 1 4  11 9  o 141.0587 5.228294 199.1240   14.74993 199.1240   14.74993 ?          ?        141.0587 5.228294 ?        ?        ?         ?        
1 1 1 4  11 10 o 427.4990 12.47410 1832.395   106.6533 1832.395   106.6533 ?          ?        427.4990 12.47410 ?        ?        ?         ?        
1 1 1 4  11 11 o 686.4621 19.54480 4747.775   268.3353 4747.775   268.3353 ?          ?        686.4621 19.54480 ?        ?        ?         ?        
1 1 1 4  11 12 o 315.7505 8.624102 999.0241   54.46128 999.0241   54.46128 ?          ?        315.7505 8.624102 ?        ?        ?         ?        
1 1 1 4  11 13 o 408.0948 10.63450 1671.848   86.79766 1671.848   86.79766 ?          ?        408.0948 10.63450 ?        ?        ?         ?        
1 1 1 4  11 14 o 428.7813 13.82602 1852.818   118.5667 1852.818   118.5667 ?          ?        428.7813 13.82602 ?        ?        ?         ?        
1 1 1 4  11 15 o 368.8736 12.14971 1372.311   89.63419 1372.311   89.63419 ?          ?        368.8736 12.14971 ?        ?        ?         ?        
1 1 1 4  11 16 o 333.9887 11.46538 1128.370   76.58617 1128.370   76.58617 ?          ?        333.9887 11.46538 ?        ?        ?         ?        
1 1 1 4  11 17 o 213.6348 7.966468 460.6516   34.03830 460.6516   34.03830 ?          ?        213.6348 7.966468 ?        ?        ?         ?        
1 1 1 4  11 18 o 44.26701 17.44849 13.61532   22.69220 13.61532   22.69220 ?          ?        44.26701 17.44849 ?        ?        ?         ?        
1 1 1 4  11 19 o 141.4980 9.622267 205.3644   27.23064 205.3644   27.23064 ?          ?        141.4980 9.622267 ?        ?        ?         ?        
1 1 1 4  12 0  o 1004.748 20.71309 10134.34   415.8346 10134.34   415.8346 10134.34   415.8346 1004.748 20.71309 1004.748 20.71309 -0.000000 0.000000 
1 1 1 4  12 1  o 368.7671 5.692017 1360.397   41.98057 1360.397   41.98057 ?          ?        368.7671 5.692017 ?        ?        ?         ?        
1 1 1 4  12 2  o 987.0900 14.33938 9763.317   283.0852 9763.317   283.0852 ?          ?        987.0900 14.33938 ?        ?        ?         ?        
1 1 1 4  12 3  o 193.0486 3.379463 372.7193   13.04801 372.7193   13.04801 ?          ?        193.0486 3.379463 ?        ?        ?         ?        
1 1 1 4  12 4  o 985.8933 14.47187 9764.453   285.3544 9764.453   285.3544 ?          ?        985.8933 14.47187 ?        ?        ?         ?        
1 1 1 4  12 5  o 255.1410 4.224642 651.2661   21.55759 651.2661   21.55759 ?          ?        255.1410 4.224642 ?        ?        ?         ?        
1 1 1 4  12 6  o 181.5149 3.437931 329.6042   12.48071 329.6042   12.48071 ?          ?        181.5149 3.437931 ?        ?        ?         ?        
1 1 1 4  12 7  o 302.8340 5.245295 917.8995   31.76908 917.8995   31.76908 ?          ?        302.8340 5.245295 ?        ?        ?         ?        
1 1 1 4  12 8  o 232.4031 4.882079 540.6417   22.69220 540.6417   22.69220 ?          ?        232.4031 4.882079 ?        ?        ?         ?        
1 1 1 4  12 9  o 345.7741 10.25426 1198.715   70.91312 1198.715   70.91312 ?          ?        345.7741 10.25426 ?        ?        ?         ?        
1 1 1 4  12 10 o 420.7397 10.98906 1773.963   92.47070 1773.963   92.47070 ?          ?        420.7397 10.98906 ?        ?        ?         ?        
1 1 1 4  12 11 o 233.9856 6.909907 548.0166   32.33638 548.0166   32.33638 ?          ?        233.9856 6.909907 ?        ?        ?         ?        
1 1 1 4  12 12 o 361.2068 9.659080 1308.205   69.77851 1308.205   69.77851 ?          ?        361.2068 9.659080 ?        ?        ?         ?        
1 1 1 4  12 13 o 198.9480 7.271385 396.5462   28.93255 396.5462   28.93255 ?          ?        198.9480 7.271385 ?        ?        ?         ?        
1 1 1 4  12 14 o 415.6454 15.83258 1746.165   131.6148 1746.165   131.6148 ?          ?        415.6454 15.83258 ?        ?        ?         ?        
1 1 1 4  12 15 o 131.8714 8.819013 174.7299   23.25950 174.7299   23.25950 ?          ?        131.8714 8.819013 ?        ?        ?         ?        
1 1 1 4  12 16 o 270.5113 8.912922 736.9291   48.22092 736.9291   48.22092 ?          ?        270.5113 8.912922 ?        ?        ?         ?        
1 1 1 4  12 17 o 296.0462 9.389731 887.8322   55.59589 887.8322   55.59589 ?          ?        296.0462 9.389731 ?        ?        ?         ?        
1 1 1 4  12 18 o 73.58425 15.51791 58.99971   22.12490 58.99971   22.12490 ?          ?        73.58425 15.51791 ?        ?        ?         ?        
1 1 1 4  12 19 o 30.73438 15.05143 -55.02858  31.20177 -55.02858  31.20177 ?          ?        30.73438 15.05143 ?        ?        ?         ?        
1 1 1 4  13 0  o 358.5402 7.840546 1287.782   56.16319 1287.782   56.16319 1287.782   56.16319 358.5402 7.840546 358.5402 7.840546 -0.000000 0.000000 
1 1 1 4  13 1  o 563.0320 8.413370 3172.369   94.73994 3172.369   94.73994 ?          ?        563.0320 8.413370 ?        ?        ?         ?        
1 1 1 4  13 2  o 320.0480 5.051802 1024.553   32.33638 1024.553   32.33638 ?          ?        320.0480 5.051802 ?        ?        ?         ?        
1 1 1 4  13 3  o 404.4710 6.171373 1636.675   49.92284 1636.675   49.92284 ?          ?        404.4710 6.171373 ?        ?        ?         ?        
1 1 1 4  13 4  o 636.2032 9.452064 4056.798   120.2687 4056.798   120.2687 ?          ?        636.2032 9.452064 ?        ?        ?         ?        
1 1 1 4  13 5  o 277.5862 4.496157 770.9675   24.96142 770.9675   24.96142 ?          ?        277.5862 4.496157 ?        ?        ?         ?        
1 1 1 4  13 6  o 74.92445 3.785846 56.16319   5.673049 56.16319   5.673049 ?          ?        74.92445 3.785846 ?        ?        ?         ?        
1 1 1 4  13 7  o 181.6744 3.278778 330.1715   11.91340 330.1715   11.91340 ?          ?        181.6744 3.278778 ?        ?        ?         ?        
1 1 1 4  13 8  o 217.5773 4.171794 473.6996   18.15376 473.6996   18.15376 ?          ?        217.5773 4.171794 ?        ?        ?         ?        
1 1 1 4  13 9  o 134.9014 5.466928 182.1049   14.74993 182.1049   14.74993 ?          ?        134.9014 5.466928 ?        ?        ?         ?        
1 1 1 4  13 10 o 473.0690 11.21253 2243.124   106.0860 2243.124   106.0860 ?          ?        473.0690 11.21253 ?        ?        ?         ?        
1 1 1 4  13 11 o 542.7402 12.75218 2955.659   138.4224 2955.659   138.4224 ?          ?        542.7402 12.75218 ?        ?        ?         ?        
1 1 1 4  13 12 o 577.7198 18.11739 3370.359   209.3355 3370.359   209.3355 ?          ?        577.7198 18.11739 ?        ?        ?         ?        
1 1 1 4  13 13 o 260.1508 8.286573 678.4968   43.11518 678.4968   43.11518 ?          ?        260.1508 8.286573 ?        ?        ?         ?        
1 1 1 4  13 14 o 503.0800 14.20856 2554.007   142.9609 2554.007   142.9609 ?          ?        503.0800 14.20856 ?        ?        ?         ?        
1 1 1 4  13 15 o 374.4355 11.28745 1413.724   84.52843 1413.724   84.52843 ?          ?        374.4355 11.28745 ?        ?        ?         ?        
1 1 1 4  13 16 o 305.6809 9.464953 942.2936   57.86510 942.2936   57.86510 ?          ?        305.6809 9.464953 ?        ?        ?         ?        
1 1 1 4  13 17 o 179.2829 8.701828 325.0657   31.20177 325.0657   31.20177 ?          ?        179.2829 8.701828 ?        ?        ?         ?        
1 1 1 4  13 18 o 219.9652 11.60580 498.6611   51.05745 498.6611   51.05745 ?          ?        219.9652 11.60580 ?        ?        ?         ?        
1 1 1 4  13 19 o 42.14545 17.52747 7.942269   24.39412 7.942269   24.39412 ?          ?        42.14545 17.52747 ?        ?        ?         ?        
1 1 1 4  14 0  o 555.7861 11.75004 3095.216   130.4801 3095.216   130.4801 3095.216   130.4801 555.7861 11.75004 555.7861 11.75004 -0.000000 0.000000 
1 1 1 4  14 1  o 531.3104 7.954714 2824.611   84.52843 2824.611   84.52843 ?          ?        531.3104 7.954714 ?        ?        ?         ?        
1 1 1 4  14 2  o 741.4293 10.94165 5503.425   162.2492 5503.425   162.2492 ?          ?        741.4293 10.94165 ?        ?        ?         ?        
1 1 1 4  14 3  o 840.2202 12.28839 7075.427   206.4990 7075.427   206.4990 ?          ?        840.2202 12.28839 ?        ?        ?         ?        
1 1 1 4  14 4  o 463.3922 7.039401 2150.086   65.24007 2150.086   65.24007 ?          ?        463.3922 7.039401 ?        ?        ?         ?        
1 1 1 4  14 5  o 461.2049 7.011284 2130.230   64.67276 2130.230   64.67276 ?          ?        461.2049 7.011284 ?        ?        ?         ?        
1 1 1 4  14 6  o 526.6859 7.970703 2779.794   83.96114 2779.794   83.96114 ?          ?        526.6859 7.970703 ?        ?        ?         ?        
1 1 1 4  14 7  o 568.1231 9.885743 3238.177   112.3264 3238.177   112.3264 ?          ?        568.1231 9.885743 ?        ?        ?         ?        
1 1 1 4  14 8  o 339.3460 5.767571 1152.764   39.14404 1152.764   39.14404 ?          ?        339.3460 5.767571 ?        ?        ?         ?        
1 1 1 4  14 9  o 165.6674 4.622888 274.5756   15.31723 274.5756   15.31723 ?          ?        165.6674 4.622888 ?        ?        ?         ?        
1 1 1 4  14 10 o 147.5538 5.382627 217.8451   15.88454 217.8451   15.88454 ?          ?        147.5538 5.382627 ?        ?        ?         ?        
1 1 1 4  14 11 o 84.49538 7.385439 71.48043   12.48071 71.48043   12.48071 ?          ?        84.49538 7.385439 ?        ?        ?         ?        
1 1 1 4  14 12 o 129.0552 6.813539 166.7877   17.58645 166.7877   17.58645 ?          ?        129.0552 6.813539 ?        ?        ?         ?        
1 1 1 4  14 13 o 368.5659 10.77456 1364.368   79.42269 1364.368   79.42269 ?          ?        368.5659 10.77456 ?        ?        ?         ?        
1 1 1 4  14 14 o 322.7787 9.930251 1046.678   64.10546 1046.678   64.10546 ?          ?        322.7787 9.930251 ?        ?        ?         ?        
1 1 1 4  14 15 o 212.6421 7.336687 453.8440   31.20177 453.8440   31.20177 ?          ?        212.6421 7.336687 ?        ?        ?         ?        
1 1 1 4  14 16 o 136.7258 8.505895 188.3452   23.25950 188.3452   23.25950 ?          ?        136.7258 8.505895 ?        ?        ?         ?        
1 1 1 4  14 17 o 128.6297 12.79008 169.6242   32.90369 169.6242   32.90369 ?          ?        128.6297 12.79008 ?        ?        ?         ?        
1 1 1 4  14 18 o 209.4801 8.801510 446.4690   36.87482 446.4690   36.87482 ?          ?        209.4801 8.801510 ?        ?        ?         ?        
1 1 1 4  14 19 o 180.3698 8.806649 333.0080   31.76908 333.0080   31.76908 ?          ?        180.3698 8.806649 ?        ?        ?         ?        
1 1 1 4  15 0  o 841.8282 17.50447 7106.062   294.4313 7106.062   294.4313 7106.062   294.4313 841.8282 17.50447 841.8282 17.50447 -0.000000 0.000000 
1 1 1 4  15 1  o 576.6716 8.607879 3327.811   99.27837 3327.811   99.27837 ?          ?        576.6716 8.607879 ?        ?        ?         ?        
1 1 1 4  15 2  o 606.1865 8.984245 3677.838   108.9226 3677.838   108.9226 ?          ?        606.1865 8.984245 ?        ?        ?         ?        
1 1 1 4  15 3  o 273.2825 4.463169 747.1406   24.39412 747.1406   24.39412 ?          ?        273.2825 4.463169 ?        ?        ?         ?        
1 1 1 4  15 4  o 279.1185 4.573098 779.4771   25.52872 779.4771   25.52872 ?          ?        279.1185 4.573098 ?        ?        ?         ?        
1 1 1 4  15 5  o 384.5069 5.901637 1480.099   45.38440 1480.099   45.38440 ?          ?        384.5069 5.901637 ?        ?        ?         ?        
1 1 1 4  15 6  o 116.9084 3.154165 136.7205   7.374964 136.7205   7.374964 ?          ?        116.9084 3.154165 ?        ?        ?         ?        
1 1 1 4  15 7  o 381.7572 6.687163 1459.676   51.05745 1459.676   51.05745 ?          ?        381.7572 6.687163 ?        ?        ?         ?        
1 1 1 4  15 8  o 589.0132 8.812774 3477.012   103.8168 3477.012   103.8168 ?          ?        589.0132 8.812774 ?        ?        ?         ?        
1 1 1 4  15 9  o 329.2640 7.322531 1085.254   48.22092 1085.254   48.22092 ?          ?        329.2640 7.322531 ?        ?        ?         ?        
1 1 1 4  15 10 o 212.2779 6.413913 451.0074   27.23064 451.0074   27.23064 ?          ?        212.2779 6.413913 ?        ?        ?         ?        
1 1 1 4  15 11 o 278.1461 8.464313 774.9386   47.08631 774.9386   47.08631 ?          ?        278.1461 8.464313 ?        ?        ?         ?        
1 1 1 4  15 12 o 214.1377 8.345149 459.5170   35.74022 459.5170   35.74022 ?          ?        214.1377 8.345149 ?        ?        ?         ?        
1 1 1 4  15 13 o 372.2633 9.981773 1391.032   74.31695 1391.032   74.31695 ?          ?        372.2633 9.981773 ?        ?        ?         ?        
1 1 1 4  15 14 f 171.9894 8.081297 296.7005   27.79794 296.7005   27.79794 ?          ?        171.9894 8.081297 ?        ?        ?         ?        
1 1 1 4  15 15 o 100.3230 11.30957 101.5476   22.69220 101.5476   22.69220 ?          ?        100.3230 11.30957 ?        ?        ?         ?        
1 1 1 4  15 16 f 168.2441 11.80171 287.6236   39.71135 287.6236   39.71135 ?          ?        168.2441 11.80171 ?        ?        ?         ?        
1 1 1 4  15 17 f 150.9759 9.018207 230.8931   27.23064 230.8931   27.23064 ?          ?        150.9759 9.018207 ?        ?        ?         ?        
1 1 1 4  15 18 o 127.0503 10.04670 165.0858   25.52872 165.0858   25.52872 ?          ?        127.0503 10.04670 ?        ?        ?         ?        
1 1 1 4  15 19 o 128.5266 10.37269 170.7588   26.66333 170.7588   26.66333 ?          ?        128.5266 10.37269 ?        ?        ?         ?        
1 1 1 4  16 0  o 183.5261 4.798533 337.5464   17.58645 337.5464   17.58645 337.5464   17.58645 183.5261 4.798533 183.5261 4.798533 -0.000000 0.000000 
1 1 1 4  16 1  o 855.9603 12.52636 7338.657   214.4413 7338.657   214.4413 ?          ?        855.9603 12.52636 ?        ?        ?         ?        
1 1 1 4  16 2  o 905.8485 13.27691 8226.489   240.5373 8226.489   240.5373 ?          ?        905.8485 13.27691 ?        ?        ?         ?        
1 1 1 4  16 3  o 514.1570 7.723583 2647.612   79.42269 2647.612   79.42269 ?          ?        514.1570 7.723583 ?        ?        ?         ?        
1 1 1 4  16 4  o 105.9702 3.212065 112.3264   6.807660 112.3264   6.807660 ?          ?        105.9702 3.212065 ?        ?        ?         ?        
1 1 1 4  16 5  o 594.2039 8.926737 3539.983   106.0860 3539.983   106.0860 ?          ?        594.2039 8.926737 ?        ?        ?         ?        
1 1 1 4  16 6  o 335.2443 5.415083 1124.966   36.30752 1124.966   36.30752 ?          ?        335.2443 5.415083 ?        ?        ?         ?        
1 1 1 4  16 7  o 465.9307 7.061927 2175.047   65.80738 2175.047   65.80738 ?          ?        465.9307 7.061927 ?        ?        ?         ?        
1 1 1 4  16 8  o 193.1464 4.699482 373.2867   18.15376 373.2867   18.15376 ?          ?        193.1464 4.699482 ?        ?        ?         ?        
1 1 1 4  16 9  o 425.6482 8.663217 1814.241   73.74965 1814.241   73.74965 ?          ?        425.6482 8.663217 ?        ?        ?         ?        
1 1 1 4  16 10 o 619.2588 13.32930 3849.731   165.0858 3849.731   165.0858 ?          ?        619.2588 13.32930 ?        ?        ?         ?        
1 1 1 4  16 11 o 224.9280 7.440381 506.6033   33.47099 506.6033   33.47099 ?          ?        224.9280 7.440381 ?        ?        ?         ?        
1 1 1 4  16 12 o 369.1468 9.835523 1366.638   72.61504 1366.638   72.61504 ?          ?        369.1468 9.835523 ?        ?        ?         ?        
1 1 1 4  16 13 o 174.8687 6.974979 306.3447   24.39412 306.3447   24.39412 ?          ?        174.8687 6.974979 ?        ?        ?         ?        
1 1 1 4  16 14 o 395.0381 11.48861 1569.733   90.76879 1569.733   90.76879 ?          ?        395.0381 11.48861 ?        ?        ?         ?        
1 1 1 4  16 15 o 448.5188 16.75915 2050.808   150.3358 2050.808   150.3358 ?          ?        448.5188 16.75915 ?        ?        ?         ?        
1 1 1 4  16 16 o 120.1842 10.38465 146.3647   24.96142 146.3647   24.96142 ?          ?        120.1842 10.38465 ?        ?        ?         ?        
1 1 1 4  16 17 o 56.61776 17.10216 34.03830   20.99029 34.03830   20.99029 ?          ?        56.61776 17.10216 ?        ?        ?         ?        
1 1 1 4  16 18 o 110.8317 11.26096 126.5090   24.96142 126.5090   24.96142 ?          ?        110.8317 11.26096 ?        ?        ?         ?        
1 1 1 4  16 19 o 174.4316 8.943842 312.0177   31.20177 312.0177   31.20177 ?          ?        174.4316 8.943842 ?        ?        ?         ?        
1 1 1 4  17 0  o 295.8009 6.527801 876.4862   38.57674 876.4862   38.57674 876.4862   38.57674 295.8009 6.527801 295.8009 6.527801 -0.000000 0.000000 
1 1 1 4  17 1  o 779.5664 11.49795 6088.317   179.2684 6088.317   179.2684 ?          ?        779.5664 11.49795 ?        ?        ?         ?        
1 1 1 4  17 2  o 262.7049 4.318953 690.4101   22.69220 690.4101   22.69220 ?          ?        262.7049 4.318953 ?        ?        ?         ?        
1 1 1 4  17 3  o 313.7220 4.972837 984.8415   31.20177 984.8415   31.20177 ?          ?        313.7220 4.972837 ?        ?        ?         ?        
1 1 1 4  17 4  o 165.6759 3.424186 274.5756   11.34610 274.5756   11.34610 ?          ?        165.6759 3.424186 ?        ?        ?         ?        
1 1 1 4  17 5  o 401.2125 6.150797 1611.714   49.35553 1611.714   49.35553 ?          ?        401.2125 6.150797 ?        ?        ?         ?        
1 1 1 4  17 6  o 244.5750 4.175197 598.5067   20.42298 598.5067   20.42298 ?          ?        244.5750 4.175197 ?        ?        ?         ?        
1 1 1 4  17 7  o 439.5457 6.711443 1935.645   58.99971 1935.645   58.99971 ?          ?        439.5457 6.711443 ?        ?        ?         ?        
1 1 1 4  17 8  o 199.9239 4.682048 399.9500   18.72106 399.9500   18.72106 ?          ?        199.9239 4.682048 ?        ?        ?         ?        
1 1 1 4  17 9  o 665.8364 13.29149 4447.104   176.9992 4447.104   176.9992 ?          ?        665.8364 13.29149 ?        ?        ?         ?        
1 1 1 4  17 10 o 563.4691 12.23271 3185.417   137.8551 3185.417   137.8551 ?          ?        563.4691 12.23271 ?        ?        ?         ?        
1 1 1 4  17 11 o 442.3033 16.22508 1969.116   143.5282 1969.116   143.5282 ?          ?        442.3033 16.22508 ?        ?        ?         ?        
1 1 1 4  17 12 o 141.4151 6.819772 200.2587   19.28837 200.2587   19.28837 ?          ?        141.4151 6.819772 ?        ?        ?         ?        
1 1 1 4  17 13 o 783.1281 19.88503 6221.066   311.4504 6221.066   311.4504 ?          ?        783.1281 19.88503 ?        ?        ?         ?        
1 1 1 4  17 14 o 329.2324 11.63102 1090.360   76.58617 1090.360   76.58617 ?          ?        329.2324 11.63102 ?        ?        ?         ?        
1 1 1 4  17 15 o 592.7967 16.74746 3581.396   198.5567 3581.396   198.5567 ?          ?        592.7967 16.74746 ?        ?        ?         ?        
1 1 1 4  17 16 o 220.6596 8.484137 491.2861   37.44213 491.2861   37.44213 ?          ?        220.6596 8.484137 ?        ?        ?         ?        
1 1 1 4  17 17 o 125.2810 9.735764 159.4127   24.39412 159.4127   24.39412 ?          ?        125.2810 9.735764 ?        ?        ?         ?        
1 1 1 4  17 18 o 194.9556 8.729754 387.4693   34.03830 387.4693   34.03830 ?          ?        194.9556 8.729754 ?        ?        ?         ?        
1 1 1 4  17 19 o 82.40556 16.06276 75.45156   25.52872 75.45156   25.52872 ?          ?        82.40556 16.06276 ?        ?        ?         ?        
1 1 1 4  18 0  o 186.8807 4.864344 350.0272   18.15376 350.0272   18.15376 350.0272   18.15376 186.8807 4.864344 186.8807 4.864344 -0.000000 0.000000 
1 1 1 4  18 1  o 545.0532 8.742929 2975.514   95.30723 2975.514   95.30723 ?          ?        545.0532 8.742929 ?        ?        ?         ?        
1 1 1 4  18 2  f 198.8167 3.566758 395.4115   14.18262 395.4115   14.18262 ?          ?        198.8167 3.566758 ?        ?        ?         ?        
1 1 1 4  18 3  o 366.8358 5.721983 1346.782   41.98057 1346.782   41.98057 ?          ?        366.8358 5.721983 ?        ?        ?         ?        
1 1 1 4  18 4  o 148.3351 3.442035 220.1143   10.21149 220.1143   10.21149 ?          ?        148.3351 3.442035 ?        ?        ?         ?        
1 1 1 4  18 5  o 447.6641 6.843182 2007.125   61.26894 2007.125   61.26894 ?          ?        447.6641 6.843182 ?        ?        ?         ?        
1 1 1 4  18 6  o 298.1323 4.947444 889.5342   29.49986 889.5342   29.49986 ?          ?        298.1323 4.947444 ?        ?        ?         ?        
1 1 1 4  18 7  o 354.7299 5.597406 1259.984   39.71135 1259.984   39.71135 ?          ?        354.7299 5.597406 ?        ?        ?         ?        
1 1 1 4  18 8  o 427.2743 8.763020 1829.558   74.88425 1829.558   74.88425 ?          ?        427.2743 8.763020 ?        ?        ?         ?        
1 1 1 4  18 9  o 569.8594 11.44845 3254.628   130.4801 3254.628   130.4801 ?          ?        569.8594 11.44845 ?        ?        ?         ?        
1 1 1 4  18 10 o 335.2904 7.529315 1125.533   50.49014 1125.533   50.49014 ?          ?        335.2904 7.529315 ?        ?        ?         ?        
1 1 1 4  18 11 o 335.3132 9.051482 1126.668   60.70163 1126.668   60.70163 ?          ?        335.3132 9.051482 ?        ?        ?         ?        
1 1 1 4  18 12 o 174.0928 6.843134 303.5081   23.82681 303.5081   23.82681 ?          ?        174.0928 6.843134 ?        ?        ?         ?        
1 1 1 4  18 13 o 491.3995 13.91134 2431.469   136.7205 2431.469   136.7205 ?          ?        491.3995 13.91134 ?        ?        ?         ?        
1 1 1 4  18 14 o 261.9454 7.904942 688.1410   41.41326 688.1410   41.41326 ?          ?        261.9454 7.904942 ?        ?        ?         ?        
1 1 1 4  18 15 o 192.3769 7.667203 371.5847   29.49986 371.5847   29.49986 ?          ?        192.3769 7.667203 ?        ?        ?         ?        
1 1 1 4  18 16 o 209.4542 7.719201 441.9306   32.33638 441.9306   32.33638 ?          ?        209.4542 7.719201 ?        ?        ?         ?        
1 1 1 4  18 17 o 279.6094 10.65183 796.4961   59.56702 796.4961   59.56702 ?          ?        279.6094 10.65183 ?        ?        ?         ?        
1 1 1 4  18 18 o 32.28223 15.14877 -22.69220  24.96142 -22.69220  24.96142 ?          ?        32.28223 15.14877 ?        ?        ?         ?        
1 1 1 4  18 19 o 297.5096 10.01094 913.3610   59.56702 913.3610   59.56702 ?          ?        297.5096 10.01094 ?        ?        ?         ?        
1 1 1 4  19 0  o 134.8996 4.637930 182.6722   12.48071 182.6722   12.48071 182.6722   12.48071 134.8996 4.637930 134.8996 4.637930 -0.000000 0.000000 
1 1 1 4  19 1  o 535.6437 8.049227 2873.967   86.23035 2873.967   86.23035 ?          ?        535.6437 8.049227 ?        ?        ?         ?        
1 1 1 4  19 2  o 273.0622 4.466769 746.0060   24.39412 746.0060   24.39412 ?          ?        273.0622 4.466769 ?        ?        ?         ?        
1 1 1 4  19 3  o 492.0490 7.378843 2424.661   72.61504 2424.661   72.61504 ?          ?        492.0490 7.378843 ?        ?        ?         ?        
1 1 1 4  19 4  o 176.6009 3.694209 312.0177   13.04801 312.0177   13.04801 ?          ?        176.6009 3.694209 ?        ?        ?         ?        
1 1 1 4  19 5  o 422.8315 6.574236 1790.415   55.59589 1790.415   55.59589 ?          ?        422.8315 6.574236 ?        ?        ?         ?        
1 1 1 4  19 6  o 195.6359 3.914731 382.9308   15.31723 382.9308   15.31723 ?          ?        195.6359 3.914731 ?        ?        ?         ?        
1 1 1 4  19 7  o 881.2328 12.97182 7811.789   228.6239 7811.789   228.6239 ?          ?        881.2328 12.97182 ?        ?        ?         ?        
1 1 1 4  19 8  o 329.1526 6.980305 1084.687   45.95170 1084.687   45.95170 ?          ?        329.1526 6.980305 ?        ?        ?         ?        
1 1 1 4  19 9  o 506.0329 10.93056 2565.920   110.6245 2565.920   110.6245 ?          ?        506.0329 10.93056 ?        ?        ?         ?        
1 1 1 4  19 10 o 123.9685 4.347392 153.7396   10.77879 153.7396   10.77879 ?          ?        123.9685 4.347392 ?        ?        ?         ?        
1 1 1 4  19 11 o 349.8844 8.593457 1226.513   60.13433 1226.513   60.13433 ?          ?        349.8844 8.593457 ?        ?        ?         ?        
1 1 1 4  19 12 o 348.9948 10.32218 1221.975   72.04772 1221.975   72.04772 ?          ?        348.9948 10.32218 ?        ?        ?         ?        
1 1 1 4  19 13 o 219.6297 7.490721 483.3438   32.90369 483.3438   32.90369 ?          ?        219.6297 7.490721 ?        ?        ?         ?        
1 1 1 4  19 14 o 249.2998 7.850797 623.4681   39.14404 623.4681   39.14404 ?          ?        249.2998 7.850797 ?        ?        ?         ?        
1 1 1 4  19 15 f 166.3724 7.672162 277.9794   25.52872 277.9794   25.52872 ?          ?        166.3724 7.672162 ?        ?        ?         ?        
1 1 1 4  19 16 o 244.5287 7.887977 602.4778   38.57674 602.4778   38.57674 ?          ?        244.5287 7.887977 ?        ?        ?         ?        
1 1 1 4  19 17 o 153.3715 7.952623 237.7008   24.39412 237.7008   24.39412 ?          ?        153.3715 7.952623 ?        ?        ?         ?        
1 1 1 4  19 18 o 104.6384 10.02991 112.3264   20.99029 112.3264   20.99029 ?          ?        104.6384 10.02991 ?        ?        ?         ?        
1 1 1 4  19 19 o 153.5891 8.310724 241.1046   25.52872 241.1046   25.52872 ?          ?        153.5891 8.310724 ?        ?        ?         ?        
1 1 1 4  20 0  o 132.1012 4.953821 175.2972   13.04801 175.2972   13.04801 175.2972   13.04801 132.1012 4.953821 132.1012 4.953821 -0.000000 0.000000 
1 1 1 4  20 1  o 876.2044 12.91677 7709.675   226.3547 7709.675   226.3547 ?          ?        876.2044 12.91677 ?        ?        ?         ?        
1 1 1 4  20 2  o 74.16463 4.207096 55.02858   6.240355 55.02858   6.240355 ?          ?        74.16463 4.207096 ?        ?        ?         ?        
1 1 1 4  20 3  o 109.3892 3.370975 119.7014   7.374964 119.7014   7.374964 ?          ?        109.3892 3.370975 ?        ?        ?         ?        
1 1 1 4  20 4  o 462.2649 7.117930 2140.441   65.80738 2140.441   65.80738 ?          ?        462.2649 7.117930 ?        ?        ?         ?        
1 1 1 4  20 5  o 221.4648 3.970485 490.7188   17.58645 490.7188   17.58645 ?          ?        221.4648 3.970485 ?        ?        ?         ?        
1 1 1 4  20 6  o 166.1772 3.584548 276.2775   11.91340 276.2775   11.91340 ?          ?        166.1772 3.584548 ?        ?        ?         ?        
1 1 1 4  20 7  o 742.8118 11.07403 5537.464   164.5184 5537.464   164.5184 ?          ?        742.8118 11.07403 ?        ?        ?         ?        
1 1 1 4  20 8  o 84.86175 4.679534 72.04772   7.942269 72.04772   7.942269 ?          ?        84.86175 4.679534 ?        ?        ?         ?        
1 1 1 4  20 9  o 786.9851 18.16564 6230.710   285.9217 6230.710   285.9217 ?          ?        786.9851 18.16564 ?        ?        ?         ?        
1 1 1 4  20 10 o 249.3857 5.687023 622.3336   28.36525 622.3336   28.36525 ?          ?        249.3857 5.687023 ?        ?        ?         ?        
1 1 1 4  20 11 o 796.6857 17.37478 6399.200   276.8448 6399.200   276.8448 ?          ?        796.6857 17.37478 ?        ?        ?         ?        
1 1 1 4  20 12 o 276.1955 8.729493 764.7272   48.22092 764.7272   48.22092 ?          ?        276.1955 8.729493 ?        ?        ?         ?        
1 1 1 4  20 13 o 190.2161 7.157818 362.5079   27.23064 362.5079   27.23064 ?          ?        190.2161 7.157818 ?        ?        ?         ?        
1 1 1 4  20 14 o 201.1066 7.334383 405.6230   29.49986 405.6230   29.49986 ?          ?        201.1066 7.334383 ?        ?        ?         ?        
1 1 1 4  20 15 o 302.6506 8.903663 921.8705   53.89397 921.8705   53.89397 ?          ?        302.6506 8.903663 ?        ?        ?         ?        
1 1 1 4  20 16 o 237.7758 8.708467 570.7088   41.41326 570.7088   41.41326 ?          ?        237.7758 8.708467 ?        ?        ?         ?        
1 1 1 4  20 17 o 142.7052 8.149493 205.9317   23.25950 205.9317   23.25950 ?          ?        142.7052 8.149493 ?        ?        ?         ?        
1 1 1 4  20 18 o 89.74128 10.74665 82.82652   19.28837 82.82652   19.28837 ?          ?        89.74128 10.74665 ?        ?        ?         ?        
1 1 1 4  20 19 f 80.85474 13.33106 69.21120   21.55759 69.21120   21.55759 ?          ?        80.85474 13.33106 ?        ?        ?         ?        
1 1 1 4  21 0  o 167.8423 4.910253 282.5179   16.45185 282.5179   16.45185 282.5179   16.45185 167.8423 4.910253 167.8423 4.910253 -0.000000 0.000000 
1 1 1 4  21 1  o 257.2416 4.300411 662.0449   22.12490 662.0449   22.12490 ?          ?        257.2416 4.300411 ?        ?        ?         ?        
1 1 1 4  21 2  o 235.4908 4.095355 554.8243   19.28837 554.8243   19.28837 ?          ?        235.4908 4.095355 ?        ?        ?         ?        
1 1 1 4  21 3  o 358.8313 5.612478 1288.917   40.27865 1288.917   40.27865 ?          ?        358.8313 5.612478 ?        ?        ?         ?        
1 1 1 4  21 4  o 241.5394 4.227669 583.7568   20.42298 583.7568   20.42298 ?          ?        241.5394 4.227669 ?        ?        ?         ?        
1 1 1 4  21 5  o 309.2341 5.045008 957.0435   31.20177 957.0435   31.20177 ?          ?        309.2341 5.045008 ?        ?        ?         ?        
1 1 1 4  21 6  o 110.9194 3.835929 123.1052   8.509575 123.1052   8.509575 ?          ?        110.9194 3.835929 ?        ?        ?         ?        
1 1 1 4  21 7  f 269.2350 5.899879 725.5831   31.76908 725.5831   31.76908 ?          ?        269.2350 5.899879 ?        ?        ?         ?        
1 1 1 4  21 8  o 313.6893 6.691424 984.8415   41.98057 984.8415   41.98057 ?          ?        313.6893 6.691424 ?        ?        ?         ?        
1 1 1 4  21 9  o 358.2312 7.997322 1284.946   57.29780 1284.946   57.29780 ?          ?        358.2312 7.997322 ?        ?        ?         ?        
1 1 1 4  21 10 o 236.3150 5.401418 558.7954   25.52872 558.7954   25.52872 ?          ?        236.3150 5.401418 ?        ?        ?         ?        
1 1 1 4  21 11 o 508.4593 11.21312 2594.853   114.0283 2594.853   114.0283 ?          ?        508.4593 11.21312 ?        ?        ?         ?        
1 1 1 4  21 12 o 70.15710 8.894830 49.35553   12.48071 49.35553   12.48071 ?          ?        70.15710 8.894830 ?        ?        ?         ?        
1 1 1 4  21 13 o 507.0234 14.48967 2592.016   146.9320 2592.016   146.9320 ?          ?        507.0234 14.48967 ?        ?        ?         ?        
1 1 1 4  21 14 o 68.63950 14.12114 49.35553   18.72106 49.35553   18.72106 ?          ?        68.63950 14.12114 ?        ?        ?         ?        
1 1 1 4  21 15 o 310.8966 8.941219 973.4954   55.59589 973.4954   55.59589 ?          ?        310.8966 8.941219 ?        ?        ?         ?        
1 1 1 4  21 16 o 194.3890 7.441919 380.6616   28.93255 380.6616   28.93255 ?          ?        194.3890 7.441919 ?        ?        ?         ?        
1 1 1 4  21 17 o 342.4360 10.76838 1196.446   73.74965 1196.446   73.74965 ?          ?        342.4360 10.76838 ?        ?        ?         ?        
1 1 1 4  21 18 o 56.20355 16.24414 34.60560   19.28837 34.60560   19.28837 ?          ?        56.20355 16.24414 ?        ?        ?         ?        
1 1 1 4  21 19 o 171.2169 8.283426 300.1043   28.36525 300.1043   28.36525 ?          ?        171.2169 8.283426 ?        ?        ?         ?        
1 1 1 4  22 0  o 85.55449 6.028130 74.31695   10.21149 74.31695   10.21149 74.31695   10.21149 85.55449 6.028130 85.55449 6.028130 -0.000000 0.000000 
1 1 1 4  22 1  o 88.13699 4.183808 77.72078   7.374964 77.72078   7.374964 ?          ?        88.13699 4.183808 ?        ?        ?         ?        
1 1 1 4  22 2  o 184.4580 3.536853 340.3830   13.04801 340.3830   13.04801 ?          ?        184.4580 3.536853 ?        ?        ?         ?        
1 1 1 4  22 3  o 285.6078 4.866455 816.3518   27.79794 816.3518   27.79794 ?          ?        285.6078 4.866455 ?        ?        ?         ?        
1 1 1 4  22 4  o 116.6591 3.647196 136.1532   8.509575 136.1532   8.509575 ?          ?        116.6591 3.647196 ?        ?        ?         ?        
1 1 1 4  22 5  o 66.91202 5.510942 44.81709   7.374964 44.81709   7.374964 ?          ?        66.91202 5.510942 ?        ?        ?         ?        
1 1 1 4  22 6  o 118.0976 3.842955 139.5570   9.076880 139.5570   9.076880 ?          ?        118.0976 3.842955 ?        ?        ?         ?        
1 1 1 4  22 7  o 599.1609 13.96578 3610.329   167.3549 3610.329   167.3549 ?          ?        599.1609 13.96578 ?        ?        ?         ?        
1 1 1 4  22 8  o 142.8723 5.360462 204.2298   15.31723 204.2298   15.31723 ?          ?        142.8723 5.360462 ?        ?        ?         ?        
1 1 1 4  22 9  o 860.0633 17.11684 7444.175   294.4313 7444.175   294.4313 ?          ?        860.0633 17.11684 ?        ?        ?         ?        
1 1 1 4  22 10 o 387.1658 8.791658 1501.656   68.07660 1501.656   68.07660 ?          ?        387.1658 8.791658 ?        ?        ?         ?        
1 1 1 4  22 11 o 376.8603 9.935280 1424.503   74.88425 1424.503   74.88425 ?          ?        376.8603 9.935280 ?        ?        ?         ?        
1 1 1 4  22 12 f 230.0122 6.412671 529.8629   29.49986 529.8629   29.49986 ?          ?        230.0122 6.412671 ?        ?        ?         ?        
1 1 1 4  22 13 o 498.4123 14.17089 2505.786   141.2589 2505.786   141.2589 ?          ?        498.4123 14.17089 ?        ?        ?         ?        
1 1 1 4  22 14 o 166.5992 7.831980 278.5467   26.09603 278.5467   26.09603 ?          ?        166.5992 7.831980 ?        ?        ?         ?        
1 1 1 4  22 15 o 386.0816 11.60819 1508.464   89.63419 1508.464   89.63419 ?          ?        386.0816 11.60819 ?        ?        ?         ?        
1 1 1 4  22 16 o 124.1986 8.907059 156.0089   22.12490 156.0089   22.12490 ?          ?        124.1986 8.907059 ?        ?        ?         ?        
1 1 1 4  22 17 o 136.4762 8.729292 188.9126   23.82681 188.9126   23.82681 ?          ?        136.4762 8.729292 ?        ?        ?         ?        
1 1 1 4  22 18 o 53.13955 16.46408 30.63447   19.28837 30.63447   19.28837 ?          ?        53.13955 16.46408 ?        ?        ?         ?        
1 1 1 4  22 19 f 204.2250 8.055745 426.6133   32.90369 426.6133   32.90369 ?          ?        204.2250 8.055745 ?        ?        ?         ?        
1 1 1 4  23 0  o 372.4671 8.462924 1391.032   62.97085 1391.032   62.97085 1391.032   62.97085 372.4671 8.462924 372.4671 8.462924 -0.000000 0.000000 
1 1 1 4  23 1  o 312.6962 5.079863 978.6010   31.76908 978.6010   31.76908 ?          ?        312.6962 5.079863 ?        ?        ?         ?        
1 1 1 4  23 2  o 201.2122 3.806239 405.0558   15.31723 405.0558   15.31723 ?          ?        201.2122 3.806239 ?        ?        ?         ?        
1 1 1 4  23 3  o 248.4818 4.223708 617.7951   20.99029 617.7951   20.99029 ?          ?        248.4818 4.223708 ?        ?        ?         ?        
1 1 1 4  23 4  o 205.8051 3.996948 423.7768   16.45185 423.7768   16.45185 ?          ?        205.8051 3.996948 ?        ?        ?         ?        
1 1 1 4  23 5  o 693.1203 10.23100 4822.092   141.8262 4822.092   141.8262 ?          ?        693.1203 10.23100 ?        ?        ?         ?        
1 1 1 4  23 6  o 252.5390 4.605132 638.2181   23.25950 638.2181   23.25950 ?          ?        252.5390 4.605132 ?        ?        ?         ?        
1 1 1 4  23 7  f 489.1906 14.03214 2405.373   137.2878 2405.373   137.2878 ?          ?        489.1906 14.03214 ?        ?        ?         ?        
1 1 1 4  23 8  o 118.5855 5.262324 140.6916   12.48071 140.6916   12.48071 ?          ?        118.5855 5.262324 ?        ?        ?         ?        
1 1 1 4  23 9  o 344.4338 7.823561 1187.937   53.89397 1187.937   53.89397 ?          ?        344.4338 7.823561 ?        ?        ?         ?        
1 1 1 4  23 10 o 262.3916 6.810473 689.2755   35.74022 689.2755   35.74022 ?          ?        262.3916 6.810473 ?        ?        ?         ?        
1 1 1 4  23 11 o 581.7614 16.38253 3411.772   190.6145 3411.772   190.6145 ?          ?        581.7614 16.38253 ?        ?        ?         ?        
1 1 1 4  23 12 o 140.6111 6.051854 197.9895   17.01915 197.9895   17.01915 ?          ?        140.6111 6.051854 ?        ?        ?         ?        
1 1 1 4  23 13 o 174.8875 5.838891 306.3447   20.42298 306.3447   20.42298 ?          ?        174.8875 5.838891 ?        ?        ?         ?        
1 1 1 4  23 14 o 131.2024 8.863980 173.0280   23.25950 173.0280   23.25950 ?          ?        131.2024 8.863980 ?        ?        ?         ?        
1 1 1 4  23 15 o 474.3842 12.61650 2282.268   119.7014 2282.268   119.7014 ?          ?        474.3842 12.61650 ?        ?        ?         ?        
1 1 1 4  23 16 o 124.0260 8.462051 155.4416   20.99029 155.4416   20.99029 ?          ?        124.0260 8.462051 ?        ?        ?         ?        
1 1 1 4  23 17 o 429.8812 12.93285 1911.818   111.1918 1911.818   111.1918 ?          ?        429.8812 12.93285 ?        ?        ?         ?        
1 1 1 4  23 18 o 61.92157 15.94137 42.54787   19.85567 42.54787   19.85567 ?          ?        61.92157 15.94137 ?        ?        ?         ?        
1 1 1 4  23 19 o 146.6085 8.319475 220.1143   24.39412 220.1143   24.39412 ?          ?        146.6085 8.319475 ?        ?        ?         ?        
1 1 1 4  24 0  o 265.8680 6.409625 708.5638   34.03830 708.5638   34.03830 708.5638   34.03830 265.8680 6.409625 265.8680 6.409625 -0.000000 0.000000 
1 1 1 4  24 1  o 105.6917 3.757282 111.7591   7.942269 111.7591   7.942269 ?          ?        105.6917 3.757282 ?        ?        ?         ?        
1 1 1 4  24 2  o 302.2832 4.973343 914.4956   30.06716 914.4956   30.06716 ?          ?        302.2832 4.973343 ?        ?        ?         ?        
1 1 1 4  24 3  o 245.4960 4.275076 603.0452   20.99029 603.0452   20.99029 ?          ?        245.4960 4.275076 ?        ?        ?         ?        
1 1 1 4  24 4  o 153.5850 3.878440 235.9989   11.91340 235.9989   11.91340 ?          ?        153.5850 3.878440 ?        ?        ?         ?        
1 1 1 4  24 5  o 341.1472 5.487680 1165.244   37.44213 1165.244   37.44213 ?          ?        341.1472 5.487680 ?        ?        ?         ?        
1 1 1 4  24 6  o 155.7904 3.823536 242.8065   11.91340 242.8065   11.91340 ?          ?        155.7904 3.823536 ?        ?        ?         ?        
1 1 1 4  24 7  o 471.5963 9.563423 2228.374   90.20149 2228.374   90.20149 ?          ?        471.5963 9.563423 ?        ?        ?         ?        
1 1 1 4  24 8  o 222.7301 5.985571 496.3919   26.66333 496.3919   26.66333 ?          ?        222.7301 5.985571 ?        ?        ?         ?        
1 1 1 4  24 9  o 146.9859 4.631505 216.1432   13.61532 216.1432   13.61532 ?          ?        146.9859 4.631505 ?        ?        ?         ?        
1 1 1 4  24 10 o 438.7114 9.892343 1929.404   86.79766 1929.404   86.79766 ?          ?        438.7114 9.892343 ?        ?        ?         ?        
1 1 1 4  24 11 o 62.05451 7.770736 38.57674   9.644185 38.57674   9.644185 ?          ?        62.05451 7.770736 ?        ?        ?         ?        
1 1 1 4  24 12 o 367.3485 9.111509 1353.590   66.94199 1353.590   66.94199 ?          ?        367.3485 9.111509 ?        ?        ?         ?        
1 1 1 4  24 13 o 204.4492 5.965814 418.6711   24.39412 418.6711   24.39412 ?          ?        204.4492 5.965814 ?        ?        ?         ?        
1 1 1 4  24 14 o 204.9514 8.303993 422.0749   34.03830 422.0749   34.03830 ?          ?        204.9514 8.303993 ?        ?        ?         ?        
1 1 1 4  24 15 f 216.6806 7.985394 472.5651   34.60560 472.5651   34.60560 ?          ?        216.6806 7.985394 ?        ?        ?         ?        
1 1 1 4  24 16 o 49.97483 16.04661 25.52872   18.15376 25.52872   18.15376 ?          ?        49.97483 16.04661 ?        ?        ?         ?        
1 1 1 4  24 17 o 99.81652 10.51443 102.1149   20.99029 102.1149   20.99029 ?          ?        99.81652 10.51443 ?        ?        ?         ?        
1 1 1 4  24 18 o 172.5699 7.889745 302.9409   27.23064 302.9409   27.23064 ?          ?        172.5699 7.889745 ?        ?        ?         ?        
1 1 1 4  25 0  o 105.7709 5.665985 112.8937   11.91340 112.8937   11.91340 112.8937   11.91340 105.7709 5.665985 105.7709 5.665985 -0.000000 0.000000 
1 1 1 4  25 1  o 822.0679 12.11117 6790.640   199.1240 6790.640   199.1240 ?          ?        822.0679 12.11117 ?        ?        ?         ?        
1 1 1 4  25 2  o 85.18394 4.661835 72.61504   7.942269 72.61504   7.942269 ?          ?        85.18394 4.661835 ?        ?        ?         ?        
1 1 1 4  25 3  o 316.3835 5.199969 1001.861   32.90369 1001.861   32.90369 ?          ?        316.3835 5.199969 ?        ?        ?         ?        
1 1 1 4  25 4  o 269.4818 4.526115 726.7177   24.39412 726.7177   24.39412 ?          ?        269.4818 4.526115 ?        ?        ?         ?        
1 1 1 4  25 5  o 180.5569 3.770367 326.2003   13.61532 326.2003   13.61532 ?          ?        180.5569 3.770367 ?        ?        ?         ?        
1 1 1 4  25 6  o 207.1593 4.929292 429.4498   20.42298 429.4498   20.42298 ?          ?        207.1593 4.929292 ?        ?        ?         ?        
1 1 1 4  25 7  o 223.9726 6.712242 502.0649   30.06716 502.0649   30.06716 ?          ?        223.9726 6.712242 ?        ?        ?         ?        
1 1 1 4  25 8  o 84.18688 5.390911 70.91312   9.076880 70.91312   9.076880 ?          ?        84.18688 5.390911 ?        ?        ?         ?        
1 1 1 4  25 9  o 621.0995 12.51342 3869.587   155.4416 3869.587   155.4416 ?          ?        621.0995 12.51342 ?        ?        ?         ?        
1 1 1 4  25 10 o 445.9070 10.05077 1993.510   89.63419 1993.510   89.63419 ?          ?        445.9070 10.05077 ?        ?        ?         ?        
1 1 1 4  25 11 o 284.5207 6.878944 810.6788   39.14404 810.6788   39.14404 ?          ?        284.5207 6.878944 ?        ?        ?         ?        
1 1 1 4  25 12 o 372.3095 8.685350 1389.897   64.67276 1389.897   64.67276 ?          ?        372.3095 8.685350 ?        ?        ?         ?        
1 1 1 4  25 13 o 357.7500 8.404520 1283.811   60.13433 1283.811   60.13433 ?          ?        357.7500 8.404520 ?        ?        ?         ?        
1 1 1 4  25 14 o 166.9973 6.454473 279.6813   21.55759 279.6813   21.55759 ?          ?        166.9973 6.454473 ?        ?        ?         ?        
1 1 1 4  25 15 o 70.09253 14.64063 52.19205   19.85567 52.19205   19.85567 ?          ?        70.09253 14.64063 ?        ?        ?         ?        
1 1 1 4  25 16 o 142.7208 8.347348 205.9317   23.82681 205.9317   23.82681 ?          ?        142.7208 8.347348 ?        ?        ?         ?        
1 1 1 4  25 17 o 35.82701 16.28759 -12.48071  25.52872 -12.48071  25.52872 ?          ?        35.82701 16.28759 ?        ?        ?         ?        
1 1 1 4  25 18 o 107.4995 10.29070 119.1340   22.12490 119.1340   22.12490 ?          ?        107.4995 10.29070 ?        ?        ?         ?        
1 1 1 4  26 0  o 151.9979 5.426982 232.0277   16.45185 232.0277   16.45185 232.0277   16.45185 151.9979 5.426982 151.9979 5.426982 -0.000000 0.000000 
1 1 1 4  26 1  o 521.5687 7.885751 2725.900   82.25922 2725.900   82.25922 ?          ?        521.5687 7.885751 ?        ?        ?         ?        
1 1 1 4  26 2  o 161.8579 3.680205 262.0949   11.91340 262.0949   11.91340 ?          ?        161.8579 3.680205 ?        ?        ?         ?        
1 1 1 4  26 3  o 734.5493 10.88967 5416.627   159.9800 5416.627   159.9800 ?          ?        734.5493 10.88967 ?        ?        ?         ?        
1 1 1 4  26 4  o 169.5452 3.847947 287.6236   13.04801 287.6236   13.04801 ?          ?        169.5452 3.847947 ?        ?        ?         ?        
1 1 1 4  26 5  o 290.5987 5.466143 845.2844   31.76908 845.2844   31.76908 ?          ?        290.5987 5.466143 ?        ?        ?         ?        
1 1 1 4  26 6  o 357.5173 10.55216 1282.109   75.45156 1282.109   75.45156 ?          ?        357.5173 10.55216 ?        ?        ?         ?        
1 1 1 4  26 7  o 1023.421 21.86802 10562.65   447.6036 10562.65   447.6036 ?          ?        1023.421 21.86802 ?        ?        ?         ?        
1 1 1 4  26 8  o 154.8754 4.578722 239.9700   14.18262 239.9700   14.18262 ?          ?        154.8754 4.578722 ?        ?        ?         ?        
1 1 1 4  26 9  o 667.1130 13.43613 4467.527   179.2684 4467.527   179.2684 ?          ?        667.1130 13.43613 ?        ?        ?         ?        
1 1 1 4  26 10 o 374.6221 8.631733 1406.349   64.67276 1406.349   64.67276 ?          ?        374.6221 8.631733 ?        ?        ?         ?        
1 1 1 4  26 11 o 289.0396 7.065807 836.7748   40.84595 836.7748   40.84595 ?          ?        289.0396 7.065807 ?        ?        ?         ?        
1 1 1 4  26 12 o 223.9128 6.207314 502.0649   27.79794 502.0649   27.79794 ?          ?        223.9128 6.207314 ?        ?        ?         ?        
1 1 1 4  26 13 o 389.4279 9.104782 1522.646   70.91312 1522.646   70.91312 ?          ?        389.4279 9.104782 ?        ?        ?         ?        
1 1 1 4  26 14 o 222.5015 6.246687 496.3919   27.79794 496.3919   27.79794 ?          ?        222.5015 6.246687 ?        ?        ?         ?        
1 1 1 4  26 15 o 53.21290 13.33965 30.06716   14.18262 30.06716   14.18262 ?          ?        53.21290 13.33965 ?        ?        ?         ?        
1 1 1 4  26 16 o 143.0557 12.49172 209.9028   35.74022 209.9028   35.74022 ?          ?        143.0557 12.49172 ?        ?        ?         ?        
1 1 1 4  26 17 o 68.49825 13.73554 50.49014   18.15376 50.49014   18.15376 ?          ?        68.49825 13.73554 ?        ?        ?         ?        
1 1 1 4  26 18 o 75.48103 13.65377 61.83624   19.85567 61.83624   19.85567 ?          ?        75.48103 13.65377 ?        ?        ?         ?        
1 1 1 4  27 0  o 136.7693 6.249844 188.3452   17.01915 188.3452   17.01915 188.3452   17.01915 136.7693 6.249844 136.7693 6.249844 -0.000000 0.000000 
1 1 1 4  27 1  o 399.7232 6.244676 1599.800   49.92284 1599.800   49.92284 ?          ?        399.7232 6.244676 ?        ?        ?         ?        
1 1 1 4  27 2  o 209.7600 4.056814 440.2286   17.01915 440.2286   17.01915 ?          ?        209.7600 4.056814 ?        ?        ?         ?        
1 1 1 4  27 3  o 192.1212 3.986347 369.3155   15.31723 369.3155   15.31723 ?          ?        192.1212 3.986347 ?        ?        ?         ?        
1 1 1 4  27 4  o 144.0430 4.135365 207.6336   11.91340 207.6336   11.91340 ?          ?        144.0430 4.135365 ?        ?        ?         ?        
1 1 1 4  27 5  o 510.1540 9.007418 2608.468   91.90340 2608.468   91.90340 ?          ?        510.1540 9.007418 ?        ?        ?         ?        
1 1 1 4  27 6  o 340.2162 7.753798 1159.004   52.75936 1159.004   52.75936 ?          ?        340.2162 7.753798 ?        ?        ?         ?        
1 1 1 4  27 7  o 497.6924 10.25884 2481.392   102.1149 2481.392   102.1149 ?          ?        497.6924 10.25884 ?        ?        ?         ?        
1 1 1 4  27 8  o 432.6214 8.982540 1874.943   77.72078 1874.943   77.72078 ?          ?        432.6214 8.982540 ?        ?        ?         ?        
1 1 1 4  27 9  o 197.6361 5.453860 390.8731   21.55759 390.8731   21.55759 ?          ?        197.6361 5.453860 ?        ?        ?         ?        
1 1 1 4  27 10 o 236.0195 6.009091 557.6608   28.36525 557.6608   28.36525 ?          ?        236.0195 6.009091 ?        ?        ?         ?        
1 1 1 4  27 11 o 525.7538 11.76144 2777.525   123.6725 2777.525   123.6725 ?          ?        525.7538 11.76144 ?        ?        ?         ?        
1 1 1 4  27 12 o 108.2779 6.549176 117.4321   14.18262 117.4321   14.18262 ?          ?        108.2779 6.549176 ?        ?        ?         ?        
1 1 1 4  27 13 o 296.6601 7.457995 882.7266   44.24979 882.7266   44.24979 ?          ?        296.6601 7.457995 ?        ?        ?         ?        
1 1 1 4  27 14 o 144.0800 6.299887 208.2009   18.15376 208.2009   18.15376 ?          ?        144.0800 6.299887 ?        ?        ?         ?        
1 1 1 4  27 15 o 175.5919 7.269335 310.3158   25.52872 310.3158   25.52872 ?          ?        175.5919 7.269335 ?        ?        ?         ?        
1 1 1 4  27 16 o 60.25587 17.09570 39.14404   21.55759 39.14404   21.55759 ?          ?        60.25587 17.09570 ?        ?        ?         ?        
1 1 1 4  27 17 o 119.1910 9.281280 145.2301   22.12490 145.2301   22.12490 ?          ?        119.1910 9.281280 ?        ?        ?         ?        
1 1 1 4  27 18 o 42.28726 16.21987 14.74993   19.28837 14.74993   19.28837 ?          ?        42.28726 16.21987 ?        ?        ?         ?        
1 1 1 4  28 0  o 198.2923 5.444890 394.2770   21.55759 394.2770   21.55759 394.2770   21.55759 198.2923 5.444890 198.2923 5.444890 -0.000000 0.000000 
1 1 1 4  28 1  o 485.3546 7.422174 2359.989   72.04772 2359.989   72.04772 ?          ?        485.3546 7.422174 ?        ?        ?         ?        
1 1 1 4  28 2  o 163.5942 3.814532 267.7679   12.48071 267.7679   12.48071 ?          ?        163.5942 3.814532 ?        ?        ?         ?        
1 1 1 4  28 3  o 324.0317 5.339848 1051.216   34.60560 1051.216   34.60560 ?          ?        324.0317 5.339848 ?        ?        ?         ?        
1 1 1 4  28 4  o 88.43246 5.773609 78.28809   10.21149 78.28809   10.21149 ?          ?        88.43246 5.773609 ?        ?        ?         ?        
1 1 1 4  28 5  o 233.3893 5.469128 545.1801   25.52872 545.1801   25.52872 ?          ?        233.3893 5.469128 ?        ?        ?         ?        
1 1 1 4  28 6  o 202.1952 5.050313 409.0269   20.42298 409.0269   20.42298 ?          ?        202.1952 5.050313 ?        ?        ?         ?        
1 1 1 4  28 7  o 1251.119 35.77626 16008.78   895.2073 16008.78   895.2073 ?          ?        1251.119 35.77626 ?        ?        ?         ?        
1 1 1 4  28 8  o 240.5873 5.777101 579.2183   27.79794 579.2183   27.79794 ?          ?        240.5873 5.777101 ?        ?        ?         ?        
1 1 1 4  28 9  o 300.7150 7.074452 905.4188   42.54787 905.4188   42.54787 ?          ?        300.7150 7.074452 ?        ?        ?         ?        
1 1 1 4  28 10 o 429.1576 9.848182 1847.145   84.52843 1847.145   84.52843 ?          ?        429.1576 9.848182 ?        ?        ?         ?        
1 1 1 4  28 11 o 475.6425 10.67478 2272.057   101.5476 2272.057   101.5476 ?          ?        475.6425 10.67478 ?        ?        ?         ?        
1 1 1 4  28 12 o 488.8412 11.02484 2401.969   107.7879 2401.969   107.7879 ?          ?        488.8412 11.02484 ?        ?        ?         ?        
1 1 1 4  28 13 o 232.3700 6.469674 541.2089   30.06716 541.2089   30.06716 ?          ?        232.3700 6.469674 ?        ?        ?         ?        
1 1 1 4  28 14 o 75.42828 9.025341 57.29780   13.61532 57.29780   13.61532 ?          ?        75.42828 9.025341 ?        ?        ?         ?        
1 1 1 4  28 15 o 296.3413 7.561735 884.4283   44.81709 884.4283   44.81709 ?          ?        296.3413 7.561735 ?        ?        ?         ?        
1 1 1 4  28 16 o 77.69256 9.492497 61.26894   14.74993 61.26894   14.74993 ?          ?        77.69256 9.492497 ?        ?        ?         ?        
1 1 1 4  28 17 o 115.8663 9.302786 137.2878   21.55759 137.2878   21.55759 ?          ?        115.8663 9.302786 ?        ?        ?         ?        
1 1 1 4  28 18 o 39.69503 15.78432 10.77879   18.72106 10.77879   18.72106 ?          ?        39.69503 15.78432 ?        ?        ?         ?        
1 1 1 4  29 0  o 172.9351 5.424483 300.1043   18.72106 300.1043   18.72106 300.1043   18.72106 172.9351 5.424483 172.9351 5.424483 -0.000000 0.000000 
1 1 1 4  29 1  o 391.1761 6.091071 1532.291   47.65361 1532.291   47.65361 ?          ?        391.1761 6.091071 ?        ?        ?         ?        
1 1 1 4  29 2  f 190.1837 4.026958 361.9406   15.31723 361.9406   15.31723 ?          ?        190.1837 4.026958 ?        ?        ?         ?        
1 1 1 4  29 3  o 259.7857 5.459354 675.6602   28.36525 675.6602   28.36525 ?          ?        259.7857 5.459354 ?        ?        ?         ?        
1 1 1 4  29 4  o 243.7609 4.538237 594.5356   22.12490 594.5356   22.12490 ?          ?        243.7609 4.538237 ?        ?        ?         ?        
1 1 1 4  29 5  o 529.4801 13.55369 2816.102   143.5282 2816.102   143.5282 ?          ?        529.4801 13.55369 ?        ?        ?         ?        
1 1 1 4  29 6  o 247.1098 5.739401 610.9874   28.36525 610.9874   28.36525 ?          ?        247.1098 5.739401 ?        ?        ?         ?        
1 1 1 4  29 7  o 681.5994 14.69035 4666.083   200.2587 4666.083   200.2587 ?          ?        681.5994 14.69035 ?        ?        ?         ?        
1 1 1 4  29 8  o 281.2863 6.857203 791.9578   38.57674 791.9578   38.57674 ?          ?        281.2863 6.857203 ?        ?        ?         ?        
1 1 1 4  29 9  o 880.4835 22.29315 7850.366   392.5750 7850.366   392.5750 ?          ?        880.4835 22.29315 ?        ?        ?         ?        
1 1 1 4  29 10 f 274.5004 6.716715 754.5156   36.87482 754.5156   36.87482 ?          ?        274.5004 6.716715 ?        ?        ?         ?        
1 1 1 4  29 11 o 419.6410 9.665955 1767.155   81.12460 1767.155   81.12460 ?          ?        419.6410 9.665955 ?        ?        ?         ?        
1 1 1 4  29 12 o 252.6887 6.847476 639.9200   34.60560 639.9200   34.60560 ?          ?        252.6887 6.847476 ?        ?        ?         ?        
1 1 1 4  29 13 o 562.3419 12.61032 3193.360   141.8262 3193.360   141.8262 ?          ?        562.3419 12.61032 ?        ?        ?         ?        
1 1 1 4  29 14 o 202.0409 6.177319 409.5942   24.96142 409.5942   24.96142 ?          ?        202.0409 6.177319 ?        ?        ?         ?        
1 1 1 4  29 15 o 390.6867 9.220653 1544.204   72.04772 1544.204   72.04772 ?          ?        390.6867 9.220653 ?        ?        ?         ?        
1 1 1 4  29 16 o 190.8021 8.622465 368.7482   32.90369 368.7482   32.90369 ?          ?        190.8021 8.622465 ?        ?        ?         ?        
1 1 1 4  29 17 o 108.8064 10.16709 121.4033   22.12490 121.4033   22.12490 ?          ?        108.8064 10.16709 ?        ?        ?         ?        
1 1 1 4  29 18 o 51.90722 16.24798 29.49986   18.72106 29.49986   18.72106 ?          ?        51.90722 16.24798 ?        ?        ?         ?        
1 1 1 4  30 0  o 51.55591 14.62439 32.33638   13.04801 32.33638   13.04801 32.33638   13.04801 51.55591 14.62439 51.55591 14.62439 -0.000000 0.000000 
1 1 1 4  30 1  o 503.1108 7.667643 2537.555   77.15348 2537.555   77.15348 ?          ?        503.1108 7.667643 ?        ?        ?         ?        
1 1 1 4  30 2  o 191.3178 5.633972 366.4790   21.55759 366.4790   21.55759 ?          ?        191.3178 5.633972 ?        ?        ?         ?        
1 1 1 4  30 3  o 322.3406 5.279865 1039.870   34.03830 1039.870   34.03830 ?          ?        322.3406 5.279865 ?        ?        ?         ?        
1 1 1 4  30 4  o 401.4871 8.266104 1615.117   66.37468 1615.117   66.37468 ?          ?        401.4871 8.266104 ?        ?        ?         ?        
1 1 1 4  30 5  o 212.8462 5.197391 453.2767   22.12490 453.2767   22.12490 ?          ?        212.8462 5.197391 ?        ?        ?         ?        
1 1 1 4  30 6  o 359.3104 7.657527 1292.321   55.02858 1292.321   55.02858 ?          ?        359.3104 7.657527 ?        ?        ?         ?        
1 1 1 4  30 7  o 394.2801 8.848851 1557.252   69.77851 1557.252   69.77851 ?          ?        394.2801 8.848851 ?        ?        ?         ?        
1 1 1 4  30 8  o 248.8877 6.724116 620.0643   33.47099 620.0643   33.47099 ?          ?        248.8877 6.724116 ?        ?        ?         ?        
1 1 1 4  30 9  o 659.2874 14.49912 4371.652   191.1818 4371.652   191.1818 ?          ?        659.2874 14.49912 ?        ?        ?         ?        
1 1 1 4  30 10 o 446.0984 10.17363 1996.346   90.76879 1996.346   90.76879 ?          ?        446.0984 10.17363 ?        ?        ?         ?        
1 1 1 4  30 11 o 417.5789 9.645759 1749.568   80.55730 1749.568   80.55730 ?          ?        417.5789 9.645759 ?        ?        ?         ?        
1 1 1 4  30 12 o 149.0096 5.901114 222.3835   17.58645 222.3835   17.58645 ?          ?        149.0096 5.901114 ?        ?        ?         ?        
1 1 1 4  30 13 o 147.2090 6.165982 217.2778   18.15376 217.2778   18.15376 ?          ?        147.2090 6.165982 ?        ?        ?         ?        
1 1 1 4  30 14 o 188.7252 6.162267 357.4021   23.25950 357.4021   23.25950 ?          ?        188.7252 6.162267 ?        ?        ?         ?        
1 1 1 4  30 15 o 366.6270 10.13523 1364.368   74.31695 1364.368   74.31695 ?          ?        366.6270 10.13523 ?        ?        ?         ?        
1 1 1 4  30 16 o 186.3313 7.763738 351.1618   28.93255 351.1618   28.93255 ?          ?        186.3313 7.763738 ?        ?        ?         ?        
1 1 1 4  30 17 o 85.00266 11.67944 74.88425   19.85567 74.88425   19.85567 ?          ?        85.00266 11.67944 ?        ?        ?         ?        
1 1 1 4  30 18 o 94.65116 11.38792 93.60532   21.55759 93.60532   21.55759 ?          ?        94.65116 11.38792 ?        ?        ?         ?        
1 1 1 4  31 0  o 185.8659 5.658170 346.6233   20.99029 346.6233   20.99029 346.6233   20.99029 185.8659 5.658170 185.8659 5.658170 -0.000000 0.000000 
1 1 1 4  31 1  o 241.7399 5.045530 584.8914   24.39412 584.8914   24.39412 ?          ?        241.7399 5.045530 ?        ?        ?         ?        
1 1 1 4  31 2  o 106.2160 4.806947 112.8937   10.21149 112.8937   10.21149 ?          ?        106.2160 4.806947 ?        ?        ?         ?        
1 1 1 4  31 3  o 443.4836 9.018373 1971.385   79.99000 1971.385   79.99000 ?          ?        443.4836 9.018373 ?        ?        ?         ?        
1 1 1 4  31 4  o 365.1817 7.689760 1335.436   56.16319 1335.436   56.16319 ?          ?        365.1817 7.689760 ?        ?        ?         ?        
1 1 1 4  31 5  o 344.2511 7.333330 1186.235   50.49014 1186.235   50.49014 ?          ?        344.2511 7.333330 ?        ?        ?         ?        
1 1 1 4  31 6  o 223.7537 5.451109 500.9303   24.39412 500.9303   24.39412 ?          ?        223.7537 5.451109 ?        ?        ?         ?        
1 1 1 4  31 7  o 172.2091 4.776706 296.7005   16.45185 296.7005   16.45185 ?          ?        172.2091 4.776706 ?        ?        ?         ?        
1 1 1 4  31 8  o 237.8329 6.201803 566.1703   29.49986 566.1703   29.49986 ?          ?        237.8329 6.201803 ?        ?        ?         ?        
1 1 1 4  31 9  o 838.5939 18.33303 7103.792   307.4793 7103.792   307.4793 ?          ?        838.5939 18.33303 ?        ?        ?         ?        
1 1 1 4  31 10 o 174.7600 6.005459 305.7773   20.99029 305.7773   20.99029 ?          ?        174.7600 6.005459 ?        ?        ?         ?        
1 1 1 4  31 11 o 349.8668 8.269590 1227.081   57.86510 1227.081   57.86510 ?          ?        349.8668 8.269590 ?        ?        ?         ?        
1 1 1 4  31 12 o 229.1073 6.438002 525.8917   29.49986 525.8917   29.49986 ?          ?        229.1073 6.438002 ?        ?        ?         ?        
1 1 1 4  31 13 o 151.3906 5.995668 229.7585   18.15376 229.7585   18.15376 ?          ?        151.3906 5.995668 ?        ?        ?         ?        
1 1 1 4  31 14 o 144.1860 6.098529 208.7682   17.58645 208.7682   17.58645 ?          ?        144.1860 6.098529 ?        ?        ?         ?        
1 1 1 4  31 15 o 70.96807 9.592567 51.05745   13.61532 51.05745   13.61532 ?          ?        70.96807 9.592567 ?        ?        ?         ?        
1 1 1 4  31 16 o 239.0131 6.764564 576.9491   32.33638 576.9491   32.33638 ?          ?        239.0131 6.764564 ?        ?        ?         ?        
1 1 1 4  31 17 o 181.0079 7.678654 333.0080   27.79794 333.0080   27.79794 ?          ?        181.0079 7.678654 ?        ?        ?         ?        
1 1 1 4  31 18 o 83.25424 12.60613 73.18234   20.99029 73.18234   20.99029 ?          ?        83.25424 12.60613 ?        ?        ?         ?        
1 1 1 4  32 0  o 496.6442 10.74860 2474.017   106.6533 2474.017   106.6533 2474.017   106.6533 496.6442 10.74860 496.6442 10.74860 -0.000000 0.000000 
1 1 1 4  32 1  o 437.6403 7.194362 1918.058   62.97085 1918.058   62.97085 ?          ?        437.6403 7.194362 ?        ?        ?         ?        
1 1 1 4  32 2  o 325.9102 7.049749 1063.697   45.95170 1063.697   45.95170 ?          ?        325.9102 7.049749 ?        ?        ?         ?        
1 1 1 4  32 3  o 376.2260 7.765601 1417.695   58.43241 1417.695   58.43241 ?          ?        376.2260 7.765601 ?        ?        ?         ?        
1 1 1 4  32 4  o 256.0018 5.872451 655.8046   30.06716 655.8046   30.06716 ?          ?        256.0018 5.872451 ?        ?        ?         ?        
1 1 1 4  32 5  o 726.1911 18.55365 5304.301   269.4698 5304.301   269.4698 ?          ?        726.1911 18.55365 ?        ?        ?         ?        
1 1 1 4  32 6  o 354.6169 9.598610 1259.984   68.07660 1259.984   68.07660 ?          ?        354.6169 9.598610 ?        ?        ?         ?        
1 1 1 4  32 7  o 404.1077 9.756731 1636.107   78.85539 1636.107   78.85539 ?          ?        404.1077 9.756731 ?        ?        ?         ?        
1 1 1 4  32 8  o 183.9577 5.705192 338.6811   20.99029 338.6811   20.99029 ?          ?        183.9577 5.705192 ?        ?        ?         ?        
1 1 1 4  32 9  o 276.7449 6.969729 766.9963   38.57674 766.9963   38.57674 ?          ?        276.7449 6.969729 ?        ?        ?         ?        
1 1 1 4  32 10 o 331.3622 7.960982 1100.572   52.75936 1100.572   52.75936 ?          ?        331.3622 7.960982 ?        ?        ?         ?        
1 1 1 4  32 11 o 791.4000 17.45499 6336.796   276.2775 6336.796   276.2775 ?          ?        791.4000 17.45499 ?        ?        ?         ?        
1 1 1 4  32 12 o 339.6440 8.351465 1157.870   56.73050 1157.870   56.73050 ?          ?        339.6440 8.351465 ?        ?        ?         ?        
1 1 1 4  32 13 o 175.6071 6.138016 309.1812   21.55759 309.1812   21.55759 ?          ?        175.6071 6.138016 ?        ?        ?         ?        
1 1 1 4  32 14 o 147.2242 6.358013 217.8451   18.72106 217.8451   18.72106 ?          ?        147.2242 6.358013 ?        ?        ?         ?        
1 1 1 4  32 15 o 315.6943 7.816983 1006.399   49.35553 1006.399   49.35553 ?          ?        315.6943 7.816983 ?        ?        ?         ?        
1 1 1 4  32 16 o 105.9384 6.961559 113.4610   14.74993 113.4610   14.74993 ?          ?        105.9384 6.961559 ?        ?        ?         ?        
1 1 1 4  32 17 o 239.5002 8.172029 584.3241   39.14404 584.3241   39.14404 ?          ?        239.5002 8.172029 ?        ?        ?         ?        
1 1 1 4  33 0  o 560.9876 16.10837 3166.696   180.4030 3166.696   180.4030 3166.696   180.4030 560.9876 16.10837 560.9876 16.10837 -0.000000 0.000000 
1 1 1 4  33 1  o 435.8329 8.916351 1903.875   77.72078 1903.875   77.72078 ?          ?        435.8329 8.916351 ?        ?        ?         ?        
1 1 1 4  33 2  o 282.6236 7.426940 799.9000   41.98057 799.9000   41.98057 ?          ?        282.6236 7.426940 ?        ?        ?         ?        
1 1 1 4  33 3  o 495.5732 10.07376 2460.969   99.84568 2460.969   99.84568 ?          ?        495.5732 10.07376 ?        ?        ?         ?        
1 1 1 4  33 4  o 69.40817 7.356114 48.22092   10.21149 48.22092   10.21149 ?          ?        69.40817 7.356114 ?        ?        ?         ?        
1 1 1 4  33 5  o 635.5840 18.34237 4064.173   233.1623 4064.173   233.1623 ?          ?        635.5840 18.34237 ?        ?        ?         ?        
1 1 1 4  33 6  o 135.9310 6.468889 184.9414   17.58645 184.9414   17.58645 ?          ?        135.9310 6.468889 ?        ?        ?         ?        
1 1 1 4  33 7  o 921.8549 28.70818 8652.535   529.2956 8652.535   529.2956 ?          ?        921.8549 28.70818 ?        ?        ?         ?        
1 1 1 4  33 8  o 481.9094 13.71441 2333.893   132.1821 2333.893   132.1821 ?          ?        481.9094 13.71441 ?        ?        ?         ?        
1 1 1 4  33 9  o 158.6261 5.901003 251.8834   18.72106 251.8834   18.72106 ?          ?        158.6261 5.901003 ?        ?        ?         ?        
1 1 1 4  33 10 o 380.2274 8.877489 1450.031   67.50929 1450.031   67.50929 ?          ?        380.2274 8.877489 ?        ?        ?         ?        
1 1 1 4  33 11 o 574.9671 13.86277 3334.051   159.4127 3334.051   159.4127 ?          ?        574.9671 13.86277 ?        ?        ?         ?        
1 1 1 4  33 12 o 90.54378 7.831916 82.25922   14.18262 82.25922   14.18262 ?          ?        90.54378 7.831916 ?        ?        ?         ?        
1 1 1 4  33 13 o 748.4272 19.44260 5770.626   291.0274 5770.626   291.0274 ?          ?        748.4272 19.44260 ?        ?        ?         ?        
1 1 1 4  33 14 o 124.8221 6.362872 156.5762   15.88454 156.5762   15.88454 ?          ?        124.8221 6.362872 ?        ?        ?         ?        
1 1 1 4  33 15 o 172.6796 6.242077 300.1043   21.55759 300.1043   21.55759 ?          ?        172.6796 6.242077 ?        ?        ?         ?        
1 1 1 4  33 16 o 77.52862 9.146703 61.26894   14.18262 61.26894   14.18262 ?          ?        77.52862 9.146703 ?        ?        ?         ?        
1 1 1 4  33 17 o 251.7567 7.999519 646.1603   40.27865 646.1603   40.27865 ?          ?        251.7567 7.999519 ?        ?        ?         ?        
1 1 1 4  34 0  o 544.1165 15.66793 2976.649   170.1915 2976.649   170.1915 2976.649   170.1915 544.1165 15.66793 544.1165 15.66793 -0.000000 0.000000 
1 1 1 4  34 1  o 247.4101 6.420328 612.6893   31.76908 612.6893   31.76908 ?          ?        247.4101 6.420328 ?        ?        ?         ?        
1 1 1 4  34 2  o 390.0982 8.143867 1523.781   63.53815 1523.781   63.53815 ?          ?        390.0982 8.143867 ?        ?        ?         ?        
1 1 1 4  34 3  o 522.7261 13.34896 2741.218   139.5570 2741.218   139.5570 ?          ?        522.7261 13.34896 ?        ?        ?         ?        
1 1 1 4  34 4  o 140.4766 5.048037 197.4221   14.18262 197.4221   14.18262 ?          ?        140.4766 5.048037 ?        ?        ?         ?        
1 1 1 4  34 5  o 672.1110 19.28687 4552.622   259.2584 4552.622   259.2584 ?          ?        672.1110 19.28687 ?        ?        ?         ?        
1 1 1 4  34 6  o 406.8853 12.26951 1660.502   99.84568 1660.502   99.84568 ?          ?        406.8853 12.26951 ?        ?        ?         ?        
1 1 1 4  34 7  o 545.8241 12.93997 2991.399   141.2589 2991.399   141.2589 ?          ?        545.8241 12.93997 ?        ?        ?         ?        
1 1 1 4  34 8  o 403.9619 9.970904 1636.675   80.55730 1636.675   80.55730 ?          ?        403.9619 9.970904 ?        ?        ?         ?        
1 1 1 4  34 9  o 752.3434 17.75789 5716.165   267.2006 5716.165   267.2006 ?          ?        752.3434 17.75789 ?        ?        ?         ?        
1 1 1 4  34 10 o 249.0356 6.720121 621.1990   33.47099 621.1990   33.47099 ?          ?        249.0356 6.720121 ?        ?        ?         ?        
1 1 1 4  34 11 o 211.5058 6.303216 448.1709   26.66333 448.1709   26.66333 ?          ?        211.5058 6.303216 ?        ?        ?         ?        
1 1 1 4  34 12 o 65.02397 10.03323 42.54787   13.04801 42.54787   13.04801 ?          ?        65.02397 10.03323 ?        ?        ?         ?        
1 1 1 4  34 13 f 106.5171 7.456333 114.0283   15.88454 114.0283   15.88454 ?          ?        106.5171 7.456333 ?        ?        ?         ?        
1 1 1 4  34 14 o 58.59269 12.47456 36.30752   14.18262 36.30752   14.18262 ?          ?        58.59269 12.47456 ?        ?        ?         ?        
1 1 1 4  34 15 o 134.9205 6.307101 183.2395   17.01915 183.2395   17.01915 ?          ?        134.9205 6.307101 ?        ?        ?         ?        
1 1 1 4  34 16 o 45.50847 13.42775 22.12490   13.04801 22.12490   13.04801 ?          ?        45.50847 13.42775 ?        ?        ?         ?        
1 1 1 4  34 17 o 264.7650 7.177956 712.5350   38.00943 712.5350   38.00943 ?          ?        264.7650 7.177956 ?        ?        ?         ?        
1 1 1 4  35 0  o 106.0952 8.114570 114.5956   17.01915 114.5956   17.01915 114.5956   17.01915 106.0952 8.114570 106.0952 8.114570 -0.000000 0.000000 
1 1 1 4  35 1  o 717.0926 14.27968 5161.908   204.7971 5161.908   204.7971 ?          ?        717.0926 14.27968 ?        ?        ?         ?        
1 1 1 4  35 2  o 564.7751 13.15868 3199.600   148.6339 3199.600   148.6339 ?          ?        564.7751 13.15868 ?        ?        ?         ?        
1 1 1 4  35 3  o 835.1922 19.25676 7019.264   321.6619 7019.264   321.6619 ?          ?        835.1922 19.25676 ?        ?        ?         ?        
1 1 1 4  35 4  o 472.5816 12.24447 2239.720   115.7302 2239.720   115.7302 ?          ?        472.5816 12.24447 ?        ?        ?         ?        
1 1 1 4  35 5  o 219.8952 5.933742 483.9111   26.09603 483.9111   26.09603 ?          ?        219.8952 5.933742 ?        ?        ?         ?        
1 1 1 4  35 6  f 755.7299 21.73194 5767.790   328.4696 5767.790   328.4696 ?          ?        755.7299 21.73194 ?        ?        ?         ?        
1 1 1 4  35 7  o 505.1320 15.77931 2567.622   159.4127 2567.622   159.4127 ?          ?        505.1320 15.77931 ?        ?        ?         ?        
1 1 1 4  35 8  o 268.3134 7.188745 721.0446   38.57674 721.0446   38.57674 ?          ?        268.3134 7.188745 ?        ?        ?         ?        
1 1 1 4  35 9  o 126.1714 6.294823 159.4127   15.88454 159.4127   15.88454 ?          ?        126.1714 6.294823 ?        ?        ?         ?        
1 1 1 4  35 10 o 218.5272 6.360293 478.2381   27.79794 478.2381   27.79794 ?          ?        218.5272 6.360293 ?        ?        ?         ?        
1 1 1 4  35 11 o 245.7893 6.693474 605.3144   32.90369 605.3144   32.90369 ?          ?        245.7893 6.693474 ?        ?        ?         ?        
1 1 1 4  35 12 o 375.1934 10.35743 1418.262   77.72078 1418.262   77.72078 ?          ?        375.1934 10.35743 ?        ?        ?         ?        
1 1 1 4  35 13 o 317.3138 8.760395 1013.774   55.59589 1013.774   55.59589 ?          ?        317.3138 8.760395 ?        ?        ?         ?        
1 1 1 4  35 14 o 101.5081 7.265397 103.8168   14.74993 103.8168   14.74993 ?          ?        101.5081 7.265397 ?        ?        ?         ?        
1 1 1 4  35 15 o 202.6360 6.439137 413.5653   26.09603 413.5653   26.09603 ?          ?        202.6360 6.439137 ?        ?        ?         ?        
1 1 1 4  35 16 o 135.2813 6.499957 184.9414   17.58645 184.9414   17.58645 ?          ?        135.2813 6.499957 ?        ?        ?         ?        
1 1 1 4  35 17 o 44.97707 14.15469 21.55759   14.18262 21.55759   14.18262 ?          ?        44.97707 14.15469 ?        ?        ?         ?        
1 1 1 4  36 0  o 842.3913 27.74468 7166.764   466.3247 7166.764   466.3247 7166.764   466.3247 842.3913 27.74468 842.3913 27.74468 -0.000000 0.000000 
1 1 1 4  36 1  o 541.3760 10.95050 2936.938   118.5667 2936.938   118.5667 ?          ?        541.3760 10.95050 ?        ?        ?         ?        
1 1 1 4  36 2  o 403.7543 8.430448 1632.136   68.07660 1632.136   68.07660 ?          ?        403.7543 8.430448 ?        ?        ?         ?        
1 1 1 4  36 3  o 285.4004 6.758355 815.2172   38.57674 815.2172   38.57674 ?          ?        285.4004 6.758355 ?        ?        ?         ?        
1 1 1 4  36 4  o 472.4192 11.28800 2238.018   106.6533 2238.018   106.6533 ?          ?        472.4192 11.28800 ?        ?        ?         ?        
1 1 1 4  36 5  o 860.6704 24.61899 7496.368   423.7768 7496.368   423.7768 ?          ?        860.6704 24.61899 ?        ?        ?         ?        
1 1 1 4  36 6  o 403.3172 13.08136 1633.271   105.5187 1633.271   105.5187 ?          ?        403.3172 13.08136 ?        ?        ?         ?        
1 1 1 4  36 7  o 215.6364 7.760980 465.7574   33.47099 465.7574   33.47099 ?          ?        215.6364 7.760980 ?        ?        ?         ?        
1 1 1 4  36 8  o 575.5311 17.98915 3344.263   207.0663 3344.263   207.0663 ?          ?        575.5311 17.98915 ?        ?        ?         ?        
1 1 1 4  36 9  o 353.3103 8.911551 1252.042   62.97085 1252.042   62.97085 ?          ?        353.3103 8.911551 ?        ?        ?         ?        
1 1 1 4  36 10 o 120.4155 6.360160 145.2301   15.31723 145.2301   15.31723 ?          ?        120.4155 6.360160 ?        ?        ?         ?        
1 1 1 4  36 11 o 245.8509 6.807174 605.8817   33.47099 605.8817   33.47099 ?          ?        245.8509 6.807174 ?        ?        ?         ?        
1 1 1 4  36 12 o 126.4988 6.951233 160.5473   17.58645 160.5473   17.58645 ?          ?        126.4988 6.951233 ?        ?        ?         ?        
1 1 1 4  36 13 o 58.65096 12.46545 36.30752   14.18262 36.30752   14.18262 ?          ?        58.65096 12.46545 ?        ?        ?         ?        
1 1 1 4  36 14 o 158.6078 6.259361 253.0180   19.85567 253.0180   19.85567 ?          ?        158.6078 6.259361 ?        ?        ?         ?        
1 1 1 4  36 15 o 426.1086 10.71747 1856.222   91.33610 1856.222   91.33610 ?          ?        426.1086 10.71747 ?        ?        ?         ?        
1 1 1 4  36 16 o 130.8205 6.504770 173.0280   17.01915 173.0280   17.01915 ?          ?        130.8205 6.504770 ?        ?        ?         ?        
1 1 1 4  36 17 o 36.58505 13.94442 10.77879   14.18262 10.77879   14.18262 ?          ?        36.58505 13.94442 ?        ?        ?         ?        
1 1 1 4  37 0  o 377.1636 11.30339 1427.907   85.09574 1427.907   85.09574 1427.907   85.09574 377.1636 11.30339 377.1636 11.30339 -0.000000 0.000000 
1 1 1 4  37 1  o 273.7648 6.216704 749.9771   34.03830 749.9771   34.03830 ?          ?        273.7648 6.216704 ?        ?        ?         ?        
1 1 1 4  37 2  o 603.8767 12.16573 3656.847   146.9320 3656.847   146.9320 ?          ?        603.8767 12.16573 ?        ?        ?         ?        
1 1 1 4  37 3  o 203.2983 5.441485 413.5653   22.12490 413.5653   22.12490 ?          ?        203.2983 5.441485 ?        ?        ?         ?        
1 1 1 4  37 4  o 498.0981 11.78805 2488.200   117.4321 2488.200   117.4321 ?          ?        498.0981 11.78805 ?        ?        ?         ?        
1 1 1 4  37 5  o 874.7482 24.90375 7752.790   435.6902 7752.790   435.6902 ?          ?        874.7482 24.90375 ?        ?        ?         ?        
1 1 1 4  37 6  o 22.72172 10.67130 -13.61532  12.48071 -13.61532  12.48071 ?          ?        22.72172 10.67130 ?        ?        ?         ?        
1 1 1 4  37 7  o 402.6195 12.96312 1629.300   104.3841 1629.300   104.3841 ?          ?        402.6195 12.96312 ?        ?        ?         ?        
1 1 1 4  37 8  o 81.03922 8.050432 65.80738   13.04801 65.80738   13.04801 ?          ?        81.03922 8.050432 ?        ?        ?         ?        
1 1 1 4  37 9  o 251.5330 6.540632 633.6796   32.90369 633.6796   32.90369 ?          ?        251.5330 6.540632 ?        ?        ?         ?        
1 1 1 4  37 10 o 239.4738 6.751551 574.6800   32.33638 574.6800   32.33638 ?          ?        239.4738 6.751551 ?        ?        ?         ?        
1 1 1 4  37 11 o 462.1358 10.61850 2148.951   98.14376 2148.951   98.14376 ?          ?        462.1358 10.61850 ?        ?        ?         ?        
1 1 1 4  37 12 o 156.6938 6.154798 246.2104   19.28837 246.2104   19.28837 ?          ?        156.6938 6.154798 ?        ?        ?         ?        
1 1 1 4  37 13 o 302.9590 8.051953 925.2744   48.78823 925.2744   48.78823 ?          ?        302.9590 8.051953 ?        ?        ?         ?        
1 1 1 4  37 14 o 146.5180 6.582255 216.1432   19.28837 216.1432   19.28837 ?          ?        146.5180 6.582255 ?        ?        ?         ?        
1 1 1 4  37 15 o 175.6970 6.296322 311.4504   22.12490 311.4504   22.12490 ?          ?        175.6970 6.296322 ?        ?        ?         ?        
1 1 1 4  37 16 o 160.9957 6.342710 262.0949   20.42298 262.0949   20.42298 ?          ?        160.9957 6.342710 ?        ?        ?         ?        
1 1 1 4  37 17 o 67.93786 11.27297 48.22092   15.31723 48.22092   15.31723 ?          ?        67.93786 11.27297 ?        ?        ?         ?        
1 1 1 4  38 0  o 931.7490 26.34931 8762.592   490.1515 8762.592   490.1515 8762.592   490.1515 931.7490 26.34931 931.7490 26.34931 -0.000000 0.000000 
1 1 1 4  38 1  o 455.3942 9.218513 2077.471   83.96114 2077.471   83.96114 ?          ?        455.3942 9.218513 ?        ?        ?         ?        
1 1 1 4  38 2  o 239.0442 5.814395 571.8434   27.79794 571.8434   27.79794 ?          ?        239.0442 5.814395 ?        ?        ?         ?        
1 1 1 4  38 3  o 848.8708 16.90813 7249.591   287.0563 7249.591   287.0563 ?          ?        848.8708 16.90813 ?        ?        ?         ?        
1 1 1 4  38 4  o 120.7049 5.874915 145.7974   14.18262 145.7974   14.18262 ?          ?        120.7049 5.874915 ?        ?        ?         ?        
1 1 1 4  38 5  o 624.3152 15.81109 3921.212   197.4221 3921.212   197.4221 ?          ?        624.3152 15.81109 ?        ?        ?         ?        
1 1 1 4  38 6  o 157.5625 5.760813 248.4796   18.15376 248.4796   18.15376 ?          ?        157.5625 5.760813 ?        ?        ?         ?        
1 1 1 4  38 7  o 496.1700 15.83565 2480.257   157.1435 2480.257   157.1435 ?          ?        496.1700 15.83565 ?        ?        ?         ?        
1 1 1 4  38 8  o 108.5247 7.318401 117.9994   15.88454 117.9994   15.88454 ?          ?        108.5247 7.318401 ?        ?        ?         ?        
1 1 1 4  38 9  o 251.9081 7.769510 635.9489   39.14404 635.9489   39.14404 ?          ?        251.9081 7.769510 ?        ?        ?         ?        
1 1 1 4  38 10 o 447.7653 11.21268 2016.202   100.4130 2016.202   100.4130 ?          ?        447.7653 11.21268 ?        ?        ?         ?        
1 1 1 4  38 11 o 296.1211 7.375780 879.8900   43.68248 879.8900   43.68248 ?          ?        296.1211 7.375780 ?        ?        ?         ?        
1 1 1 4  38 12 o 188.5798 6.167017 356.8348   23.25950 356.8348   23.25950 ?          ?        188.5798 6.167017 ?        ?        ?         ?        
1 1 1 4  38 13 o 188.4638 6.170815 356.8348   23.25950 356.8348   23.25950 ?          ?        188.4638 6.170815 ?        ?        ?         ?        
1 1 1 4  38 14 o 198.4869 6.287927 396.5462   24.96142 396.5462   24.96142 ?          ?        198.4869 6.287927 ?        ?        ?         ?        
1 1 1 4  38 15 o 116.2764 7.074455 136.7205   16.45185 136.7205   16.45185 ?          ?        116.2764 7.074455 ?        ?        ?         ?        
1 1 1 4  38 16 o 39.08789 14.59316 13.04801   15.31723 13.04801   15.31723 ?          ?        39.08789 14.59316 ?        ?        ?         ?        
1 1 1 4  38 17 o 36.16759 14.11554 9.644185   14.74993 9.644185   14.74993 ?          ?        36.16759 14.11554 ?        ?        ?         ?        
1 1 1 4  39 0  o 567.9680 16.31067 3243.282   184.9414 3243.282   184.9414 3243.282   184.9414 567.9680 16.31067 567.9680 16.31067 -0.000000 0.000000 
1 1 1 4  39 1  o 265.1200 6.098444 703.4582   32.33638 703.4582   32.33638 ?          ?        265.1200 6.098444 ?        ?        ?         ?        
1 1 1 4  39 2  o 71.38727 9.536238 51.05745   13.61532 51.05745   13.61532 ?          ?        71.38727 9.536238 ?        ?        ?         ?        
1 1 1 4  39 3  o 377.4936 7.889805 1426.772   59.56702 1426.772   59.56702 ?          ?        377.4936 7.889805 ?        ?        ?         ?        
1 1 1 4  39 4  o 740.9456 18.68186 5534.060   276.8448 5534.060   276.8448 ?          ?        740.9456 18.68186 ?        ?        ?         ?        
1 1 1 4  39 5  o 403.5020 9.138698 1631.569   73.74965 1631.569   73.74965 ?          ?        403.5020 9.138698 ?        ?        ?         ?        
1 1 1 4  39 6  o 481.7814 13.77693 2334.460   132.7494 2334.460   132.7494 ?          ?        481.7814 13.77693 ?        ?        ?         ?        
1 1 1 4  39 7  o 139.2007 6.520712 194.0183   18.15376 194.0183   18.15376 ?          ?        139.2007 6.520712 ?        ?        ?         ?        
1 1 1 4  39 8  o 384.0596 9.527471 1480.099   73.18234 1480.099   73.18234 ?          ?        384.0596 9.527471 ?        ?        ?         ?        
1 1 1 4  39 9  o 170.6367 6.150578 291.5948   20.99029 291.5948   20.99029 ?          ?        170.6367 6.150578 ?        ?        ?         ?        
1 1 1 4  39 10 o 278.6091 8.552057 778.9097   47.65361 778.9097   47.65361 ?          ?        278.6091 8.552057 ?        ?        ?         ?        
1 1 1 4  39 11 o 186.4679 6.997460 348.8925   26.09603 348.8925   26.09603 ?          ?        186.4679 6.997460 ?        ?        ?         ?        
1 1 1 4  39 12 o 257.4180 6.942059 665.4487   35.74022 665.4487   35.74022 ?          ?        257.4180 6.942059 ?        ?        ?         ?        
1 1 1 4  39 13 o 313.6989 7.866705 992.2164   49.35553 992.2164   49.35553 ?          ?        313.6989 7.866705 ?        ?        ?         ?        
1 1 1 4  39 14 o 210.4619 6.334480 445.9017   26.66333 445.9017   26.66333 ?          ?        210.4619 6.334480 ?        ?        ?         ?        
1 1 1 4  39 15 o 223.5748 6.597313 505.4687   29.49986 505.4687   29.49986 ?          ?        223.5748 6.597313 ?        ?        ?         ?        
1 1 1 4  39 16 o 59.09917 12.83840 38.00943   14.74993 38.00943   14.74993 ?          ?        59.09917 12.83840 ?        ?        ?         ?        
1 1 1 4  40 0  o 336.4212 10.47738 1136.312   70.34581 1136.312   70.34581 1136.312   70.34581 336.4212 10.47738 336.4212 10.47738 -0.000000 0.000000 
1 1 1 4  40 1  o 89.70280 7.589128 80.55730   13.61532 80.55730   13.61532 ?          ?        89.70280 7.589128 ?        ?        ?         ?        
1 1 1 4  40 2  o 1471.297 29.38130 22024.48   864.5728 22024.48   864.5728 ?          ?        1471.297 29.38130 ?        ?        ?         ?        
1 1 1 4  40 3  f 259.4847 6.449512 673.9583   33.47099 673.9583   33.47099 ?          ?        259.4847 6.449512 ?        ?        ?         ?        
1 1 1 4  40 4  o 197.4720 6.032959 390.3058   23.82681 390.3058   23.82681 ?          ?        197.4720 6.032959 ?        ?        ?         ?        
1 1 1 4  40 5  o 315.8835 7.991892 999.5914   50.49014 999.5914   50.49014 ?          ?        315.8835 7.991892 ?        ?        ?         ?        
1 1 1 4  40 6  o 102.3603 7.482022 104.9514   15.31723 104.9514   15.31723 ?          ?        102.3603 7.482022 ?        ?        ?         ?        
1 1 1 4  40 7  o 312.4481 9.441525 979.1684   58.99971 979.1684   58.99971 ?          ?        312.4481 9.441525 ?        ?        ?         ?        
1 1 1 4  40 8  o 513.7560 14.90711 2660.660   153.1723 2660.660   153.1723 ?          ?        513.7560 14.90711 ?        ?        ?         ?        
1 1 1 4  40 9  o 203.3195 6.277983 414.1326   25.52872 414.1326   25.52872 ?          ?        203.3195 6.277983 ?        ?        ?         ?        
1 1 1 4  40 10 o 318.6649 7.833125 1018.880   49.92284 1018.880   49.92284 ?          ?        318.6649 7.833125 ?        ?        ?         ?        
1 1 1 4  40 11 o 191.1829 6.231416 366.4790   23.82681 366.4790   23.82681 ?          ?        191.1829 6.231416 ?        ?        ?         ?        
1 1 1 4  40 12 o 327.1612 9.363725 1080.716   61.26894 1080.716   61.26894 ?          ?        327.1612 9.363725 ?        ?        ?         ?        
1 1 1 4  40 13 o 133.2265 6.813116 178.7011   18.15376 178.7011   18.15376 ?          ?        133.2265 6.813116 ?        ?        ?         ?        
1 1 1 4  40 14 o 274.0802 7.968924 759.6213   43.68248 759.6213   43.68248 ?          ?        274.0802 7.968924 ?        ?        ?         ?        
1 1 1 4  40 15 o 307.0890 8.405503 959.8799   51.62476 959.8799   51.62476 ?          ?        307.0890 8.405503 ?        ?        ?         ?        
1 1 1 4  40 16 o 157.7757 6.651938 252.4507   20.99029 252.4507   20.99029 ?          ?        157.7757 6.651938 ?        ?        ?         ?        
1 1 1 4  41 0  o 409.8926 12.13373 1687.165   99.27837 1687.165   99.27837 1687.165   99.27837 409.8926 12.13373 409.8926 12.13373 -0.000000 0.000000 
1 1 1 4  41 1  o 413.0469 9.270882 1709.290   76.58617 1709.290   76.58617 ?          ?        413.0469 9.270882 ?        ?        ?         ?        
1 1 1 4  41 2  o 969.5468 21.12297 9498.388   409.5942 9498.388   409.5942 ?          ?        969.5468 21.12297 ?        ?        ?         ?        
1 1 1 4  41 3  o 260.6680 6.529053 680.1987   34.03830 680.1987   34.03830 ?          ?        260.6680 6.529053 ?        ?        ?         ?        
1 1 1 4  41 4  o 348.0137 8.558144 1213.465   59.56702 1213.465   59.56702 ?          ?        348.0137 8.558144 ?        ?        ?         ?        
1 1 1 4  41 5  o 502.1033 12.76739 2533.584   128.2109 2533.584   128.2109 ?          ?        502.1033 12.76739 ?        ?        ?         ?        
1 1 1 4  41 6  o 617.5806 19.42823 3857.674   239.9700 3857.674   239.9700 ?          ?        617.5806 19.42823 ?        ?        ?         ?        
1 1 1 4  41 7  o 549.6380 17.39161 3055.504   191.1818 3055.504   191.1818 ?          ?        549.6380 17.39161 ?        ?        ?         ?        
1 1 1 4  41 8  o 691.6339 21.98240 4867.477   304.0754 4867.477   304.0754 ?          ?        691.6339 21.98240 ?        ?        ?         ?        
1 1 1 4  41 9  o 376.8386 8.882051 1425.070   66.94199 1425.070   66.94199 ?          ?        376.8386 8.882051 ?        ?        ?         ?        
1 1 1 4  41 10 o 223.9063 6.587543 502.6322   29.49986 502.6322   29.49986 ?          ?        223.9063 6.587543 ?        ?        ?         ?        
1 1 1 4  41 11 o 137.2080 6.615416 188.9126   18.15376 188.9126   18.15376 ?          ?        137.2080 6.615416 ?        ?        ?         ?        
1 1 1 4  41 12 o 258.0699 6.924524 669.9872   35.74022 669.9872   35.74022 ?          ?        258.0699 6.924524 ?        ?        ?         ?        
1 1 1 4  41 13 o 288.5729 8.453362 841.8805   48.78823 841.8805   48.78823 ?          ?        288.5729 8.453362 ?        ?        ?         ?        
1 1 1 4  41 14 o 212.8791 7.861502 458.9497   33.47099 458.9497   33.47099 ?          ?        212.8791 7.861502 ?        ?        ?         ?        
1 1 1 4  41 15 o 201.0012 6.491510 408.4596   26.09603 408.4596   26.09603 ?          ?        201.0012 6.491510 ?        ?        ?         ?        
1 1 1 4  41 16 o 191.0682 6.383615 369.8828   24.39412 369.8828   24.39412 ?          ?        191.0682 6.383615 ?        ?        ?         ?        
1 1 1 4  42 0  o 488.7254 15.41411 2402.537   150.3358 2402.537   150.3358 2402.537   150.3358 488.7254 15.41411 488.7254 15.41411 -0.000000 0.000000 
1 1 1 4  42 1  o 147.9021 6.520652 218.9797   19.28837 218.9797   19.28837 ?          ?        147.9021 6.520652 ?        ?        ?         ?        
1 1 1 4  42 2  o 251.0399 6.327496 630.8431   31.76908 630.8431   31.76908 ?          ?        251.0399 6.327496 ?        ?        ?         ?        
1 1 1 4  42 3  o 344.3345 8.567208 1187.937   58.99971 1187.937   58.99971 ?          ?        344.3345 8.567208 ?        ?        ?         ?        
1 1 1 4  42 4  f 575.1202 13.61247 3326.109   156.5762 3326.109   156.5762 ?          ?        575.1202 13.61247 ?        ?        ?         ?        
1 1 1 4  42 5  o 902.6276 25.07731 8299.672   452.7094 8299.672   452.7094 ?          ?        902.6276 25.07731 ?        ?        ?         ?        
1 1 1 4  42 6  o 207.6458 6.147181 431.7191   25.52872 431.7191   25.52872 ?          ?        207.6458 6.147181 ?        ?        ?         ?        
1 1 1 4  42 7  o 70.52549 10.05496 49.92284   14.18262 49.92284   14.18262 ?          ?        70.52549 10.05496 ?        ?        ?         ?        
1 1 1 4  42 8  o 304.4571 8.664498 929.8129   52.75936 929.8129   52.75936 ?          ?        304.4571 8.664498 ?        ?        ?         ?        
1 1 1 4  42 9  o 127.4628 6.676126 162.8165   17.01915 162.8165   17.01915 ?          ?        127.4628 6.676126 ?        ?        ?         ?        
1 1 1 4  42 10 o 91.66389 9.283454 84.52843   17.01915 84.52843   17.01915 ?          ?        91.66389 9.283454 ?        ?        ?         ?        
1 1 1 4  42 11 f 65.85975 12.51149 45.38440   15.88454 45.38440   15.88454 ?          ?        65.85975 12.51149 ?        ?        ?         ?        
1 1 1 4  42 12 o 38.20470 14.70212 10.21149   15.88454 10.21149   15.88454 ?          ?        38.20470 14.70212 ?        ?        ?         ?        
1 1 1 4  42 13 o 221.2236 6.667431 492.9881   29.49986 492.9881   29.49986 ?          ?        221.2236 6.667431 ?        ?        ?         ?        
1 1 1 4  42 14 o 150.2736 6.606506 228.0566   19.85567 228.0566   19.85567 ?          ?        150.2736 6.606506 ?        ?        ?         ?        
1 1 1 4  42 15 o 156.3093 8.347559 249.0469   26.09603 249.0469   26.09603 ?          ?        156.3093 8.347559 ?        ?        ?         ?        
1 1 1 4  42 16 o 112.1030 7.590855 128.2109   17.01915 128.2109   17.01915 ?          ?        112.1030 7.590855 ?        ?        ?         ?        
1 1 1 4  43 0  o 643.6373 23.11385 4186.710   296.7005 4186.710   296.7005 4186.710   296.7005 643.6373 23.11385 643.6373 23.11385 -0.000000 0.000000 
1 1 1 4  43 1  o 149.0586 5.899173 222.3835   17.58645 222.3835   17.58645 ?          ?        149.0586 5.899173 ?        ?        ?         ?        
1 1 1 4  43 2  o 593.4550 13.09632 3538.281   155.4416 3538.281   155.4416 ?          ?        593.4550 13.09632 ?        ?        ?         ?        
1 1 1 4  43 3  o 165.0885 6.357283 272.8737   20.99029 272.8737   20.99029 ?          ?        165.0885 6.357283 ?        ?        ?         ?        
1 1 1 4  43 4  o 170.9972 6.137609 292.7294   20.99029 292.7294   20.99029 ?          ?        170.9972 6.137609 ?        ?        ?         ?        
1 1 1 4  43 5  o 481.5995 12.36858 2330.489   119.1340 2330.489   119.1340 ?          ?        481.5995 12.36858 ?        ?        ?         ?        
1 1 1 4  43 6  o 174.8428 7.462713 306.3447   26.09603 306.3447   26.09603 ?          ?        174.8428 7.462713 ?        ?        ?         ?        
1 1 1 4  43 7  o 167.8023 6.085429 281.9506   20.42298 281.9506   20.42298 ?          ?        167.8023 6.085429 ?        ?        ?         ?        
1 1 1 4  43 8  o 289.7857 7.341266 841.8805   42.54787 841.8805   42.54787 ?          ?        289.7857 7.341266 ?        ?        ?         ?        
1 1 1 4  43 9  o 303.7943 8.963511 926.9763   54.46128 926.9763   54.46128 ?          ?        303.7943 8.963511 ?        ?        ?         ?        
1 1 1 4  43 10 o 393.4612 9.299816 1557.252   73.18234 1557.252   73.18234 ?          ?        393.4612 9.299816 ?        ?        ?         ?        
1 1 1 4  43 11 o 170.1004 6.336724 290.4601   21.55759 290.4601   21.55759 ?          ?        170.1004 6.336724 ?        ?        ?         ?        
1 1 1 4  43 12 o 231.8595 6.973272 541.2089   32.33638 541.2089   32.33638 ?          ?        231.8595 6.973272 ?        ?        ?         ?        
1 1 1 4  43 13 o 30.80319 13.25032 -0.5673050 14.74993 -0.5673050 14.74993 ?          ?        30.80319 13.25032 ?        ?        ?         ?        
1 1 1 4  43 14 o 227.5982 6.729945 523.6225   30.63447 523.6225   30.63447 ?          ?        227.5982 6.729945 ?        ?        ?         ?        
1 1 1 4  43 15 o 59.81971 12.27651 38.57674   14.18262 38.57674   14.18262 ?          ?        59.81971 12.27651 ?        ?        ?         ?        
1 1 1 4  43 16 o 60.92897 16.39651 41.98057   20.42298 41.98057   20.42298 ?          ?        60.92897 16.39651 ?        ?        ?         ?        
1 1 1 4  44 0  o 723.6154 26.10254 5308.273   376.6905 5308.273   376.6905 5308.273   376.6905 723.6154 26.10254 723.6154 26.10254 -0.000000 0.000000 
1 1 1 4  44 1  o 205.0450 6.363487 420.9402   26.09603 420.9402   26.09603 ?          ?        205.0450 6.363487 ?        ?        ?         ?        
1 1 1 4  44 2  o 178.1343 6.210172 317.6908   22.12490 317.6908   22.12490 ?          ?        178.1343 6.210172 ?        ?        ?         ?        
1 1 1 4  44 3  o 319.3714 7.549349 1021.716   48.22092 1021.716   48.22092 ?          ?        319.3714 7.549349 ?        ?        ?         ?        
1 1 1 4  44 4  o 270.6454 6.812387 733.5253   36.87482 733.5253   36.87482 ?          ?        270.6454 6.812387 ?        ?        ?         ?        
1 1 1 4  44 5  f 237.1755 6.338589 563.3339   30.06716 563.3339   30.06716 ?          ?        237.1755 6.338589 ?        ?        ?         ?        
1 1 1 4  44 6  o 600.7758 16.85553 3646.636   202.5279 3646.636   202.5279 ?          ?        600.7758 16.85553 ?        ?        ?         ?        
1 1 1 4  44 7  o 274.1187 6.829547 752.8137   37.44213 752.8137   37.44213 ?          ?        274.1187 6.829547 ?        ?        ?         ?        
1 1 1 4  44 8  o 395.1639 9.259745 1567.464   73.18234 1567.464   73.18234 ?          ?        395.1639 9.259745 ?        ?        ?         ?        
1 1 1 4  44 9  o 72.79195 10.13157 53.32666   14.74993 53.32666   14.74993 ?          ?        72.79195 10.13157 ?        ?        ?         ?        
1 1 1 4  44 10 o 176.7941 6.899021 313.7196   24.39412 313.7196   24.39412 ?          ?        176.7941 6.899021 ?        ?        ?         ?        
1 1 1 4  44 11 o 150.2089 6.798191 226.9220   20.42298 226.9220   20.42298 ?          ?        150.2089 6.798191 ?        ?        ?         ?        
1 1 1 4  44 12 o 291.9343 7.578722 859.4670   44.24979 859.4670   44.24979 ?          ?        291.9343 7.578722 ?        ?        ?         ?        
1 1 1 4  44 13 o 153.2714 6.292227 236.5662   19.28837 236.5662   19.28837 ?          ?        153.2714 6.292227 ?        ?        ?         ?        
1 1 1 4  44 14 o 76.91970 9.956640 60.70163   15.31723 60.70163   15.31723 ?          ?        76.91970 9.956640 ?        ?        ?         ?        
1 1 1 4  44 15 o 47.53883 14.66015 24.39412   15.31723 24.39412   15.31723 ?          ?        47.53883 14.66015 ?        ?        ?         ?        
1 1 1 4  45 0  o 447.4765 14.23086 2014.500   127.0763 2014.500   127.0763 2014.500   127.0763 447.4765 14.23086 447.4765 14.23086 -0.000000 0.000000 
1 1 1 4  45 1  o 224.9392 6.431194 506.6033   28.93255 506.6033   28.93255 ?          ?        224.9392 6.431194 ?        ?        ?         ?        
1 1 1 4  45 2  o 314.8808 7.927261 993.3511   49.92284 993.3511   49.92284 ?          ?        314.8808 7.927261 ?        ?        ?         ?        
1 1 1 4  45 3  f 228.8123 6.322333 524.1898   28.93255 524.1898   28.93255 ?          ?        228.8123 6.322333 ?        ?        ?         ?        
1 1 1 4  45 4  o 505.6701 12.06029 2569.891   121.9706 2569.891   121.9706 ?          ?        505.6701 12.06029 ?        ?        ?         ?        
1 1 1 4  45 5  o 63.52612 12.50120 41.98057   15.31723 41.98057   15.31723 ?          ?        63.52612 12.50120 ?        ?        ?         ?        
1 1 1 4  45 6  o 122.0406 6.972744 149.2012   17.01915 149.2012   17.01915 ?          ?        122.0406 6.972744 ?        ?        ?         ?        
1 1 1 4  45 7  o 172.5767 6.410163 298.4024   22.12490 298.4024   22.12490 ?          ?        172.5767 6.410163 ?        ?        ?         ?        
1 1 1 4  45 8  o 662.6626 15.66662 4449.373   207.6336 4449.373   207.6336 ?          ?        662.6626 15.66662 ?        ?        ?         ?        
1 1 1 4  45 9  f 228.2349 6.586889 522.4879   30.06716 522.4879   30.06716 ?          ?        228.2349 6.586889 ?        ?        ?         ?        
1 1 1 4  45 10 o 172.2611 6.421906 297.8351   22.12490 297.8351   22.12490 ?          ?        172.2611 6.421906 ?        ?        ?         ?        
1 1 1 4  45 11 o 240.4549 6.841966 581.4876   32.90369 581.4876   32.90369 ?          ?        240.4549 6.841966 ?        ?        ?         ?        
1 1 1 4  45 12 o 290.7279 7.415039 852.6594   43.11518 852.6594   43.11518 ?          ?        290.7279 7.415039 ?        ?        ?         ?        
1 1 1 4  45 13 o 108.3196 7.070392 118.5667   15.31723 118.5667   15.31723 ?          ?        108.3196 7.070392 ?        ?        ?         ?        
1 1 1 4  45 14 o 202.8523 6.851769 416.4019   27.79794 416.4019   27.79794 ?          ?        202.8523 6.851769 ?        ?        ?         ?        
1 1 1 4  45 15 o 111.8854 7.859140 127.6436   17.58645 127.6436   17.58645 ?          ?        111.8854 7.859140 ?        ?        ?         ?        
1 1 1 4  46 0  o 330.9788 11.60082 1101.706   76.58617 1101.706   76.58617 1101.706   76.58617 330.9788 11.60082 330.9788 11.60082 -0.000000 0.000000 
1 1 1 4  46 1  o 311.6353 7.736757 972.9280   48.22092 972.9280   48.22092 ?          ?        311.6353 7.736757 ?        ?        ?         ?        
1 1 1 4  46 2  o 809.2492 17.70091 6613.642   286.4890 6613.642   286.4890 ?          ?        809.2492 17.70091 ?        ?        ?         ?        
1 1 1 4  46 3  o 184.5144 6.456625 340.9503   23.82681 340.9503   23.82681 ?          ?        184.5144 6.456625 ?        ?        ?         ?        
1 1 1 4  46 4  o 508.5290 12.15983 2600.526   123.6725 2600.526   123.6725 ?          ?        508.5290 12.15983 ?        ?        ?         ?        
1 1 1 4  46 5  o 179.6886 6.472168 323.3638   23.25950 323.3638   23.25950 ?          ?        179.6886 6.472168 ?        ?        ?         ?        
1 1 1 4  46 6  o 404.0934 9.406101 1638.944   76.01886 1638.944   76.01886 ?          ?        404.0934 9.406101 ?        ?        ?         ?        
1 1 1 4  46 7  o 89.56432 9.817779 80.55730   17.58645 80.55730   17.58645 ?          ?        89.56432 9.817779 ?        ?        ?         ?        
1 1 1 4  46 8  o 99.69879 8.819793 99.84568   17.58645 99.84568   17.58645 ?          ?        99.69879 8.819793 ?        ?        ?         ?        
1 1 1 4  46 9  o 224.4915 6.570374 505.4687   29.49986 505.4687   29.49986 ?          ?        224.4915 6.570374 ?        ?        ?         ?        
1 1 1 4  46 10 o 105.6689 7.784621 112.3264   16.45185 112.3264   16.45185 ?          ?        105.6689 7.784621 ?        ?        ?         ?        
1 1 1 4  46 11 o 248.1532 7.658462 620.6317   38.00943 620.6317   38.00943 ?          ?        248.1532 7.658462 ?        ?        ?         ?        
1 1 1 4  46 12 o 79.45736 9.638650 64.10546   15.31723 64.10546   15.31723 ?          ?        79.45736 9.638650 ?        ?        ?         ?        
1 1 1 4  46 13 o 93.14437 9.440428 88.49958   17.58645 88.49958   17.58645 ?          ?        93.14437 9.440428 ?        ?        ?         ?        
1 1 1 4  46 14 o 254.0140 7.035087 654.1026   35.74022 654.1026   35.74022 ?          ?        254.0140 7.035087 ?        ?        ?         ?        
1 1 1 4  46 15 f 34.74725 13.93961 7.374964   14.74993 7.374964   14.74993 ?          ?        34.74725 13.93961 ?        ?        ?         ?        
1 1 1 4  47 0  o 720.7490 22.32219 5253.244   321.0946 5253.244   321.0946 5253.244   321.0946 720.7490 22.32219 720.7490 22.32219 -0.000000 0.000000 
1 1 1 4  47 1  o 385.2893 8.981720 1488.608   69.21120 1488.608   69.21120 ?          ?        385.2893 8.981720 ?        ?        ?         ?        
1 1 1 4  47 2  f 761.5427 16.68670 5858.559   254.1526 5858.559   254.1526 ?          ?        761.5427 16.68670 ?        ?        ?         ?        
1 1 1 4  47 3  o 464.0747 10.45189 2162.567   97.00916 2162.567   97.00916 ?          ?        464.0747 10.45189 ?        ?        ?         ?        
1 1 1 4  47 4  o 174.8813 6.812279 306.3447   23.82681 306.3447   23.82681 ?          ?        174.8813 6.812279 ?        ?        ?         ?        
1 1 1 4  47 5  o 267.9478 7.092695 719.3427   38.00943 719.3427   38.00943 ?          ?        267.9478 7.092695 ?        ?        ?         ?        
1 1 1 4  47 6  o 343.5720 8.668782 1184.533   59.56702 1184.533   59.56702 ?          ?        343.5720 8.668782 ?        ?        ?         ?        
1 1 1 4  47 7  f 201.7264 6.608787 407.8922   26.66333 407.8922   26.66333 ?          ?        201.7264 6.608787 ?        ?        ?         ?        
1 1 1 4  47 8  f 482.0679 11.00323 2343.537   106.0860 2343.537   106.0860 ?          ?        482.0679 11.00323 ?        ?        ?         ?        
1 1 1 4  47 9  o 172.9277 6.397152 300.1043   22.12490 300.1043   22.12490 ?          ?        172.9277 6.397152 ?        ?        ?         ?        
1 1 1 4  47 10 o 207.6306 6.557472 433.4210   27.23064 433.4210   27.23064 ?          ?        207.6306 6.557472 ?        ?        ?         ?        
1 1 1 4  47 11 o 143.9860 6.895001 208.7682   19.85567 208.7682   19.85567 ?          ?        143.9860 6.895001 ?        ?        ?         ?        
1 1 1 4  47 12 o 139.6709 7.311105 196.8548   20.42298 196.8548   20.42298 ?          ?        139.6709 7.311105 ?        ?        ?         ?        
1 1 1 4  47 13 f 133.9556 6.776036 181.5376   18.15376 181.5376   18.15376 ?          ?        133.9556 6.776036 ?        ?        ?         ?        
1 1 1 4  47 14 o 147.7775 6.718095 221.2489   19.85567 221.2489   19.85567 ?          ?        147.7775 6.718095 ?        ?        ?         ?        
1 1 1 4  47 15 o 132.4606 7.280796 178.7011   19.28837 178.7011   19.28837 ?          ?        132.4606 7.280796 ?        ?        ?         ?        
1 1 1 4  48 0  o 149.6670 10.91899 228.0566   32.33638 228.0566   32.33638 228.0566   32.33638 149.6670 10.91899 149.6670 10.91899 -0.000000 0.000000 
1 1 1 4  48 1  o 249.0181 6.834502 621.1990   34.03830 621.1990   34.03830 ?          ?        249.0181 6.834502 ?        ?        ?         ?        
1 1 1 4  48 2  o 499.4614 12.03984 2508.055   120.2687 2508.055   120.2687 ?          ?        499.4614 12.03984 ?        ?        ?         ?        
1 1 1 4  48 3  o 194.2270 6.571879 377.8251   25.52872 377.8251   25.52872 ?          ?        194.2270 6.571879 ?        ?        ?         ?        
1 1 1 4  48 4  o 553.1754 12.20396 3077.062   135.0186 3077.062   135.0186 ?          ?        553.1754 12.20396 ?        ?        ?         ?        
1 1 1 4  48 5  o 151.4001 7.119412 229.7585   21.55759 229.7585   21.55759 ?          ?        151.4001 7.119412 ?        ?        ?         ?        
1 1 1 4  48 6  o 256.4644 6.967869 659.2084   35.74022 659.2084   35.74022 ?          ?        256.4644 6.967869 ?        ?        ?         ?        
1 1 1 4  48 7  o 209.1422 6.645706 438.5268   27.79794 438.5268   27.79794 ?          ?        209.1422 6.645706 ?        ?        ?         ?        
1 1 1 4  48 8  o 152.8217 6.867573 234.2970   20.99029 234.2970   20.99029 ?          ?        152.8217 6.867573 ?        ?        ?         ?        
1 1 1 4  48 9  o 160.3266 6.899944 258.1238   22.12490 258.1238   22.12490 ?          ?        160.3266 6.899944 ?        ?        ?         ?        
1 1 1 4  48 10 o 607.8224 13.90677 3781.655   169.0569 3781.655   169.0569 ?          ?        607.8224 13.90677 ?        ?        ?         ?        
1 1 1 4  48 11 o 154.5276 6.791759 240.5373   20.99029 240.5373   20.99029 ?          ?        154.5276 6.791759 ?        ?        ?         ?        
1 1 1 4  48 12 o 143.8556 6.704073 208.7682   19.28837 208.7682   19.28837 ?          ?        143.8556 6.704073 ?        ?        ?         ?        
1 1 1 4  48 13 o 77.79540 15.12423 65.80738   22.69220 65.80738   22.69220 ?          ?        77.79540 15.12423 ?        ?        ?         ?        
1 1 1 4  48 14 o 309.4409 9.258278 983.7067   57.29780 983.7067   57.29780 ?          ?        309.4409 9.258278 ?        ?        ?         ?        
1 1 1 4  49 0  f 471.6576 15.25031 2240.854   143.5282 2240.854   143.5282 2240.854   143.5282 471.6576 15.25031 471.6576 15.25031 -0.000000 0.000000 
1 1 1 4  49 1  o 362.9230 8.675511 1320.686   62.97085 1320.686   62.97085 ?          ?        362.9230 8.675511 ?        ?        ?         ?        
1 1 1 4  49 2  o 381.3734 8.850812 1458.541   67.50929 1458.541   67.50929 ?          ?        381.3734 8.850812 ?        ?        ?         ?        
1 1 1 4  49 3  o 140.1309 8.096785 196.8548   22.69220 196.8548   22.69220 ?          ?        140.1309 8.096785 ?        ?        ?         ?        
1 1 1 4  49 4  o 344.7012 8.311228 1191.908   57.29780 1191.908   57.29780 ?          ?        344.7012 8.311228 ?        ?        ?         ?        
1 1 1 4  49 5  o 186.7724 6.378569 349.4599   23.82681 349.4599   23.82681 ?          ?        186.7724 6.378569 ?        ?        ?         ?        
1 1 1 4  49 6  o 734.1751 20.82455 5518.175   305.7773 5518.175   305.7773 ?          ?        734.1751 20.82455 ?        ?        ?         ?        
1 1 1 4  49 7  o 106.2124 9.080096 113.4610   19.28837 113.4610   19.28837 ?          ?        106.2124 9.080096 ?        ?        ?         ?        
1 1 1 4  49 8  o 234.4844 6.895210 551.9877   32.33638 551.9877   32.33638 ?          ?        234.4844 6.895210 ?        ?        ?         ?        
1 1 1 4  49 9  o 176.7855 6.899354 314.2870   24.39412 314.2870   24.39412 ?          ?        176.7855 6.899354 ?        ?        ?         ?        
1 1 1 4  49 10 o 173.0419 6.556850 301.2389   22.69220 301.2389   22.69220 ?          ?        173.0419 6.556850 ?        ?        ?         ?        
1 1 1 4  49 11 o 137.8832 7.200177 191.7491   19.85567 191.7491   19.85567 ?          ?        137.8832 7.200177 ?        ?        ?         ?        
1 1 1 4  49 12 o 307.7212 7.927344 960.4473   48.78823 960.4473   48.78823 ?          ?        307.7212 7.927344 ?        ?        ?         ?        
1 1 1 4  49 13 o 99.57909 9.400098 101.5476   18.72106 101.5476   18.72106 ?          ?        99.57909 9.400098 ?        ?        ?         ?        
1 1 1 4  49 14 o 38.38934 16.12840 5.105744   20.99029 5.105744   20.99029 ?          ?        38.38934 16.12840 ?        ?        ?         ?        
1 1 1 4  50 0  o 202.4914 9.713333 413.5653   39.14404 413.5653   39.14404 413.5653   39.14404 202.4914 9.713333 202.4914 9.713333 -0.000000 0.000000 
1 1 1 4  50 1  o 442.4509 10.06517 1965.144   89.06688 1965.144   89.06688 ?          ?        442.4509 10.06517 ?        ?        ?         ?        
1 1 1 4  50 2  o 36.19395 15.46453 -0.5673050 19.85567 -0.5673050 19.85567 ?          ?        36.19395 15.46453 ?        ?        ?         ?        
1 1 1 4  50 3  o 185.5177 6.880400 344.9214   25.52872 344.9214   25.52872 ?          ?        185.5177 6.880400 ?        ?        ?         ?        
1 1 1 4  50 4  f 598.7838 13.26400 3613.165   158.8454 3613.165   158.8454 ?          ?        598.7838 13.26400 ?        ?        ?         ?        
1 1 1 4  50 5  o 574.6371 13.82137 3335.753   158.8454 3335.753   158.8454 ?          ?        574.6371 13.82137 ?        ?        ?         ?        
1 1 1 4  50 6  o 548.4861 13.23917 3041.889   145.2301 3041.889   145.2301 ?          ?        548.4861 13.23917 ?        ?        ?         ?        
1 1 1 4  50 7  o 72.68452 11.70755 53.32666   17.01915 53.32666   17.01915 ?          ?        72.68452 11.70755 ?        ?        ?         ?        
1 1 1 4  50 8  o 185.7759 7.023522 346.6233   26.09603 346.6233   26.09603 ?          ?        185.7759 7.023522 ?        ?        ?         ?        
1 1 1 4  50 9  o 122.1719 7.661768 150.3358   18.72106 150.3358   18.72106 ?          ?        122.1719 7.661768 ?        ?        ?         ?        
1 1 1 4  50 10 o 225.2157 6.675193 510.5745   30.06716 510.5745   30.06716 ?          ?        225.2157 6.675193 ?        ?        ?         ?        
1 1 1 4  50 11 o 158.9757 6.780154 254.7199   21.55759 254.7199   21.55759 ?          ?        158.9757 6.780154 ?        ?        ?         ?        
1 1 1 4  50 12 o 165.1473 6.698532 275.7102   22.12490 275.7102   22.12490 ?          ?        165.1473 6.698532 ?        ?        ?         ?        
1 1 1 4  50 13 o 40.55839 15.12759 14.18262   16.45185 14.18262   16.45185 ?          ?        40.55839 15.12759 ?        ?        ?         ?        
1 1 1 4  50 14 o 161.6141 7.722538 266.6333   24.96142 266.6333   24.96142 ?          ?        161.6141 7.722538 ?        ?        ?         ?        
1 1 1 4  51 0  o 31.02535 20.07390 1.134610   28.36525 1.134610   28.36525 1.134610   28.36525 31.02535 20.07390 31.02535 20.07390 -0.000000 0.000000 
1 1 1 4  51 1  o 145.8658 7.389529 213.3067   21.55759 213.3067   21.55759 ?          ?        145.8658 7.389529 ?        ?        ?         ?        
1 1 1 4  51 2  o 458.6399 10.51390 2114.346   96.44185 2114.346   96.44185 ?          ?        458.6399 10.51390 ?        ?        ?         ?        
1 1 1 4  51 3  o 323.5998 7.976636 1050.082   51.62476 1050.082   51.62476 ?          ?        323.5998 7.976636 ?        ?        ?         ?        
1 1 1 4  51 4  o 268.0432 7.301817 720.4773   39.14404 720.4773   39.14404 ?          ?        268.0432 7.301817 ?        ?        ?         ?        
1 1 1 4  51 5  o 303.7885 8.123337 926.4091   49.35553 926.4091   49.35553 ?          ?        303.7885 8.123337 ?        ?        ?         ?        
1 1 1 4  51 6  o 380.1519 9.103099 1453.435   69.21120 1453.435   69.21120 ?          ?        380.1519 9.103099 ?        ?        ?         ?        
1 1 1 4  51 7  o 246.3152 7.024660 609.2856   34.60560 609.2856   34.60560 ?          ?        246.3152 7.024660 ?        ?        ?         ?        
1 1 1 4  51 8  o 397.6409 9.344731 1596.963   74.31695 1596.963   74.31695 ?          ?        397.6409 9.344731 ?        ?        ?         ?        
1 1 1 4  51 9  o 106.2775 8.540733 114.0283   18.15376 114.0283   18.15376 ?          ?        106.2775 8.540733 ?        ?        ?         ?        
1 1 1 4  51 10 o 123.7599 8.251046 154.8743   20.42298 154.8743   20.42298 ?          ?        123.7599 8.251046 ?        ?        ?         ?        
1 1 1 4  51 11 o 117.8206 8.185484 140.6916   19.28837 140.6916   19.28837 ?          ?        117.8206 8.185484 ?        ?        ?         ?        
1 1 1 4  51 12 o 98.64844 8.913701 99.27837   17.58645 99.27837   17.58645 ?          ?        98.64844 8.913701 ?        ?        ?         ?        
1 1 1 4  51 13 o 106.4498 8.260447 115.7302   17.58645 115.7302   17.58645 ?          ?        106.4498 8.260447 ?        ?        ?         ?        
1 1 1 4  51 14 o 293.8249 7.723035 881.0246   45.38440 881.0246   45.38440 ?          ?        293.8249 7.723035 ?        ?        ?         ?        
1 1 1 4  52 0  o 778.3257 24.36060 6154.125   378.3924 6154.125   378.3924 6154.125   378.3924 778.3257 24.36060 778.3257 24.36060 -0.000000 0.000000 
1 1 1 4  52 1  o 173.2022 7.205860 300.6716   24.96142 300.6716   24.96142 ?          ?        173.2022 7.205860 ?        ?        ?         ?        
1 1 1 4  52 2  o 136.7918 8.709148 187.7779   23.82681 187.7779   23.82681 ?          ?        136.7918 8.709148 ?        ?        ?         ?        
1 1 1 4  52 3  o 401.0873 9.335156 1616.252   74.88425 1616.252   74.88425 ?          ?        401.0873 9.335156 ?        ?        ?         ?        
1 1 1 4  52 4  o 543.3778 14.14666 2986.293   153.7396 2986.293   153.7396 ?          ?        543.3778 14.14666 ?        ?        ?         ?        
1 1 1 4  52 5  o 238.7688 7.603069 572.4106   36.30752 572.4106   36.30752 ?          ?        238.7688 7.603069 ?        ?        ?         ?        
1 1 1 4  52 6  o 403.8228 9.412402 1641.213   76.01886 1641.213   76.01886 ?          ?        403.8228 9.412402 ?        ?        ?         ?        
1 1 1 4  52 7  o 211.1294 6.851852 447.6036   28.93255 447.6036   28.93255 ?          ?        211.1294 6.851852 ?        ?        ?         ?        
1 1 1 4  52 8  o 89.15050 10.49970 80.55730   18.72106 80.55730   18.72106 ?          ?        89.15050 10.49970 ?        ?        ?         ?        
1 1 1 4  52 9  o 176.6638 6.904109 314.2870   24.39412 314.2870   24.39412 ?          ?        176.6638 6.904109 ?        ?        ?         ?        
1 1 1 4  52 10 o 139.7813 7.914113 197.4221   22.12490 197.4221   22.12490 ?          ?        139.7813 7.914113 ?        ?        ?         ?        
1 1 1 4  52 11 o 78.17320 11.61124 62.97085   18.15376 62.97085   18.15376 ?          ?        78.17320 11.61124 ?        ?        ?         ?        
1 1 1 4  52 12 o 156.4539 6.889439 247.9123   21.55759 247.9123   21.55759 ?          ?        156.4539 6.889439 ?        ?        ?         ?        
1 1 1 4  52 13 o 199.0772 6.839215 402.2192   27.23064 402.2192   27.23064 ?          ?        199.0772 6.839215 ?        ?        ?         ?        
1 1 1 4  53 0  o 184.5711 9.739250 344.3541   35.74022 344.3541   35.74022 344.3541   35.74022 184.5711 9.739250 184.5711 9.739250 -0.000000 0.000000 
1 1 1 4  53 1  o 53.33405 17.50419 27.79794   21.55759 27.79794   21.55759 ?          ?        53.33405 17.50419 ?        ?        ?         ?        
1 1 1 4  53 2  o 78.43118 14.27055 64.10546   21.55759 64.10546   21.55759 ?          ?        78.43118 14.27055 ?        ?        ?         ?        
1 1 1 4  53 3  o 111.9320 9.376355 125.9417   20.99029 125.9417   20.99029 ?          ?        111.9320 9.376355 ?        ?        ?         ?        
1 1 1 4  53 4  o 231.7448 8.078308 539.5070   37.44213 539.5070   37.44213 ?          ?        231.7448 8.078308 ?        ?        ?         ?        
1 1 1 4  53 5  o 134.0077 10.58344 180.9703   28.36525 180.9703   28.36525 ?          ?        134.0077 10.58344 ?        ?        ?         ?        
1 1 1 4  53 6  o 544.9849 12.23123 3010.120   133.3167 3010.120   133.3167 ?          ?        544.9849 12.23123 ?        ?        ?         ?        
1 1 1 4  53 7  o 134.6620 7.793690 182.6722   20.99029 182.6722   20.99029 ?          ?        134.6620 7.793690 ?        ?        ?         ?        
1 1 1 4  53 8  f 199.0463 7.125289 398.8154   28.36525 398.8154   28.36525 ?          ?        199.0463 7.125289 ?        ?        ?         ?        
1 1 1 4  53 9  o 166.4163 6.988347 279.1140   23.25950 279.1140   23.25950 ?          ?        166.4163 6.988347 ?        ?        ?         ?        
1 1 1 4  53 10 o 262.3354 7.352560 694.9486   38.57674 694.9486   38.57674 ?          ?        262.3354 7.352560 ?        ?        ?         ?        
1 1 1 4  53 11 o 135.9368 7.929268 187.7779   21.55759 187.7779   21.55759 ?          ?        135.9368 7.929268 ?        ?        ?         ?        
1 1 1 4  53 12 o 199.0712 6.981911 401.6519   27.79794 401.6519   27.79794 ?          ?        199.0712 6.981911 ?        ?        ?         ?        
1 1 1 4  53 13 o 92.47044 10.12273 88.49958   18.72106 88.49958   18.72106 ?          ?        92.47044 10.12273 ?        ?        ?         ?        
1 1 1 4  54 0  o 71.48203 24.37789 66.94199   31.20177 66.94199   31.20177 66.94199   31.20177 71.48203 24.37789 71.48203 24.37789 -0.000000 0.000000 
1 1 1 4  54 1  o 207.9950 7.227858 433.9883   30.06716 433.9883   30.06716 ?          ?        207.9950 7.227858 ?        ?        ?         ?        
1 1 1 4  54 2  o 625.1410 15.06422 3967.163   188.3452 3967.163   188.3452 ?          ?        625.1410 15.06422 ?        ?        ?         ?        
1 1 1 4  54 3  o 158.2018 7.709808 251.3161   24.39412 251.3161   24.39412 ?          ?        158.2018 7.709808 ?        ?        ?         ?        
1 1 1 4  54 4  o 314.7641 7.930198 995.0529   49.92284 995.0529   49.92284 ?          ?        314.7641 7.930198 ?        ?        ?         ?        
1 1 1 4  54 5  o 199.3781 7.255702 399.3827   28.93255 399.3827   28.93255 ?          ?        199.3781 7.255702 ?        ?        ?         ?        
1 1 1 4  54 6  o 106.5277 9.852030 114.5956   20.99029 114.5956   20.99029 ?          ?        106.5277 9.852030 ?        ?        ?         ?        
1 1 1 4  54 7  o 217.2969 6.787915 474.8342   29.49986 474.8342   29.49986 ?          ?        217.2969 6.787915 ?        ?        ?         ?        
1 1 1 4  54 8  o 357.5650 8.567525 1292.321   61.26894 1292.321   61.26894 ?          ?        357.5650 8.567525 ?        ?        ?         ?        
1 1 1 4  54 9  o 66.68710 12.79139 47.08631   16.45185 47.08631   16.45185 ?          ?        66.68710 12.79139 ?        ?        ?         ?        
1 1 1 4  54 10 o 246.0723 7.262136 612.6893   35.74022 612.6893   35.74022 ?          ?        246.0723 7.262136 ?        ?        ?         ?        
1 1 1 4  54 11 o 45.89343 16.47410 19.85567   19.28837 19.85567   19.28837 ?          ?        45.89343 16.47410 ?        ?        ?         ?        
1 1 1 4  54 12 o 136.0425 7.506104 188.3452   20.42298 188.3452   20.42298 ?          ?        136.0425 7.506104 ?        ?        ?         ?        
1 1 1 4  54 13 o 181.0666 6.736228 333.0080   24.39412 333.0080   24.39412 ?          ?        181.0666 6.736228 ?        ?        ?         ?        
1 1 1 4  55 0  o 290.9551 11.05109 853.7939   64.10546 853.7939   64.10546 853.7939   64.10546 290.9551 11.05109 290.9551 11.05109 -0.000000 0.000000 
1 1 1 4  55 1  o 281.1153 7.870399 793.6596   44.24979 793.6596   44.24979 ?          ?        281.1153 7.870399 ?        ?        ?         ?        
1 1 1 4  55 2  o 161.5643 7.724919 262.0949   24.96142 262.0949   24.96142 ?          ?        161.5643 7.724919 ?        ?        ?         ?        
1 1 1 4  55 3  o 289.5554 7.640989 841.8805   44.24979 841.8805   44.24979 ?          ?        289.5554 7.640989 ?        ?        ?         ?        
1 1 1 4  55 4  o 70.91082 15.62151 53.32666   21.55759 53.32666   21.55759 ?          ?        70.91082 15.62151 ?        ?        ?         ?        
1 1 1 4  55 5  o 142.6920 7.951461 204.7971   22.69220 204.7971   22.69220 ?          ?        142.6920 7.951461 ?        ?        ?         ?        
1 1 1 4  55 6  o 520.0201 11.83658 2751.429   123.1052 2751.429   123.1052 ?          ?        520.0201 11.83658 ?        ?        ?         ?        
1 1 1 4  55 7  o 191.0355 7.275598 367.6136   27.79794 367.6136   27.79794 ?          ?        191.0355 7.275598 ?        ?        ?         ?        
1 1 1 4  55 8  o 159.3363 6.942828 255.8545   22.12490 255.8545   22.12490 ?          ?        159.3363 6.942828 ?        ?        ?         ?        
1 1 1 4  55 9  o 261.7213 7.369813 691.5447   38.57674 691.5447   38.57674 ?          ?        261.7213 7.369813 ?        ?        ?         ?        
1 1 1 4  55 10 o 300.9322 7.823409 918.4667   47.08631 918.4667   47.08631 ?          ?        300.9322 7.823409 ?        ?        ?         ?        
1 1 1 4  55 11 o 155.3306 6.939260 244.5084   21.55759 244.5084   21.55759 ?          ?        155.3306 6.939260 ?        ?        ?         ?        
1 1 1 4  55 12 f 129.1797 7.904874 170.1915   20.42298 170.1915   20.42298 ?          ?        129.1797 7.904874 ?        ?        ?         ?        
1 1 1 4  56 0  o 338.5527 11.92970 1156.167   80.55730 1156.167   80.55730 1156.167   80.55730 338.5527 11.92970 338.5527 11.92970 -0.000000 0.000000 
1 1 1 4  56 1  o 199.4519 7.395232 399.3827   29.49986 399.3827   29.49986 ?          ?        199.4519 7.395232 ?        ?        ?         ?        
1 1 1 4  56 2  o 490.0982 11.11232 2425.796   108.9226 2425.796   108.9226 ?          ?        490.0982 11.11232 ?        ?        ?         ?        
1 1 1 4  56 3  o 146.3878 8.138250 215.5759   23.82681 215.5759   23.82681 ?          ?        146.3878 8.138250 ?        ?        ?         ?        
1 1 1 4  56 4  o 499.8820 11.46227 2529.045   114.5956 2529.045   114.5956 ?          ?        499.8820 11.46227 ?        ?        ?         ?        
1 1 1 4  56 5  o 268.4512 7.396380 725.5831   39.71135 725.5831   39.71135 ?          ?        268.4512 7.396380 ?        ?        ?         ?        
1 1 1 4  56 6  o 85.60337 10.60341 74.31695   18.15376 74.31695   18.15376 ?          ?        85.60337 10.60341 ?        ?        ?         ?        
1 1 1 4  56 7  o 70.12260 13.84154 52.19205   18.72106 52.19205   18.72106 ?          ?        70.12260 13.84154 ?        ?        ?         ?        
1 1 1 4  56 8  o 404.7842 9.670349 1663.905   78.28809 1663.905   78.28809 ?          ?        404.7842 9.670349 ?        ?        ?         ?        
1 1 1 4  56 9  o 54.62792 15.08819 32.33638   17.01915 32.33638   17.01915 ?          ?        54.62792 15.08819 ?        ?        ?         ?        
1 1 1 4  56 10 o 71.31733 14.02255 55.02858   19.28837 55.02858   19.28837 ?          ?        71.31733 14.02255 ?        ?        ?         ?        
1 1 1 4  56 11 o 88.23937 10.92957 80.55730   19.28837 80.55730   19.28837 ?          ?        88.23937 10.92957 ?        ?        ?         ?        
1 1 1 4  56 12 o 31.77268 14.13266 -4.538440  18.15376 -4.538440  18.15376 ?          ?        31.77268 14.13266 ?        ?        ?         ?        
1 1 1 4  57 0  o 180.4840 10.60611 330.7388   38.00943 330.7388   38.00943 330.7388   38.00943 180.4840 10.60611 180.4840 10.60611 -0.000000 0.000000 
1 1 1 4  57 1  o 298.8624 7.782681 898.0438   46.51900 898.0438   46.51900 ?          ?        298.8624 7.782681 ?        ?        ?         ?        
1 1 1 4  57 2  o 340.2160 8.420797 1164.677   57.29780 1164.677   57.29780 ?          ?        340.2160 8.420797 ?        ?        ?         ?        
1 1 1 4  57 3  o 119.0508 9.292204 142.9609   22.12490 142.9609   22.12490 ?          ?        119.0508 9.292204 ?        ?        ?         ?        
1 1 1 4  57 4  o 264.6196 7.503478 705.1601   39.71135 705.1601   39.71135 ?          ?        264.6196 7.503478 ?        ?        ?         ?        
1 1 1 4  57 5  o 84.08031 12.48228 72.04772   20.99029 72.04772   20.99029 ?          ?        84.08031 12.48228 ?        ?        ?         ?        
1 1 1 4  57 6  o 340.6736 8.409488 1172.619   57.29780 1172.619   57.29780 ?          ?        340.6736 8.409488 ?        ?        ?         ?        
1 1 1 4  57 7  o 151.6262 7.482940 232.0277   22.69220 232.0277   22.69220 ?          ?        151.6262 7.482940 ?        ?        ?         ?        
1 1 1 4  57 8  o 69.09069 14.03658 51.05745   18.72106 51.05745   18.72106 ?          ?        69.09069 14.03658 ?        ?        ?         ?        
1 1 1 4  57 9  o 97.57136 10.46566 97.57646   20.42298 97.57646   20.42298 ?          ?        97.57136 10.46566 ?        ?        ?         ?        
1 1 1 4  57 10 o 27.21329 12.87163 -20.42298  18.72106 -20.42298  18.72106 ?          ?        27.21329 12.87163 ?        ?        ?         ?        
1 1 1 4  57 11 o 205.6844 7.171146 430.0172   29.49986 430.0172   29.49986 ?          ?        205.6844 7.171146 ?        ?        ?         ?        
1 1 1 4  57 12 f 56.89728 15.86359 36.30752   18.72106 36.30752   18.72106 ?          ?        56.89728 15.86359 ?        ?        ?         ?        
1 1 1 4  58 0  o 342.6923 11.78410 1186.802   80.55730 1186.802   80.55730 1186.802   80.55730 342.6923 11.78410 342.6923 11.78410 -0.000000 0.000000 
1 1 1 4  58 1  o 143.9366 8.473911 208.7682   24.39412 208.7682   24.39412 ?          ?        143.9366 8.473911 ?        ?        ?         ?        
1 1 1 4  58 2  o 328.6503 8.371904 1089.226   55.02858 1089.226   55.02858 ?          ?        328.6503 8.371904 ?        ?        ?         ?        
1 1 1 4  58 3  o 88.90144 12.44350 80.55730   22.12490 80.55730   22.12490 ?          ?        88.90144 12.44350 ?        ?        ?         ?        
1 1 1 4  58 4  o 232.3343 7.447373 543.4781   34.60560 543.4781   34.60560 ?          ?        232.3343 7.447373 ?        ?        ?         ?        
1 1 1 4  58 5  o 197.9692 7.164057 394.8442   28.36525 394.8442   28.36525 ?          ?        197.9692 7.164057 ?        ?        ?         ?        
1 1 1 4  58 6  o 167.8134 7.606283 284.2198   25.52872 284.2198   25.52872 ?          ?        167.8134 7.606283 ?        ?        ?         ?        
1 1 1 4  58 7  o 103.4764 10.14255 108.9226   20.99029 108.9226   20.99029 ?          ?        103.4764 10.14255 ?        ?        ?         ?        
1 1 1 4  58 8  o 47.35432 16.74285 21.55759   19.85567 21.55759   19.85567 ?          ?        47.35432 16.74285 ?        ?        ?         ?        
1 1 1 4  58 9  o 68.06010 15.72475 51.05745   20.99029 51.05745   20.99029 ?          ?        68.06010 15.72475 ?        ?        ?         ?        
1 1 1 4  58 10 o 110.0746 9.534571 124.2398   20.99029 124.2398   20.99029 ?          ?        110.0746 9.534571 ?        ?        ?         ?        
1 1 1 4  58 11 o 120.4321 8.714574 148.6339   20.99029 148.6339   20.99029 ?          ?        120.4321 8.714574 ?        ?        ?         ?        
1 1 1 4  59 0  o 27.02140 18.50056 -14.74993  30.06716 -14.74993  30.06716 -14.74993  30.06716 27.02140 18.50056 27.02140 18.50056 -0.000000 0.000000 
1 1 1 4  59 1  o 189.6198 7.329914 361.9406   27.79794 361.9406   27.79794 ?          ?        189.6198 7.329914 ?        ?        ?         ?        
1 1 1 4  59 2  o 307.3015 8.122778 951.9377   49.92284 951.9377   49.92284 ?          ?        307.3015 8.122778 ?        ?        ?         ?        
1 1 1 4  59 3  o 55.58261 16.88550 32.33638   20.42298 32.33638   20.42298 ?          ?        55.58261 16.88550 ?        ?        ?         ?        
1 1 1 4  59 4  o 79.41396 13.21574 64.67276   20.99029 64.67276   20.99029 ?          ?        79.41396 13.21574 ?        ?        ?         ?        
1 1 1 4  59 5  o 159.7926 7.455540 257.5565   23.82681 257.5565   23.82681 ?          ?        159.7926 7.455540 ?        ?        ?         ?        
1 1 1 4  59 6  o 543.5107 13.30818 3040.754   144.6628 3040.754   144.6628 ?          ?        543.5107 13.30818 ?        ?        ?         ?        
1 1 1 4  59 7  o 110.7225 10.75970 125.3744   23.82681 125.3744   23.82681 ?          ?        110.7225 10.75970 ?        ?        ?         ?        
1 1 1 4  59 8  o 98.03129 10.70591 98.71106   20.99029 98.71106   20.99029 ?          ?        98.03129 10.70591 ?        ?        ?         ?        
1 1 1 4  59 9  o 158.4045 8.058083 255.2872   25.52872 255.2872   25.52872 ?          ?        158.4045 8.058083 ?        ?        ?         ?        
1 1 1 4  59 10 o 88.21323 11.57592 81.12460   20.42298 81.12460   20.42298 ?          ?        88.21323 11.57592 ?        ?        ?         ?        
1 1 1 4  59 11 o 84.96324 11.35101 75.45156   19.28837 75.45156   19.28837 ?          ?        84.96324 11.35101 ?        ?        ?         ?        
1 1 1 4  60 0  o 294.5816 11.30212 878.7554   66.37468 878.7554   66.37468 878.7554   66.37468 294.5816 11.30212 294.5816 11.30212 -0.000000 0.000000 
1 1 1 4  60 1  o 39.97959 16.66365 4.538440   22.12490 4.538440   22.12490 ?          ?        39.97959 16.66365 ?        ?        ?         ?        
1 1 1 4  60 2  f 270.4447 7.656511 737.4965   41.41326 737.4965   41.41326 ?          ?        270.4447 7.656511 ?        ?        ?         ?        
1 1 1 4  60 3  o 139.4100 9.359450 196.8548   26.09603 196.8548   26.09603 ?          ?        139.4100 9.359450 ?        ?        ?         ?        
1 1 1 4  60 4  o 256.3360 7.303330 662.6122   37.44213 662.6122   37.44213 ?          ?        256.3360 7.303330 ?        ?        ?         ?        
1 1 1 4  60 5  o 196.2498 7.371359 388.6039   28.93255 388.6039   28.93255 ?          ?        196.2498 7.371359 ?        ?        ?         ?        
1 1 1 4  60 6  f 274.3537 7.960979 761.3232   43.68248 761.3232   43.68248 ?          ?        274.3537 7.960979 ?        ?        ?         ?        
1 1 1 4  60 7  f 28.58816 13.43575 -19.85567  19.85567 -19.85567  19.85567 ?          ?        28.58816 13.43575 ?        ?        ?         ?        
1 1 1 4  60 8  o 293.5165 7.827790 874.7842   45.95170 874.7842   45.95170 ?          ?        293.5165 7.827790 ?        ?        ?         ?        
1 1 1 4  60 9  o 109.5575 9.579578 123.1052   20.99029 123.1052   20.99029 ?          ?        109.5575 9.579578 ?        ?        ?         ?        
1 1 1 4  60 10 o 94.80744 11.36914 93.60532   21.55759 93.60532   21.55759 ?          ?        94.80744 11.36914 ?        ?        ?         ?        
1 1 1 4  61 0  o 55.11725 25.20863 45.95170   30.06716 45.95170   30.06716 45.95170   30.06716 55.11725 25.20863 55.11725 25.20863 -0.000000 0.000000 
1 1 1 4  61 1  o 138.6657 9.000576 194.5856   24.96142 194.5856   24.96142 ?          ?        138.6657 9.000576 ?        ?        ?         ?        
1 1 1 4  61 2  o 179.7921 7.730579 326.2003   27.79794 326.2003   27.79794 ?          ?        179.7921 7.730579 ?        ?        ?         ?        
1 1 1 4  61 3  o 332.2614 9.049250 1118.725   60.13433 1118.725   60.13433 ?          ?        332.2614 9.049250 ?        ?        ?         ?        
1 1 1 4  61 4  o 272.8337 7.693437 751.6791   41.98057 751.6791   41.98057 ?          ?        272.8337 7.693437 ?        ?        ?         ?        
1 1 1 4  61 5  o 120.0834 9.212304 146.3647   22.12490 146.3647   22.12490 ?          ?        120.0834 9.212304 ?        ?        ?         ?        
1 1 1 4  61 6  o 204.1472 7.086199 421.5076   28.93255 421.5076   28.93255 ?          ?        204.1472 7.086199 ?        ?        ?         ?        
1 1 1 4  61 7  o 191.8183 7.393783 373.2867   28.36525 373.2867   28.36525 ?          ?        191.8183 7.393783 ?        ?        ?         ?        
1 1 1 4  61 8  o 268.4821 7.606829 732.3907   40.84595 732.3907   40.84595 ?          ?        268.4821 7.606829 ?        ?        ?         ?        
1 1 1 4  61 9  o 123.6456 8.717491 156.5762   21.55759 156.5762   21.55759 ?          ?        123.6456 8.717491 ?        ?        ?         ?        
1 1 1 4  61 10 o 200.8375 7.202977 410.7288   28.93255 410.7288   28.93255 ?          ?        200.8375 7.202977 ?        ?        ?         ?        
1 1 1 4  62 0  o 150.5559 11.62950 233.1623   34.60560 233.1623   34.60560 233.1623   34.60560 150.5559 11.62950 150.5559 11.62950 -0.000000 0.000000 
1 1 1 4  62 1  o 193.1228 7.784470 376.6905   30.06716 376.6905   30.06716 ?          ?        193.1228 7.784470 ?        ?        ?         ?        
1 1 1 4  62 2  f 374.4329 9.848180 1424.503   73.74965 1424.503   73.74965 ?          ?        374.4329 9.848180 ?        ?        ?         ?        
1 1 1 4  62 3  o 446.8438 12.06103 2045.135   107.7879 2045.135   107.7879 ?          ?        446.8438 12.06103 ?        ?        ?         ?        
1 1 1 4  62 4  o 188.0169 8.901061 358.5367   33.47099 358.5367   33.47099 ?          ?        188.0169 8.901061 ?        ?        ?         ?        
1 1 1 4  62 5  o 147.5294 7.883004 220.6816   23.25950 220.6816   23.25950 ?          ?        147.5294 7.883004 ?        ?        ?         ?        
1 1 1 4  62 6  o 139.8676 8.517629 199.1240   23.82681 199.1240   23.82681 ?          ?        139.8676 8.517629 ?        ?        ?         ?        
1 1 1 4  62 7  o 278.2012 7.748919 785.7174   43.11518 785.7174   43.11518 ?          ?        278.2012 7.748919 ?        ?        ?         ?        
1 1 1 4  62 8  o 291.3204 7.886797 864.0055   45.95170 864.0055   45.95170 ?          ?        291.3204 7.886797 ?        ?        ?         ?        
1 1 1 4  62 9  o 56.58476 16.52250 35.74022   19.85567 35.74022   19.85567 ?          ?        56.58476 16.52250 ?        ?        ?         ?        
1 1 1 4  63 0  o 50.95919 25.02049 40.27865   30.06716 40.27865   30.06716 40.27865   30.06716 50.95919 25.02049 50.95919 25.02049 -0.000000 0.000000 
1 1 1 4  63 1  o 98.54219 11.51395 99.27837   22.69220 99.27837   22.69220 ?          ?        98.54219 11.51395 ?        ?        ?         ?        
1 1 1 4  63 2  o 82.72031 12.68750 70.34581   20.99029 70.34581   20.99029 ?          ?        82.72031 12.68750 ?        ?        ?         ?        
1 1 1 4  63 3  o 221.8819 7.414687 497.5265   32.90369 497.5265   32.90369 ?          ?        221.8819 7.414687 ?        ?        ?         ?        
1 1 1 4  63 4  o 174.0969 7.983469 307.4793   27.79794 307.4793   27.79794 ?          ?        174.0969 7.983469 ?        ?        ?         ?        
1 1 1 4  63 5  o 38.77089 16.65709 1.134610   23.25950 1.134610   23.25950 ?          ?        38.77089 16.65709 ?        ?        ?         ?        
1 1 1 4  63 6  o 257.0135 7.835904 670.5544   40.27865 670.5544   40.27865 ?          ?        257.0135 7.835904 ?        ?        ?         ?        
1 1 1 4  63 7  o 131.2668 8.643543 175.8645   22.69220 175.8645   22.69220 ?          ?        131.2668 8.643543 ?        ?        ?         ?        
1 1 1 4  63 8  o 145.5090 8.577274 216.7105   24.96142 216.7105   24.96142 ?          ?        145.5090 8.577274 ?        ?        ?         ?        
1 1 1 4  63 9  o 57.15226 17.34539 36.87482   21.55759 36.87482   21.55759 ?          ?        57.15226 17.34539 ?        ?        ?         ?        
1 1 1 4  64 0  o 187.3475 10.82514 358.5367   40.27865 358.5367   40.27865 358.5367   40.27865 187.3475 10.82514 187.3475 10.82514 -0.000000 0.000000 
1 1 1 4  64 1  o 41.80193 16.68478 10.77879   20.99029 10.77879   20.99029 ?          ?        41.80193 16.68478 ?        ?        ?         ?        
1 1 1 4  64 2  o 306.7519 8.137332 954.7743   49.92284 954.7743   49.92284 ?          ?        306.7519 8.137332 ?        ?        ?         ?        
1 1 1 4  64 3  o 143.4291 8.108361 208.7682   23.25950 208.7682   23.25950 ?          ?        143.4291 8.108361 ?        ?        ?         ?        
1 1 1 4  64 4  o 162.3932 7.860159 267.7679   25.52872 267.7679   25.52872 ?          ?        162.3932 7.860159 ?        ?        ?         ?        
1 1 1 4  64 5  o 116.1488 10.25702 138.4224   23.82681 138.4224   23.82681 ?          ?        116.1488 10.25702 ?        ?        ?         ?        
1 1 1 4  64 6  o 175.9215 7.900666 314.8543   27.79794 314.8543   27.79794 ?          ?        175.9215 7.900666 ?        ?        ?         ?        
1 1 1 4  64 7  o 52.24426 17.03732 29.49986   20.42298 29.49986   20.42298 ?          ?        52.24426 17.03732 ?        ?        ?         ?        
1 1 1 4  64 8  o 78.88817 14.17913 68.07660   21.55759 68.07660   21.55759 ?          ?        78.88817 14.17913 ?        ?        ?         ?        
1 1 1 4  65 0  o 315.4195 12.08907 1015.476   76.01886 1015.476   76.01886 1015.476   76.01886 315.4195 12.08907 315.4195 12.08907 -0.000000 0.000000 
1 1 1 4  65 1  o 140.4727 8.884796 200.8260   24.96142 200.8260   24.96142 ?          ?        140.4727 8.884796 ?        ?        ?         ?        
1 1 1 4  65 2  o 93.57471 12.42831 90.76879   23.25950 90.76879   23.25950 ?          ?        93.57471 12.42831 ?        ?        ?         ?        
1 1 1 4  65 3  o 56.56575 16.52429 35.17290   19.85567 35.17290   19.85567 ?          ?        56.56575 16.52429 ?        ?        ?         ?        
1 1 1 4  65 4  o 61.60431 16.96635 41.98057   21.55759 41.98057   21.55759 ?          ?        61.60431 16.96635 ?        ?        ?         ?        
1 1 1 4  65 5  o 54.92255 18.18200 32.33638   23.25950 32.33638   23.25950 ?          ?        54.92255 18.18200 ?        ?        ?         ?        
1 1 1 4  65 6  o 149.6271 8.341212 228.6239   24.96142 228.6239   24.96142 ?          ?        149.6271 8.341212 ?        ?        ?         ?        
1 1 1 4  65 7  o 63.98587 17.62384 46.51900   23.25950 46.51900   23.25950 ?          ?        63.98587 17.62384 ?        ?        ?         ?        
1 1 1 4  65 8  f 91.68011 12.37575 88.49958   22.69220 88.49958   22.69220 ?          ?        91.68011 12.37575 ?        ?        ?         ?        
1 1 1 4  66 0  o 123.3998 13.86419 161.6819   33.47099 161.6819   33.47099 161.6819   33.47099 123.3998 13.86419 123.3998 13.86419 -0.000000 0.000000 
1 1 1 4  66 1  o 268.8219 7.597214 733.5253   40.84595 733.5253   40.84595 ?          ?        268.8219 7.597214 ?        ?        ?         ?        
1 1 1 4  66 2  o 214.0673 7.817869 465.1901   33.47099 465.1901   33.47099 ?          ?        214.0673 7.817869 ?        ?        ?         ?        
1 1 1 4  66 3  o 98.63612 12.07814 100.9803   23.82681 100.9803   23.82681 ?          ?        98.63612 12.07814 ?        ?        ?         ?        
1 1 1 4  66 4  o 170.2689 7.496588 294.4313   25.52872 294.4313   25.52872 ?          ?        170.2689 7.496588 ?        ?        ?         ?        
1 1 1 4  66 5  o 133.0257 9.808642 182.1049   26.09603 182.1049   26.09603 ?          ?        133.0257 9.808642 ?        ?        ?         ?        
1 1 1 4  66 6  o 121.3974 9.346248 151.4704   22.69220 151.4704   22.69220 ?          ?        121.3974 9.346248 ?        ?        ?         ?        
1 1 1 4  66 7  o 51.43499 17.50420 28.36525   21.55759 28.36525   21.55759 ?          ?        51.43499 17.50420 ?        ?        ?         ?        
1 1 1 4  67 0  o 21.12246 15.31488 -51.62476  31.76908 -51.62476  31.76908 -51.62476  31.76908 21.12246 15.31488 21.12246 15.31488 -0.000000 0.000000 
1 1 1 4  67 1  o 284.0727 8.088017 821.4576   45.95170 821.4576   45.95170 ?          ?        284.0727 8.088017 ?        ?        ?         ?        
1 1 1 4  67 2  o 128.1065 10.40671 169.0569   26.66333 169.0569   26.66333 ?          ?        128.1065 10.40671 ?        ?        ?         ?        
1 1 1 4  67 3  o 41.49007 17.40699 6.240355   24.39412 6.240355   24.39412 ?          ?        41.49007 17.40699 ?        ?        ?         ?        
1 1 1 4  67 4  o 191.6813 7.843009 374.4213   30.06716 374.4213   30.06716 ?          ?        191.6813 7.843009 ?        ?        ?         ?        
1 1 1 4  67 5  o 49.63768 18.26103 23.82681   23.82681 23.82681   23.82681 ?          ?        49.63768 18.26103 ?        ?        ?         ?        
1 1 1 4  67 6  o 97.57381 11.04681 99.27837   21.55759 99.27837   21.55759 ?          ?        97.57381 11.04681 ?        ?        ?         ?        
1 1 1 4  68 0  o 258.7642 11.22660 685.3044   57.86510 685.3044   57.86510 685.3044   57.86510 258.7642 11.22660 258.7642 11.22660 -0.000000 0.000000 
1 1 1 4  68 1  o 178.5374 8.261536 325.0657   29.49986 325.0657   29.49986 ?          ?        178.5374 8.261536 ?        ?        ?         ?        
1 1 1 4  68 2  o 181.7648 8.426954 337.5464   30.63447 337.5464   30.63447 ?          ?        181.7648 8.426954 ?        ?        ?         ?        
1 1 1 4  68 3  o 76.28619 16.45727 65.24007   24.39412 65.24007   24.39412 ?          ?        76.28619 16.45727 ?        ?        ?         ?        
1 1 1 4  68 4  o 52.80653 18.17388 29.49986   23.25950 29.49986   23.25950 ?          ?        52.80653 18.17388 ?        ?        ?         ?        
1 1 1 4  68 5  o 57.98213 18.36016 38.00943   23.82681 38.00943   23.82681 ?          ?        57.98213 18.36016 ?        ?        ?         ?        
1 1 1 4  69 0  o 32.39531 21.42281 -0.5673050 34.60560 -0.5673050 34.60560 -0.5673050 34.60560 32.39531 21.42281 32.39531 21.42281 -0.000000 0.000000 
1 1 1 4  69 1  o 36.51583 16.39769 -7.374964  24.96142 -7.374964  24.96142 ?          ?        36.51583 16.39769 ?        ?        ?         ?        
1 1 1 4  69 2  o 214.3397 7.675595 468.0266   32.90369 468.0266   32.90369 ?          ?        214.3397 7.675595 ?        ?        ?         ?        
1 1 1 4  69 3  o 174.5049 7.964804 310.8831   27.79794 310.8831   27.79794 ?          ?        174.5049 7.964804 ?        ?        ?         ?        
1 1 1 4  69 4  o 83.87448 13.52747 74.88425   22.69220 74.88425   22.69220 ?          ?        83.87448 13.52747 ?        ?        ?         ?        
1 1 1 4  70 0  o 34.47109 22.04497 8.509575   32.90369 8.509575   32.90369 8.509575   32.90369 34.47109 22.04497 34.47109 22.04497 -0.000000 0.000000 
1 1 1 4  70 1  o 140.7503 9.471857 204.2298   26.66333 204.2298   26.66333 ?          ?        140.7503 9.471857 ?        ?        ?         ?        
1 1 1 4  70 2  o 37.14908 16.63486 -6.240355  25.52872 -6.240355  25.52872 ?          ?        37.14908 16.63486 ?        ?        ?         ?        
1 1 1 4  70 3  o 89.59088 13.93078 85.66305   24.96142 85.66305   24.96142 ?          ?        89.59088 13.93078 ?        ?        ?         ?        
1 1 1 4  71 0  o 88.97520 24.37334 100.9803   37.44213 100.9803   37.44213 100.9803   37.44213 88.97520 24.37334 88.97520 24.37334 -0.000000 0.000000 
1 1 1 4  71 1  o 34.69079 16.08591 -17.58645  26.66333 -17.58645  26.66333 ?          ?        34.69079 16.08591 ?        ?        ?         ?        
1 1 1 5  0  1  o 614.6843 12.84108 3788.462   157.7108 3788.462   157.7108 3788.462   157.7108 614.6843 12.84108 614.6843 12.84108 -0.000000 0.000000 
1 1 1 5  0  2  o 110.7976 3.334781 123.1052   7.374964 123.1052   7.374964 123.1052   7.374964 110.7976 3.334781 110.7976 3.334781 -0.000000 0.000000 
1 1 1 5  0  3  o 65.65814 4.359328 43.68248   5.673049 43.68248   5.673049 43.68248   5.673049 65.65814 4.359328 65.65814 4.359328 -0.000000 0.000000 
1 1 1 5  0  4  o 60.27034 4.279096 36.87482   5.105744 36.87482   5.105744 36.87482   5.105744 60.27034 4.279096 60.27034 4.279096 -0.000000 0.000000 
1 1 1 5  0  5  o 12.60564 8.295513 -0.5673050 5.105744 -0.5673050 5.105744 -0.5673050 5.105744 12.60564 8.295513 12.60564 8.295513 -0.000000 0.000000 
1 1 1 5  0  6  o 266.7755 5.960892 713.1024   31.76908 713.1024   31.76908 713.1024   31.76908 266.7755 5.960892 266.7755 5.960892 -0.000000 0.000000 
1 1 1 5  0  7  o 649.5431 13.50690 4237.201   175.2972 4237.201   175.2972 4237.201   175.2972 649.5431 13.50690 649.5431 13.50690 -0.000000 0.000000 
1 1 1 5  0  8  o 320.4203 7.089732 1029.091   45.38440 1029.091   45.38440 1029.091   45.38440 320.4203 7.089732 320.4203 7.089732 -0.000000 0.000000 
1 1 1 5  0  9  o 1203.315 28.74784 14671.07   690.9775 14671.07   690.9775 14671.07   690.9775 1203.315 28.74784 1203.315 28.74784 -0.000000 0.000000 
1 1 1 5  0  10 o 82.90164 5.876053 69.77851   9.644185 69.77851   9.644185 69.77851   9.644185 82.90164 5.876053 82.90164 5.876053 -0.000000 0.000000 
1 1 1 5  0  11 o 646.7420 18.36563 4208.268   237.1335 4208.268   237.1335 4208.268   237.1335 646.7420 18.36563 646.7420 18.36563 -0.000000 0.000000 
1 1 1 5  0  12 o 434.0963 13.55513 1894.231   117.4321 1894.231   117.4321 1894.231   117.4321 434.0963 13.55513 434.0963 13.55513 -0.000000 0.000000 
1 1 1 5  0  13 o 541.3393 16.90854 2951.688   182.6722 2951.688   182.6722 2951.688   182.6722 541.3393 16.90854 541.3393 16.90854 -0.000000 0.000000 
1 1 1 5  0  14 o 615.3947 19.16943 3823.068   235.4316 3823.068   235.4316 3823.068   235.4316 615.3947 19.16943 615.3947 19.16943 -0.000000 0.000000 
1 1 1 5  0  15 o 263.8823 9.377693 700.6216   49.35553 700.6216   49.35553 700.6216   49.35553 263.8823 9.377693 263.8823 9.377693 -0.000000 0.000000 
1 1 1 5  0  16 o 62.06540 16.94435 46.51900   18.15376 46.51900   18.15376 46.51900   18.15376 62.06540 16.94435 62.06540 16.94435 -0.000000 0.000000 
1 1 1 5  0  17 o 62.61934 17.79656 48.22092   19.28837 48.22092   19.28837 48.22092   19.28837 62.61934 17.79656 62.61934 17.79656 -0.000000 0.000000 
1 1 1 5  0  18 o 19.64075 13.66066 -13.61532  18.15376 -13.61532  18.15376 -13.61532  18.15376 19.64075 13.66066 19.64075 13.66066 -0.000000 0.000000 
1 1 1 5  0  19 o 142.7342 8.813433 208.2009   24.96142 208.2009   24.96142 208.2009   24.96142 142.7342 8.813433 142.7342 8.813433 -0.000000 0.000000 
1 1 1 5  0  20 o 32.85624 19.57223 14.18262   22.12490 14.18262   22.12490 14.18262   22.12490 32.85624 19.57223 32.85624 19.57223 -0.000000 0.000000 
1 1 1 5  1  0  o 344.5116 7.417775 1189.071   51.05745 1189.071   51.05745 1189.071   51.05745 344.5116 7.417775 344.5116 7.417775 -0.000000 0.000000 
1 1 1 5  1  1  o 235.1467 4.463231 553.1223   20.99029 553.1223   20.99029 ?          ?        235.1467 4.463231 ?        ?        ?         ?        
1 1 1 5  1  2  o 302.4498 4.595465 915.0629   27.79794 915.0629   27.79794 ?          ?        302.4498 4.595465 ?        ?        ?         ?        
1 1 1 5  1  3  o 1078.203 15.67950 11659.82   338.1137 11659.82   338.1137 ?          ?        1078.203 15.67950 ?        ?        ?         ?        
1 1 1 5  1  4  o 391.3818 5.870444 1532.291   45.95170 1532.291   45.95170 ?          ?        391.3818 5.870444 ?        ?        ?         ?        
1 1 1 5  1  5  o 177.5769 3.514171 315.4216   12.48071 315.4216   12.48071 ?          ?        177.5769 3.514171 ?        ?        ?         ?        
1 1 1 5  1  6  o 354.5029 5.360948 1257.715   38.00943 1257.715   38.00943 ?          ?        354.5029 5.360948 ?        ?        ?         ?        
1 1 1 5  1  7  o 618.0187 9.087620 3829.875   112.3264 3829.875   112.3264 ?          ?        618.0187 9.087620 ?        ?        ?         ?        
1 1 1 5  1  8  o 309.6058 4.764100 959.3127   29.49986 959.3127   29.49986 ?          ?        309.6058 4.764100 ?        ?        ?         ?        
1 1 1 5  1  9  o 295.5482 5.470578 874.2170   32.33638 874.2170   32.33638 ?          ?        295.5482 5.470578 ?        ?        ?         ?        
1 1 1 5  1  10 o 53.24263 5.860299 28.36525   6.240355 28.36525   6.240355 ?          ?        53.24263 5.860299 ?        ?        ?         ?        
1 1 1 5  1  11 o 432.8373 8.781460 1876.645   76.01886 1876.645   76.01886 ?          ?        432.8373 8.781460 ?        ?        ?         ?        
1 1 1 5  1  12 o 136.5783 4.776751 186.6433   13.04801 186.6433   13.04801 ?          ?        136.5783 4.776751 ?        ?        ?         ?        
1 1 1 5  1  13 o 140.4483 5.251018 197.4221   14.74993 197.4221   14.74993 ?          ?        140.4483 5.251018 ?        ?        ?         ?        
1 1 1 5  1  14 o 145.7780 5.448196 212.7394   15.88454 212.7394   15.88454 ?          ?        145.7780 5.448196 ?        ?        ?         ?        
1 1 1 5  1  15 o 394.9655 9.048944 1566.896   71.48043 1566.896   71.48043 ?          ?        394.9655 9.048944 ?        ?        ?         ?        
1 1 1 5  1  16 o 86.01379 7.255063 74.31695   12.48071 74.31695   12.48071 ?          ?        86.01379 7.255063 ?        ?        ?         ?        
1 1 1 5  1  17 o 267.7264 6.674765 721.0446   35.74022 721.0446   35.74022 ?          ?        267.7264 6.674765 ?        ?        ?         ?        
1 1 1 5  1  18 o 108.6949 6.785015 119.1340   14.74993 119.1340   14.74993 ?          ?        108.6949 6.785015 ?        ?        ?         ?        
1 1 1 5  1  19 o 100.3060 7.352462 102.1149   14.74993 102.1149   14.74993 ?          ?        100.3060 7.352462 ?        ?        ?         ?        
1 1 1 5  1  20 f 59.87354 12.70277 39.14404   14.74993 39.14404   14.74993 ?          ?        59.87354 12.70277 ?        ?        ?         ?        
1 1 1 5  2  0  o 192.2908 4.578644 370.4502   17.58645 370.4502   17.58645 370.4502   17.58645 192.2908 4.578644 192.2908 4.578644 -0.000000 0.000000 
1 1 1 5  2  1  o 1072.112 16.64167 11546.93   356.8348 11546.93   356.8348 ?          ?        1072.112 16.64167 ?        ?        ?         ?        
1 1 1 5  2  2  o 354.6177 6.159095 1258.282   43.68248 1258.282   43.68248 ?          ?        354.6177 6.159095 ?        ?        ?         ?        
1 1 1 5  2  3  o 151.0073 3.005444 228.0566   9.076880 228.0566   9.076880 ?          ?        151.0073 3.005444 ?        ?        ?         ?        
1 1 1 5  2  4  o 261.0028 4.129762 681.3333   21.55759 681.3333   21.55759 ?          ?        261.0028 4.129762 ?        ?        ?         ?        
1 1 1 5  2  5  o 310.1982 6.949618 963.2838   43.11518 963.2838   43.11518 ?          ?        310.1982 6.949618 ?        ?        ?         ?        
1 1 1 5  2  6  o 315.2515 4.858736 994.4856   30.63447 994.4856   30.63447 ?          ?        315.2515 4.858736 ?        ?        ?         ?        
1 1 1 5  2  7  o 701.9926 10.30373 4945.197   144.6628 4945.197   144.6628 ?          ?        701.9926 10.30373 ?        ?        ?         ?        
1 1 1 5  2  8  o 198.2373 3.434096 393.1424   13.61532 393.1424   13.61532 ?          ?        198.2373 3.434096 ?        ?        ?         ?        
1 1 1 5  2  9  o 576.4349 11.56390 3335.186   133.3167 3335.186   133.3167 ?          ?        576.4349 11.56390 ?        ?        ?         ?        
1 1 1 5  2  10 o 182.4472 4.819601 333.0080   17.58645 333.0080   17.58645 ?          ?        182.4472 4.819601 ?        ?        ?         ?        
1 1 1 5  2  11 f 399.6135 8.162895 1599.233   65.24007 1599.233   65.24007 ?          ?        399.6135 8.162895 ?        ?        ?         ?        
1 1 1 5  2  12 o 358.8381 8.616177 1290.052   61.83624 1290.052   61.83624 ?          ?        358.8381 8.616177 ?        ?        ?         ?        
1 1 1 5  2  13 o 264.8477 6.426013 702.3236   34.03830 702.3236   34.03830 ?          ?        264.8477 6.426013 ?        ?        ?         ?        
1 1 1 5  2  14 o 490.4874 10.93001 2416.152   107.2206 2416.152   107.2206 ?          ?        490.4874 10.93001 ?        ?        ?         ?        
1 1 1 5  2  15 o 370.6263 8.571728 1379.118   63.53815 1379.118   63.53815 ?          ?        370.6263 8.571728 ?        ?        ?         ?        
1 1 1 5  2  16 o 114.5189 6.439957 131.6148   14.74993 131.6148   14.74993 ?          ?        114.5189 6.439957 ?        ?        ?         ?        
1 1 1 5  2  17 o 35.59570 13.19593 10.21149   12.48071 10.21149   12.48071 ?          ?        35.59570 13.19593 ?        ?        ?         ?        
1 1 1 5  2  18 o 94.22739 7.224714 89.63419   13.61532 89.63419   13.61532 ?          ?        94.22739 7.224714 ?        ?        ?         ?        
1 1 1 5  2  19 o 179.9368 6.305602 327.3350   22.69220 327.3350   22.69220 ?          ?        179.9368 6.305602 ?        ?        ?         ?        
1 1 1 5  2  20 o 72.10742 10.22775 53.89397   14.74993 53.89397   14.74993 ?          ?        72.10742 10.22775 ?        ?        ?         ?        
1 1 1 5  3  0  o 152.5367 3.910792 233.1623   11.91340 233.1623   11.91340 233.1623   11.91340 152.5367 3.910792 152.5367 3.910792 -0.000000 0.000000 
1 1 1 5  3  1  o 619.8049 9.152961 3846.895   113.4610 3846.895   113.4610 ?          ?        619.8049 9.152961 ?        ?        ?         ?        
1 1 1 5  3  2  o 198.6874 3.569079 394.8442   14.18262 394.8442   14.18262 ?          ?        198.6874 3.569079 ?        ?        ?         ?        
1 1 1 5  3  3  o 771.3265 12.06208 5959.539   186.0760 5959.539   186.0760 ?          ?        771.3265 12.06208 ?        ?        ?         ?        
1 1 1 5  3  4  o 688.0518 10.71862 4739.266   147.4993 4739.266   147.4993 ?          ?        688.0518 10.71862 ?        ?        ?         ?        
1 1 1 5  3  5  o 388.8132 5.909226 1513.002   45.95170 1513.002   45.95170 ?          ?        388.8132 5.909226 ?        ?        ?         ?        
1 1 1 5  3  6  o 125.1173 2.720510 156.5762   6.807660 156.5762   6.807660 ?          ?        125.1173 2.720510 ?        ?        ?         ?        
1 1 1 5  3  7  o 616.9157 9.103868 3816.260   112.3264 3816.260   112.3264 ?          ?        616.9157 9.103868 ?        ?        ?         ?        
1 1 1 5  3  8  o 247.4593 3.897282 612.6893   19.28837 612.6893   19.28837 ?          ?        247.4593 3.897282 ?        ?        ?         ?        
1 1 1 5  3  9  o 379.6883 8.217734 1444.359   62.40355 1444.359   62.40355 ?          ?        379.6883 8.217734 ?        ?        ?         ?        
1 1 1 5  3  10 o 360.9108 8.488099 1304.234   61.26894 1304.234   61.26894 ?          ?        360.9108 8.488099 ?        ?        ?         ?        
1 1 1 5  3  11 o 439.1942 8.912696 1932.241   78.28809 1932.241   78.28809 ?          ?        439.1942 8.912696 ?        ?        ?         ?        
1 1 1 5  3  12 o 326.2398 7.825140 1065.966   51.05745 1065.966   51.05745 ?          ?        326.2398 7.825140 ?        ?        ?         ?        
1 1 1 5  3  13 o 275.8414 6.581232 761.8906   36.30752 761.8906   36.30752 ?          ?        275.8414 6.581232 ?        ?        ?         ?        
1 1 1 5  3  14 o 259.3023 6.454048 673.3909   33.47099 673.3909   33.47099 ?          ?        259.3023 6.454048 ?        ?        ?         ?        
1 1 1 5  3  15 o 517.6415 11.45259 2698.670   118.5667 2698.670   118.5667 ?          ?        517.6415 11.45259 ?        ?        ?         ?        
1 1 1 5  3  16 o 187.1223 5.760294 351.1618   21.55759 351.1618   21.55759 ?          ?        187.1223 5.760294 ?        ?        ?         ?        
1 1 1 5  3  17 o 271.3453 6.794816 740.9003   36.87482 740.9003   36.87482 ?          ?        271.3453 6.794816 ?        ?        ?         ?        
1 1 1 5  3  18 o 130.5986 6.515821 171.8934   17.01915 171.8934   17.01915 ?          ?        130.5986 6.515821 ?        ?        ?         ?        
1 1 1 5  3  19 o 112.6501 7.302186 128.7782   16.45185 128.7782   16.45185 ?          ?        112.6501 7.302186 ?        ?        ?         ?        
1 1 1 5  3  20 o 84.59761 8.047106 73.18234   13.61532 73.18234   13.61532 ?          ?        84.59761 8.047106 ?        ?        ?         ?        
1 1 1 5  4  0  o 92.05511 3.399577 85.09574   6.240355 85.09574   6.240355 85.09574   6.240355 92.05511 3.399577 92.05511 3.399577 -0.000000 0.000000 
1 1 1 5  4  1  o 758.9218 11.06321 5771.193   167.9223 5771.193   167.9223 ?          ?        758.9218 11.06321 ?        ?        ?         ?        
1 1 1 5  4  2  o 295.6246 4.605611 874.2170   27.23064 874.2170   27.23064 ?          ?        295.6246 4.605611 ?        ?        ?         ?        
1 1 1 5  4  3  o 531.2236 9.077332 2824.611   96.44185 2824.611   96.44185 ?          ?        531.2236 9.077332 ?        ?        ?         ?        
1 1 1 5  4  4  o 241.1211 4.117366 581.4876   19.85567 581.4876   19.85567 ?          ?        241.1211 4.117366 ?        ?        ?         ?        
1 1 1 5  4  5  o 847.3961 13.18853 7211.581   223.5181 7211.581   223.5181 ?          ?        847.3961 13.18853 ?        ?        ?         ?        
1 1 1 5  4  6  o 316.8627 4.834029 1004.697   30.63447 1004.697   30.63447 ?          ?        316.8627 4.834029 ?        ?        ?         ?        
1 1 1 5  4  7  o 261.2760 4.125443 683.0352   21.55759 683.0352   21.55759 ?          ?        261.2760 4.125443 ?        ?        ?         ?        
1 1 1 5  4  8  o 298.7947 4.746611 893.5052   28.36525 893.5052   28.36525 ?          ?        298.7947 4.746611 ?        ?        ?         ?        
1 1 1 5  4  9  o 917.1036 18.18635 8489.151   333.5753 8489.151   333.5753 ?          ?        917.1036 18.18635 ?        ?        ?         ?        
1 1 1 5  4  10 o 264.6201 5.574001 700.6216   29.49986 700.6216   29.49986 ?          ?        264.6201 5.574001 ?        ?        ?         ?        
1 1 1 5  4  11 o 285.8009 6.153393 817.4865   35.17290 817.4865   35.17290 ?          ?        285.8009 6.153393 ?        ?        ?         ?        
1 1 1 5  4  12 o 218.0888 5.332576 475.9689   23.25950 475.9689   23.25950 ?          ?        218.0888 5.332576 ?        ?        ?         ?        
1 1 1 5  4  13 o 320.9645 7.423501 1031.928   47.65361 1031.928   47.65361 ?          ?        320.9645 7.423501 ?        ?        ?         ?        
1 1 1 5  4  14 o 511.8240 12.02612 2633.430   123.1052 2633.430   123.1052 ?          ?        511.8240 12.02612 ?        ?        ?         ?        
1 1 1 5  4  15 o 292.5730 7.077423 858.3325   41.41326 858.3325   41.41326 ?          ?        292.5730 7.077423 ?        ?        ?         ?        
1 1 1 5  4  16 o 312.7856 7.436245 983.1396   46.51900 983.1396   46.51900 ?          ?        312.7856 7.436245 ?        ?        ?         ?        
1 1 1 5  4  17 o 145.2714 6.248223 212.1721   18.15376 212.1721   18.15376 ?          ?        145.2714 6.248223 ?        ?        ?         ?        
1 1 1 5  4  18 o 96.51867 7.640972 94.17262   14.74993 94.17262   14.74993 ?          ?        96.51867 7.640972 ?        ?        ?         ?        
1 1 1 5  4  19 o 118.5914 6.697174 142.3935   15.88454 142.3935   15.88454 ?          ?        118.5914 6.697174 ?        ?        ?         ?        
1 1 1 5  4  20 o 86.66960 8.836567 77.15348   15.31723 77.15348   15.31723 ?          ?        86.66960 8.836567 ?        ?        ?         ?        
1 1 1 5  5  0  o 82.58611 3.795277 68.64390   6.240355 68.64390   6.240355 68.64390   6.240355 82.58611 3.795277 82.58611 3.795277 -0.000000 0.000000 
1 1 1 5  5  1  o 820.0034 11.93411 6739.583   195.7202 6739.583   195.7202 ?          ?        820.0034 11.93411 ?        ?        ?         ?        
1 1 1 5  5  2  f 190.3816 3.277814 362.5079   12.48071 362.5079   12.48071 ?          ?        190.3816 3.277814 ?        ?        ?         ?        
1 1 1 5  5  3  o 1332.473 19.26534 17826.42   513.4110 17826.42   513.4110 ?          ?        1332.473 19.26534 ?        ?        ?         ?        
1 1 1 5  5  4  o 313.1476 5.163121 980.8702   32.33638 980.8702   32.33638 ?          ?        313.1476 5.163121 ?        ?        ?         ?        
1 1 1 5  5  5  o 791.9966 12.35613 6297.085   195.7202 6297.085   195.7202 ?          ?        791.9966 12.35613 ?        ?        ?         ?        
1 1 1 5  5  6  f 283.4121 5.204411 803.8712   29.49986 803.8712   29.49986 ?          ?        283.4121 5.204411 ?        ?        ?         ?        
1 1 1 5  5  7  o 351.6365 5.807980 1237.859   40.84595 1237.859   40.84595 ?          ?        351.6365 5.807980 ?        ?        ?         ?        
1 1 1 5  5  8  o 234.2751 3.874453 549.1512   18.15376 549.1512   18.15376 ?          ?        234.2751 3.874453 ?        ?        ?         ?        
1 1 1 5  5  9  o 459.8154 9.253251 2119.451   85.09574 2119.451   85.09574 ?          ?        459.8154 9.253251 ?        ?        ?         ?        
1 1 1 5  5  10 o 402.9193 8.166322 1625.329   65.80738 1625.329   65.80738 ?          ?        402.9193 8.166322 ?        ?        ?         ?        
1 1 1 5  5  11 o 353.5980 9.305396 1252.609   65.80738 1252.609   65.80738 ?          ?        353.5980 9.305396 ?        ?        ?         ?        
1 1 1 5  5  12 o 343.4187 7.681492 1181.129   52.75936 1181.129   52.75936 ?          ?        343.4187 7.681492 ?        ?        ?         ?        
1 1 1 5  5  13 o 450.5521 10.70263 2037.192   96.44185 2037.192   96.44185 ?          ?        450.5521 10.70263 ?        ?        ?         ?        
1 1 1 5  5  14 o 135.2864 5.661039 183.2395   15.31723 183.2395   15.31723 ?          ?        135.2864 5.661039 ?        ?        ?         ?        
1 1 1 5  5  15 o 514.9938 12.17242 2673.708   125.3744 2673.708   125.3744 ?          ?        514.9938 12.17242 ?        ?        ?         ?        
1 1 1 5  5  16 o 254.9711 7.008679 652.9680   35.74022 652.9680   35.74022 ?          ?        254.9711 7.008679 ?        ?        ?         ?        
1 1 1 5  5  17 o 445.3444 12.86596 2029.250   114.5956 2029.250   114.5956 ?          ?        445.3444 12.86596 ?        ?        ?         ?        
1 1 1 5  5  18 o 176.0152 6.123785 312.0177   21.55759 312.0177   21.55759 ?          ?        176.0152 6.123785 ?        ?        ?         ?        
1 1 1 5  5  19 o 38.53889 13.01248 14.74993   11.91340 14.74993   11.91340 ?          ?        38.53889 13.01248 ?        ?        ?         ?        
1 1 1 5  5  20 o 61.78110 12.37399 41.41326   14.74993 41.41326   14.74993 ?          ?        61.78110 12.37399 ?        ?        ?         ?        
1 1 1 5  6  0  o 126.3230 3.599179 159.9800   9.076880 159.9800   9.076880 159.9800   9.076880 126.3230 3.599179 126.3230 3.599179 -0.000000 0.000000 
1 1 1 5  6  1  o 224.4236 3.665355 503.7668   16.45185 503.7668   16.45185 ?          ?        224.4236 3.665355 ?        ?        ?         ?        
1 1 1 5  6  2  o 323.2052 5.002454 1044.976   32.33638 1044.976   32.33638 ?          ?        323.2052 5.002454 ?        ?        ?         ?        
1 1 1 5  6  3  o 591.8284 8.722926 3505.377   103.2495 3505.377   103.2495 ?          ?        591.8284 8.722926 ?        ?        ?         ?        
1 1 1 5  6  4  o 495.8851 7.378961 2460.402   73.18234 2460.402   73.18234 ?          ?        495.8851 7.378961 ?        ?        ?         ?        
1 1 1 5  6  5  o 764.8784 11.94126 5872.174   182.6722 5872.174   182.6722 ?          ?        764.8784 11.94126 ?        ?        ?         ?        
1 1 1 5  6  6  o 95.26217 2.679839 90.76879   5.105744 90.76879   5.105744 ?          ?        95.26217 2.679839 ?        ?        ?         ?        
1 1 1 5  6  7  o 561.4785 9.598582 3162.158   107.7879 3162.158   107.7879 ?          ?        561.4785 9.598582 ?        ?        ?         ?        
1 1 1 5  6  8  o 174.9886 3.404052 306.3447   11.91340 306.3447   11.91340 ?          ?        174.9886 3.404052 ?        ?        ?         ?        
1 1 1 5  6  9  o 391.9020 8.540654 1539.098   66.94199 1539.098   66.94199 ?          ?        391.9020 8.540654 ?        ?        ?         ?        
1 1 1 5  6  10 o 369.5504 8.059391 1367.205   59.56702 1367.205   59.56702 ?          ?        369.5504 8.059391 ?        ?        ?         ?        
1 1 1 5  6  11 o 515.2739 13.15668 2664.632   135.5859 2664.632   135.5859 ?          ?        515.2739 13.15668 ?        ?        ?         ?        
1 1 1 5  6  12 f 276.9999 6.553707 768.1308   36.30752 768.1308   36.30752 ?          ?        276.9999 6.553707 ?        ?        ?         ?        
1 1 1 5  6  13 o 210.1100 5.805081 441.9306   24.39412 441.9306   24.39412 ?          ?        210.1100 5.805081 ?        ?        ?         ?        
1 1 1 5  6  14 o 279.3276 7.209930 781.7462   40.27865 781.7462   40.27865 ?          ?        279.3276 7.209930 ?        ?        ?         ?        
1 1 1 5  6  15 f 110.8381 6.141985 123.1052   13.61532 123.1052   13.61532 ?          ?        110.8381 6.141985 ?        ?        ?         ?        
1 1 1 5  6  16 f 339.6121 9.020430 1161.841   61.26894 1161.841   61.26894 ?          ?        339.6121 9.020430 ?        ?        ?         ?        
1 1 1 5  6  17 o 209.1025 6.240009 439.6613   26.09603 439.6613   26.09603 ?          ?        209.1025 6.240009 ?        ?        ?         ?        
1 1 1 5  6  18 o 187.1464 6.214254 352.8637   23.25950 352.8637   23.25950 ?          ?        187.1464 6.214254 ?        ?        ?         ?        
1 1 1 5  6  19 o 65.88104 16.05491 48.22092   20.99029 48.22092   20.99029 ?          ?        65.88104 16.05491 ?        ?        ?         ?        
1 1 1 5  6  20 o 72.22406 9.818490 53.89397   14.18262 53.89397   14.18262 ?          ?        72.22406 9.818490 ?        ?        ?         ?        
1 1 1 5  7  0  o 22.33155 10.88410 7.374964   5.673049 7.374964   5.673049 7.374964   5.673049 22.33155 10.88410 22.33155 10.88410 -0.000000 0.000000 
1 1 1 5  7  1  o 341.3686 5.234842 1165.812   35.74022 1165.812   35.74022 ?          ?        341.3686 5.234842 ?        ?        ?         ?        
1 1 1 5  7  2  o 267.9630 4.234204 718.2081   22.69220 718.2081   22.69220 ?          ?        267.9630 4.234204 ?        ?        ?         ?        
1 1 1 5  7  3  o 943.7964 13.76492 8924.274   259.8257 8924.274   259.8257 ?          ?        943.7964 13.76492 ?        ?        ?         ?        
1 1 1 5  7  4  o 528.3443 7.838310 2793.410   82.82652 2793.410   82.82652 ?          ?        528.3443 7.838310 ?        ?        ?         ?        
1 1 1 5  7  5  o 507.6808 8.101470 2581.805   82.25922 2581.805   82.25922 ?          ?        507.6808 8.101470 ?        ?        ?         ?        
1 1 1 5  7  6  o 439.7240 6.579708 1936.212   57.86510 1936.212   57.86510 ?          ?        439.7240 6.579708 ?        ?        ?         ?        
1 1 1 5  7  7  o 246.8705 4.481072 609.8528   22.12490 609.8528   22.12490 ?          ?        246.8705 4.481072 ?        ?        ?         ?        
1 1 1 5  7  8  o 310.4016 4.934651 964.4185   30.63447 964.4185   30.63447 ?          ?        310.4016 4.934651 ?        ?        ?         ?        
1 1 1 5  7  9  o 713.9556 15.25621 5131.840   217.8451 5131.840   217.8451 ?          ?        713.9556 15.25621 ?        ?        ?         ?        
1 1 1 5  7  10 o 534.2966 12.26355 2862.054   131.0475 2862.054   131.0475 ?          ?        534.2966 12.26355 ?        ?        ?         ?        
1 1 1 5  7  11 f 656.3032 16.55316 4331.374   217.2778 4331.374   217.2778 ?          ?        656.3032 16.55316 ?        ?        ?         ?        
1 1 1 5  7  12 o 458.5790 10.76271 2109.240   98.71106 2109.240   98.71106 ?          ?        458.5790 10.76271 ?        ?        ?         ?        
1 1 1 5  7  13 o 328.7942 9.403488 1084.120   61.83624 1084.120   61.83624 ?          ?        328.7942 9.403488 ?        ?        ?         ?        
1 1 1 5  7  14 o 96.68047 6.161225 93.60532   11.91340 93.60532   11.91340 ?          ?        96.68047 6.161225 ?        ?        ?         ?        
1 1 1 5  7  15 o 261.6639 6.829413 686.4390   35.74022 686.4390   35.74022 ?          ?        261.6639 6.829413 ?        ?        ?         ?        
1 1 1 5  7  16 o 112.7787 6.287811 127.6436   14.18262 127.6436   14.18262 ?          ?        112.7787 6.287811 ?        ?        ?         ?        
1 1 1 5  7  17 o 174.2779 6.835865 305.7773   23.82681 305.7773   23.82681 ?          ?        174.2779 6.835865 ?        ?        ?         ?        
1 1 1 5  7  18 o 32.37463 12.67549 6.807660   11.91340 6.807660   11.91340 ?          ?        32.37463 12.67549 ?        ?        ?         ?        
1 1 1 5  7  19 o 131.2640 7.131073 174.7299   18.72106 174.7299   18.72106 ?          ?        131.2640 7.131073 ?        ?        ?         ?        
1 1 1 5  8  0  o 64.32924 4.452528 41.98057   5.673049 41.98057   5.673049 41.98057   5.673049 64.32924 4.452528 64.32924 4.452528 -0.000000 0.000000 
1 1 1 5  8  1  o 501.7926 7.461673 2519.969   74.88425 2519.969   74.88425 ?          ?        501.7926 7.461673 ?        ?        ?         ?        
1 1 1 5  8  2  o 88.15494 2.895892 77.72078   5.105744 77.72078   5.105744 ?          ?        88.15494 2.895892 ?        ?        ?         ?        
1 1 1 5  8  3  o 390.5082 5.956214 1525.483   46.51900 1525.483   46.51900 ?          ?        390.5082 5.956214 ?        ?        ?         ?        
1 1 1 5  8  4  o 176.4678 3.214778 311.4504   11.34610 311.4504   11.34610 ?          ?        176.4678 3.214778 ?        ?        ?         ?        
1 1 1 5  8  5  o 133.4517 2.975709 178.1338   7.942269 178.1338   7.942269 ?          ?        133.4517 2.975709 ?        ?        ?         ?        
1 1 1 5  8  6  o 333.1248 5.449536 1110.783   36.30752 1110.783   36.30752 ?          ?        333.1248 5.449536 ?        ?        ?         ?        
1 1 1 5  8  7  o 204.8482 3.600210 419.8057   14.74993 419.8057   14.74993 ?          ?        204.8482 3.600210 ?        ?        ?         ?        
1 1 1 5  8  8  o 207.9975 3.545699 432.8537   14.74993 432.8537   14.74993 ?          ?        207.9975 3.545699 ?        ?        ?         ?        
1 1 1 5  8  9  o 603.6036 14.05096 3664.223   169.6242 3664.223   169.6242 ?          ?        603.6036 14.05096 ?        ?        ?         ?        
1 1 1 5  8  10 f 691.8690 15.90723 4807.342   220.1143 4807.342   220.1143 ?          ?        691.8690 15.90723 ?        ?        ?         ?        
1 1 1 5  8  11 o 417.8011 9.912195 1749.001   82.82652 1749.001   82.82652 ?          ?        417.8011 9.912195 ?        ?        ?         ?        
1 1 1 5  8  12 o 461.4533 12.90857 2138.740   119.1340 2138.740   119.1340 ?          ?        461.4533 12.90857 ?        ?        ?         ?        
1 1 1 5  8  13 o 833.4291 25.93420 7099.254   432.2864 7099.254   432.2864 ?          ?        833.4291 25.93420 ?        ?        ?         ?        
1 1 1 5  8  14 o 365.8564 9.691388 1343.378   70.91312 1343.378   70.91312 ?          ?        365.8564 9.691388 ?        ?        ?         ?        
1 1 1 5  8  15 o 133.3157 6.383024 178.1338   17.01915 178.1338   17.01915 ?          ?        133.3157 6.383024 ?        ?        ?         ?        
1 1 1 5  8  16 o 248.4964 7.533738 620.6317   37.44213 620.6317   37.44213 ?          ?        248.4964 7.533738 ?        ?        ?         ?        
1 1 1 5  8  17 o 417.3066 11.21541 1773.395   93.60532 1773.395   93.60532 ?          ?        417.3066 11.21541 ?        ?        ?         ?        
1 1 1 5  8  18 o 91.06019 7.787500 83.96114   14.18262 83.96114   14.18262 ?          ?        91.06019 7.787500 ?        ?        ?         ?        
1 1 1 5  8  19 o 82.82684 7.876683 69.77851   13.04801 69.77851   13.04801 ?          ?        82.82684 7.876683 ?        ?        ?         ?        
1 1 1 5  9  0  o 522.0886 10.87658 2731.573   113.4610 2731.573   113.4610 2731.573   113.4610 522.0886 10.87658 522.0886 10.87658 -0.000000 0.000000 
1 1 1 5  9  1  o 1300.129 18.82830 16982.84   489.5842 16982.84   489.5842 ?          ?        1300.129 18.82830 ?        ?        ?         ?        
1 1 1 5  9  2  o 389.5536 5.897995 1518.108   45.95170 1518.108   45.95170 ?          ?        389.5536 5.897995 ?        ?        ?         ?        
1 1 1 5  9  3  o 456.5618 6.896203 2085.413   62.97085 2085.413   62.97085 ?          ?        456.5618 6.896203 ?        ?        ?         ?        
1 1 1 5  9  4  o 203.7620 3.480194 415.2672   14.18262 415.2672   14.18262 ?          ?        203.7620 3.480194 ?        ?        ?         ?        
1 1 1 5  9  5  o 564.9047 8.385480 3196.763   94.73994 3196.763   94.73994 ?          ?        564.9047 8.385480 ?        ?        ?         ?        
1 1 1 5  9  6  o 139.2663 3.258821 194.0183   9.076880 194.0183   9.076880 ?          ?        139.2663 3.258821 ?        ?        ?         ?        
1 1 1 5  9  7  o 272.4101 4.685715 742.6021   25.52872 742.6021   25.52872 ?          ?        272.4101 4.685715 ?        ?        ?         ?        
1 1 1 5  9  8  o 116.3989 4.142730 135.5859   9.644185 135.5859   9.644185 ?          ?        116.3989 4.142730 ?        ?        ?         ?        
1 1 1 5  9  9  o 408.4887 9.652089 1672.982   78.85539 1672.982   78.85539 ?          ?        408.4887 9.652089 ?        ?        ?         ?        
1 1 1 5  9  10 o 525.1682 12.26067 2765.044   128.7782 2765.044   128.7782 ?          ?        525.1682 12.26067 ?        ?        ?         ?        
1 1 1 5  9  11 o 730.9875 20.76015 5388.830   303.5081 5388.830   303.5081 ?          ?        730.9875 20.76015 ?        ?        ?         ?        
1 1 1 5  9  12 o 668.5599 18.49834 4511.209   247.3450 4511.209   247.3450 ?          ?        668.5599 18.49834 ?        ?        ?         ?        
1 1 1 5  9  13 o 354.3761 10.56565 1260.552   74.88425 1260.552   74.88425 ?          ?        354.3761 10.56565 ?        ?        ?         ?        
1 1 1 5  9  14 o 356.5438 9.546738 1275.869   68.07660 1275.869   68.07660 ?          ?        356.5438 9.546738 ?        ?        ?         ?        
1 1 1 5  9  15 o 227.0905 8.743507 517.9495   39.71135 517.9495   39.71135 ?          ?        227.0905 8.743507 ?        ?        ?         ?        
1 1 1 5  9  16 o 268.1843 8.567188 723.8811   45.95170 723.8811   45.95170 ?          ?        268.1843 8.567188 ?        ?        ?         ?        
1 1 1 5  9  17 o 212.6648 8.669706 457.2478   36.87482 457.2478   36.87482 ?          ?        212.6648 8.669706 ?        ?        ?         ?        
1 1 1 5  9  18 o 54.62110 17.22591 31.76908   20.99029 31.76908   20.99029 ?          ?        54.62110 17.22591 ?        ?        ?         ?        
1 1 1 5  9  19 o 207.0155 8.906293 437.9594   36.87482 437.9594   36.87482 ?          ?        207.0155 8.906293 ?        ?        ?         ?        
1 1 1 5  10 0  o 47.37948 6.804658 23.25950   6.240355 23.25950   6.240355 23.25950   6.240355 47.37948 6.804658 47.37948 6.804658 -0.000000 0.000000 
1 1 1 5  10 1  o 570.5420 8.501492 3258.032   97.00916 3258.032   97.00916 ?          ?        570.5420 8.501492 ?        ?        ?         ?        
1 1 1 5  10 2  o 659.6603 10.36295 4356.335   136.7205 4356.335   136.7205 ?          ?        659.6603 10.36295 ?        ?        ?         ?        
1 1 1 5  10 3  o 449.5538 6.814416 2021.875   61.26894 2021.875   61.26894 ?          ?        449.5538 6.814416 ?        ?        ?         ?        
1 1 1 5  10 4  o 356.2174 5.414774 1269.628   38.57674 1269.628   38.57674 ?          ?        356.2174 5.414774 ?        ?        ?         ?        
1 1 1 5  10 5  f 520.0731 7.799348 2708.881   81.12460 2708.881   81.12460 ?          ?        520.0731 7.799348 ?        ?        ?         ?        
1 1 1 5  10 6  o 359.3877 5.524861 1292.888   39.71135 1292.888   39.71135 ?          ?        359.3877 5.524861 ?        ?        ?         ?        
1 1 1 5  10 7  o 142.4819 3.583434 203.0952   10.21149 203.0952   10.21149 ?          ?        142.4819 3.583434 ?        ?        ?         ?        
1 1 1 5  10 8  o 321.4396 5.912375 1034.764   38.00943 1034.764   38.00943 ?          ?        321.4396 5.912375 ?        ?        ?         ?        
1 1 1 5  10 9  o 171.0344 5.141204 292.7294   17.58645 292.7294   17.58645 ?          ?        171.0344 5.141204 ?        ?        ?         ?        
1 1 1 5  10 10 o 309.4857 7.515534 958.7454   46.51900 958.7454   46.51900 ?          ?        309.4857 7.515534 ?        ?        ?         ?        
1 1 1 5  10 11 o 866.2782 24.62334 7594.511   426.6133 7594.511   426.6133 ?          ?        866.2782 24.62334 ?        ?        ?         ?        
1 1 1 5  10 12 o 402.3184 10.50517 1623.627   84.52843 1623.627   84.52843 ?          ?        402.3184 10.50517 ?        ?        ?         ?        
1 1 1 5  10 13 o 231.4289 7.599074 536.6705   35.17290 536.6705   35.17290 ?          ?        231.4289 7.599074 ?        ?        ?         ?        
1 1 1 5  10 14 o 178.9929 7.289681 321.0946   26.09603 321.0946   26.09603 ?          ?        178.9929 7.289681 ?        ?        ?         ?        
1 1 1 5  10 15 o 372.2815 11.12418 1396.138   82.82652 1396.138   82.82652 ?          ?        372.2815 11.12418 ?        ?        ?         ?        
1 1 1 5  10 16 o 183.7062 7.720277 339.2484   28.36525 339.2484   28.36525 ?          ?        183.7062 7.720277 ?        ?        ?         ?        
1 1 1 5  10 17 o 157.9152 9.160789 252.4507   28.93255 252.4507   28.93255 ?          ?        157.9152 9.160789 ?        ?        ?         ?        
1 1 1 5  10 18 o 143.7640 9.075996 210.4701   26.09603 210.4701   26.09603 ?          ?        143.7640 9.075996 ?        ?        ?         ?        
1 1 1 5  10 19 o 106.2495 11.21267 116.8648   23.82681 116.8648   23.82681 ?          ?        106.2495 11.21267 ?        ?        ?         ?        
1 1 1 5  11 0  f 294.1655 6.564248 866.8420   38.57674 866.8420   38.57674 866.8420   38.57674 294.1655 6.564248 294.1655 6.564248 -0.000000 0.000000 
1 1 1 5  11 1  o 398.0465 6.057197 1585.050   48.22092 1585.050   48.22092 ?          ?        398.0465 6.057197 ?        ?        ?         ?        
1 1 1 5  11 2  f 632.3375 9.958425 4002.337   125.9417 4002.337   125.9417 ?          ?        632.3375 9.958425 ?        ?        ?         ?        
1 1 1 5  11 3  o 287.5686 4.537358 827.1306   26.09603 827.1306   26.09603 ?          ?        287.5686 4.537358 ?        ?        ?         ?        
1 1 1 5  11 4  o 202.9149 3.494723 411.8634   14.18262 411.8634   14.18262 ?          ?        202.9149 3.494723 ?        ?        ?         ?        
1 1 1 5  11 5  o 451.4530 6.848580 2040.596   61.83624 2040.596   61.83624 ?          ?        451.4530 6.848580 ?        ?        ?         ?        
1 1 1 5  11 6  o 330.6631 5.146976 1094.331   34.03830 1094.331   34.03830 ?          ?        330.6631 5.146976 ?        ?        ?         ?        
1 1 1 5  11 7  o 408.8543 6.798985 1674.117   55.59589 1674.117   55.59589 ?          ?        408.8543 6.798985 ?        ?        ?         ?        
1 1 1 5  11 8  o 231.2950 5.150740 535.5359   23.82681 535.5359   23.82681 ?          ?        231.2950 5.150740 ?        ?        ?         ?        
1 1 1 5  11 9  o 199.7728 5.537514 399.3827   22.12490 399.3827   22.12490 ?          ?        199.7728 5.537514 ?        ?        ?         ?        
1 1 1 5  11 10 o 278.5603 7.026135 776.6405   39.14404 776.6405   39.14404 ?          ?        278.5603 7.026135 ?        ?        ?         ?        
1 1 1 5  11 11 o 291.6430 7.489033 851.5248   43.68248 851.5248   43.68248 ?          ?        291.6430 7.489033 ?        ?        ?         ?        
1 1 1 5  11 12 o 215.5176 7.238800 465.1901   31.20177 465.1901   31.20177 ?          ?        215.5176 7.238800 ?        ?        ?         ?        
1 1 1 5  11 13 o 447.4472 14.26354 2016.769   127.6436 2016.769   127.6436 ?          ?        447.4472 14.26354 ?        ?        ?         ?        
1 1 1 5  11 14 o 420.3152 12.07993 1777.934   101.5476 1777.934   101.5476 ?          ?        420.3152 12.07993 ?        ?        ?         ?        
1 1 1 5  11 15 o 225.3147 8.560637 510.0071   38.57674 510.0071   38.57674 ?          ?        225.3147 8.560637 ?        ?        ?         ?        
1 1 1 5  11 16 o 195.7041 7.971671 385.2001   31.20177 385.2001   31.20177 ?          ?        195.7041 7.971671 ?        ?        ?         ?        
1 1 1 5  11 17 f 124.9707 9.532961 158.2781   23.82681 158.2781   23.82681 ?          ?        124.9707 9.532961 ?        ?        ?         ?        
1 1 1 5  11 18 o 103.3608 11.52603 110.0572   23.82681 110.0572   23.82681 ?          ?        103.3608 11.52603 ?        ?        ?         ?        
1 1 1 5  11 19 o 59.28834 18.02174 39.14404   23.25950 39.14404   23.25950 ?          ?        59.28834 18.02174 ?        ?        ?         ?        
1 1 1 5  12 0  o 442.1309 9.376132 1958.337   82.82652 1958.337   82.82652 1958.337   82.82652 442.1309 9.376132 442.1309 9.376132 -0.000000 0.000000 
1 1 1 5  12 1  o 650.1951 9.684916 4231.528   125.9417 4231.528   125.9417 ?          ?        650.1951 9.684916 ?        ?        ?         ?        
1 1 1 5  12 2  o 660.7629 9.744662 4369.950   128.7782 4369.950   128.7782 ?          ?        660.7629 9.744662 ?        ?        ?         ?        
1 1 1 5  12 3  o 101.0461 3.087875 102.1149   6.240355 102.1149   6.240355 ?          ?        101.0461 3.087875 ?        ?        ?         ?        
1 1 1 5  12 4  o 705.8960 10.36730 4996.822   146.3647 4996.822   146.3647 ?          ?        705.8960 10.36730 ?        ?        ?         ?        
1 1 1 5  12 5  o 195.0693 3.635278 380.6616   14.18262 380.6616   14.18262 ?          ?        195.0693 3.635278 ?        ?        ?         ?        
1 1 1 5  12 6  o 125.5623 3.162681 157.7108   7.942269 157.7108   7.942269 ?          ?        125.5623 3.162681 ?        ?        ?         ?        
1 1 1 5  12 7  o 430.6273 6.982178 1857.356   60.13433 1857.356   60.13433 ?          ?        430.6273 6.982178 ?        ?        ?         ?        
1 1 1 5  12 8  o 62.99884 4.052253 39.71135   5.105744 39.71135   5.105744 ?          ?        62.99884 4.052253 ?        ?        ?         ?        
1 1 1 5  12 9  o 277.9269 6.940088 773.2368   38.57674 773.2368   38.57674 ?          ?        277.9269 6.940088 ?        ?        ?         ?        
1 1 1 5  12 10 o 249.3767 9.327056 622.9009   46.51900 622.9009   46.51900 ?          ?        249.3767 9.327056 ?        ?        ?         ?        
1 1 1 5  12 11 o 457.2722 10.85550 2096.192   99.27837 2096.192   99.27837 ?          ?        457.2722 10.85550 ?        ?        ?         ?        
1 1 1 5  12 12 f 189.6585 7.029302 360.2386   26.66333 360.2386   26.66333 ?          ?        189.6585 7.029302 ?        ?        ?         ?        
1 1 1 5  12 13 o 589.7974 18.75635 3524.098   221.2489 3524.098   221.2489 ?          ?        589.7974 18.75635 ?        ?        ?         ?        
1 1 1 5  12 14 o 490.5975 14.04972 2428.633   137.8551 2428.633   137.8551 ?          ?        490.5975 14.04972 ?        ?        ?         ?        
1 1 1 5  12 15 o 304.6068 9.312086 933.2167   56.73050 933.2167   56.73050 ?          ?        304.6068 9.312086 ?        ?        ?         ?        
1 1 1 5  12 16 o 49.34597 17.44579 22.12490   21.55759 22.12490   21.55759 ?          ?        49.34597 17.44579 ?        ?        ?         ?        
1 1 1 5  12 17 o 276.1339 9.142328 772.1021   50.49014 772.1021   50.49014 ?          ?        276.1339 9.142328 ?        ?        ?         ?        
1 1 1 5  12 18 o 34.71418 15.26133 -3.403830  20.42298 -3.403830  20.42298 ?          ?        34.71418 15.26133 ?        ?        ?         ?        
1 1 1 5  12 19 o 56.15435 21.28727 30.06716   32.90369 30.06716   32.90369 ?          ?        56.15435 21.28727 ?        ?        ?         ?        
1 1 1 5  13 0  o 86.10170 4.976274 74.88425   8.509575 74.88425   8.509575 74.88425   8.509575 86.10170 4.976274 86.10170 4.976274 -0.000000 0.000000 
1 1 1 5  13 1  o 988.9662 14.36954 9799.627   284.2198 9799.627   284.2198 ?          ?        988.9662 14.36954 ?        ?        ?         ?        
1 1 1 5  13 2  o 756.2076 11.06541 5725.242   167.3549 5725.242   167.3549 ?          ?        756.2076 11.06541 ?        ?        ?         ?        
1 1 1 5  13 3  o 604.9436 9.002704 3664.223   108.9226 3664.223   108.9226 ?          ?        604.9436 9.002704 ?        ?        ?         ?        
1 1 1 5  13 4  o 203.0410 4.051361 412.4307   16.45185 412.4307   16.45185 ?          ?        203.0410 4.051361 ?        ?        ?         ?        
1 1 1 5  13 5  o 324.8664 5.413443 1056.322   35.17290 1056.322   35.17290 ?          ?        324.8664 5.413443 ?        ?        ?         ?        
1 1 1 5  13 6  o 146.2149 3.491946 213.8740   10.21149 213.8740   10.21149 ?          ?        146.2149 3.491946 ?        ?        ?         ?        
1 1 1 5  13 7  o 300.5456 5.757131 904.2841   34.60560 904.2841   34.60560 ?          ?        300.5456 5.757131 ?        ?        ?         ?        
1 1 1 5  13 8  o 192.4240 3.980073 370.4502   15.31723 370.4502   15.31723 ?          ?        192.4240 3.980073 ?        ?        ?         ?        
1 1 1 5  13 9  o 115.8988 6.852763 134.4513   15.88454 134.4513   15.88454 ?          ?        115.8988 6.852763 ?        ?        ?         ?        
1 1 1 5  13 10 o 413.9261 12.12934 1718.367   100.4130 1718.367   100.4130 ?          ?        413.9261 12.12934 ?        ?        ?         ?        
1 1 1 5  13 11 o 467.6202 14.67941 2197.172   137.2878 2197.172   137.2878 ?          ?        467.6202 14.67941 ?        ?        ?         ?        
1 1 1 5  13 12 o 688.7764 24.79161 4832.871   341.5176 4832.871   341.5176 ?          ?        688.7764 24.79161 ?        ?        ?         ?        
1 1 1 5  13 13 o 479.6317 13.72040 2316.873   131.6148 2316.873   131.6148 ?          ?        479.6317 13.72040 ?        ?        ?         ?        
1 1 1 5  13 14 o 499.8054 15.94748 2527.911   159.4127 2527.911   159.4127 ?          ?        499.8054 15.94748 ?        ?        ?         ?        
1 1 1 5  13 15 o 399.9924 11.70089 1615.117   93.60532 1615.117   93.60532 ?          ?        399.9924 11.70089 ?        ?        ?         ?        
1 1 1 5  13 16 o 320.7750 9.726997 1039.303   62.40355 1039.303   62.40355 ?          ?        320.7750 9.726997 ?        ?        ?         ?        
1 1 1 5  13 17 o 64.77794 16.57159 45.38440   21.55759 45.38440   21.55759 ?          ?        64.77794 16.57159 ?        ?        ?         ?        
1 1 1 5  13 18 o 59.40807 21.66405 34.60560   33.47099 34.60560   33.47099 ?          ?        59.40807 21.66405 ?        ?        ?         ?        
1 1 1 5  13 19 o 148.0896 9.385517 225.2201   27.79794 225.2201   27.79794 ?          ?        148.0896 9.385517 ?        ?        ?         ?        
1 1 1 5  14 0  o 12.14331 8.439160 -5.105744  6.807660 -5.105744  6.807660 -5.105744  6.807660 12.14331 8.439160 12.14331 8.439160 -0.000000 0.000000 
1 1 1 5  14 1  o 717.5688 10.63348 5154.533   152.6050 5154.533   152.6050 ?          ?        717.5688 10.63348 ?        ?        ?         ?        
1 1 1 5  14 2  o 812.8787 11.93403 6618.180   194.0183 6618.180   194.0183 ?          ?        812.8787 11.93403 ?        ?        ?         ?        
1 1 1 5  14 3  f 433.5195 6.673876 1881.183   57.86510 1881.183   57.86510 ?          ?        433.5195 6.673876 ?        ?        ?         ?        
1 1 1 5  14 4  o 767.1882 11.31374 5904.510   173.5953 5904.510   173.5953 ?          ?        767.1882 11.31374 ?        ?        ?         ?        
1 1 1 5  14 5  o 494.6615 7.511901 2451.325   74.31695 2451.325   74.31695 ?          ?        494.6615 7.511901 ?        ?        ?         ?        
1 1 1 5  14 6  o 388.8168 5.982123 1513.569   46.51900 1513.569   46.51900 ?          ?        388.8168 5.982123 ?        ?        ?         ?        
1 1 1 5  14 7  o 303.7289 5.696791 923.5726   34.60560 923.5726   34.60560 ?          ?        303.7289 5.696791 ?        ?        ?         ?        
1 1 1 5  14 8  f 421.4022 6.529223 1777.934   55.02858 1777.934   55.02858 ?          ?        421.4022 6.529223 ?        ?        ?         ?        
1 1 1 5  14 9  f 378.8564 9.059358 1437.551   68.64390 1437.551   68.64390 ?          ?        378.8564 9.059358 ?        ?        ?         ?        
1 1 1 5  14 10 o 495.1734 12.77421 2460.402   126.5090 2460.402   126.5090 ?          ?        495.1734 12.77421 ?        ?        ?         ?        
1 1 1 5  14 11 o 260.0999 7.306698 677.3621   38.00943 677.3621   38.00943 ?          ?        260.0999 7.306698 ?        ?        ?         ?        
1 1 1 5  14 12 o 811.9607 29.48452 6766.246   478.8054 6766.246   478.8054 ?          ?        811.9607 29.48452 ?        ?        ?         ?        
1 1 1 5  14 13 f 308.8248 8.725654 956.4762   53.89397 956.4762   53.89397 ?          ?        308.8248 8.725654 ?        ?        ?         ?        
1 1 1 5  14 14 o 368.5873 10.92785 1366.070   80.55730 1366.070   80.55730 ?          ?        368.5873 10.92785 ?        ?        ?         ?        
1 1 1 5  14 15 o 173.3040 8.347342 301.8062   28.93255 301.8062   28.93255 ?          ?        173.3040 8.347342 ?        ?        ?         ?        
1 1 1 5  14 16 o 174.6790 8.119248 307.4793   28.36525 307.4793   28.36525 ?          ?        174.6790 8.119248 ?        ?        ?         ?        
1 1 1 5  14 17 o 144.9023 12.91978 215.5759   37.44213 215.5759   37.44213 ?          ?        144.9023 12.91978 ?        ?        ?         ?        
1 1 1 5  14 18 o 163.3444 9.550915 272.3064   31.20177 272.3064   31.20177 ?          ?        163.3444 9.550915 ?        ?        ?         ?        
1 1 1 5  14 19 o 26.31975 12.92091 -43.11518  23.25950 -43.11518  23.25950 ?          ?        26.31975 12.92091 ?        ?        ?         ?        
1 1 1 5  15 0  o 729.5982 15.17701 5336.070   221.2489 5336.070   221.2489 5336.070   221.2489 729.5982 15.17701 729.5982 15.17701 -0.000000 0.000000 
1 1 1 5  15 1  o 220.7349 3.855111 487.3149   17.01915 487.3149   17.01915 ?          ?        220.7349 3.855111 ?        ?        ?         ?        
1 1 1 5  15 2  o 112.7193 3.271385 127.0763   7.374964 127.0763   7.374964 ?          ?        112.7193 3.271385 ?        ?        ?         ?        
1 1 1 5  15 3  o 108.0903 3.149063 116.8648   6.807660 116.8648   6.807660 ?          ?        108.0903 3.149063 ?        ?        ?         ?        
1 1 1 5  15 4  o 248.2496 4.913222 616.6605   24.39412 616.6605   24.39412 ?          ?        248.2496 4.913222 ?        ?        ?         ?        
1 1 1 5  15 5  f 176.7647 3.530317 312.5851   12.48071 312.5851   12.48071 ?          ?        176.7647 3.530317 ?        ?        ?         ?        
1 1 1 5  15 6  o 494.0281 7.464115 2445.084   73.74965 2445.084   73.74965 ?          ?        494.0281 7.464115 ?        ?        ?         ?        
1 1 1 5  15 7  o 347.6603 5.466462 1210.061   38.00943 1210.061   38.00943 ?          ?        347.6603 5.466462 ?        ?        ?         ?        
1 1 1 5  15 8  o 408.3593 8.891071 1671.281   72.61504 1671.281   72.61504 ?          ?        408.3593 8.891071 ?        ?        ?         ?        
1 1 1 5  15 9  o 455.8174 9.956707 2081.442   90.76879 2081.442   90.76879 ?          ?        455.8174 9.956707 ?        ?        ?         ?        
1 1 1 5  15 10 f 673.2587 17.06317 4561.699   229.7585 4561.699   229.7585 ?          ?        673.2587 17.06317 ?        ?        ?         ?        
1 1 1 5  15 11 f 99.29211 7.141868 98.71106   14.18262 98.71106   14.18262 ?          ?        99.29211 7.141868 ?        ?        ?         ?        
1 1 1 5  15 12 o 424.7505 13.69010 1814.241   116.2975 1814.241   116.2975 ?          ?        424.7505 13.69010 ?        ?        ?         ?        
1 1 1 5  15 13 o 243.2299 7.463623 592.8337   36.30752 592.8337   36.30752 ?          ?        243.2299 7.463623 ?        ?        ?         ?        
1 1 1 5  15 14 o 347.4787 10.61211 1213.465   73.74965 1213.465   73.74965 ?          ?        347.4787 10.61211 ?        ?        ?         ?        
1 1 1 5  15 15 o 318.4402 10.06554 1021.149   64.10546 1021.149   64.10546 ?          ?        318.4402 10.06554 ?        ?        ?         ?        
1 1 1 5  15 16 o 390.0779 15.12511 1564.627   117.9994 1564.627   117.9994 ?          ?        390.0779 15.12511 ?        ?        ?         ?        
1 1 1 5  15 17 o 230.9572 8.351493 539.5070   38.57674 539.5070   38.57674 ?          ?        230.9572 8.351493 ?        ?        ?         ?        
1 1 1 5  15 18 o 321.7269 11.63786 1068.235   74.88425 1068.235   74.88425 ?          ?        321.7269 11.63786 ?        ?        ?         ?        
1 1 1 5  15 19 o 134.2266 10.14354 186.0760   27.23064 186.0760   27.23064 ?          ?        134.2266 10.14354 ?        ?        ?         ?        
1 1 1 5  16 0  o 100.7014 4.811977 102.1149   9.644185 102.1149   9.644185 102.1149   9.644185 100.7014 4.811977 100.7014 4.811977 -0.000000 0.000000 
1 1 1 5  16 1  o 452.3377 6.835185 2047.404   61.83624 2047.404   61.83624 ?          ?        452.3377 6.835185 ?        ?        ?         ?        
1 1 1 5  16 2  o 1110.730 17.26333 12414.33   383.4982 12414.33   383.4982 ?          ?        1110.730 17.26333 ?        ?        ?         ?        
1 1 1 5  16 3  o 515.4163 7.759747 2660.660   79.99000 2660.660   79.99000 ?          ?        515.4163 7.759747 ?        ?        ?         ?        
1 1 1 5  16 4  o 445.4391 6.750006 1986.702   60.13433 1986.702   60.13433 ?          ?        445.4391 6.750006 ?        ?        ?         ?        
1 1 1 5  16 5  o 269.6969 4.522506 727.8522   24.39412 727.8522   24.39412 ?          ?        269.6969 4.522506 ?        ?        ?         ?        
1 1 1 5  16 6  o 130.6492 3.473760 170.7588   9.076880 170.7588   9.076880 ?          ?        130.6492 3.473760 ?        ?        ?         ?        
1 1 1 5  16 7  o 91.60811 3.406006 83.96114   6.240355 83.96114   6.240355 ?          ?        91.60811 3.406006 ?        ?        ?         ?        
1 1 1 5  16 8  o 443.5762 10.29542 1973.654   91.33610 1973.654   91.33610 ?          ?        443.5762 10.29542 ?        ?        ?         ?        
1 1 1 5  16 9  o 730.1430 14.52949 5350.821   212.1721 5350.821   212.1721 ?          ?        730.1430 14.52949 ?        ?        ?         ?        
1 1 1 5  16 10 o 892.9633 20.61568 8048.355   368.1809 8048.355   368.1809 ?          ?        892.9633 20.61568 ?        ?        ?         ?        
1 1 1 5  16 11 o 249.3780 8.075824 622.9009   40.27865 622.9009   40.27865 ?          ?        249.3780 8.075824 ?        ?        ?         ?        
1 1 1 5  16 12 o 581.4740 16.29306 3407.801   189.4799 3407.801   189.4799 ?          ?        581.4740 16.29306 ?        ?        ?         ?        
1 1 1 5  16 13 o 328.2607 8.986717 1080.716   58.99971 1080.716   58.99971 ?          ?        328.2607 8.986717 ?        ?        ?         ?        
1 1 1 5  16 14 o 445.8781 12.91417 2002.586   115.1629 2002.586   115.1629 ?          ?        445.8781 12.91417 ?        ?        ?         ?        
1 1 1 5  16 15 o 247.0100 11.36861 615.5258   56.16319 615.5258   56.16319 ?          ?        247.0100 11.36861 ?        ?        ?         ?        
1 1 1 5  16 16 o 115.6403 10.54741 135.5859   24.39412 135.5859   24.39412 ?          ?        115.6403 10.54741 ?        ?        ?         ?        
1 1 1 5  16 17 o 115.3805 10.57116 135.5859   24.39412 135.5859   24.39412 ?          ?        115.3805 10.57116 ?        ?        ?         ?        
1 1 1 5  16 18 o 240.6194 11.67055 599.0740   56.16319 599.0740   56.16319 ?          ?        240.6194 11.67055 ?        ?        ?         ?        
1 1 1 5  16 19 o 217.0952 9.146070 483.9111   39.71135 483.9111   39.71135 ?          ?        217.0952 9.146070 ?        ?        ?         ?        
1 1 1 5  17 0  o 571.4451 12.02419 3273.917   137.2878 3273.917   137.2878 3273.917   137.2878 571.4451 12.02419 571.4451 12.02419 -0.000000 0.000000 
1 1 1 5  17 1  o 101.6003 3.350215 103.2495   6.807660 103.2495   6.807660 ?          ?        101.6003 3.350215 ?        ?        ?         ?        
1 1 1 5  17 2  o 675.6238 9.992141 4576.449   135.0186 4576.449   135.0186 ?          ?        675.6238 9.992141 ?        ?        ?         ?        
1 1 1 5  17 3  o 330.3510 5.237703 1092.062   34.60560 1092.062   34.60560 ?          ?        330.3510 5.237703 ?        ?        ?         ?        
1 1 1 5  17 4  o 270.8601 4.398360 734.0926   23.82681 734.0926   23.82681 ?          ?        270.8601 4.398360 ?        ?        ?         ?        
1 1 1 5  17 5  o 168.2166 3.541090 283.0852   11.91340 283.0852   11.91340 ?          ?        168.2166 3.541090 ?        ?        ?         ?        
1 1 1 5  17 6  o 258.1060 4.286010 666.5833   22.12490 666.5833   22.12490 ?          ?        258.1060 4.286010 ?        ?        ?         ?        
1 1 1 5  17 7  o 416.8252 6.464817 1740.492   53.89397 1740.492   53.89397 ?          ?        416.8252 6.464817 ?        ?        ?         ?        
1 1 1 5  17 8  o 532.5198 11.39894 2846.169   121.4033 2846.169   121.4033 ?          ?        532.5198 11.39894 ?        ?        ?         ?        
1 1 1 5  17 9  o 656.7813 13.12923 4326.268   172.4607 4326.268   172.4607 ?          ?        656.7813 13.12923 ?        ?        ?         ?        
1 1 1 5  17 10 o 265.4178 6.839693 705.1601   36.30752 705.1601   36.30752 ?          ?        265.4178 6.839693 ?        ?        ?         ?        
1 1 1 5  17 11 o 332.4631 9.726306 1107.947   64.67276 1107.947   64.67276 ?          ?        332.4631 9.726306 ?        ?        ?         ?        
1 1 1 5  17 12 o 181.2471 7.355519 329.0369   26.66333 329.0369   26.66333 ?          ?        181.2471 7.355519 ?        ?        ?         ?        
1 1 1 5  17 13 o 320.3358 8.943398 1029.091   57.29780 1029.091   57.29780 ?          ?        320.3358 8.943398 ?        ?        ?         ?        
1 1 1 5  17 14 o 152.2592 11.17775 233.1623   34.03830 233.1623   34.03830 ?          ?        152.2592 11.17775 ?        ?        ?         ?        
1 1 1 5  17 15 o 320.0197 12.94085 1035.899   82.82652 1035.899   82.82652 ?          ?        320.0197 12.94085 ?        ?        ?         ?        
1 1 1 5  17 16 o 149.9408 8.702111 226.9220   26.09603 226.9220   26.09603 ?          ?        149.9408 8.702111 ?        ?        ?         ?        
1 1 1 5  17 17 o 331.4253 11.55406 1122.697   76.58617 1122.697   76.58617 ?          ?        331.4253 11.55406 ?        ?        ?         ?        
1 1 1 5  17 18 o 134.2940 10.34966 185.5087   27.79794 185.5087   27.79794 ?          ?        134.2940 10.34966 ?        ?        ?         ?        
1 1 1 5  17 19 f 112.6914 11.32683 132.1821   25.52872 132.1821   25.52872 ?          ?        112.6914 11.32683 ?        ?        ?         ?        
1 1 1 5  18 0  o 31.08429 12.89735 13.61532   7.942269 13.61532   7.942269 13.61532   7.942269 31.08429 12.89735 31.08429 12.89735 -0.000000 0.000000 
1 1 1 5  18 1  o 88.46642 3.526963 78.28809   6.240355 78.28809   6.240355 ?          ?        88.46642 3.526963 ?        ?        ?         ?        
1 1 1 5  18 2  o 464.8167 7.567050 2163.701   70.34581 2163.701   70.34581 ?          ?        464.8167 7.567050 ?        ?        ?         ?        
1 1 1 5  18 3  o 309.6237 5.038661 959.3127   31.20177 959.3127   31.20177 ?          ?        309.6237 5.038661 ?        ?        ?         ?        
1 1 1 5  18 4  o 389.4759 5.972000 1518.675   46.51900 1518.675   46.51900 ?          ?        389.4759 5.972000 ?        ?        ?         ?        
1 1 1 5  18 5  f 111.4396 3.563487 124.2398   7.942269 124.2398   7.942269 ?          ?        111.4396 3.563487 ?        ?        ?         ?        
1 1 1 5  18 6  o 664.5969 9.859169 4431.219   131.0475 4431.219   131.0475 ?          ?        664.5969 9.859169 ?        ?        ?         ?        
1 1 1 5  18 7  o 320.9070 5.126670 1030.793   32.90369 1030.793   32.90369 ?          ?        320.9070 5.126670 ?        ?        ?         ?        
1 1 1 5  18 8  o 564.9083 13.10537 3204.706   148.0666 3204.706   148.0666 ?          ?        564.9083 13.10537 ?        ?        ?         ?        
1 1 1 5  18 9  o 396.1887 8.161864 1571.435   64.67276 1571.435   64.67276 ?          ?        396.1887 8.161864 ?        ?        ?         ?        
1 1 1 5  18 10 f 636.3954 12.70295 4063.038   161.6819 4063.038   161.6819 ?          ?        636.3954 12.70295 ?        ?        ?         ?        
1 1 1 5  18 11 o 127.9449 7.759464 163.9511   19.85567 163.9511   19.85567 ?          ?        127.9449 7.759464 ?        ?        ?         ?        
1 1 1 5  18 12 o 679.8544 17.39830 4664.949   236.5662 4664.949   236.5662 ?          ?        679.8544 17.39830 ?        ?        ?         ?        
1 1 1 5  18 13 o 625.8336 19.89721 3972.269   249.0469 3972.269   249.0469 ?          ?        625.8336 19.89721 ?        ?        ?         ?        
1 1 1 5  18 14 o 103.0170 9.912427 106.6533   20.42298 106.6533   20.42298 ?          ?        103.0170 9.912427 ?        ?        ?         ?        
1 1 1 5  18 15 o 392.9105 12.12836 1560.089   95.30723 1560.089   95.30723 ?          ?        392.9105 12.12836 ?        ?        ?         ?        
1 1 1 5  18 16 o 103.4934 11.78535 108.9226   24.39412 108.9226   24.39412 ?          ?        103.4934 11.78535 ?        ?        ?         ?        
1 1 1 5  18 17 o 171.6945 8.590799 298.4024   29.49986 298.4024   29.49986 ?          ?        171.6945 8.590799 ?        ?        ?         ?        
1 1 1 5  18 18 o 26.14654 12.87804 -47.65361  23.82681 -47.65361  23.82681 ?          ?        26.14654 12.87804 ?        ?        ?         ?        
1 1 1 5  18 19 o 75.45753 17.59838 64.67276   26.09603 64.67276   26.09603 ?          ?        75.45753 17.59838 ?        ?        ?         ?        
1 1 1 5  19 0  o 26.32322 13.58414 10.21149   9.076880 10.21149   9.076880 10.21149   9.076880 26.32322 13.58414 26.32322 13.58414 -0.000000 0.000000 
1 1 1 5  19 1  o 249.0653 4.327698 620.6317   21.55759 620.6317   21.55759 ?          ?        249.0653 4.327698 ?        ?        ?         ?        
1 1 1 5  19 2  o 502.5923 7.562677 2529.613   76.01886 2529.613   76.01886 ?          ?        502.5923 7.562677 ?        ?        ?         ?        
1 1 1 5  19 3  o 119.5465 3.321831 142.9609   7.942269 142.9609   7.942269 ?          ?        119.5465 3.321831 ?        ?        ?         ?        
1 1 1 5  19 4  o 848.2060 12.40678 7230.869   210.4701 7230.869   210.4701 ?          ?        848.2060 12.40678 ?        ?        ?         ?        
1 1 1 5  19 5  o 153.0366 3.521640 234.2970   10.77879 234.2970   10.77879 ?          ?        153.0366 3.521640 ?        ?        ?         ?        
1 1 1 5  19 6  o 233.1723 4.257725 544.0455   19.85567 544.0455   19.85567 ?          ?        233.1723 4.257725 ?        ?        ?         ?        
1 1 1 5  19 7  o 110.6724 3.844490 122.5379   8.509575 122.5379   8.509575 ?          ?        110.6724 3.844490 ?        ?        ?         ?        
1 1 1 5  19 8  o 1005.187 20.00719 10189.36   402.2192 10189.36   402.2192 ?          ?        1005.187 20.00719 ?        ?        ?         ?        
1 1 1 5  19 9  o 452.0608 11.60811 2048.538   104.9514 2048.538   104.9514 ?          ?        452.0608 11.60811 ?        ?        ?         ?        
1 1 1 5  19 10 o 416.6891 8.509117 1738.790   70.91312 1738.790   70.91312 ?          ?        416.6891 8.509117 ?        ?        ?         ?        
1 1 1 5  19 11 o 434.5992 10.37755 1894.231   90.20149 1894.231   90.20149 ?          ?        434.5992 10.37755 ?        ?        ?         ?        
1 1 1 5  19 12 o 922.1321 29.09943 8734.794   536.6705 8734.794   536.6705 ?          ?        922.1321 29.09943 ?        ?        ?         ?        
1 1 1 5  19 13 o 228.9749 7.308879 525.3243   33.47099 525.3243   33.47099 ?          ?        228.9749 7.308879 ?        ?        ?         ?        
1 1 1 5  19 14 o 462.5423 12.26493 2156.894   113.4610 2156.894   113.4610 ?          ?        462.5423 12.26493 ?        ?        ?         ?        
1 1 1 5  19 15 o 472.6371 12.42308 2261.278   117.4321 2261.278   117.4321 ?          ?        472.6371 12.42308 ?        ?        ?         ?        
1 1 1 5  19 16 o 245.0953 7.869741 605.3144   38.57674 605.3144   38.57674 ?          ?        245.0953 7.869741 ?        ?        ?         ?        
1 1 1 5  19 17 o 134.4384 9.072598 183.2395   24.39412 183.2395   24.39412 ?          ?        134.4384 9.072598 ?        ?        ?         ?        
1 1 1 5  19 18 o 264.6578 8.359812 712.5350   44.24979 712.5350   44.24979 ?          ?        264.6578 8.359812 ?        ?        ?         ?        
1 1 1 5  19 19 o 82.50690 14.99264 74.88425   23.82681 74.88425   23.82681 ?          ?        82.50690 14.99264 ?        ?        ?         ?        
1 1 1 5  20 0  o 361.0608 7.864391 1306.503   56.73050 1306.503   56.73050 1306.503   56.73050 361.0608 7.864391 361.0608 7.864391 -0.000000 0.000000 
1 1 1 5  20 1  o 279.3210 4.569782 780.6117   25.52872 780.6117   25.52872 ?          ?        279.3210 4.569782 ?        ?        ?         ?        
1 1 1 5  20 2  o 371.7307 5.722943 1383.089   42.54787 1383.089   42.54787 ?          ?        371.7307 5.722943 ?        ?        ?         ?        
1 1 1 5  20 3  o 185.9856 3.660315 346.0561   13.61532 346.0561   13.61532 ?          ?        185.9856 3.660315 ?        ?        ?         ?        
1 1 1 5  20 4  o 363.9148 5.767911 1325.792   41.98057 1325.792   41.98057 ?          ?        363.9148 5.767911 ?        ?        ?         ?        
1 1 1 5  20 5  o 160.4532 3.535640 257.5565   11.34610 257.5565   11.34610 ?          ?        160.4532 3.535640 ?        ?        ?         ?        
1 1 1 5  20 6  o 421.8561 6.925633 1783.039   58.43241 1783.039   58.43241 ?          ?        421.8561 6.925633 ?        ?        ?         ?        
1 1 1 5  20 7  o 157.6038 3.599563 248.4796   11.34610 248.4796   11.34610 ?          ?        157.6038 3.599563 ?        ?        ?         ?        
1 1 1 5  20 8  o 1162.915 23.14754 13662.41   538.3724 13662.41   538.3724 ?          ?        1162.915 23.14754 ?        ?        ?         ?        
1 1 1 5  20 9  o 378.0207 7.878805 1430.743   59.56702 1430.743   59.56702 ?          ?        378.0207 7.878805 ?        ?        ?         ?        
1 1 1 5  20 10 o 503.6491 10.13750 2542.094   102.1149 2542.094   102.1149 ?          ?        503.6491 10.13750 ?        ?        ?         ?        
1 1 1 5  20 11 o 197.9069 5.446396 392.0077   21.55759 392.0077   21.55759 ?          ?        197.9069 5.446396 ?        ?        ?         ?        
1 1 1 5  20 12 o 171.4483 6.948686 294.4313   23.82681 294.4313   23.82681 ?          ?        171.4483 6.948686 ?        ?        ?         ?        
1 1 1 5  20 13 o 251.8766 7.883096 635.9489   39.71135 635.9489   39.71135 ?          ?        251.8766 7.883096 ?        ?        ?         ?        
1 1 1 5  20 14 o 536.4074 15.28233 2914.246   163.9511 2914.246   163.9511 ?          ?        536.4074 15.28233 ?        ?        ?         ?        
1 1 1 5  20 15 o 156.3093 7.803153 245.6430   24.39412 245.6430   24.39412 ?          ?        156.3093 7.803153 ?        ?        ?         ?        
1 1 1 5  20 16 o 132.0075 8.380165 175.8645   22.12490 175.8645   22.12490 ?          ?        132.0075 8.380165 ?        ?        ?         ?        
1 1 1 5  20 17 o 63.52340 15.69865 43.68248   19.85567 43.68248   19.85567 ?          ?        63.52340 15.69865 ?        ?        ?         ?        
1 1 1 5  20 18 o 56.26535 16.55245 34.60560   19.85567 34.60560   19.85567 ?          ?        56.26535 16.55245 ?        ?        ?         ?        
1 1 1 5  20 19 f 167.2034 8.142971 285.9217   27.23064 285.9217   27.23064 ?          ?        167.2034 8.142971 ?        ?        ?         ?        
1 1 1 5  21 0  o 519.8494 11.08779 2710.583   115.1629 2710.583   115.1629 2710.583   115.1629 519.8494 11.08779 519.8494 11.08779 -0.000000 0.000000 
1 1 1 5  21 1  o 240.2582 4.132153 577.5164   19.85567 577.5164   19.85567 ?          ?        240.2582 4.132153 ?        ?        ?         ?        
1 1 1 5  21 2  o 333.4795 5.273624 1113.052   35.17290 1113.052   35.17290 ?          ?        333.4795 5.273624 ?        ?        ?         ?        
1 1 1 5  21 3  o 69.41392 4.903671 48.22092   6.807660 48.22092   6.807660 ?          ?        69.41392 4.903671 ?        ?        ?         ?        
1 1 1 5  21 4  o 203.5907 3.901096 414.6999   15.88454 414.6999   15.88454 ?          ?        203.5907 3.901096 ?        ?        ?         ?        
1 1 1 5  21 5  o 164.9819 3.610518 272.3064   11.91340 272.3064   11.91340 ?          ?        164.9819 3.610518 ?        ?        ?         ?        
1 1 1 5  21 6  o 141.8739 3.598790 201.3933   10.21149 201.3933   10.21149 ?          ?        141.8739 3.598790 ?        ?        ?         ?        
1 1 1 5  21 7  o 201.5897 5.628313 406.7577   22.69220 406.7577   22.69220 ?          ?        201.5897 5.628313 ?        ?        ?         ?        
1 1 1 5  21 8  o 726.4967 15.50042 5300.897   225.2201 5300.897   225.2201 ?          ?        726.4967 15.50042 ?        ?        ?         ?        
1 1 1 5  21 9  o 202.8891 5.033039 411.8634   20.42298 411.8634   20.42298 ?          ?        202.8891 5.033039 ?        ?        ?         ?        
1 1 1 5  21 10 o 553.2169 14.04888 3074.226   155.4416 3074.226   155.4416 ?          ?        553.2169 14.04888 ?        ?        ?         ?        
1 1 1 5  21 11 f 80.02181 6.025973 64.10546   9.644185 64.10546   9.644185 ?          ?        80.02181 6.025973 ?        ?        ?         ?        
1 1 1 5  21 12 o 192.1543 6.938001 369.8828   26.66333 369.8828   26.66333 ?          ?        192.1543 6.938001 ?        ?        ?         ?        
1 1 1 5  21 13 o 258.0903 8.792347 668.2853   45.38440 668.2853   45.38440 ?          ?        258.0903 8.792347 ?        ?        ?         ?        
1 1 1 5  21 14 o 353.7578 9.782287 1258.282   69.21120 1258.282   69.21120 ?          ?        353.7578 9.782287 ?        ?        ?         ?        
1 1 1 5  21 15 o 216.4141 7.733091 470.8631   33.47099 470.8631   33.47099 ?          ?        216.4141 7.733091 ?        ?        ?         ?        
1 1 1 5  21 16 o 22.95712 11.31312 -40.27865  18.72106 -40.27865  18.72106 ?          ?        22.95712 11.31312 ?        ?        ?         ?        
1 1 1 5  21 17 o 97.86079 10.14486 97.57646   19.85567 97.57646   19.85567 ?          ?        97.86079 10.14486 ?        ?        ?         ?        
1 1 1 5  21 18 o 62.57828 15.10768 43.11518   18.72106 43.11518   18.72106 ?          ?        62.57828 15.10768 ?        ?        ?         ?        
1 1 1 5  21 19 o 113.3827 10.25708 133.3167   23.25950 133.3167   23.25950 ?          ?        113.3827 10.25708 ?        ?        ?         ?        
1 1 1 5  22 0  o 586.6026 12.39123 3453.753   145.2301 3453.753   145.2301 3453.753   145.2301 586.6026 12.39123 586.6026 12.39123 -0.000000 0.000000 
1 1 1 5  22 1  o 241.1898 4.233798 582.0549   20.42298 582.0549   20.42298 ?          ?        241.1898 4.233798 ?        ?        ?         ?        
1 1 1 5  22 2  o 420.1544 6.481103 1767.722   54.46128 1767.722   54.46128 ?          ?        420.1544 6.481103 ?        ?        ?         ?        
1 1 1 5  22 3  o 225.8989 4.018116 510.5745   18.15376 510.5745   18.15376 ?          ?        225.8989 4.018116 ?        ?        ?         ?        
1 1 1 5  22 4  o 224.1348 4.049742 502.6322   18.15376 502.6322   18.15376 ?          ?        224.1348 4.049742 ?        ?        ?         ?        
1 1 1 5  22 5  o 146.2134 3.491982 213.8740   10.21149 213.8740   10.21149 ?          ?        146.2134 3.491982 ?        ?        ?         ?        
1 1 1 5  22 6  o 626.9947 9.409923 3943.905   117.9994 3943.905   117.9994 ?          ?        626.9947 9.409923 ?        ?        ?         ?        
1 1 1 5  22 7  o 345.7356 9.270880 1198.148   64.10546 1198.148   64.10546 ?          ?        345.7356 9.270880 ?        ?        ?         ?        
1 1 1 5  22 8  o 128.6848 4.408486 165.6530   11.34610 165.6530   11.34610 ?          ?        128.6848 4.408486 ?        ?        ?         ?        
1 1 1 5  22 9  o 160.8014 4.586380 258.6910   14.74993 258.6910   14.74993 ?          ?        160.8014 4.586380 ?        ?        ?         ?        
1 1 1 5  22 10 o 251.5907 6.764616 633.6796   34.03830 633.6796   34.03830 ?          ?        251.5907 6.764616 ?        ?        ?         ?        
1 1 1 5  22 11 o 150.9567 5.073386 228.0566   15.31723 228.0566   15.31723 ?          ?        150.9567 5.073386 ?        ?        ?         ?        
1 1 1 5  22 12 o 164.0479 5.878885 269.4698   19.28837 269.4698   19.28837 ?          ?        164.0479 5.878885 ?        ?        ?         ?        
1 1 1 5  22 13 o 170.3335 8.159861 291.0274   27.79794 291.0274   27.79794 ?          ?        170.3335 8.159861 ?        ?        ?         ?        
1 1 1 5  22 14 o 585.8940 15.39553 3484.387   180.4030 3484.387   180.4030 ?          ?        585.8940 15.39553 ?        ?        ?         ?        
1 1 1 5  22 15 o 166.1744 8.705478 277.9794   28.93255 277.9794   28.93255 ?          ?        166.1744 8.705478 ?        ?        ?         ?        
1 1 1 5  22 16 o 279.1907 8.635840 787.9866   48.22092 787.9866   48.22092 ?          ?        279.1907 8.635840 ?        ?        ?         ?        
1 1 1 5  22 17 f 162.0654 8.051078 266.0660   26.09603 266.0660   26.09603 ?          ?        162.0654 8.051078 ?        ?        ?         ?        
1 1 1 5  22 18 o 44.71836 16.21236 18.72106   18.72106 18.72106   18.72106 ?          ?        44.71836 16.21236 ?        ?        ?         ?        
1 1 1 5  22 19 o 279.2518 8.938678 801.6019   49.92284 801.6019   49.92284 ?          ?        279.2518 8.938678 ?        ?        ?         ?        
1 1 1 5  23 0  o 211.4462 5.373643 448.1709   22.69220 448.1709   22.69220 448.1709   22.69220 211.4462 5.373643 211.4462 5.373643 -0.000000 0.000000 
1 1 1 5  23 1  o 170.0615 3.502674 289.3255   11.91340 289.3255   11.91340 ?          ?        170.0615 3.502674 ?        ?        ?         ?        
1 1 1 5  23 2  o 356.9217 5.721977 1275.302   40.84595 1275.302   40.84595 ?          ?        356.9217 5.721977 ?        ?        ?         ?        
1 1 1 5  23 3  o 64.31828 5.733179 41.41326   7.374964 41.41326   7.374964 ?          ?        64.31828 5.733179 ?        ?        ?         ?        
1 1 1 5  23 4  o 640.9525 9.559046 4120.336   122.5379 4120.336   122.5379 ?          ?        640.9525 9.559046 ?        ?        ?         ?        
1 1 1 5  23 5  o 240.3441 4.366715 578.0837   20.99029 578.0837   20.99029 ?          ?        240.3441 4.366715 ?        ?        ?         ?        
1 1 1 5  23 6  o 572.1550 8.626252 3280.724   98.71106 3280.724   98.71106 ?          ?        572.1550 8.626252 ?        ?        ?         ?        
1 1 1 5  23 7  o 469.0295 9.676236 2204.547   90.76879 2204.547   90.76879 ?          ?        469.0295 9.676236 ?        ?        ?         ?        
1 1 1 5  23 8  f 160.0984 4.960869 256.4218   15.88454 256.4218   15.88454 ?          ?        160.0984 4.960869 ?        ?        ?         ?        
1 1 1 5  23 9  o 229.1253 5.570910 525.3243   25.52872 525.3243   25.52872 ?          ?        229.1253 5.570910 ?        ?        ?         ?        
1 1 1 5  23 10 o 985.2001 23.03309 9834.799   453.8440 9834.799   453.8440 ?          ?        985.2001 23.03309 ?        ?        ?         ?        
1 1 1 5  23 11 o 177.5277 5.272717 315.4216   18.72106 315.4216   18.72106 ?          ?        177.5277 5.272717 ?        ?        ?         ?        
1 1 1 5  23 12 o 210.7632 5.787090 444.7671   24.39412 444.7671   24.39412 ?          ?        210.7632 5.787090 ?        ?        ?         ?        
1 1 1 5  23 13 o 61.39128 11.51391 39.14404   13.61532 39.14404   13.61532 ?          ?        61.39128 11.51391 ?        ?        ?         ?        
1 1 1 5  23 14 o 232.9927 8.765503 545.7473   40.84595 545.7473   40.84595 ?          ?        232.9927 8.765503 ?        ?        ?         ?        
1 1 1 5  23 15 o 312.0996 9.179411 982.0049   57.29780 982.0049   57.29780 ?          ?        312.0996 9.179411 ?        ?        ?         ?        
1 1 1 5  23 16 o 166.6521 7.829494 280.2487   26.09603 280.2487   26.09603 ?          ?        166.6521 7.829494 ?        ?        ?         ?        
1 1 1 5  23 17 o 187.8768 8.001830 357.9694   30.06716 357.9694   30.06716 ?          ?        187.8768 8.001830 ?        ?        ?         ?        
1 1 1 5  23 18 o 169.3182 7.873733 291.5948   26.66333 291.5948   26.66333 ?          ?        169.3182 7.873733 ?        ?        ?         ?        
1 1 1 5  24 0  o 379.9169 8.446059 1447.195   64.10546 1447.195   64.10546 1447.195   64.10546 379.9169 8.446059 379.9169 8.446059 -0.000000 0.000000 
1 1 1 5  24 1  o 183.6829 3.706203 337.5464   13.61532 337.5464   13.61532 ?          ?        183.6829 3.706203 ?        ?        ?         ?        
1 1 1 5  24 2  o 511.3951 7.709831 2620.382   78.85539 2620.382   78.85539 ?          ?        511.3951 7.709831 ?        ?        ?         ?        
1 1 1 5  24 3  o 86.48672 5.903501 74.88425   10.21149 74.88425   10.21149 ?          ?        86.48672 5.903501 ?        ?        ?         ?        
1 1 1 5  24 4  o 742.1869 10.96870 5530.656   162.8165 5530.656   162.8165 ?          ?        742.1869 10.96870 ?        ?        ?         ?        
1 1 1 5  24 5  o 142.6622 3.976560 203.6625   11.34610 203.6625   11.34610 ?          ?        142.6622 3.976560 ?        ?        ?         ?        
1 1 1 5  24 6  o 676.6620 15.67785 4610.487   212.1721 4610.487   212.1721 ?          ?        676.6620 15.67785 ?        ?        ?         ?        
1 1 1 5  24 7  o 143.4767 4.349384 205.9317   12.48071 205.9317   12.48071 ?          ?        143.4767 4.349384 ?        ?        ?         ?        
1 1 1 5  24 8  o 323.6879 7.974465 1048.947   51.62476 1048.947   51.62476 ?          ?        323.6879 7.974465 ?        ?        ?         ?        
1 1 1 5  24 9  o 246.9833 5.857188 610.4202   28.93255 610.4202   28.93255 ?          ?        246.9833 5.857188 ?        ?        ?         ?        
1 1 1 5  24 10 o 796.3492 18.59318 6397.498   296.1332 6397.498   296.1332 ?          ?        796.3492 18.59318 ?        ?        ?         ?        
1 1 1 5  24 11 o 453.2861 11.82704 2063.288   107.2206 2063.288   107.2206 ?          ?        453.2861 11.82704 ?        ?        ?         ?        
1 1 1 5  24 12 o 387.1087 8.866230 1502.791   68.64390 1502.791   68.64390 ?          ?        387.1087 8.866230 ?        ?        ?         ?        
1 1 1 5  24 13 o 221.4664 6.147806 491.2861   27.23064 491.2861   27.23064 ?          ?        221.4664 6.147806 ?        ?        ?         ?        
1 1 1 5  24 14 o 35.66175 15.57599 -3.971134  20.99029 -3.971134  20.99029 ?          ?        35.66175 15.57599 ?        ?        ?         ?        
1 1 1 5  24 15 o 230.2238 7.885265 533.8340   36.30752 533.8340   36.30752 ?          ?        230.2238 7.885265 ?        ?        ?         ?        
1 1 1 5  24 16 o 276.3947 8.312697 772.1021   45.95170 772.1021   45.95170 ?          ?        276.3947 8.312697 ?        ?        ?         ?        
1 1 1 5  24 17 o 114.0051 9.703466 132.7494   22.12490 132.7494   22.12490 ?          ?        114.0051 9.703466 ?        ?        ?         ?        
1 1 1 5  24 18 o 157.5966 8.099390 253.0180   25.52872 253.0180   25.52872 ?          ?        157.5966 8.099390 ?        ?        ?         ?        
1 1 1 5  25 0  o 162.1258 5.260913 263.7968   17.01915 263.7968   17.01915 263.7968   17.01915 162.1258 5.260913 162.1258 5.260913 -0.000000 0.000000 
1 1 1 5  25 1  o 119.7712 4.026086 143.5282   9.644185 143.5282   9.644185 ?          ?        119.7712 4.026086 ?        ?        ?         ?        
1 1 1 5  25 2  o 452.5635 6.957129 2051.375   62.97085 2051.375   62.97085 ?          ?        452.5635 6.957129 ?        ?        ?         ?        
1 1 1 5  25 3  o 206.4931 3.983631 426.6133   16.45185 426.6133   16.45185 ?          ?        206.4931 3.983631 ?        ?        ?         ?        
1 1 1 5  25 4  o 281.8034 4.730840 794.7943   26.66333 794.7943   26.66333 ?          ?        281.8034 4.730840 ?        ?        ?         ?        
1 1 1 5  25 5  o 153.3842 4.438306 235.4316   13.61532 235.4316   13.61532 ?          ?        153.3842 4.438306 ?        ?        ?         ?        
1 1 1 5  25 6  o 323.3643 7.280691 1047.245   47.08631 1047.245   47.08631 ?          ?        323.3643 7.280691 ?        ?        ?         ?        
1 1 1 5  25 7  o 384.0269 8.494205 1476.695   65.24007 1476.695   65.24007 ?          ?        384.0269 8.494205 ?        ?        ?         ?        
1 1 1 5  25 8  o 343.9861 7.256520 1184.533   49.92284 1184.533   49.92284 ?          ?        343.9861 7.256520 ?        ?        ?         ?        
1 1 1 5  25 9  o 190.9413 5.050864 364.7771   19.28837 364.7771   19.28837 ?          ?        190.9413 5.050864 ?        ?        ?         ?        
1 1 1 5  25 10 o 841.0021 18.34799 7137.263   308.6139 7137.263   308.6139 ?          ?        841.0021 18.34799 ?        ?        ?         ?        
1 1 1 5  25 11 o 97.55730 6.687359 95.30723   13.04801 95.30723   13.04801 ?          ?        97.55730 6.687359 ?        ?        ?         ?        
1 1 1 5  25 12 o 555.7489 12.35160 3105.427   137.2878 3105.427   137.2878 ?          ?        555.7489 12.35160 ?        ?        ?         ?        
1 1 1 5  25 13 o 64.22566 9.274645 41.41326   11.91340 41.41326   11.91340 ?          ?        64.22566 9.274645 ?        ?        ?         ?        
1 1 1 5  25 14 o 712.5959 22.92798 5260.052   326.7676 5260.052   326.7676 ?          ?        712.5959 22.92798 ?        ?        ?         ?        
1 1 1 5  25 15 o 144.0705 8.269146 209.3355   23.82681 209.3355   23.82681 ?          ?        144.0705 8.269146 ?        ?        ?         ?        
1 1 1 5  25 16 o 167.7271 7.948425 284.2198   26.66333 284.2198   26.66333 ?          ?        167.7271 7.948425 ?        ?        ?         ?        
1 1 1 5  25 17 o 116.4773 9.497515 138.4224   22.12490 138.4224   22.12490 ?          ?        116.4773 9.497515 ?        ?        ?         ?        
1 1 1 5  25 18 o 219.8855 8.256005 493.5553   36.30752 493.5553   36.30752 ?          ?        219.8855 8.256005 ?        ?        ?         ?        
1 1 1 5  26 0  o 79.54807 7.991026 65.24007   12.48071 65.24007   12.48071 65.24007   12.48071 79.54807 7.991026 79.54807 7.991026 -0.000000 0.000000 
1 1 1 5  26 1  o 132.5820 3.851009 175.8645   10.21149 175.8645   10.21149 ?          ?        132.5820 3.851009 ?        ?        ?         ?        
1 1 1 5  26 2  o 372.2310 5.791455 1387.061   43.11518 1387.061   43.11518 ?          ?        372.2310 5.791455 ?        ?        ?         ?        
1 1 1 5  26 3  o 161.5013 3.863965 260.9603   12.48071 260.9603   12.48071 ?          ?        161.5013 3.863965 ?        ?        ?         ?        
1 1 1 5  26 4  f 103.4997 4.659041 107.2206   9.644185 107.2206   9.644185 ?          ?        103.4997 4.659041 ?        ?        ?         ?        
1 1 1 5  26 5  o 276.9583 4.813600 767.5637   26.66333 767.5637   26.66333 ?          ?        276.9583 4.813600 ?        ?        ?         ?        
1 1 1 5  26 6  o 962.7585 19.15061 9350.888   368.7482 9350.888   368.7482 ?          ?        962.7585 19.15061 ?        ?        ?         ?        
1 1 1 5  26 7  o 220.4424 5.275641 486.1804   23.25950 486.1804   23.25950 ?          ?        220.4424 5.275641 ?        ?        ?         ?        
1 1 1 5  26 8  o 494.1530 10.10271 2447.354   99.84568 2447.354   99.84568 ?          ?        494.1530 10.10271 ?        ?        ?         ?        
1 1 1 5  26 9  o 351.2495 8.075526 1235.590   56.73050 1235.590   56.73050 ?          ?        351.2495 8.075526 ?        ?        ?         ?        
1 1 1 5  26 10 o 573.0551 13.51303 3301.715   154.8743 3301.715   154.8743 ?          ?        573.0551 13.51303 ?        ?        ?         ?        
1 1 1 5  26 11 o 312.3527 7.446551 977.4666   46.51900 977.4666   46.51900 ?          ?        312.3527 7.446551 ?        ?        ?         ?        
1 1 1 5  26 12 o 599.7881 13.33638 3621.108   159.9800 3621.108   159.9800 ?          ?        599.7881 13.33638 ?        ?        ?         ?        
1 1 1 5  26 13 o 170.6091 5.819056 291.5948   19.85567 291.5948   19.85567 ?          ?        170.6091 5.819056 ?        ?        ?         ?        
1 1 1 5  26 14 o 565.0891 14.70745 3242.148   166.2204 3242.148   166.2204 ?          ?        565.0891 14.70745 ?        ?        ?         ?        
1 1 1 5  26 15 o 107.4401 10.03237 116.8648   21.55759 116.8648   21.55759 ?          ?        107.4401 10.03237 ?        ?        ?         ?        
1 1 1 5  26 16 o 85.91906 11.55487 75.45156   19.85567 75.45156   19.85567 ?          ?        85.91906 11.55487 ?        ?        ?         ?        
1 1 1 5  26 17 o 83.26646 12.60429 72.04772   20.99029 72.04772   20.99029 ?          ?        83.26646 12.60429 ?        ?        ?         ?        
1 1 1 5  26 18 o 58.64880 16.63972 38.57674   20.42298 38.57674   20.42298 ?          ?        58.64880 16.63972 ?        ?        ?         ?        
1 1 1 5  27 0  f 69.63219 9.216401 51.05745   12.48071 51.05745   12.48071 51.05745   12.48071 69.63219 9.216401 69.63219 9.216401 -0.000000 0.000000 
1 1 1 5  27 1  o 193.4540 3.812257 374.4213   14.74993 374.4213   14.74993 ?          ?        193.4540 3.812257 ?        ?        ?         ?        
1 1 1 5  27 2  o 164.2881 3.798423 270.0372   12.48071 270.0372   12.48071 ?          ?        164.2881 3.798423 ?        ?        ?         ?        
1 1 1 5  27 3  f 102.4063 4.431799 104.9514   9.076880 104.9514   9.076880 ?          ?        102.4063 4.431799 ?        ?        ?         ?        
1 1 1 5  27 4  o 566.3724 9.165065 3217.754   103.8168 3217.754   103.8168 ?          ?        566.3724 9.165065 ?        ?        ?         ?        
1 1 1 5  27 5  o 128.4460 4.637516 165.0858   11.91340 165.0858   11.91340 ?          ?        128.4460 4.637516 ?        ?        ?         ?        
1 1 1 5  27 6  o 1134.919 24.16842 13029.86   548.5839 13029.86   548.5839 ?          ?        1134.919 24.16842 ?        ?        ?         ?        
1 1 1 5  27 7  o 608.8802 15.51311 3722.655   188.9126 3722.655   188.9126 ?          ?        608.8802 15.51311 ?        ?        ?         ?        
1 1 1 5  27 8  o 186.1282 5.029079 346.6233   18.72106 346.6233   18.72106 ?          ?        186.1282 5.029079 ?        ?        ?         ?        
1 1 1 5  27 9  o 289.8784 7.045362 841.3133   40.84595 841.3133   40.84595 ?          ?        289.8784 7.045362 ?        ?        ?         ?        
1 1 1 5  27 10 o 942.1697 20.59271 8991.216   388.0366 8991.216   388.0366 ?          ?        942.1697 20.59271 ?        ?        ?         ?        
1 1 1 5  27 11 o 419.1928 9.608622 1763.184   80.55730 1763.184   80.55730 ?          ?        419.1928 9.608622 ?        ?        ?         ?        
1 1 1 5  27 12 o 581.0451 12.88786 3398.724   149.7685 3398.724   149.7685 ?          ?        581.0451 12.88786 ?        ?        ?         ?        
1 1 1 5  27 13 o 346.6262 8.346903 1206.090   57.86510 1206.090   57.86510 ?          ?        346.6262 8.346903 ?        ?        ?         ?        
1 1 1 5  27 14 o 249.5604 6.819653 625.1701   34.03830 625.1701   34.03830 ?          ?        249.5604 6.819653 ?        ?        ?         ?        
1 1 1 5  27 15 o 361.7337 11.21330 1328.628   81.12460 1328.628   81.12460 ?          ?        361.7337 11.21330 ?        ?        ?         ?        
1 1 1 5  27 16 o 122.9924 9.916921 153.7396   24.39412 153.7396   24.39412 ?          ?        122.9924 9.916921 ?        ?        ?         ?        
1 1 1 5  27 17 o 28.57736 13.68009 -27.79794  22.12490 -27.79794  22.12490 ?          ?        28.57736 13.68009 ?        ?        ?         ?        
1 1 1 5  27 18 o 117.2814 9.190540 141.2589   21.55759 141.2589   21.55759 ?          ?        117.2814 9.190540 ?        ?        ?         ?        
1 1 1 5  28 0  f 398.0930 8.630618 1589.021   68.64390 1589.021   68.64390 1589.021   68.64390 398.0930 8.630618 398.0930 8.630618 -0.000000 0.000000 
1 1 1 5  28 1  o 203.5878 3.901152 414.6999   15.88454 414.6999   15.88454 ?          ?        203.5878 3.901152 ?        ?        ?         ?        
1 1 1 5  28 2  o 520.6068 7.900322 2716.823   82.25922 2716.823   82.25922 ?          ?        520.6068 7.900322 ?        ?        ?         ?        
1 1 1 5  28 3  o 66.86337 7.636086 44.81709   10.21149 44.81709   10.21149 ?          ?        66.86337 7.636086 ?        ?        ?         ?        
1 1 1 5  28 4  o 450.8148 7.361635 2035.490   66.37468 2035.490   66.37468 ?          ?        450.8148 7.361635 ?        ?        ?         ?        
1 1 1 5  28 5  o 35.03760 11.35631 11.91340   9.076880 11.91340   9.076880 ?          ?        35.03760 11.35631 ?        ?        ?         ?        
1 1 1 5  28 6  o 803.8348 20.29026 6509.824   326.2003 6509.824   326.2003 ?          ?        803.8348 20.29026 ?        ?        ?         ?        
1 1 1 5  28 7  o 564.4946 13.31596 3197.331   150.3358 3197.331   150.3358 ?          ?        564.4946 13.31596 ?        ?        ?         ?        
1 1 1 5  28 8  o 708.8060 16.56760 5051.284   234.8643 5051.284   234.8643 ?          ?        708.8060 16.56760 ?        ?        ?         ?        
1 1 1 5  28 9  o 278.5148 6.925437 776.6405   38.57674 776.6405   38.57674 ?          ?        278.5148 6.925437 ?        ?        ?         ?        
1 1 1 5  28 10 o 624.5726 13.76088 3922.914   171.8934 3922.914   171.8934 ?          ?        624.5726 13.76088 ?        ?        ?         ?        
1 1 1 5  28 11 o 294.0337 7.235204 866.2746   42.54787 866.2746   42.54787 ?          ?        294.0337 7.235204 ?        ?        ?         ?        
1 1 1 5  28 12 o 430.1058 9.760521 1857.924   83.96114 1857.924   83.96114 ?          ?        430.1058 9.760521 ?        ?        ?         ?        
1 1 1 5  28 13 o 70.89709 8.801990 50.49014   12.48071 50.49014   12.48071 ?          ?        70.89709 8.801990 ?        ?        ?         ?        
1 1 1 5  28 14 o 408.1138 10.28649 1681.492   83.96114 1681.492   83.96114 ?          ?        408.1138 10.28649 ?        ?        ?         ?        
1 1 1 5  28 15 o 201.0791 6.771126 406.7577   27.23064 406.7577   27.23064 ?          ?        201.0791 6.771126 ?        ?        ?         ?        
1 1 1 5  28 16 o 244.2491 9.290595 605.3144   45.38440 605.3144   45.38440 ?          ?        244.2491 9.290595 ?        ?        ?         ?        
1 1 1 5  28 17 o 82.21695 12.76518 70.34581   20.99029 70.34581   20.99029 ?          ?        82.21695 12.76518 ?        ?        ?         ?        
1 1 1 5  28 18 o 132.4024 8.997873 179.8357   23.82681 179.8357   23.82681 ?          ?        132.4024 8.997873 ?        ?        ?         ?        
1 1 1 5  29 0  o 19.25542 12.78322 -2.269220  12.48071 -2.269220  12.48071 -2.269220  12.48071 19.25542 12.78322 19.25542 12.78322 -0.000000 0.000000 
1 1 1 5  29 1  o 150.9675 3.945685 228.0566   11.91340 228.0566   11.91340 ?          ?        150.9675 3.945685 ?        ?        ?         ?        
1 1 1 5  29 2  o 224.9569 5.043676 506.6033   22.69220 506.6033   22.69220 ?          ?        224.9569 5.043676 ?        ?        ?         ?        
1 1 1 5  29 3  o 113.4475 4.250505 128.7782   9.644185 128.7782   9.644185 ?          ?        113.4475 4.250505 ?        ?        ?         ?        
1 1 1 5  29 4  o 528.2050 10.63284 2799.083   112.3264 2799.083   112.3264 ?          ?        528.2050 10.63284 ?        ?        ?         ?        
1 1 1 5  29 5  o 330.1126 7.131856 1090.927   47.08631 1090.927   47.08631 ?          ?        330.1126 7.131856 ?        ?        ?         ?        
1 1 1 5  29 6  f 407.7688 8.973510 1665.040   73.18234 1665.040   73.18234 ?          ?        407.7688 8.973510 ?        ?        ?         ?        
1 1 1 5  29 7  o 524.0457 12.44931 2755.400   130.4801 2755.400   130.4801 ?          ?        524.0457 12.44931 ?        ?        ?         ?        
1 1 1 5  29 8  o 799.9952 17.12562 6438.911   274.0083 6438.911   274.0083 ?          ?        799.9952 17.12562 ?        ?        ?         ?        
1 1 1 5  29 9  f 440.4155 9.982877 1944.721   87.93227 1944.721   87.93227 ?          ?        440.4155 9.982877 ?        ?        ?         ?        
1 1 1 5  29 10 o 745.9141 16.42788 5608.944   245.0758 5608.944   245.0758 ?          ?        745.9141 16.42788 ?        ?        ?         ?        
1 1 1 5  29 11 o 250.6360 6.450866 629.1412   32.33638 629.1412   32.33638 ?          ?        250.6360 6.450866 ?        ?        ?         ?        
1 1 1 5  29 12 o 296.3628 7.274055 880.4573   43.11518 880.4573   43.11518 ?          ?        296.3628 7.274055 ?        ?        ?         ?        
1 1 1 5  29 13 o 255.1392 6.781710 652.9680   34.60560 652.9680   34.60560 ?          ?        255.1392 6.781710 ?        ?        ?         ?        
1 1 1 5  29 14 o 230.0026 6.536267 530.9974   30.06716 530.9974   30.06716 ?          ?        230.0026 6.536267 ?        ?        ?         ?        
1 1 1 5  29 15 f 119.4754 6.172790 143.5282   14.74993 143.5282   14.74993 ?          ?        119.4754 6.172790 ?        ?        ?         ?        
1 1 1 5  29 16 o 98.97809 11.74982 100.4130   23.25950 100.4130   23.25950 ?          ?        98.97809 11.74982 ?        ?        ?         ?        
1 1 1 5  29 17 o 32.45138 14.68831 -9.076880  20.42298 -9.076880  20.42298 ?          ?        32.45138 14.68831 ?        ?        ?         ?        
1 1 1 5  29 18 o 158.9873 8.742189 259.2584   27.79794 259.2584   27.79794 ?          ?        158.9873 8.742189 ?        ?        ?         ?        
1 1 1 5  30 0  o 115.6166 6.420361 135.0186   14.74993 135.0186   14.74993 135.0186   14.74993 115.6166 6.420361 115.6166 6.420361 -0.000000 0.000000 
1 1 1 5  30 1  o 255.8313 5.321991 655.2372   27.23064 655.2372   27.23064 ?          ?        255.8313 5.321991 ?        ?        ?         ?        
1 1 1 5  30 2  o 382.8641 6.075133 1467.618   46.51900 1467.618   46.51900 ?          ?        382.8641 6.075133 ?        ?        ?         ?        
1 1 1 5  30 3  o 131.7214 4.306855 173.5953   11.34610 173.5953   11.34610 ?          ?        131.7214 4.306855 ?        ?        ?         ?        
1 1 1 5  30 4  o 290.8742 6.338620 846.9863   36.87482 846.9863   36.87482 ?          ?        290.8742 6.338620 ?        ?        ?         ?        
1 1 1 5  30 5  o 488.5967 10.04343 2391.758   98.14376 2391.758   98.14376 ?          ?        488.5967 10.04343 ?        ?        ?         ?        
1 1 1 5  30 6  o 1448.553 41.59170 21613.75   1204.956 21613.75   1204.956 ?          ?        1448.553 41.59170 ?        ?        ?         ?        
1 1 1 5  30 7  o 430.3509 10.21634 1856.222   87.93227 1856.222   87.93227 ?          ?        430.3509 10.21634 ?        ?        ?         ?        
1 1 1 5  30 8  o 151.3422 5.247888 229.1912   15.88454 229.1912   15.88454 ?          ?        151.3422 5.247888 ?        ?        ?         ?        
1 1 1 5  30 9  o 194.4314 5.689641 378.3924   22.12490 378.3924   22.12490 ?          ?        194.4314 5.689641 ?        ?        ?         ?        
1 1 1 5  30 10 o 307.8085 7.372181 949.1012   45.38440 949.1012   45.38440 ?          ?        307.8085 7.372181 ?        ?        ?         ?        
1 1 1 5  30 11 o 368.6453 8.694736 1362.667   64.10546 1362.667   64.10546 ?          ?        368.6453 8.694736 ?        ?        ?         ?        
1 1 1 5  30 12 o 189.3517 5.992077 359.1040   22.69220 359.1040   22.69220 ?          ?        189.3517 5.992077 ?        ?        ?         ?        
1 1 1 5  30 13 o 233.9902 6.546101 549.1512   30.63447 549.1512   30.63447 ?          ?        233.9902 6.546101 ?        ?        ?         ?        
1 1 1 5  30 14 o 232.0257 6.479276 540.6417   30.06716 540.6417   30.06716 ?          ?        232.0257 6.479276 ?        ?        ?         ?        
1 1 1 5  30 15 o 129.2510 5.925384 167.9223   15.31723 167.9223   15.31723 ?          ?        129.2510 5.925384 ?        ?        ?         ?        
1 1 1 5  30 16 o 74.68200 14.96087 60.13433   21.55759 60.13433   21.55759 ?          ?        74.68200 14.96087 ?        ?        ?         ?        
1 1 1 5  30 17 o 101.7013 10.59848 106.6533   21.55759 106.6533   21.55759 ?          ?        101.7013 10.59848 ?        ?        ?         ?        
1 1 1 5  30 18 o 197.0761 8.491896 398.2480   33.47099 398.2480   33.47099 ?          ?        197.0761 8.491896 ?        ?        ?         ?        
1 1 1 5  31 0  o 402.1338 12.65365 1625.896   101.5476 1625.896   101.5476 1625.896   101.5476 402.1338 12.65365 402.1338 12.65365 -0.000000 0.000000 
1 1 1 5  31 1  o 282.1005 5.429708 796.4961   30.63447 796.4961   30.63447 ?          ?        282.1005 5.429708 ?        ?        ?         ?        
1 1 1 5  31 2  f 147.1772 4.047300 216.7105   11.91340 216.7105   11.91340 ?          ?        147.1772 4.047300 ?        ?        ?         ?        
1 1 1 5  31 3  o 293.5747 6.376934 862.8708   37.44213 862.8708   37.44213 ?          ?        293.5747 6.376934 ?        ?        ?         ?        
1 1 1 5  31 4  o 819.3004 20.84203 6773.054   341.5176 6773.054   341.5176 ?          ?        819.3004 20.84203 ?        ?        ?         ?        
1 1 1 5  31 5  o 551.3099 11.98800 3046.995   132.1821 3046.995   132.1821 ?          ?        551.3099 11.98800 ?        ?        ?         ?        
1 1 1 5  31 6  o 1464.109 42.27346 22196.37   1237.859 22196.37   1237.859 ?          ?        1464.109 42.27346 ?        ?        ?         ?        
1 1 1 5  31 7  o 259.1365 7.443324 672.2563   38.57674 672.2563   38.57674 ?          ?        259.1365 7.443324 ?        ?        ?         ?        
1 1 1 5  31 8  o 437.2910 13.94616 1921.462   121.9706 1921.462   121.9706 ?          ?        437.2910 13.94616 ?        ?        ?         ?        
1 1 1 5  31 9  o 437.2602 10.70362 1918.625   93.60532 1918.625   93.60532 ?          ?        437.2602 10.70362 ?        ?        ?         ?        
1 1 1 5  31 10 o 140.0177 5.874917 196.2875   16.45185 196.2875   16.45185 ?          ?        140.0177 5.874917 ?        ?        ?         ?        
1 1 1 5  31 11 o 530.3453 11.92704 2827.448   126.5090 2827.448   126.5090 ?          ?        530.3453 11.92704 ?        ?        ?         ?        
1 1 1 5  31 12 o 377.6517 9.388693 1432.445   70.91312 1432.445   70.91312 ?          ?        377.6517 9.388693 ?        ?        ?         ?        
1 1 1 5  31 13 o 54.09851 11.37103 30.63447   11.91340 30.63447   11.91340 ?          ?        54.09851 11.37103 ?        ?        ?         ?        
1 1 1 5  31 14 o 34.33105 13.08227 8.509575   12.48071 8.509575   12.48071 ?          ?        34.33105 13.08227 ?        ?        ?         ?        
1 1 1 5  31 15 o 123.6519 5.964295 153.7396   14.74993 153.7396   14.74993 ?          ?        123.6519 5.964295 ?        ?        ?         ?        
1 1 1 5  31 16 o 218.4218 6.493226 481.6419   28.36525 481.6419   28.36525 ?          ?        218.4218 6.493226 ?        ?        ?         ?        
1 1 1 5  31 17 o 92.47268 12.26968 89.06688   22.69220 89.06688   22.69220 ?          ?        92.47268 12.26968 ?        ?        ?         ?        
1 1 1 5  31 18 o 55.16385 16.91116 34.03830   20.42298 34.03830   20.42298 ?          ?        55.16385 16.91116 ?        ?        ?         ?        
1 1 1 5  32 0  f 341.2899 14.35007 1174.321   97.57646 1174.321   97.57646 1174.321   97.57646 341.2899 14.35007 341.2899 14.35007 -0.000000 0.000000 
1 1 1 5  32 1  o 341.1898 7.149720 1165.812   48.78823 1165.812   48.78823 ?          ?        341.1898 7.149720 ?        ?        ?         ?        
1 1 1 5  32 2  o 821.4658 16.40177 6800.285   269.4698 6800.285   269.4698 ?          ?        821.4658 16.40177 ?        ?        ?         ?        
1 1 1 5  32 3  o 370.7315 7.727669 1376.282   57.29780 1376.282   57.29780 ?          ?        370.7315 7.727669 ?        ?        ?         ?        
1 1 1 5  32 4  o 322.0484 7.310441 1038.168   47.08631 1038.168   47.08631 ?          ?        322.0484 7.310441 ?        ?        ?         ?        
1 1 1 5  32 5  o 555.3175 15.78352 3096.918   175.2972 3096.918   175.2972 ?          ?        555.3175 15.78352 ?        ?        ?         ?        
1 1 1 5  32 6  o 578.6532 16.81367 3369.224   194.5856 3369.224   194.5856 ?          ?        578.6532 16.81367 ?        ?        ?         ?        
1 1 1 5  32 7  o 535.2161 14.04440 2876.236   150.3358 2876.236   150.3358 ?          ?        535.2161 14.04440 ?        ?        ?         ?        
1 1 1 5  32 8  o 215.0551 6.067287 462.9208   26.09603 462.9208   26.09603 ?          ?        215.0551 6.067287 ?        ?        ?         ?        
1 1 1 5  32 9  o 105.9191 6.427229 112.3264   13.61532 112.3264   13.61532 ?          ?        105.9191 6.427229 ?        ?        ?         ?        
1 1 1 5  32 10 o 687.4573 17.65975 4781.813   242.8065 4781.813   242.8065 ?          ?        687.4573 17.65975 ?        ?        ?         ?        
1 1 1 5  32 11 f 211.9368 6.156559 449.8729   26.09603 449.8729   26.09603 ?          ?        211.9368 6.156559 ?        ?        ?         ?        
1 1 1 5  32 12 o 191.6780 6.215322 368.1809   23.82681 368.1809   23.82681 ?          ?        191.6780 6.215322 ?        ?        ?         ?        
1 1 1 5  32 13 o 253.5722 6.599894 645.0258   33.47099 645.0258   33.47099 ?          ?        253.5722 6.599894 ?        ?        ?         ?        
1 1 1 5  32 14 o 125.9490 6.305940 159.4127   15.88454 159.4127   15.88454 ?          ?        125.9490 6.305940 ?        ?        ?         ?        
1 1 1 5  32 15 o 28.99110 12.46635 -0.5673050 13.04801 -0.5673050 13.04801 ?          ?        28.99110 12.46635 ?        ?        ?         ?        
1 1 1 5  32 16 o 117.7750 6.743596 140.1243   15.88454 140.1243   15.88454 ?          ?        117.7750 6.743596 ?        ?        ?         ?        
1 1 1 5  32 17 o 89.66650 12.33733 83.96114   22.12490 83.96114   22.12490 ?          ?        89.66650 12.33733 ?        ?        ?         ?        
1 1 1 5  33 0  o 828.6948 23.45401 6935.870   388.0366 6935.870   388.0366 6935.870   388.0366 828.6948 23.45401 828.6948 23.45401 -0.000000 0.000000 
1 1 1 5  33 1  f 414.3991 8.624588 1720.636   71.48043 1720.636   71.48043 ?          ?        414.3991 8.624588 ?        ?        ?         ?        
1 1 1 5  33 2  o 471.6335 9.562669 2228.941   90.20149 2228.941   90.20149 ?          ?        471.6335 9.562669 ?        ?        ?         ?        
1 1 1 5  33 3  o 384.3328 10.33254 1480.099   79.42269 1480.099   79.42269 ?          ?        384.3328 10.33254 ?        ?        ?         ?        
1 1 1 5  33 4  o 677.5701 14.56839 4607.651   197.4221 4607.651   197.4221 ?          ?        677.5701 14.56839 ?        ?        ?         ?        
1 1 1 5  33 5  o 206.7661 5.213039 427.7480   21.55759 427.7480   21.55759 ?          ?        206.7661 5.213039 ?        ?        ?         ?        
1 1 1 5  33 6  o 1012.467 28.91248 10429.33   585.4587 10429.33   585.4587 ?          ?        1012.467 28.91248 ?        ?        ?         ?        
1 1 1 5  33 7  o 527.9445 16.92423 2805.891   178.7011 2805.891   178.7011 ?          ?        527.9445 16.92423 ?        ?        ?         ?        
1 1 1 5  33 8  o 632.5687 16.00837 4030.135   202.5279 4030.135   202.5279 ?          ?        632.5687 16.00837 ?        ?        ?         ?        
1 1 1 5  33 9  o 293.5135 7.248027 862.8708   42.54787 862.8708   42.54787 ?          ?        293.5135 7.248027 ?        ?        ?         ?        
1 1 1 5  33 10 o 379.2170 11.36953 1444.926   86.23035 1444.926   86.23035 ?          ?        379.2170 11.36953 ?        ?        ?         ?        
1 1 1 5  33 11 o 399.4523 10.08347 1603.204   80.55730 1603.204   80.55730 ?          ?        399.4523 10.08347 ?        ?        ?         ?        
1 1 1 5  33 12 o 354.4975 8.321599 1261.686   58.99971 1261.686   58.99971 ?          ?        354.4975 8.321599 ?        ?        ?         ?        
1 1 1 5  33 13 o 407.1356 10.10219 1672.415   82.25922 1672.415   82.25922 ?          ?        407.1356 10.10219 ?        ?        ?         ?        
1 1 1 5  33 14 o 74.14914 9.563580 55.59589   14.18262 55.59589   14.18262 ?          ?        74.14914 9.563580 ?        ?        ?         ?        
1 1 1 5  33 15 o 199.9102 6.243159 402.2192   24.96142 402.2192   24.96142 ?          ?        199.9102 6.243159 ?        ?        ?         ?        
1 1 1 5  33 16 o 255.7034 7.099537 662.0449   36.30752 662.0449   36.30752 ?          ?        255.7034 7.099537 ?        ?        ?         ?        
1 1 1 5  33 17 o 96.45313 8.822497 95.30723   17.01915 95.30723   17.01915 ?          ?        96.45313 8.822497 ?        ?        ?         ?        
1 1 1 5  34 0  o 103.9587 8.006440 110.0572   16.45185 110.0572   16.45185 110.0572   16.45185 103.9587 8.006440 103.9587 8.006440 -0.000000 0.000000 
1 1 1 5  34 1  o 461.2491 9.470474 2131.365   87.36497 2131.365   87.36497 ?          ?        461.2491 9.470474 ?        ?        ?         ?        
1 1 1 5  34 2  o 292.9543 6.487264 858.8997   38.00943 858.8997   38.00943 ?          ?        292.9543 6.487264 ?        ?        ?         ?        
1 1 1 5  34 3  o 204.5677 5.130400 418.6711   20.99029 418.6711   20.99029 ?          ?        204.5677 5.130400 ?        ?        ?         ?        
1 1 1 5  34 4  o 279.3494 7.717071 781.1789   43.11518 781.1789   43.11518 ?          ?        279.3494 7.717071 ?        ?        ?         ?        
1 1 1 5  34 5  o 414.8222 9.299585 1724.040   77.15348 1724.040   77.15348 ?          ?        414.8222 9.299585 ?        ?        ?         ?        
1 1 1 5  34 6  o 445.5443 13.05118 1991.808   116.2975 1991.808   116.2975 ?          ?        445.5443 13.05118 ?        ?        ?         ?        
1 1 1 5  34 7  o 635.6865 20.12427 4081.759   255.8545 4081.759   255.8545 ?          ?        635.6865 20.12427 ?        ?        ?         ?        
1 1 1 5  34 8  o 576.6268 16.23326 3351.638   187.2106 3351.638   187.2106 ?          ?        576.6268 16.23326 ?        ?        ?         ?        
1 1 1 5  34 9  o 609.4810 14.47394 3740.242   176.4319 3740.242   176.4319 ?          ?        609.4810 14.47394 ?        ?        ?         ?        
1 1 1 5  34 10 o 343.5871 8.255622 1183.398   56.73050 1183.398   56.73050 ?          ?        343.5871 8.255622 ?        ?        ?         ?        
1 1 1 5  34 11 o 320.9033 7.690094 1032.495   49.35553 1032.495   49.35553 ?          ?        320.9033 7.690094 ?        ?        ?         ?        
1 1 1 5  34 12 o 351.1712 8.319648 1238.994   58.43241 1238.994   58.43241 ?          ?        351.1712 8.319648 ?        ?        ?         ?        
1 1 1 5  34 13 o 37.87978 13.81681 11.91340   13.61532 11.91340   13.61532 ?          ?        37.87978 13.81681 ?        ?        ?         ?        
1 1 1 5  34 14 o 163.5783 6.069163 268.9026   19.85567 268.9026   19.85567 ?          ?        163.5783 6.069163 ?        ?        ?         ?        
1 1 1 5  34 15 o 192.8812 6.176551 374.4213   23.82681 374.4213   23.82681 ?          ?        192.8812 6.176551 ?        ?        ?         ?        
1 1 1 5  34 16 o 156.3562 5.986672 246.7777   18.72106 246.7777   18.72106 ?          ?        156.3562 5.986672 ?        ?        ?         ?        
1 1 1 5  34 17 o 138.6620 6.136920 194.5856   17.01915 194.5856   17.01915 ?          ?        138.6620 6.136920 ?        ?        ?         ?        
1 1 1 5  35 0  o 40.30957 18.63554 23.82681   16.45185 23.82681   16.45185 23.82681   16.45185 40.30957 18.63554 40.30957 18.63554 -0.000000 0.000000 
1 1 1 5  35 1  o 309.7896 6.592532 960.4473   40.84595 960.4473   40.84595 ?          ?        309.7896 6.592532 ?        ?        ?         ?        
1 1 1 5  35 2  o 638.1764 14.75652 4087.999   188.3452 4087.999   188.3452 ?          ?        638.1764 14.75652 ?        ?        ?         ?        
1 1 1 5  35 3  o 329.7898 7.482877 1088.658   49.35553 1088.658   49.35553 ?          ?        329.7898 7.482877 ?        ?        ?         ?        
1 1 1 5  35 4  o 320.4604 6.904095 1027.957   44.24979 1027.957   44.24979 ?          ?        320.4604 6.904095 ?        ?        ?         ?        
1 1 1 5  35 5  o 256.8378 7.068181 660.3430   36.30752 660.3430   36.30752 ?          ?        256.8378 7.068181 ?        ?        ?         ?        
1 1 1 5  35 6  o 432.4565 13.97088 1878.347   120.8360 1878.347   120.8360 ?          ?        432.4565 13.97088 ?        ?        ?         ?        
1 1 1 5  35 7  o 628.1038 19.87045 3985.317   249.6142 3985.317   249.6142 ?          ?        628.1038 19.87045 ?        ?        ?         ?        
1 1 1 5  35 8  o 600.1985 18.80939 3640.396   225.7874 3640.396   225.7874 ?          ?        600.1985 18.80939 ?        ?        ?         ?        
1 1 1 5  35 9  o 129.9196 6.549879 169.0569   17.01915 169.0569   17.01915 ?          ?        129.9196 6.549879 ?        ?        ?         ?        
1 1 1 5  35 10 o 438.9496 10.01621 1933.943   87.93227 1933.943   87.93227 ?          ?        438.9496 10.01621 ?        ?        ?         ?        
1 1 1 5  35 11 o 387.8631 9.068382 1510.166   70.34581 1510.166   70.34581 ?          ?        387.8631 9.068382 ?        ?        ?         ?        
1 1 1 5  35 12 o 388.2900 9.131464 1516.406   70.91312 1516.406   70.91312 ?          ?        388.2900 9.131464 ?        ?        ?         ?        
1 1 1 5  35 13 o 199.8196 6.813807 401.0846   27.23064 401.0846   27.23064 ?          ?        199.8196 6.813807 ?        ?        ?         ?        
1 1 1 5  35 14 o 118.8840 7.157880 142.3935   17.01915 142.3935   17.01915 ?          ?        118.8840 7.157880 ?        ?        ?         ?        
1 1 1 5  35 15 o 161.1662 6.159998 261.5276   19.85567 261.5276   19.85567 ?          ?        161.1662 6.159998 ?        ?        ?         ?        
1 1 1 5  35 16 o 208.3134 6.535978 438.5268   27.23064 438.5268   27.23064 ?          ?        208.3134 6.535978 ?        ?        ?         ?        
1 1 1 5  35 17 o 51.85479 13.53279 29.49986   14.18262 29.49986   14.18262 ?          ?        51.85479 13.53279 ?        ?        ?         ?        
1 1 1 5  36 0  o 704.5359 19.92408 4992.284   280.2487 4992.284   280.2487 4992.284   280.2487 704.5359 19.92408 704.5359 19.92408 -0.000000 0.000000 
1 1 1 5  36 1  o 468.9779 9.616817 2202.845   90.20149 2202.845   90.20149 ?          ?        468.9779 9.616817 ?        ?        ?         ?        
1 1 1 5  36 2  o 385.7569 8.014924 1489.743   61.83624 1489.743   61.83624 ?          ?        385.7569 8.014924 ?        ?        ?         ?        
1 1 1 5  36 3  o 777.0865 18.14152 6078.105   281.9506 6078.105   281.9506 ?          ?        777.0865 18.14152 ?        ?        ?         ?        
1 1 1 5  36 4  o 527.7479 12.36198 2794.544   130.4801 2794.544   130.4801 ?          ?        527.7479 12.36198 ?        ?        ?         ?        
1 1 1 5  36 5  o 470.0204 13.81991 2217.595   129.9128 2217.595   129.9128 ?          ?        470.0204 13.81991 ?        ?        ?         ?        
1 1 1 5  36 6  o 438.4751 13.84380 1931.673   121.4033 1931.673   121.4033 ?          ?        438.4751 13.84380 ?        ?        ?         ?        
1 1 1 5  36 7  o 134.6412 6.952205 181.5376   18.72106 181.5376   18.72106 ?          ?        134.6412 6.952205 ?        ?        ?         ?        
1 1 1 5  36 8  o 385.9521 10.21570 1494.281   78.85539 1494.281   78.85539 ?          ?        385.9521 10.21570 ?        ?        ?         ?        
1 1 1 5  36 9  o 266.1227 7.461099 709.6985   39.71135 709.6985   39.71135 ?          ?        266.1227 7.461099 ?        ?        ?         ?        
1 1 1 5  36 10 f 83.05492 8.879624 69.21120   14.74993 69.21120   14.74993 ?          ?        83.05492 8.879624 ?        ?        ?         ?        
1 1 1 5  36 11 o 339.2261 8.278136 1155.033   56.16319 1155.033   56.16319 ?          ?        339.2261 8.278136 ?        ?        ?         ?        
1 1 1 5  36 12 o 74.29164 10.30885 55.59589   15.31723 55.59589   15.31723 ?          ?        74.29164 10.30885 ?        ?        ?         ?        
1 1 1 5  36 13 o 120.8965 6.569480 146.9320   15.88454 146.9320   15.88454 ?          ?        120.8965 6.569480 ?        ?        ?         ?        
1 1 1 5  36 14 o 122.1954 6.731780 150.3358   16.45185 150.3358   16.45185 ?          ?        122.1954 6.731780 ?        ?        ?         ?        
1 1 1 5  36 15 o 256.4421 6.968477 664.3141   35.74022 664.3141   35.74022 ?          ?        256.4421 6.968477 ?        ?        ?         ?        
1 1 1 5  36 16 o 141.5157 6.414046 202.5279   18.15376 202.5279   18.15376 ?          ?        141.5157 6.414046 ?        ?        ?         ?        
1 1 1 5  36 17 f 30.46527 13.81569 -7.942269  18.15376 -7.942269  18.15376 ?          ?        30.46527 13.81569 ?        ?        ?         ?        
1 1 1 5  37 0  o 423.4315 12.41652 1800.059   104.9514 1800.059   104.9514 1800.059   104.9514 423.4315 12.41652 423.4315 12.41652 -0.000000 0.000000 
1 1 1 5  37 1  f 299.8351 6.622198 899.7457   39.71135 899.7457   39.71135 ?          ?        299.8351 6.622198 ?        ?        ?         ?        
1 1 1 5  37 2  o 108.5841 6.269482 117.9994   13.61532 117.9994   13.61532 ?          ?        108.5841 6.269482 ?        ?        ?         ?        
1 1 1 5  37 3  f 409.5883 8.587381 1680.357   70.34581 1680.357   70.34581 ?          ?        409.5883 8.587381 ?        ?        ?         ?        
1 1 1 5  37 4  o 879.5233 22.25299 7811.789   391.4404 7811.789   391.4404 ?          ?        879.5233 22.25299 ?        ?        ?         ?        
1 1 1 5  37 5  o 687.1862 17.37778 4754.583   238.8354 4754.583   238.8354 ?          ?        687.1862 17.37778 ?        ?        ?         ?        
1 1 1 5  37 6  o 690.6990 19.17850 4815.285   264.9314 4815.285   264.9314 ?          ?        690.6990 19.17850 ?        ?        ?         ?        
1 1 1 5  37 7  o 151.8745 5.789796 230.8931   17.58645 230.8931   17.58645 ?          ?        151.8745 5.789796 ?        ?        ?         ?        
1 1 1 5  37 8  o 488.0530 11.79819 2392.892   115.1629 2392.892   115.1629 ?          ?        488.0530 11.79819 ?        ?        ?         ?        
1 1 1 5  37 9  o 624.4474 16.03487 3935.395   200.2587 3935.395   200.2587 ?          ?        624.4474 16.03487 ?        ?        ?         ?        
1 1 1 5  37 10 o 527.2035 13.77363 2804.188   145.2301 2804.188   145.2301 ?          ?        527.2035 13.77363 ?        ?        ?         ?        
1 1 1 5  37 11 o 326.4666 8.254132 1069.937   53.89397 1069.937   53.89397 ?          ?        326.4666 8.254132 ?        ?        ?         ?        
1 1 1 5  37 12 o 188.5531 6.769639 356.8348   25.52872 356.8348   25.52872 ?          ?        188.5531 6.769639 ?        ?        ?         ?        
1 1 1 5  37 13 o 338.2024 8.219322 1153.331   55.59589 1153.331   55.59589 ?          ?        338.2024 8.219322 ?        ?        ?         ?        
1 1 1 5  37 14 o 372.5711 8.983788 1406.349   66.94199 1406.349   66.94199 ?          ?        372.5711 8.983788 ?        ?        ?         ?        
1 1 1 5  37 15 o 205.9386 6.611349 428.3152   27.23064 428.3152   27.23064 ?          ?        205.9386 6.611349 ?        ?        ?         ?        
1 1 1 5  37 16 o 144.0929 6.299325 209.9028   18.15376 209.9028   18.15376 ?          ?        144.0929 6.299325 ?        ?        ?         ?        
1 1 1 5  37 17 f 156.1695 6.357090 247.3450   19.85567 247.3450   19.85567 ?          ?        156.1695 6.357090 ?        ?        ?         ?        
1 1 1 5  38 0  o 204.1844 8.225204 419.2384   33.47099 419.2384   33.47099 419.2384   33.47099 204.1844 8.225204 204.1844 8.225204 -0.000000 0.000000 
1 1 1 5  38 1  o 862.0948 17.30682 7480.483   298.4024 7480.483   298.4024 ?          ?        862.0948 17.30682 ?        ?        ?         ?        
1 1 1 5  38 2  o 69.79263 8.534858 48.78823   11.91340 48.78823   11.91340 ?          ?        69.79263 8.534858 ?        ?        ?         ?        
1 1 1 5  38 3  f 638.1176 13.73550 4087.432   175.2972 4087.432   175.2972 ?          ?        638.1176 13.73550 ?        ?        ?         ?        
1 1 1 5  38 4  o 436.0250 10.47372 1905.578   91.33610 1905.578   91.33610 ?          ?        436.0250 10.47372 ?        ?        ?         ?        
1 1 1 5  38 5  o 260.5098 7.621853 679.6313   39.71135 679.6313   39.71135 ?          ?        260.5098 7.621853 ?        ?        ?         ?        
1 1 1 5  38 6  o 408.3580 13.19773 1675.819   107.7879 1675.819   107.7879 ?          ?        408.3580 13.19773 ?        ?        ?         ?        
1 1 1 5  38 7  o 65.39366 11.70060 44.24979   14.74993 44.24979   14.74993 ?          ?        65.39366 11.70060 ?        ?        ?         ?        
1 1 1 5  38 8  o 365.0102 8.625903 1336.003   62.97085 1336.003   62.97085 ?          ?        365.0102 8.625903 ?        ?        ?         ?        
1 1 1 5  38 9  o 257.0758 6.951298 662.0449   35.74022 662.0449   35.74022 ?          ?        257.0758 6.951298 ?        ?        ?         ?        
1 1 1 5  38 10 o 255.3786 6.886424 653.5353   35.17290 653.5353   35.17290 ?          ?        255.3786 6.886424 ?        ?        ?         ?        
1 1 1 5  38 11 o 58.68609 14.94068 36.30752   17.58645 36.30752   17.58645 ?          ?        58.68609 14.94068 ?        ?        ?         ?        
1 1 1 5  38 12 o 436.2527 11.70364 1926.568   102.1149 1926.568   102.1149 ?          ?        436.2527 11.70364 ?        ?        ?         ?        
1 1 1 5  38 13 o 268.1100 7.088402 723.3138   38.00943 723.3138   38.00943 ?          ?        268.1100 7.088402 ?        ?        ?         ?        
1 1 1 5  38 14 o 224.0240 6.584083 505.4687   29.49986 505.4687   29.49986 ?          ?        224.0240 6.584083 ?        ?        ?         ?        
1 1 1 5  38 15 o 186.3159 6.546439 350.5945   24.39412 350.5945   24.39412 ?          ?        186.3159 6.546439 ?        ?        ?         ?        
1 1 1 5  38 16 o 77.72002 10.58405 62.40355   16.45185 62.40355   16.45185 ?          ?        77.72002 10.58405 ?        ?        ?         ?        
1 1 1 5  39 0  o 78.26342 13.91420 66.37468   19.85567 66.37468   19.85567 66.37468   19.85567 78.26342 13.91420 78.26342 13.91420 -0.000000 0.000000 
1 1 1 5  39 1  o 144.2460 5.506058 208.2009   15.88454 208.2009   15.88454 ?          ?        144.2460 5.506058 ?        ?        ?         ?        
1 1 1 5  39 2  o 541.0760 11.00899 2934.669   119.1340 2934.669   119.1340 ?          ?        541.0760 11.00899 ?        ?        ?         ?        
1 1 1 5  39 3  o 355.4696 7.580672 1265.090   53.89397 1265.090   53.89397 ?          ?        355.4696 7.580672 ?        ?        ?         ?        
1 1 1 5  39 4  o 540.7216 12.74733 2935.236   137.8551 2935.236   137.8551 ?          ?        540.7216 12.74733 ?        ?        ?         ?        
1 1 1 5  39 5  o 353.1419 8.112576 1249.206   57.29780 1249.206   57.29780 ?          ?        353.1419 8.112576 ?        ?        ?         ?        
1 1 1 5  39 6  o 288.7253 7.564713 835.0729   43.68248 835.0729   43.68248 ?          ?        288.7253 7.564713 ?        ?        ?         ?        
1 1 1 5  39 7  o 302.6744 7.872092 917.8995   47.65361 917.8995   47.65361 ?          ?        302.6744 7.872092 ?        ?        ?         ?        
1 1 1 5  39 8  o 165.7633 5.989164 275.1429   19.85567 275.1429   19.85567 ?          ?        165.7633 5.989164 ?        ?        ?         ?        
1 1 1 5  39 9  o 286.0045 7.239966 819.7557   41.41326 819.7557   41.41326 ?          ?        286.0045 7.239966 ?        ?        ?         ?        
1 1 1 5  39 10 o 513.1855 12.38113 2654.420   127.0763 2654.420   127.0763 ?          ?        513.1855 12.38113 ?        ?        ?         ?        
1 1 1 5  39 11 o 598.2698 14.60294 3631.886   174.7299 3631.886   174.7299 ?          ?        598.2698 14.60294 ?        ?        ?         ?        
1 1 1 5  39 12 o 129.3068 6.800283 167.9223   17.58645 167.9223   17.58645 ?          ?        129.3068 6.800283 ?        ?        ?         ?        
1 1 1 5  39 13 o 74.53995 12.17720 56.73050   18.15376 56.73050   18.15376 ?          ?        74.53995 12.17720 ?        ?        ?         ?        
1 1 1 5  39 14 o 158.0035 6.283301 251.3161   19.85567 251.3161   19.85567 ?          ?        158.0035 6.283301 ?        ?        ?         ?        
1 1 1 5  39 15 o 221.0551 6.800832 494.6899   30.06716 494.6899   30.06716 ?          ?        221.0551 6.800832 ?        ?        ?         ?        
1 1 1 5  39 16 o 152.1053 6.899920 234.8643   20.99029 234.8643   20.99029 ?          ?        152.1053 6.899920 ?        ?        ?         ?        
1 1 1 5  40 0  o 310.1336 9.715885 965.5530   60.13433 965.5530   60.13433 965.5530   60.13433 310.1336 9.715885 310.1336 9.715885 -0.000000 0.000000 
1 1 1 5  40 1  o 223.1069 5.721187 498.0938   25.52872 498.0938   25.52872 ?          ?        223.1069 5.721187 ?        ?        ?         ?        
1 1 1 5  40 2  o 1135.312 22.66099 13030.99   514.5456 13030.99   514.5456 ?          ?        1135.312 22.66099 ?        ?        ?         ?        
1 1 1 5  40 3  o 278.1205 6.833268 774.3713   38.00943 774.3713   38.00943 ?          ?        278.1205 6.833268 ?        ?        ?         ?        
1 1 1 5  40 4  o 127.3054 6.684381 162.2492   17.01915 162.2492   17.01915 ?          ?        127.3054 6.684381 ?        ?        ?         ?        
1 1 1 5  40 5  o 348.5424 9.440371 1218.004   65.80738 1218.004   65.80738 ?          ?        348.5424 9.440371 ?        ?        ?         ?        
1 1 1 5  40 6  o 268.9563 7.066099 724.4484   38.00943 724.4484   38.00943 ?          ?        268.9563 7.066099 ?        ?        ?         ?        
1 1 1 5  40 7  o 213.9109 7.027965 458.3824   30.06716 458.3824   30.06716 ?          ?        213.9109 7.027965 ?        ?        ?         ?        
1 1 1 5  40 8  f 357.4727 8.966484 1281.542   64.10546 1281.542   64.10546 ?          ?        357.4727 8.966484 ?        ?        ?         ?        
1 1 1 5  40 9  o 179.0222 6.337818 321.0946   22.69220 321.0946   22.69220 ?          ?        179.0222 6.337818 ?        ?        ?         ?        
1 1 1 5  40 10 o 325.4930 7.930241 1063.130   51.62476 1063.130   51.62476 ?          ?        325.4930 7.930241 ?        ?        ?         ?        
1 1 1 5  40 11 o 72.78315 9.743069 53.32666   14.18262 53.32666   14.18262 ?          ?        72.78315 9.743069 ?        ?        ?         ?        
1 1 1 5  40 12 o 286.4954 7.227561 825.9961   41.41326 825.9961   41.41326 ?          ?        286.4954 7.227561 ?        ?        ?         ?        
1 1 1 5  40 13 o 113.7900 7.229037 130.4801   16.45185 130.4801   16.45185 ?          ?        113.7900 7.229037 ?        ?        ?         ?        
1 1 1 5  40 14 o 203.0893 7.681787 416.9691   31.20177 416.9691   31.20177 ?          ?        203.0893 7.681787 ?        ?        ?         ?        
1 1 1 5  40 15 o 63.92671 15.27317 44.81709   19.28837 44.81709   19.28837 ?          ?        63.92671 15.27317 ?        ?        ?         ?        
1 1 1 5  40 16 o 111.0051 7.410403 125.3744   16.45185 125.3744   16.45185 ?          ?        111.0051 7.410403 ?        ?        ?         ?        
1 1 1 5  41 0  o 460.9074 14.61782 2135.903   134.4513 2135.903   134.4513 2135.903   134.4513 460.9074 14.61782 460.9074 14.61782 -0.000000 0.000000 
1 1 1 5  41 1  o 545.8762 11.95144 2989.697   130.4801 2989.697   130.4801 ?          ?        545.8762 11.95144 ?        ?        ?         ?        
1 1 1 5  41 2  o 421.1996 9.428154 1777.934   79.42269 1777.934   79.42269 ?          ?        421.1996 9.428154 ?        ?        ?         ?        
1 1 1 5  41 3  o 687.1136 16.01732 4751.746   220.1143 4751.746   220.1143 ?          ?        687.1136 16.01732 ?        ?        ?         ?        
1 1 1 5  41 4  o 379.8746 8.661723 1446.060   65.80738 1446.060   65.80738 ?          ?        379.8746 8.661723 ?        ?        ?         ?        
1 1 1 5  41 5  o 507.0840 16.33389 2592.016   165.6530 2592.016   165.6530 ?          ?        507.0840 16.33389 ?        ?        ?         ?        
1 1 1 5  41 6  o 285.1722 7.460032 814.6500   42.54787 814.6500   42.54787 ?          ?        285.1722 7.460032 ?        ?        ?         ?        
1 1 1 5  41 7  o 388.5885 11.89828 1518.108   92.47070 1518.108   92.47070 ?          ?        388.5885 11.89828 ?        ?        ?         ?        
1 1 1 5  41 8  f 297.8546 7.332853 888.9669   43.68248 888.9669   43.68248 ?          ?        297.8546 7.332853 ?        ?        ?         ?        
1 1 1 5  41 9  f 252.9231 6.953280 641.0546   35.17290 641.0546   35.17290 ?          ?        252.9231 6.953280 ?        ?        ?         ?        
1 1 1 5  41 10 o 312.7689 7.708714 982.0049   48.22092 982.0049   48.22092 ?          ?        312.7689 7.708714 ?        ?        ?         ?        
1 1 1 5  41 11 o 296.8490 7.548802 885.5631   44.81709 885.5631   44.81709 ?          ?        296.8490 7.548802 ?        ?        ?         ?        
1 1 1 5  41 12 o 190.3845 6.257550 364.2098   23.82681 364.2098   23.82681 ?          ?        190.3845 6.257550 ?        ?        ?         ?        
1 1 1 5  41 13 o 392.2649 9.328179 1560.089   73.18234 1560.089   73.18234 ?          ?        392.2649 9.328179 ?        ?        ?         ?        
1 1 1 5  41 14 o 257.8069 6.931587 671.6891   35.74022 671.6891   35.74022 ?          ?        257.8069 6.931587 ?        ?        ?         ?        
1 1 1 5  41 15 o 126.1450 6.745865 161.1146   17.01915 161.1146   17.01915 ?          ?        126.1450 6.745865 ?        ?        ?         ?        
1 1 1 5  41 16 o 161.0069 8.104009 264.9314   26.09603 264.9314   26.09603 ?          ?        161.0069 8.104009 ?        ?        ?         ?        
1 1 1 5  42 0  o 168.1828 8.650006 285.3544   28.93255 285.3544   28.93255 285.3544   28.93255 168.1828 8.650006 168.1828 8.650006 -0.000000 0.000000 
1 1 1 5  42 1  o 623.2874 14.69944 3905.895   183.2395 3905.895   183.2395 ?          ?        623.2874 14.69944 ?        ?        ?         ?        
1 1 1 5  42 2  o 363.9485 8.339314 1326.926   60.70163 1326.926   60.70163 ?          ?        363.9485 8.339314 ?        ?        ?         ?        
1 1 1 5  42 3  o 131.0266 6.711022 171.8934   17.58645 171.8934   17.58645 ?          ?        131.0266 6.711022 ?        ?        ?         ?        
1 1 1 5  42 4  f 350.3020 8.664186 1229.917   60.70163 1229.917   60.70163 ?          ?        350.3020 8.664186 ?        ?        ?         ?        
1 1 1 5  42 5  o 896.2050 22.69334 8155.576   406.7577 8155.576   406.7577 ?          ?        896.2050 22.69334 ?        ?        ?         ?        
1 1 1 5  42 6  o 266.3867 6.921296 710.8331   36.87482 710.8331   36.87482 ?          ?        266.3867 6.921296 ?        ?        ?         ?        
1 1 1 5  42 7  o 525.5502 16.94736 2790.573   178.1338 2790.573   178.1338 ?          ?        525.5502 16.94736 ?        ?        ?         ?        
1 1 1 5  42 8  o 144.4765 8.049581 209.3355   23.25950 209.3355   23.25950 ?          ?        144.4765 8.049581 ?        ?        ?         ?        
1 1 1 5  42 9  o 206.1730 6.603832 426.0460   27.23064 426.0460   27.23064 ?          ?        206.1730 6.603832 ?        ?        ?         ?        
1 1 1 5  42 10 o 106.5480 7.986610 114.0283   17.01915 114.0283   17.01915 ?          ?        106.5480 7.986610 ?        ?        ?         ?        
1 1 1 5  42 11 o 329.4972 8.178214 1092.062   53.89397 1092.062   53.89397 ?          ?        329.4972 8.178214 ?        ?        ?         ?        
1 1 1 5  42 12 o 115.0678 7.395271 133.3167   17.01915 133.3167   17.01915 ?          ?        115.0678 7.395271 ?        ?        ?         ?        
1 1 1 5  42 13 o 94.16131 8.133508 89.63419   15.31723 89.63419   15.31723 ?          ?        94.16131 8.133508 ?        ?        ?         ?        
1 1 1 5  42 14 o 194.0620 6.431301 380.0943   24.96142 380.0943   24.96142 ?          ?        194.0620 6.431301 ?        ?        ?         ?        
1 1 1 5  42 15 o 57.24448 11.80005 35.17290   13.04801 35.17290   13.04801 ?          ?        57.24448 11.80005 ?        ?        ?         ?        
1 1 1 5  42 16 o 106.4655 7.726374 115.7302   16.45185 115.7302   16.45185 ?          ?        106.4655 7.726374 ?        ?        ?         ?        
1 1 1 5  43 0  o 170.1171 9.058128 292.1620   30.63447 292.1620   30.63447 292.1620   30.63447 170.1171 9.058128 170.1171 9.058128 -0.000000 0.000000 
1 1 1 5  43 1  o 54.47239 15.43659 30.63447   17.58645 30.63447   17.58645 ?          ?        54.47239 15.43659 ?        ?        ?         ?        
1 1 1 5  43 2  o 115.6054 7.851604 133.8840   18.15376 133.8840   18.15376 ?          ?        115.6054 7.851604 ?        ?        ?         ?        
1 1 1 5  43 3  o 637.9900 16.18356 4102.750   206.4990 4102.750   206.4990 ?          ?        637.9900 16.18356 ?        ?        ?         ?        
1 1 1 5  43 4  o 145.1761 6.643095 211.0374   19.28837 211.0374   19.28837 ?          ?        145.1761 6.643095 ?        ?        ?         ?        
1 1 1 5  43 5  o 800.3989 20.41280 6493.939   326.7676 6493.939   326.7676 ?          ?        800.3989 20.41280 ?        ?        ?         ?        
1 1 1 5  43 6  o 51.05189 15.08239 26.66333   16.45185 26.66333   16.45185 ?          ?        51.05189 15.08239 ?        ?        ?         ?        
1 1 1 5  43 7  o 563.3937 13.39233 3195.062   150.9031 3195.062   150.9031 ?          ?        563.3937 13.39233 ?        ?        ?         ?        
1 1 1 5  43 8  o 125.1890 7.703700 157.1435   19.28837 157.1435   19.28837 ?          ?        125.1890 7.703700 ?        ?        ?         ?        
1 1 1 5  43 9  o 488.3152 14.28965 2411.613   139.5570 2411.613   139.5570 ?          ?        488.3152 14.28965 ?        ?        ?         ?        
1 1 1 5  43 10 o 256.8860 6.846014 662.0449   35.17290 662.0449   35.17290 ?          ?        256.8860 6.846014 ?        ?        ?         ?        
1 1 1 5  43 11 o 159.4011 6.584111 255.2872   20.99029 255.2872   20.99029 ?          ?        159.4011 6.584111 ?        ?        ?         ?        
1 1 1 5  43 12 o 129.3434 7.017659 168.4896   18.15376 168.4896   18.15376 ?          ?        129.3434 7.017659 ?        ?        ?         ?        
1 1 1 5  43 13 o 220.5969 6.557787 490.1515   28.93255 490.1515   28.93255 ?          ?        220.5969 6.557787 ?        ?        ?         ?        
1 1 1 5  43 14 o 204.4624 6.520350 422.6422   26.66333 422.6422   26.66333 ?          ?        204.4624 6.520350 ?        ?        ?         ?        
1 1 1 5  43 15 o 204.7042 6.789785 424.9114   27.79794 424.9114   27.79794 ?          ?        204.7042 6.789785 ?        ?        ?         ?        
1 1 1 5  44 0  o 154.6092 8.867217 241.6719   27.23064 241.6719   27.23064 241.6719   27.23064 154.6092 8.867217 154.6092 8.867217 -0.000000 0.000000 
1 1 1 5  44 1  o 354.5896 8.319438 1259.984   58.99971 1259.984   58.99971 ?          ?        354.5896 8.319438 ?        ?        ?         ?        
1 1 1 5  44 2  f 296.3989 7.177468 879.8900   42.54787 879.8900   42.54787 ?          ?        296.3989 7.177468 ?        ?        ?         ?        
1 1 1 5  44 3  o 480.6924 10.73967 2318.575   103.2495 2318.575   103.2495 ?          ?        480.6924 10.73967 ?        ?        ?         ?        
1 1 1 5  44 4  o 417.9448 9.569446 1751.838   79.99000 1751.838   79.99000 ?          ?        417.9448 9.569446 ?        ?        ?         ?        
1 1 1 5  44 5  f 253.9540 7.148444 646.1603   36.30752 646.1603   36.30752 ?          ?        253.9540 7.148444 ?        ?        ?         ?        
1 1 1 5  44 6  o 133.4887 8.924655 178.7011   23.82681 178.7011   23.82681 ?          ?        133.4887 8.924655 ?        ?        ?         ?        
1 1 1 5  44 7  o 192.1489 6.495334 369.8828   24.96142 369.8828   24.96142 ?          ?        192.1489 6.495334 ?        ?        ?         ?        
1 1 1 5  44 8  f 455.0624 10.40955 2081.442   94.73994 2081.442   94.73994 ?          ?        455.0624 10.40955 ?        ?        ?         ?        
1 1 1 5  44 9  o 195.8395 6.517767 384.6328   25.52872 384.6328   25.52872 ?          ?        195.8395 6.517767 ?        ?        ?         ?        
1 1 1 5  44 10 o 53.05638 14.89668 29.49986   16.45185 29.49986   16.45185 ?          ?        53.05638 14.89668 ?        ?        ?         ?        
1 1 1 5  44 11 o 191.3733 6.521655 368.1809   24.96142 368.1809   24.96142 ?          ?        191.3733 6.521655 ?        ?        ?         ?        
1 1 1 5  44 12 o 257.8849 7.039480 669.9872   36.30752 669.9872   36.30752 ?          ?        257.8849 7.039480 ?        ?        ?         ?        
1 1 1 5  44 13 o 166.9632 6.285902 280.8159   20.99029 280.8159   20.99029 ?          ?        166.9632 6.285902 ?        ?        ?         ?        
1 1 1 5  44 14 o 216.0829 6.957321 472.5651   30.06716 472.5651   30.06716 ?          ?        216.0829 6.957321 ?        ?        ?         ?        
1 1 1 5  44 15 o 59.39979 13.23616 38.57674   15.31723 38.57674   15.31723 ?          ?        59.39979 13.23616 ?        ?        ?         ?        
1 1 1 5  45 0  o 427.5305 13.76512 1838.635   117.4321 1838.635   117.4321 1838.635   117.4321 427.5305 13.76512 427.5305 13.76512 -0.000000 0.000000 
1 1 1 5  45 1  o 92.72832 9.788682 86.23035   18.15376 86.23035   18.15376 ?          ?        92.72832 9.788682 ?        ?        ?         ?        
1 1 1 5  45 2  o 434.0990 9.670737 1889.693   83.96114 1889.693   83.96114 ?          ?        434.0990 9.670737 ?        ?        ?         ?        
1 1 1 5  45 3  o 64.75463 13.16095 43.68248   16.45185 43.68248   16.45185 ?          ?        64.75463 13.16095 ?        ?        ?         ?        
1 1 1 5  45 4  o 215.6442 6.576862 465.7574   28.36525 465.7574   28.36525 ?          ?        215.6442 6.576862 ?        ?        ?         ?        
1 1 1 5  45 5  f 141.1911 6.830590 199.6914   19.28837 199.6914   19.28837 ?          ?        141.1911 6.830590 ?        ?        ?         ?        
1 1 1 5  45 6  o 150.6595 7.719226 227.4893   23.25950 227.4893   23.25950 ?          ?        150.6595 7.719226 ?        ?        ?         ?        
1 1 1 5  45 7  o 245.2013 6.709525 602.4778   32.90369 602.4778   32.90369 ?          ?        245.2013 6.709525 ?        ?        ?         ?        
1 1 1 5  45 8  o 327.3087 7.972909 1075.043   52.19205 1075.043   52.19205 ?          ?        327.3087 7.972909 ?        ?        ?         ?        
1 1 1 5  45 9  o 363.7076 8.734787 1329.763   63.53815 1329.763   63.53815 ?          ?        363.7076 8.734787 ?        ?        ?         ?        
1 1 1 5  45 10 o 108.0523 8.137934 117.4321   17.58645 117.4321   17.58645 ?          ?        108.0523 8.137934 ?        ?        ?         ?        
1 1 1 5  45 11 o 126.9544 7.373143 162.2492   18.72106 162.2492   18.72106 ?          ?        126.9544 7.373143 ?        ?        ?         ?        
1 1 1 5  45 12 o 78.69948 10.09190 62.97085   15.88454 62.97085   15.88454 ?          ?        78.69948 10.09190 ?        ?        ?         ?        
1 1 1 5  45 13 o 357.0030 8.739918 1296.292   62.40355 1296.292   62.40355 ?          ?        357.0030 8.739918 ?        ?        ?         ?        
1 1 1 5  45 14 o 29.43938 12.95584 -2.836525  14.74993 -2.836525  14.74993 ?          ?        29.43938 12.95584 ?        ?        ?         ?        
1 1 1 5  45 15 o 274.6159 8.469832 771.5348   46.51900 771.5348   46.51900 ?          ?        274.6159 8.469832 ?        ?        ?         ?        
1 1 1 5  46 0  o 796.2030 24.81285 6417.922   394.2770 6417.922   394.2770 6417.922   394.2770 796.2030 24.81285 796.2030 24.81285 -0.000000 0.000000 
1 1 1 5  46 1  o 119.1916 8.567291 142.3935   20.42298 142.3935   20.42298 ?          ?        119.1916 8.567291 ?        ?        ?         ?        
1 1 1 5  46 2  o 330.4579 7.982767 1094.331   52.75936 1094.331   52.75936 ?          ?        330.4579 7.982767 ?        ?        ?         ?        
1 1 1 5  46 3  f 366.4987 8.513474 1346.782   62.40355 1346.782   62.40355 ?          ?        366.4987 8.513474 ?        ?        ?         ?        
1 1 1 5  46 4  o 241.7536 6.805213 585.4587   32.90369 585.4587   32.90369 ?          ?        241.7536 6.805213 ?        ?        ?         ?        
1 1 1 5  46 5  o 841.4158 21.33927 7195.696   359.1040 7195.696   359.1040 ?          ?        841.4158 21.33927 ?        ?        ?         ?        
1 1 1 5  46 6  o 222.9527 6.742946 498.0938   30.06716 498.0938   30.06716 ?          ?        222.9527 6.742946 ?        ?        ?         ?        
1 1 1 5  46 7  o 248.8537 6.839017 620.6317   34.03830 620.6317   34.03830 ?          ?        248.8537 6.839017 ?        ?        ?         ?        
1 1 1 5  46 8  o 359.0162 9.164959 1295.725   65.80738 1295.725   65.80738 ?          ?        359.0162 9.164959 ?        ?        ?         ?        
1 1 1 5  46 9  f 121.4354 7.474656 148.0666   18.15376 148.0666   18.15376 ?          ?        121.4354 7.474656 ?        ?        ?         ?        
1 1 1 5  46 10 o 229.2250 6.805927 528.1609   31.20177 528.1609   31.20177 ?          ?        229.2250 6.805927 ?        ?        ?         ?        
1 1 1 5  46 11 o 214.9099 7.127282 465.1901   30.63447 465.1901   30.63447 ?          ?        214.9099 7.127282 ?        ?        ?         ?        
1 1 1 5  46 12 o 124.2843 7.759776 156.0089   19.28837 156.0089   19.28837 ?          ?        124.2843 7.759776 ?        ?        ?         ?        
1 1 1 5  46 13 o 205.9029 6.750255 428.3152   27.79794 428.3152   27.79794 ?          ?        205.9029 6.750255 ?        ?        ?         ?        
1 1 1 5  46 14 o 205.7493 6.893157 428.8826   28.36525 428.8826   28.36525 ?          ?        205.7493 6.893157 ?        ?        ?         ?        
1 1 1 5  46 15 o 185.1101 7.202019 348.8925   26.66333 348.8925   26.66333 ?          ?        185.1101 7.202019 ?        ?        ?         ?        
1 1 1 5  47 0  o 203.4587 9.807708 417.5364   39.71135 417.5364   39.71135 417.5364   39.71135 203.4587 9.807708 203.4587 9.807708 -0.000000 0.000000 
1 1 1 5  47 1  o 282.0394 7.442323 797.0634   41.98057 797.0634   41.98057 ?          ?        282.0394 7.442323 ?        ?        ?         ?        
1 1 1 5  47 2  f 359.0739 8.531522 1292.888   61.26894 1292.888   61.26894 ?          ?        359.0739 8.531522 ?        ?        ?         ?        
1 1 1 5  47 3  f 374.6940 8.857185 1408.051   66.37468 1408.051   66.37468 ?          ?        374.6940 8.857185 ?        ?        ?         ?        
1 1 1 5  47 4  o 413.0566 9.408005 1711.559   77.72078 1711.559   77.72078 ?          ?        413.0566 9.408005 ?        ?        ?         ?        
1 1 1 5  47 5  o 315.9594 7.720650 1000.726   48.78823 1000.726   48.78823 ?          ?        315.9594 7.720650 ?        ?        ?         ?        
1 1 1 5  47 6  o 245.8936 6.805993 605.8817   33.47099 605.8817   33.47099 ?          ?        245.8936 6.805993 ?        ?        ?         ?        
1 1 1 5  47 7  o 210.1046 6.615263 442.4978   27.79794 442.4978   27.79794 ?          ?        210.1046 6.615263 ?        ?        ?         ?        
1 1 1 5  47 8  o 158.4668 6.622931 251.8834   20.99029 251.8834   20.99029 ?          ?        158.4668 6.622931 ?        ?        ?         ?        
1 1 1 5  47 9  o 138.1137 7.598916 191.7491   20.99029 191.7491   20.99029 ?          ?        138.1137 7.598916 ?        ?        ?         ?        
1 1 1 5  47 10 o 168.0896 6.918783 284.2198   23.25950 284.2198   23.25950 ?          ?        168.0896 6.918783 ?        ?        ?         ?        
1 1 1 5  47 11 o 184.5384 6.455786 342.6522   23.82681 342.6522   23.82681 ?          ?        184.5384 6.455786 ?        ?        ?         ?        
1 1 1 5  47 12 f 35.10410 15.12693 -0.5673050 19.28837 -0.5673050 19.28837 ?          ?        35.10410 15.12693 ?        ?        ?         ?        
1 1 1 5  47 13 o 190.0978 6.416200 365.3444   24.39412 365.3444   24.39412 ?          ?        190.0978 6.416200 ?        ?        ?         ?        
1 1 1 5  47 14 o 114.3722 7.936265 133.3167   18.15376 133.3167   18.15376 ?          ?        114.3722 7.936265 ?        ?        ?         ?        
1 1 1 5  47 15 o 200.0968 6.804366 406.7577   27.23064 406.7577   27.23064 ?          ?        200.0968 6.804366 ?        ?        ?         ?        
1 1 1 5  48 0  o 481.8456 15.57689 2339.566   149.7685 2339.566   149.7685 2339.566   149.7685 481.8456 15.57689 481.8456 15.57689 -0.000000 0.000000 
1 1 1 5  48 1  o 574.2105 13.58464 3319.869   156.0089 3319.869   156.0089 ?          ?        574.2105 13.58464 ?        ?        ?         ?        
1 1 1 5  48 2  o 197.3912 6.897634 390.3058   27.23064 390.3058   27.23064 ?          ?        197.3912 6.897634 ?        ?        ?         ?        
1 1 1 5  48 3  o 418.2717 9.561968 1755.241   79.99000 1755.241   79.99000 ?          ?        418.2717 9.561968 ?        ?        ?         ?        
1 1 1 5  48 4  o 290.2358 7.329879 844.1498   42.54787 844.1498   42.54787 ?          ?        290.2358 7.329879 ?        ?        ?         ?        
1 1 1 5  48 5  o 313.1968 7.788751 983.7067   48.78823 983.7067   48.78823 ?          ?        313.1968 7.788751 ?        ?        ?         ?        
1 1 1 5  48 6  o 440.5247 10.30235 1950.962   90.76879 1950.962   90.76879 ?          ?        440.5247 10.30235 ?        ?        ?         ?        
1 1 1 5  48 7  o 313.5846 7.779117 987.1107   48.78823 987.1107   48.78823 ?          ?        313.5846 7.779117 ?        ?        ?         ?        
1 1 1 5  48 8  o 62.64723 14.72181 41.41326   18.15376 41.41326   18.15376 ?          ?        62.64723 14.72181 ?        ?        ?         ?        
1 1 1 5  48 9  o 347.1169 8.416820 1212.898   58.43241 1212.898   58.43241 ?          ?        347.1169 8.416820 ?        ?        ?         ?        
1 1 1 5  48 10 o 156.1091 6.722953 245.0758   20.99029 245.0758   20.99029 ?          ?        156.1091 6.722953 ?        ?        ?         ?        
1 1 1 5  48 11 o 173.2518 6.712629 302.3735   23.25950 302.3735   23.25950 ?          ?        173.2518 6.712629 ?        ?        ?         ?        
1 1 1 5  48 12 o 57.19133 13.16030 35.17290   14.74993 35.17290   14.74993 ?          ?        57.19133 13.16030 ?        ?        ?         ?        
1 1 1 5  48 13 o 306.7526 8.599662 958.1780   52.75936 958.1780   52.75936 ?          ?        306.7526 8.599662 ?        ?        ?         ?        
1 1 1 5  48 14 o 95.40500 8.324795 93.03801   15.88454 93.03801   15.88454 ?          ?        95.40500 8.324795 ?        ?        ?         ?        
1 1 1 5  49 0  o 140.9827 11.41276 203.0952   31.76908 203.0952   31.76908 203.0952   31.76908 140.9827 11.41276 140.9827 11.41276 -0.000000 0.000000 
1 1 1 5  49 1  f 643.6935 14.14531 4173.095   182.1049 4173.095   182.1049 ?          ?        643.6935 14.14531 ?        ?        ?         ?        
1 1 1 5  49 2  o 96.88724 9.368499 94.17262   18.15376 94.17262   18.15376 ?          ?        96.88724 9.368499 ?        ?        ?         ?        
1 1 1 5  49 3  o 462.7551 10.35910 2150.653   95.87454 2150.653   95.87454 ?          ?        462.7551 10.35910 ?        ?        ?         ?        
1 1 1 5  49 4  o 275.9866 7.297211 763.5925   40.27865 763.5925   40.27865 ?          ?        275.9866 7.297211 ?        ?        ?         ?        
1 1 1 5  49 5  o 703.4348 17.98447 5020.648   253.0180 5020.648   253.0180 ?          ?        703.4348 17.98447 ?        ?        ?         ?        
1 1 1 5  49 6  f 458.5251 10.57839 2115.480   97.00916 2115.480   97.00916 ?          ?        458.5251 10.57839 ?        ?        ?         ?        
1 1 1 5  49 7  o 189.7736 7.025037 361.3732   26.66333 361.3732   26.66333 ?          ?        189.7736 7.025037 ?        ?        ?         ?        
1 1 1 5  49 8  o 179.1370 6.808785 322.2292   24.39412 322.2292   24.39412 ?          ?        179.1370 6.808785 ?        ?        ?         ?        
1 1 1 5  49 9  o 127.3949 7.347651 163.3838   18.72106 163.3838   18.72106 ?          ?        127.3949 7.347651 ?        ?        ?         ?        
1 1 1 5  49 10 o 92.55994 9.500035 86.79766   17.58645 86.79766   17.58645 ?          ?        92.55994 9.500035 ?        ?        ?         ?        
1 1 1 5  49 11 o 172.4220 6.744936 299.5370   23.25950 299.5370   23.25950 ?          ?        172.4220 6.744936 ?        ?        ?         ?        
1 1 1 5  49 12 o 112.9138 8.038772 129.3455   18.15376 129.3455   18.15376 ?          ?        112.9138 8.038772 ?        ?        ?         ?        
1 1 1 5  49 13 o 43.27488 15.24641 18.15376   16.45185 18.15376   16.45185 ?          ?        43.27488 15.24641 ?        ?        ?         ?        
1 1 1 5  49 14 o 60.81779 14.23011 40.84595   17.01915 40.84595   17.01915 ?          ?        60.81779 14.23011 ?        ?        ?         ?        
1 1 1 5  50 0  o 42.50054 23.54740 25.52872   28.93255 25.52872   28.93255 25.52872   28.93255 42.50054 23.54740 42.50054 23.54740 -0.000000 0.000000 
1 1 1 5  50 1  o 600.9881 13.30975 3637.560   159.9800 3637.560   159.9800 ?          ?        600.9881 13.30975 ?        ?        ?         ?        
1 1 1 5  50 2  o 251.0184 6.893040 631.4105   34.60560 631.4105   34.60560 ?          ?        251.0184 6.893040 ?        ?        ?         ?        
1 1 1 5  50 3  o 171.7078 7.268573 295.5659   24.96142 295.5659   24.96142 ?          ?        171.7078 7.268573 ?        ?        ?         ?        
1 1 1 5  50 4  o 239.7200 6.744614 575.8145   32.33638 575.8145   32.33638 ?          ?        239.7200 6.744614 ?        ?        ?         ?        
1 1 1 5  50 5  o 142.0768 7.786242 202.5279   22.12490 202.5279   22.12490 ?          ?        142.0768 7.786242 ?        ?        ?         ?        
1 1 1 5  50 6  o 113.6835 8.732876 129.9128   19.85567 129.9128   19.85567 ?          ?        113.6835 8.732876 ?        ?        ?         ?        
1 1 1 5  50 7  o 238.4785 7.017614 570.7088   33.47099 570.7088   33.47099 ?          ?        238.4785 7.017614 ?        ?        ?         ?        
1 1 1 5  50 8  o 64.24757 14.47517 43.68248   18.15376 43.68248   18.15376 ?          ?        64.24757 14.47517 ?        ?        ?         ?        
1 1 1 5  50 9  o 317.7120 7.945897 1017.178   50.49014 1017.178   50.49014 ?          ?        317.7120 7.945897 ?        ?        ?         ?        
1 1 1 5  50 10 o 134.6293 7.163509 182.6722   19.28837 182.6722   19.28837 ?          ?        134.6293 7.163509 ?        ?        ?         ?        
1 1 1 5  50 11 f 138.2158 7.388075 192.8837   20.42298 192.8837   20.42298 ?          ?        138.2158 7.388075 ?        ?        ?         ?        
1 1 1 5  50 12 o 22.83120 11.16584 -31.20177  17.01915 -31.20177  17.01915 ?          ?        22.83120 11.16584 ?        ?        ?         ?        
1 1 1 5  50 13 o 212.1367 7.487878 457.2478   31.76908 457.2478   31.76908 ?          ?        212.1367 7.487878 ?        ?        ?         ?        
1 1 1 5  50 14 o 84.13791 12.81086 74.88425   21.55759 74.88425   21.55759 ?          ?        84.13791 12.81086 ?        ?        ?         ?        
1 1 1 5  51 0  o 219.5853 9.860135 486.1804   43.11518 486.1804   43.11518 486.1804   43.11518 219.5853 9.860135 219.5853 9.860135 -0.000000 0.000000 
1 1 1 5  51 1  o 252.5585 7.075632 639.3527   35.74022 639.3527   35.74022 ?          ?        252.5585 7.075632 ?        ?        ?         ?        
1 1 1 5  51 2  o 159.9141 7.804632 256.4218   24.96142 256.4218   24.96142 ?          ?        159.9141 7.804632 ?        ?        ?         ?        
1 1 1 5  51 3  o 338.7553 8.205907 1151.062   55.59589 1151.062   55.59589 ?          ?        338.7553 8.205907 ?        ?        ?         ?        
1 1 1 5  51 4  o 277.9620 8.265825 775.5059   45.95170 775.5059   45.95170 ?          ?        277.9620 8.265825 ?        ?        ?         ?        
1 1 1 5  51 5  o 407.7857 9.529611 1672.415   77.72078 1672.415   77.72078 ?          ?        407.7857 9.529611 ?        ?        ?         ?        
1 1 1 5  51 6  o 218.7229 6.873347 479.9400   30.06716 479.9400   30.06716 ?          ?        218.7229 6.873347 ?        ?        ?         ?        
1 1 1 5  51 7  o 578.9807 13.96264 3411.205   161.6819 3411.205   161.6819 ?          ?        578.9807 13.96264 ?        ?        ?         ?        
1 1 1 5  51 8  o 122.3481 8.114421 150.9031   19.85567 150.9031   19.85567 ?          ?        122.3481 8.114421 ?        ?        ?         ?        
1 1 1 5  51 9  o 221.8078 6.905633 495.2573   30.63447 495.2573   30.63447 ?          ?        221.8078 6.905633 ?        ?        ?         ?        
1 1 1 5  51 10 o 75.54472 12.01524 58.43241   18.15376 58.43241   18.15376 ?          ?        75.54472 12.01524 ?        ?        ?         ?        
1 1 1 5  51 11 o 318.6638 8.189202 1030.226   52.19205 1030.226   52.19205 ?          ?        318.6638 8.189202 ?        ?        ?         ?        
1 1 1 5  51 12 o 112.7775 8.299998 129.3455   18.72106 129.3455   18.72106 ?          ?        112.7775 8.299998 ?        ?        ?         ?        
1 1 1 5  51 13 o 211.6667 8.040543 457.2478   34.03830 457.2478   34.03830 ?          ?        211.6667 8.040543 ?        ?        ?         ?        
1 1 1 5  52 0  o 139.7036 11.52212 199.6914   31.76908 199.6914   31.76908 199.6914   31.76908 139.7036 11.52212 139.7036 11.52212 -0.000000 0.000000 
1 1 1 5  52 1  o 311.7434 7.916050 974.6299   49.35553 974.6299   49.35553 ?          ?        311.7434 7.916050 ?        ?        ?         ?        
1 1 1 5  52 2  o 249.6999 7.270232 625.1701   36.30752 625.1701   36.30752 ?          ?        249.6999 7.270232 ?        ?        ?         ?        
1 1 1 5  52 3  o 590.0083 13.99012 3518.426   165.0858 3518.426   165.0858 ?          ?        590.0083 13.99012 ?        ?        ?         ?        
1 1 1 5  52 4  o 52.88309 17.02397 27.79794   20.42298 27.79794   20.42298 ?          ?        52.88309 17.02397 ?        ?        ?         ?        
1 1 1 5  52 5  o 349.9302 9.159750 1231.619   64.10546 1231.619   64.10546 ?          ?        349.9302 9.159750 ?        ?        ?         ?        
1 1 1 5  52 6  o 100.3808 9.890179 101.5476   19.85567 101.5476   19.85567 ?          ?        100.3808 9.890179 ?        ?        ?         ?        
1 1 1 5  52 7  o 245.8012 7.039349 607.0163   34.60560 607.0163   34.60560 ?          ?        245.8012 7.039349 ?        ?        ?         ?        
1 1 1 5  52 8  o 59.23964 15.23813 37.44213   18.15376 37.44213   18.15376 ?          ?        59.23964 15.23813 ?        ?        ?         ?        
1 1 1 5  52 9  o 53.83171 15.82419 30.63447   18.15376 30.63447   18.15376 ?          ?        53.83171 15.82419 ?        ?        ?         ?        
1 1 1 5  52 10 o 24.15470 11.66684 -26.09603  17.01915 -26.09603  17.01915 ?          ?        24.15470 11.66684 ?        ?        ?         ?        
1 1 1 5  52 11 o 243.3367 7.227211 599.0740   35.17290 599.0740   35.17290 ?          ?        243.3367 7.227211 ?        ?        ?         ?        
1 1 1 5  52 12 o 34.25846 14.18906 4.538440   15.88454 4.538440   15.88454 ?          ?        34.25846 14.18906 ?        ?        ?         ?        
1 1 1 5  52 13 o 120.2925 7.781474 147.4993   18.72106 147.4993   18.72106 ?          ?        120.2925 7.781474 ?        ?        ?         ?        
1 1 1 5  53 0  o 335.5402 11.61189 1134.043   77.72078 1134.043   77.72078 1134.043   77.72078 335.5402 11.61189 335.5402 11.61189 -0.000000 0.000000 
1 1 1 5  53 1  o 182.8616 6.980340 335.2772   25.52872 335.2772   25.52872 ?          ?        182.8616 6.980340 ?        ?        ?         ?        
1 1 1 5  53 2  o 286.3665 7.428920 822.5922   42.54787 822.5922   42.54787 ?          ?        286.3665 7.428920 ?        ?        ?         ?        
1 1 1 5  53 3  o 318.7900 8.096985 1020.582   51.62476 1020.582   51.62476 ?          ?        318.7900 8.096985 ?        ?        ?         ?        
1 1 1 5  53 4  o 202.5860 7.140808 411.8634   28.93255 411.8634   28.93255 ?          ?        202.5860 7.140808 ?        ?        ?         ?        
1 1 1 5  53 5  o 283.2490 8.111538 806.1404   45.95170 806.1404   45.95170 ?          ?        283.2490 8.111538 ?        ?        ?         ?        
1 1 1 5  53 6  o 206.5462 6.729231 428.3152   27.79794 428.3152   27.79794 ?          ?        206.5462 6.729231 ?        ?        ?         ?        
1 1 1 5  53 7  o 217.9098 6.898994 477.6707   30.06716 477.6707   30.06716 ?          ?        217.9098 6.898994 ?        ?        ?         ?        
1 1 1 5  53 8  o 56.53276 15.89672 34.03830   18.72106 34.03830   18.72106 ?          ?        56.53276 15.89672 ?        ?        ?         ?        
1 1 1 5  53 9  o 157.5668 6.840778 250.1815   21.55759 250.1815   21.55759 ?          ?        157.5668 6.840778 ?        ?        ?         ?        
1 1 1 5  53 10 o 184.7574 6.755188 344.3541   24.96142 344.3541   24.96142 ?          ?        184.7574 6.755188 ?        ?        ?         ?        
1 1 1 5  53 11 o 302.1153 7.792772 927.5436   47.08631 927.5436   47.08631 ?          ?        302.1153 7.792772 ?        ?        ?         ?        
1 1 1 5  53 12 o 135.3116 7.546647 186.0760   20.42298 186.0760   20.42298 ?          ?        135.3116 7.546647 ?        ?        ?         ?        
1 1 1 5  53 13 o 332.7669 9.973150 1145.956   66.37468 1145.956   66.37468 ?          ?        332.7669 9.973150 ?        ?        ?         ?        
1 1 1 5  54 0  o 346.0143 11.75243 1206.658   81.12460 1206.658   81.12460 1206.658   81.12460 346.0143 11.75243 346.0143 11.75243 -0.000000 0.000000 
1 1 1 5  54 1  o 291.4355 7.689024 852.6594   44.81709 852.6594   44.81709 ?          ?        291.4355 7.689024 ?        ?        ?         ?        
1 1 1 5  54 2  o 308.1385 7.916606 953.6396   48.78823 953.6396   48.78823 ?          ?        308.1385 7.916606 ?        ?        ?         ?        
1 1 1 5  54 3  o 362.0825 8.695651 1317.849   62.97085 1317.849   62.97085 ?          ?        362.0825 8.695651 ?        ?        ?         ?        
1 1 1 5  54 4  o 245.4481 7.280605 604.7471   35.74022 604.7471   35.74022 ?          ?        245.4481 7.280605 ?        ?        ?         ?        
1 1 1 5  54 5  o 304.7188 9.122492 935.4859   55.59589 935.4859   55.59589 ?          ?        304.7188 9.122492 ?        ?        ?         ?        
1 1 1 5  54 6  o 118.5314 9.093616 141.8262   21.55759 141.8262   21.55759 ?          ?        118.5314 9.093616 ?        ?        ?         ?        
1 1 1 5  54 7  o 163.1288 7.129183 267.7679   23.25950 267.7679   23.25950 ?          ?        163.1288 7.129183 ?        ?        ?         ?        
1 1 1 5  54 8  o 196.1120 7.087262 387.4693   27.79794 387.4693   27.79794 ?          ?        196.1120 7.087262 ?        ?        ?         ?        
1 1 1 5  54 9  o 89.25514 10.48739 81.12460   18.72106 81.12460   18.72106 ?          ?        89.25514 10.48739 ?        ?        ?         ?        
1 1 1 5  54 10 o 144.2613 7.864966 211.0374   22.69220 211.0374   22.69220 ?          ?        144.2613 7.864966 ?        ?        ?         ?        
1 1 1 5  54 11 o 114.1346 8.698358 132.7494   19.85567 132.7494   19.85567 ?          ?        114.1346 8.698358 ?        ?        ?         ?        
1 1 1 5  54 12 o 55.46635 14.62167 34.03830   16.45185 34.03830   16.45185 ?          ?        55.46635 14.62167 ?        ?        ?         ?        
1 1 1 5  54 13 o 156.0479 7.270911 247.9123   22.69220 247.9123   22.69220 ?          ?        156.0479 7.270911 ?        ?        ?         ?        
1 1 1 5  55 0  o 125.9615 13.56316 165.0858   33.47099 165.0858   33.47099 165.0858   33.47099 125.9615 13.56316 125.9615 13.56316 -0.000000 0.000000 
1 1 1 5  55 1  o 249.8946 7.491585 626.8720   37.44213 626.8720   37.44213 ?          ?        249.8946 7.491585 ?        ?        ?         ?        
1 1 1 5  55 2  o 118.9947 9.058211 142.3935   21.55759 142.3935   21.55759 ?          ?        118.9947 9.058211 ?        ?        ?         ?        
1 1 1 5  55 3  o 95.97089 11.52688 93.03801   22.12490 93.03801   22.12490 ?          ?        95.97089 11.52688 ?        ?        ?         ?        
1 1 1 5  55 4  o 191.0178 6.979279 366.4790   26.66333 366.4790   26.66333 ?          ?        191.0178 6.979279 ?        ?        ?         ?        
1 1 1 5  55 5  o 309.6060 8.062317 964.9858   49.92284 964.9858   49.92284 ?          ?        309.6060 8.062317 ?        ?        ?         ?        
1 1 1 5  55 6  o 291.0428 7.699399 853.2266   44.81709 853.2266   44.81709 ?          ?        291.0428 7.699399 ?        ?        ?         ?        
1 1 1 5  55 7  o 339.1817 8.279219 1161.841   56.16319 1161.841   56.16319 ?          ?        339.1817 8.279219 ?        ?        ?         ?        
1 1 1 5  55 8  o 55.92703 15.95176 33.47099   18.72106 33.47099   18.72106 ?          ?        55.92703 15.95176 ?        ?        ?         ?        
1 1 1 5  55 9  o 307.6230 8.022079 957.6108   49.35553 957.6108   49.35553 ?          ?        307.6230 8.022079 ?        ?        ?         ?        
1 1 1 5  55 10 f 96.39881 8.827469 94.73994   17.01915 94.73994   17.01915 ?          ?        96.39881 8.827469 ?        ?        ?         ?        
1 1 1 5  55 11 o 35.70285 15.24795 1.701915   19.28837 1.701915   19.28837 ?          ?        35.70285 15.24795 ?        ?        ?         ?        
1 1 1 5  55 12 o 103.2021 9.344954 109.4899   19.28837 109.4899   19.28837 ?          ?        103.2021 9.344954 ?        ?        ?         ?        
1 1 1 5  56 0  o 199.4289 10.00985 402.2192   39.71135 402.2192   39.71135 402.2192   39.71135 199.4289 10.00985 199.4289 10.00985 -0.000000 0.000000 
1 1 1 5  56 1  o 349.0499 8.532738 1225.379   59.56702 1225.379   59.56702 ?          ?        349.0499 8.532738 ?        ?        ?         ?        
1 1 1 5  56 2  o 290.1507 8.309635 846.9863   48.22092 846.9863   48.22092 ?          ?        290.1507 8.309635 ?        ?        ?         ?        
1 1 1 5  56 3  o 218.3412 7.015275 478.8054   30.63447 478.8054   30.63447 ?          ?        218.3412 7.015275 ?        ?        ?         ?        
1 1 1 5  56 4  o 133.4200 8.291449 179.2684   22.12490 179.2684   22.12490 ?          ?        133.4200 8.291449 ?        ?        ?         ?        
1 1 1 5  56 5  o 280.1127 7.594777 790.2558   42.54787 790.2558   42.54787 ?          ?        280.1127 7.594777 ?        ?        ?         ?        
1 1 1 5  56 6  o 78.61394 11.90696 62.97085   18.72106 62.97085   18.72106 ?          ?        78.61394 11.90696 ?        ?        ?         ?        
1 1 1 5  56 7  o 231.5264 7.473359 540.6417   34.60560 540.6417   34.60560 ?          ?        231.5264 7.473359 ?        ?        ?         ?        
1 1 1 5  56 8  o 117.5939 8.924902 140.1243   20.99029 140.1243   20.99029 ?          ?        117.5939 8.924902 ?        ?        ?         ?        
1 1 1 5  56 9  o 308.8141 8.082992 967.8223   49.92284 967.8223   49.92284 ?          ?        308.8141 8.082992 ?        ?        ?         ?        
1 1 1 5  56 10 o 28.60008 13.34510 -15.88454  18.72106 -15.88454  18.72106 ?          ?        28.60008 13.34510 ?        ?        ?         ?        
1 1 1 5  56 11 o 238.2434 7.143599 576.3818   34.03830 576.3818   34.03830 ?          ?        238.2434 7.143599 ?        ?        ?         ?        
1 1 1 5  56 12 o 56.79234 16.18945 36.30752   19.28837 36.30752   19.28837 ?          ?        56.79234 16.18945 ?        ?        ?         ?        
1 1 1 5  57 0  o 144.5396 11.93234 214.4413   34.03830 214.4413   34.03830 214.4413   34.03830 144.5396 11.93234 144.5396 11.93234 -0.000000 0.000000 
1 1 1 5  57 1  o 338.7112 8.458209 1154.466   57.29780 1154.466   57.29780 ?          ?        338.7112 8.458209 ?        ?        ?         ?        
1 1 1 5  57 2  o 101.6753 10.32221 104.3841   20.99029 104.3841   20.99029 ?          ?        101.6753 10.32221 ?        ?        ?         ?        
1 1 1 5  57 3  o 182.3492 7.622174 334.7099   27.79794 334.7099   27.79794 ?          ?        182.3492 7.622174 ?        ?        ?         ?        
1 1 1 5  57 4  o 53.45826 16.73302 29.49986   19.85567 29.49986   19.85567 ?          ?        53.45826 16.73302 ?        ?        ?         ?        
1 1 1 5  57 5  o 158.3423 7.344690 252.4507   23.25950 252.4507   23.25950 ?          ?        158.3423 7.344690 ?        ?        ?         ?        
1 1 1 5  57 6  o 240.6065 7.073437 583.1895   34.03830 583.1895   34.03830 ?          ?        240.6065 7.073437 ?        ?        ?         ?        
1 1 1 5  57 7  o 62.41131 15.13298 41.98057   18.72106 41.98057   18.72106 ?          ?        62.41131 15.13298 ?        ?        ?         ?        
1 1 1 5  57 8  f 110.4673 9.757453 124.2398   21.55759 124.2398   21.55759 ?          ?        110.4673 9.757453 ?        ?        ?         ?        
1 1 1 5  57 9  o 136.2053 7.913640 188.3452   21.55759 188.3452   21.55759 ?          ?        136.2053 7.913640 ?        ?        ?         ?        
1 1 1 5  57 10 o 74.70893 13.39447 60.13433   19.28837 60.13433   19.28837 ?          ?        74.70893 13.39447 ?        ?        ?         ?        
1 1 1 5  57 11 o 127.4805 8.455252 166.2204   21.55759 166.2204   21.55759 ?          ?        127.4805 8.455252 ?        ?        ?         ?        
1 1 1 5  58 0  o 21.27415 15.40329 -49.92284  31.20177 -49.92284  31.20177 -49.92284  31.20177 21.27415 15.40329 21.27415 15.40329 -0.000000 0.000000 
1 1 1 5  58 1  o 369.3332 9.062547 1377.417   66.94199 1377.417   66.94199 ?          ?        369.3332 9.062547 ?        ?        ?         ?        
1 1 1 5  58 2  o 226.6166 7.134601 516.8148   32.33638 516.8148   32.33638 ?          ?        226.6166 7.134601 ?        ?        ?         ?        
1 1 1 5  58 3  o 150.4654 7.729187 228.0566   23.25950 228.0566   23.25950 ?          ?        150.4654 7.729187 ?        ?        ?         ?        
1 1 1 5  58 4  o 108.3880 10.46804 119.1340   22.69220 119.1340   22.69220 ?          ?        108.3880 10.46804 ?        ?        ?         ?        
1 1 1 5  58 5  o 171.7496 7.266803 297.2678   24.96142 297.2678   24.96142 ?          ?        171.7496 7.266803 ?        ?        ?         ?        
1 1 1 5  58 6  o 254.0701 7.368465 651.2661   37.44213 651.2661   37.44213 ?          ?        254.0701 7.368465 ?        ?        ?         ?        
1 1 1 5  58 7  o 103.6801 10.39620 109.4899   21.55759 109.4899   21.55759 ?          ?        103.6801 10.39620 ?        ?        ?         ?        
1 1 1 5  58 8  o 160.8951 7.404453 262.0949   23.82681 262.0949   23.82681 ?          ?        160.8951 7.404453 ?        ?        ?         ?        
1 1 1 5  58 9  o 105.8963 9.375059 114.5956   19.85567 114.5956   19.85567 ?          ?        105.8963 9.375059 ?        ?        ?         ?        
1 1 1 5  58 10 o 226.2314 7.272130 519.6514   32.90369 519.6514   32.90369 ?          ?        226.2314 7.272130 ?        ?        ?         ?        
1 1 1 5  58 11 o 138.1285 8.214164 195.1529   22.69220 195.1529   22.69220 ?          ?        138.1285 8.214164 ?        ?        ?         ?        
1 1 1 5  59 0  o 306.6872 11.13071 951.3704   68.07660 951.3704   68.07660 951.3704   68.07660 306.6872 11.13071 306.6872 11.13071 -0.000000 0.000000 
1 1 1 5  59 1  o 249.0638 7.516573 624.6028   37.44213 624.6028   37.44213 ?          ?        249.0638 7.516573 ?        ?        ?         ?        
1 1 1 5  59 2  o 305.6413 7.795678 941.1589   47.65361 941.1589   47.65361 ?          ?        305.6413 7.795678 ?        ?        ?         ?        
1 1 1 5  59 3  o 34.45233 15.45527 -9.076880  22.12490 -9.076880  22.12490 ?          ?        34.45233 15.45527 ?        ?        ?         ?        
1 1 1 5  59 4  o 55.69910 18.18201 31.76908   23.25950 31.76908   23.25950 ?          ?        55.69910 18.18201 ?        ?        ?         ?        
1 1 1 5  59 5  o 173.6525 7.187177 304.0754   24.96142 304.0754   24.96142 ?          ?        173.6525 7.187177 ?        ?        ?         ?        
1 1 1 5  59 6  o 284.2213 7.684590 815.7845   43.68248 815.7845   43.68248 ?          ?        284.2213 7.684590 ?        ?        ?         ?        
1 1 1 5  59 7  f 171.7000 7.599311 298.4024   26.09603 298.4024   26.09603 ?          ?        171.7000 7.599311 ?        ?        ?         ?        
1 1 1 5  59 8  o 165.1706 7.041054 276.2775   23.25950 276.2775   23.25950 ?          ?        165.1706 7.041054 ?        ?        ?         ?        
1 1 1 5  59 9  o 129.5871 8.536686 171.3261   22.12490 171.3261   22.12490 ?          ?        129.5871 8.536686 ?        ?        ?         ?        
1 1 1 5  59 10 o 112.4233 9.335383 129.9128   20.99029 129.9128   20.99029 ?          ?        112.4233 9.335383 ?        ?        ?         ?        
1 1 1 5  59 11 o 32.06515 14.30466 -5.105744  18.72106 -5.105744  18.72106 ?          ?        32.06515 14.30466 ?        ?        ?         ?        
1 1 1 5  60 0  o 177.0820 10.65192 319.3927   37.44213 319.3927   37.44213 319.3927   37.44213 177.0820 10.65192 177.0820 10.65192 -0.000000 0.000000 
1 1 1 5  60 1  o 49.63951 17.66129 22.69220   22.12490 22.69220   22.12490 ?          ?        49.63951 17.66129 ?        ?        ?         ?        
1 1 1 5  60 2  o 422.8654 9.994721 1814.241   84.52843 1814.241   84.52843 ?          ?        422.8654 9.994721 ?        ?        ?         ?        
1 1 1 5  60 3  o 184.5534 8.607014 344.3541   31.76908 344.3541   31.76908 ?          ?        184.5534 8.607014 ?        ?        ?         ?        
1 1 1 5  60 4  o 100.5743 11.28131 103.2495   22.69220 103.2495   22.69220 ?          ?        100.5743 11.28131 ?        ?        ?         ?        
1 1 1 5  60 5  o 243.4406 7.340646 597.9395   35.74022 597.9395   35.74022 ?          ?        243.4406 7.340646 ?        ?        ?         ?        
1 1 1 5  60 6  o 48.53439 16.99810 22.69220   20.42298 22.69220   20.42298 ?          ?        48.53439 16.99810 ?        ?        ?         ?        
1 1 1 5  60 7  o 160.2775 7.786937 260.3930   24.96142 260.3930   24.96142 ?          ?        160.2775 7.786937 ?        ?        ?         ?        
1 1 1 5  60 8  o 433.4612 11.12462 1936.212   96.44185 1936.212   96.44185 ?          ?        433.4612 11.12462 ?        ?        ?         ?        
1 1 1 5  60 9  o 95.76830 10.66270 94.73994   20.42298 94.73994   20.42298 ?          ?        95.76830 10.66270 ?        ?        ?         ?        
1 1 1 5  60 10 o 31.68356 14.67674 -15.31723  22.12490 -15.31723  22.12490 ?          ?        31.68356 14.67674 ?        ?        ?         ?        
1 1 1 5  61 0  o 99.62223 17.83090 109.4899   32.33638 109.4899   32.33638 109.4899   32.33638 99.62223 17.83090 99.62223 17.83090 -0.000000 0.000000 
1 1 1 5  61 1  o 109.2928 10.38138 121.4033   22.69220 121.4033   22.69220 ?          ?        109.2928 10.38138 ?        ?        ?         ?        
1 1 1 5  61 2  o 267.4651 7.741806 722.1793   41.41326 722.1793   41.41326 ?          ?        267.4651 7.741806 ?        ?        ?         ?        
1 1 1 5  61 3  o 219.8640 8.385827 489.0168   36.87482 489.0168   36.87482 ?          ?        219.8640 8.385827 ?        ?        ?         ?        
1 1 1 5  61 4  o 190.3386 7.749311 365.9117   29.49986 365.9117   29.49986 ?          ?        190.3386 7.749311 ?        ?        ?         ?        
1 1 1 5  61 5  o 221.5376 7.426208 495.8246   32.90369 495.8246   32.90369 ?          ?        221.5376 7.426208 ?        ?        ?         ?        
1 1 1 5  61 6  f 147.8009 8.252358 221.8162   24.39412 221.8162   24.39412 ?          ?        147.8009 8.252358 ?        ?        ?         ?        
1 1 1 5  61 7  o 178.3083 7.158591 322.2292   25.52872 322.2292   25.52872 ?          ?        178.3083 7.158591 ?        ?        ?         ?        
1 1 1 5  61 8  o 148.6250 8.397449 225.2201   24.96142 225.2201   24.96142 ?          ?        148.6250 8.397449 ?        ?        ?         ?        
1 1 1 5  61 9  o 70.23390 15.73929 55.02858   21.55759 55.02858   21.55759 ?          ?        70.23390 15.73929 ?        ?        ?         ?        
1 1 1 5  61 10 o 130.4729 8.696132 174.7299   22.69220 174.7299   22.69220 ?          ?        130.4729 8.696132 ?        ?        ?         ?        
1 1 1 5  62 0  o 200.2766 10.83061 408.4596   43.11518 408.4596   43.11518 408.4596   43.11518 200.2766 10.83061 200.2766 10.83061 -0.000000 0.000000 
1 1 1 5  62 1  o 166.3923 7.841717 279.6813   26.09603 279.6813   26.09603 ?          ?        166.3923 7.841717 ?        ?        ?         ?        
1 1 1 5  62 2  o 138.3607 9.020414 194.0183   24.96142 194.0183   24.96142 ?          ?        138.3607 9.020414 ?        ?        ?         ?        
1 1 1 5  62 3  f 252.1302 7.762664 642.1892   39.14404 642.1892   39.14404 ?          ?        252.1302 7.762664 ?        ?        ?         ?        
1 1 1 5  62 4  o 126.5374 9.414925 162.8165   23.82681 162.8165   23.82681 ?          ?        126.5374 9.414925 ?        ?        ?         ?        
1 1 1 5  62 5  o 183.4558 7.576198 340.9503   27.79794 340.9503   27.79794 ?          ?        183.4558 7.576198 ?        ?        ?         ?        
1 1 1 5  62 6  o 67.85561 15.02942 50.49014   19.85567 50.49014   19.85567 ?          ?        67.85561 15.02942 ?        ?        ?         ?        
1 1 1 5  62 7  o 90.14150 12.27231 84.52843   22.12490 84.52843   22.12490 ?          ?        90.14150 12.27231 ?        ?        ?         ?        
1 1 1 5  62 8  o 200.8861 7.342433 410.1615   29.49986 410.1615   29.49986 ?          ?        200.8861 7.342433 ?        ?        ?         ?        
1 1 1 5  62 9  o 55.91134 18.18200 34.60560   23.25950 34.60560   23.25950 ?          ?        55.91134 18.18200 ?        ?        ?         ?        
1 1 1 5  63 0  o 33.82644 21.20053 9.076880   28.93255 9.076880   28.93255 9.076880   28.93255 33.82644 21.20053 33.82644 21.20053 -0.000000 0.000000 
1 1 1 5  63 1  o 209.8924 7.432802 444.7671   31.20177 444.7671   31.20177 ?          ?        209.8924 7.432802 ?        ?        ?         ?        
1 1 1 5  63 2  o 80.14822 14.70536 68.64390   22.69220 68.64390   22.69220 ?          ?        80.14822 14.70536 ?        ?        ?         ?        
1 1 1 5  63 3  o 121.6307 10.72757 151.4704   26.09603 151.4704   26.09603 ?          ?        121.6307 10.72757 ?        ?        ?         ?        
1 1 1 5  63 4  o 117.1671 12.83089 142.3935   30.06716 142.3935   30.06716 ?          ?        117.1671 12.83089 ?        ?        ?         ?        
1 1 1 5  63 5  o 187.2708 7.421857 355.7002   27.79794 355.7002   27.79794 ?          ?        187.2708 7.421857 ?        ?        ?         ?        
1 1 1 5  63 6  o 36.69366 16.00936 -1.701915  22.12490 -1.701915  22.12490 ?          ?        36.69366 16.00936 ?        ?        ?         ?        
1 1 1 5  63 7  o 51.19747 17.91883 26.66333   22.69220 26.66333   22.69220 ?          ?        51.19747 17.91883 ?        ?        ?         ?        
1 1 1 5  63 8  o 67.05659 16.22630 50.49014   21.55759 50.49014   21.55759 ?          ?        67.05659 16.22630 ?        ?        ?         ?        
1 1 1 5  63 9  o 79.87929 14.75911 70.34581   22.69220 70.34581   22.69220 ?          ?        79.87929 14.75911 ?        ?        ?         ?        
1 1 1 5  64 0  o 19.22675 14.18260 -72.04772  32.33638 -72.04772  32.33638 -72.04772  32.33638 19.22675 14.18260 19.22675 14.18260 -0.000000 0.000000 
1 1 1 5  64 1  o 131.9033 9.677059 177.5665   25.52872 177.5665   25.52872 ?          ?        131.9033 9.677059 ?        ?        ?         ?        
1 1 1 5  64 2  o 158.3066 7.883886 254.1526   24.96142 254.1526   24.96142 ?          ?        158.3066 7.883886 ?        ?        ?         ?        
1 1 1 5  64 3  o 57.12339 17.88997 35.17290   22.69220 35.17290   22.69220 ?          ?        57.12339 17.88997 ?        ?        ?         ?        
1 1 1 5  64 4  o 71.86354 17.50479 57.86510   24.96142 57.86510   24.96142 ?          ?        71.86354 17.50479 ?        ?        ?         ?        
1 1 1 5  64 5  o 67.43760 16.85406 50.49014   22.69220 50.49014   22.69220 ?          ?        67.43760 16.85406 ?        ?        ?         ?        
1 1 1 5  64 6  o 230.7906 7.374283 540.6417   34.03830 540.6417   34.03830 ?          ?        230.7906 7.374283 ?        ?        ?         ?        
1 1 1 5  64 7  o 75.13821 15.95914 62.97085   23.25950 62.97085   23.25950 ?          ?        75.13821 15.95914 ?        ?        ?         ?        
1 1 1 5  64 8  o 30.28098 14.18595 -18.15376  21.55759 -18.15376  21.55759 ?          ?        30.28098 14.18595 ?        ?        ?         ?        
1 1 1 5  65 0  o 376.5950 13.44446 1452.868   100.9803 1452.868   100.9803 1452.868   100.9803 376.5950 13.44446 376.5950 13.44446 -0.000000 0.000000 
1 1 1 5  65 1  o 348.1645 8.961792 1235.023   62.40355 1235.023   62.40355 ?          ?        348.1645 8.961792 ?        ?        ?         ?        
1 1 1 5  65 2  o 96.73897 12.90143 97.57646   24.96142 97.57646   24.96142 ?          ?        96.73897 12.90143 ?        ?        ?         ?        
1 1 1 5  65 3  o 71.63090 15.12130 56.16319   20.99029 56.16319   20.99029 ?          ?        71.63090 15.12130 ?        ?        ?         ?        
1 1 1 5  65 4  o 176.6434 7.547221 316.5562   26.66333 316.5562   26.66333 ?          ?        176.6434 7.547221 ?        ?        ?         ?        
1 1 1 5  65 5  o 118.0748 10.32994 143.5282   24.39412 143.5282   24.39412 ?          ?        118.0748 10.32994 ?        ?        ?         ?        
1 1 1 5  65 6  o 134.3929 9.286730 185.5087   24.96142 185.5087   24.96142 ?          ?        134.3929 9.286730 ?        ?        ?         ?        
1 1 1 5  65 7  o 123.8620 9.847294 158.2781   24.39412 158.2781   24.39412 ?          ?        123.8620 9.847294 ?        ?        ?         ?        
1 1 1 5  65 8  f 117.9552 9.618991 143.5282   22.69220 143.5282   22.69220 ?          ?        117.9552 9.618991 ?        ?        ?         ?        
1 1 1 5  66 0  o 329.7773 12.51113 1113.620   82.25922 1113.620   82.25922 1113.620   82.25922 329.7773 12.51113 329.7773 12.51113 -0.000000 0.000000 
1 1 1 5  66 1  o 116.7242 10.69248 140.1243   24.96142 140.1243   24.96142 ?          ?        116.7242 10.69248 ?        ?        ?         ?        
1 1 1 5  66 2  o 332.4814 8.787320 1126.668   58.43241 1126.668   58.43241 ?          ?        332.4814 8.787320 ?        ?        ?         ?        
1 1 1 5  66 3  o 66.73026 15.92625 49.35553   20.99029 49.35553   20.99029 ?          ?        66.73026 15.92625 ?        ?        ?         ?        
1 1 1 5  66 4  o 123.0866 10.37023 156.0089   25.52872 156.0089   25.52872 ?          ?        123.0866 10.37023 ?        ?        ?         ?        
1 1 1 5  66 5  o 202.8159 7.832000 419.2384   31.76908 419.2384   31.76908 ?          ?        202.8159 7.832000 ?        ?        ?         ?        
1 1 1 5  66 6  o 37.96659 16.27638 2.269220   22.12490 2.269220   22.12490 ?          ?        37.96659 16.27638 ?        ?        ?         ?        
1 1 1 5  66 7  o 75.62223 15.88353 64.10546   23.25950 64.10546   23.25950 ?          ?        75.62223 15.88353 ?        ?        ?         ?        
1 1 1 5  67 0  o 17.93756 13.34284 -92.47070  33.47099 -92.47070  33.47099 -92.47070  33.47099 17.93756 13.34284 17.93756 13.34284 -0.000000 0.000000 
1 1 1 5  67 1  o 116.7717 10.68813 140.6916   24.96142 140.6916   24.96142 ?          ?        116.7717 10.68813 ?        ?        ?         ?        
1 1 1 5  67 2  o 233.6052 7.528281 554.2570   35.17290 554.2570   35.17290 ?          ?        233.6052 7.528281 ?        ?        ?         ?        
1 1 1 5  67 3  o 126.6423 10.07907 165.0858   25.52872 165.0858   25.52872 ?          ?        126.6423 10.07907 ?        ?        ?         ?        
1 1 1 5  67 4  o 117.7231 10.60176 143.5282   24.96142 143.5282   24.96142 ?          ?        117.7231 10.60176 ?        ?        ?         ?        
1 1 1 5  67 5  o 32.03138 14.91857 -17.58645  23.25950 -17.58645  23.25950 ?          ?        32.03138 14.91857 ?        ?        ?         ?        
1 1 1 5  67 6  o 30.76321 14.40461 -18.15376  22.12490 -18.15376  22.12490 ?          ?        30.76321 14.40461 ?        ?        ?         ?        
1 1 1 5  68 0  o 41.64664 25.86180 19.85567   41.98057 19.85567   41.98057 19.85567   41.98057 41.64664 25.86180 41.64664 25.86180 -0.000000 0.000000 
1 1 1 5  68 1  o 212.1699 8.021473 458.9497   34.03830 458.9497   34.03830 ?          ?        212.1699 8.021473 ?        ?        ?         ?        
1 1 1 5  68 2  o 185.1685 7.812492 349.4599   28.93255 349.4599   28.93255 ?          ?        185.1685 7.812492 ?        ?        ?         ?        
1 1 1 5  68 3  o 43.03821 17.27988 12.48071   22.69220 12.48071   22.69220 ?          ?        43.03821 17.27988 ?        ?        ?         ?        
1 1 1 5  68 4  o 132.0326 9.882420 179.8357   26.09603 179.8357   26.09603 ?          ?        132.0326 9.882420 ?        ?        ?         ?        
1 1 1 5  68 5  o 115.6511 10.54643 138.9897   24.39412 138.9897   24.39412 ?          ?        115.6511 10.54643 ?        ?        ?         ?        
1 1 1 5  69 0  o 169.4415 11.66278 297.2678   39.14404 297.2678   39.14404 297.2678   39.14404 169.4415 11.66278 169.4415 11.66278 -0.000000 0.000000 
1 1 1 5  69 1  o 40.29004 17.17549 3.971134   24.39412 3.971134   24.39412 ?          ?        40.29004 17.17549 ?        ?        ?         ?        
1 1 1 5  69 2  o 208.3729 8.712149 444.7671   36.30752 444.7671   36.30752 ?          ?        208.3729 8.712149 ?        ?        ?         ?        
1 1 1 5  69 3  o 102.6154 12.16261 110.6245   24.96142 110.6245   24.96142 ?          ?        102.6154 12.16261 ?        ?        ?         ?        
1 1 1 5  69 4  o 74.52155 16.77252 62.97085   24.39412 62.97085   24.39412 ?          ?        74.52155 16.77252 ?        ?        ?         ?        
1 1 1 5  70 0  o 35.65924 22.79890 9.644185   35.17290 9.644185   35.17290 9.644185   35.17290 35.65924 22.79890 35.65924 22.79890 -0.000000 0.000000 
1 1 1 5  70 1  o 120.2820 12.02696 152.0377   28.93255 152.0377   28.93255 ?          ?        120.2820 12.02696 ?        ?        ?         ?        
1 1 1 5  70 2  o 98.79774 14.64232 104.9514   28.93255 104.9514   28.93255 ?          ?        98.79774 14.64232 ?        ?        ?         ?        
1 1 1 5  70 3  f 85.69418 13.90223 78.28809   23.82681 78.28809   23.82681 ?          ?        85.69418 13.90223 ?        ?        ?         ?        
1 1 1 6  0  0  o 127.0347 8.106138 163.3838   20.42298 163.3838   20.42298 163.3838   20.42298 127.0347 8.106138 127.0347 8.106138 -0.000000 0.000000 
1 1 1 6  0  1  o 178.0011 5.108630 317.6908   18.15376 317.6908   18.15376 317.6908   18.15376 178.0011 5.108630 178.0011 5.108630 -0.000000 0.000000 
1 1 1 6  0  2  o 747.8998 22.07775 5626.530   329.6042 5626.530   329.6042 5626.530   329.6042 747.8998 22.07775 747.8998 22.07775 -0.000000 0.000000 
1 1 1 6  0  3  o 412.2413 8.885343 1702.482   73.18234 1702.482   73.18234 1702.482   73.18234 412.2413 8.885343 412.2413 8.885343 -0.000000 0.000000 
1 1 1 6  0  4  o 570.8993 11.93607 3265.975   136.1532 3265.975   136.1532 3265.975   136.1532 570.8993 11.93607 570.8993 11.93607 -0.000000 0.000000 
1 1 1 6  0  5  o 300.5981 6.612509 905.4188   39.71135 905.4188   39.71135 905.4188   39.71135 300.5981 6.612509 300.5981 6.612509 -0.000000 0.000000 
1 1 1 6  0  6  o 972.9104 20.13620 9536.963   391.4404 9536.963   391.4404 9536.963   391.4404 972.9104 20.13620 972.9104 20.13620 -0.000000 0.000000 
1 1 1 6  0  7  o 263.8813 5.918705 697.7851   31.20177 697.7851   31.20177 697.7851   31.20177 263.8813 5.918705 263.8813 5.918705 -0.000000 0.000000 
1 1 1 6  0  8  o 112.9677 4.281952 128.2109   9.644185 128.2109   9.644185 128.2109   9.644185 112.9677 4.281952 112.9677 4.281952 -0.000000 0.000000 
1 1 1 6  0  9  o 186.7430 6.090003 350.0272   22.69220 350.0272   22.69220 350.0272   22.69220 186.7430 6.090003 186.7430 6.090003 -0.000000 0.000000 
1 1 1 6  0  10 o 453.5400 12.96959 2064.990   117.4321 2064.990   117.4321 2064.990   117.4321 453.5400 12.96959 453.5400 12.96959 -0.000000 0.000000 
1 1 1 6  0  11 o 254.2018 7.827325 648.4296   39.71135 648.4296   39.71135 648.4296   39.71135 254.2018 7.827325 254.2018 7.827325 -0.000000 0.000000 
1 1 1 6  0  12 o 194.0987 8.955301 379.5270   34.60560 379.5270   34.60560 379.5270   34.60560 194.0987 8.955301 194.0987 8.955301 -0.000000 0.000000 
1 1 1 6  0  13 o 41.85220 16.80422 24.39412   13.61532 24.39412   13.61532 24.39412   13.61532 41.85220 16.80422 41.85220 16.80422 -0.000000 0.000000 
1 1 1 6  0  14 o 422.3429 13.66524 1795.520   115.1629 1795.520   115.1629 1795.520   115.1629 422.3429 13.66524 422.3429 13.66524 -0.000000 0.000000 
1 1 1 6  0  15 o 292.0750 9.931020 858.3325   57.86510 858.3325   57.86510 858.3325   57.86510 292.0750 9.931020 292.0750 9.931020 -0.000000 0.000000 
1 1 1 6  0  16 o 34.98896 18.45602 18.15376   17.01915 18.15376   17.01915 18.15376   17.01915 34.98896 18.45602 34.98896 18.45602 -0.000000 0.000000 
1 1 1 6  0  17 o 102.5528 9.270317 108.3553   18.72106 108.3553   18.72106 108.3553   18.72106 102.5528 9.270317 102.5528 9.270317 -0.000000 0.000000 
1 1 1 6  0  18 o 54.49276 19.02578 39.71135   18.72106 39.71135   18.72106 39.71135   18.72106 54.49276 19.02578 54.49276 19.02578 -0.000000 0.000000 
1 1 1 6  0  19 o 43.78935 20.46041 29.49986   19.85567 29.49986   19.85567 29.49986   19.85567 43.78935 20.46041 43.78935 20.46041 -0.000000 0.000000 
1 1 1 6  1  0  o 813.9670 19.40005 6656.757   315.4216 6656.757   315.4216 6656.757   315.4216 813.9670 19.40005 813.9670 19.40005 -0.000000 0.000000 
1 1 1 6  1  1  o 340.1789 6.003600 1157.870   40.84595 1157.870   40.84595 ?          ?        340.1789 6.003600 ?        ?        ?         ?        
1 1 1 6  1  2  o 232.2277 5.374341 539.5070   24.96142 539.5070   24.96142 ?          ?        232.2277 5.374341 ?        ?        ?         ?        
1 1 1 6  1  3  o 22.78795 8.009911 4.538440   4.538440 4.538440   4.538440 ?          ?        22.78795 8.009911 ?        ?        ?         ?        
1 1 1 6  1  4  o 887.4408 12.94501 7889.510   229.7585 7889.510   229.7585 ?          ?        887.4408 12.94501 ?        ?        ?         ?        
1 1 1 6  1  5  o 54.30136 4.178937 29.49986   4.538440 29.49986   4.538440 ?          ?        54.30136 4.178937 ?        ?        ?         ?        
1 1 1 6  1  6  o 742.6925 10.92304 5536.329   162.2492 5536.329   162.2492 ?          ?        742.6925 10.92304 ?        ?        ?         ?        
1 1 1 6  1  7  o 197.5229 3.446516 390.3058   13.61532 390.3058   13.61532 ?          ?        197.5229 3.446516 ?        ?        ?         ?        
1 1 1 6  1  8  o 286.3923 4.655036 820.8903   26.66333 820.8903   26.66333 ?          ?        286.3923 4.655036 ?        ?        ?         ?        
1 1 1 6  1  9  o 318.2871 6.594765 1014.341   41.98057 1014.341   41.98057 ?          ?        318.2871 6.594765 ?        ?        ?         ?        
1 1 1 6  1  10 o 121.6681 3.730181 148.0666   9.076880 148.0666   9.076880 ?          ?        121.6681 3.730181 ?        ?        ?         ?        
1 1 1 6  1  11 o 353.8882 7.293935 1253.744   51.62476 1253.744   51.62476 ?          ?        353.8882 7.293935 ?        ?        ?         ?        
1 1 1 6  1  12 o 390.7752 8.710456 1530.022   68.07660 1530.022   68.07660 ?          ?        390.7752 8.710456 ?        ?        ?         ?        
1 1 1 6  1  13 o 334.5821 7.714812 1121.562   51.62476 1121.562   51.62476 ?          ?        334.5821 7.714812 ?        ?        ?         ?        
1 1 1 6  1  14 o 623.9420 13.77479 3920.645   171.8934 3920.645   171.8934 ?          ?        623.9420 13.77479 ?        ?        ?         ?        
1 1 1 6  1  15 o 282.8649 6.818934 802.1692   38.57674 802.1692   38.57674 ?          ?        282.8649 6.818934 ?        ?        ?         ?        
1 1 1 6  1  16 o 116.2614 5.855477 135.5859   13.61532 135.5859   13.61532 ?          ?        116.2614 5.855477 ?        ?        ?         ?        
1 1 1 6  1  17 o 54.28887 11.82358 31.20177   12.48071 31.20177   12.48071 ?          ?        54.28887 11.82358 ?        ?        ?         ?        
1 1 1 6  1  18 o 60.82682 11.60797 39.14404   13.61532 39.14404   13.61532 ?          ?        60.82682 11.60797 ?        ?        ?         ?        
1 1 1 6  1  19 o 68.75902 10.72581 48.78823   14.74993 48.78823   14.74993 ?          ?        68.75902 10.72581 ?        ?        ?         ?        
1 1 1 6  2  0  o 107.8491 4.222196 116.8648   9.076880 116.8648   9.076880 116.8648   9.076880 107.8491 4.222196 107.8491 4.222196 -0.000000 0.000000 
1 1 1 6  2  1  o 215.5268 3.816659 464.6228   16.45185 464.6228   16.45185 ?          ?        215.5268 3.816659 ?        ?        ?         ?        
1 1 1 6  2  2  o 876.1017 14.76376 7697.762   258.6910 7697.762   258.6910 ?          ?        876.1017 14.76376 ?        ?        ?         ?        
1 1 1 6  2  3  o 249.6712 4.203586 623.4681   20.99029 623.4681   20.99029 ?          ?        249.6712 4.203586 ?        ?        ?         ?        
1 1 1 6  2  4  o 1882.843 29.07567 35775.39   1094.899 35775.39   1094.899 ?          ?        1882.843 29.07567 ?        ?        ?         ?        
1 1 1 6  2  5  o 241.3282 3.878756 582.6222   18.72106 582.6222   18.72106 ?          ?        241.3282 3.878756 ?        ?        ?         ?        
1 1 1 6  2  6  o 474.9757 7.106604 2259.576   67.50929 2259.576   67.50929 ?          ?        474.9757 7.106604 ?        ?        ?         ?        
1 1 1 6  2  7  o 164.4745 3.104277 270.6045   10.21149 270.6045   10.21149 ?          ?        164.4745 3.104277 ?        ?        ?         ?        
1 1 1 6  2  8  o 995.4910 14.53180 9991.375   289.3255 9991.375   289.3255 ?          ?        995.4910 14.53180 ?        ?        ?         ?        
1 1 1 6  2  9  o 119.7717 4.262898 143.5282   10.21149 143.5282   10.21149 ?          ?        119.7717 4.262898 ?        ?        ?         ?        
1 1 1 6  2  10 o 918.9218 18.18123 8491.988   334.1426 8491.988   334.1426 ?          ?        918.9218 18.18123 ?        ?        ?         ?        
1 1 1 6  2  11 o 485.2641 9.761688 2359.421   94.73994 2359.421   94.73994 ?          ?        485.2641 9.761688 ?        ?        ?         ?        
1 1 1 6  2  12 o 195.7627 5.216259 383.4982   20.42298 383.4982   20.42298 ?          ?        195.7627 5.216259 ?        ?        ?         ?        
1 1 1 6  2  13 o 448.2461 9.998322 2015.634   89.63419 2015.634   89.63419 ?          ?        448.2461 9.998322 ?        ?        ?         ?        
1 1 1 6  2  14 o 310.5138 7.307952 966.1203   45.38440 966.1203   45.38440 ?          ?        310.5138 7.307952 ?        ?        ?         ?        
1 1 1 6  2  15 o 177.9274 5.579712 317.1235   19.85567 317.1235   19.85567 ?          ?        177.9274 5.579712 ?        ?        ?         ?        
1 1 1 6  2  16 o 162.1595 5.947347 263.7968   19.28837 263.7968   19.28837 ?          ?        162.1595 5.947347 ?        ?        ?         ?        
1 1 1 6  2  17 o 115.3436 6.639828 133.8840   15.31723 133.8840   15.31723 ?          ?        115.3436 6.639828 ?        ?        ?         ?        
1 1 1 6  2  18 o 23.81000 11.12206 -11.91340  13.04801 -11.91340  13.04801 ?          ?        23.81000 11.12206 ?        ?        ?         ?        
1 1 1 6  2  19 f 33.17797 13.18233 6.807660   13.04801 6.807660   13.04801 ?          ?        33.17797 13.18233 ?        ?        ?         ?        
1 1 1 6  3  0  o 653.2150 13.56133 4278.614   176.9992 4278.614   176.9992 4278.614   176.9992 653.2150 13.56133 653.2150 13.56133 -0.000000 0.000000 
1 1 1 6  3  1  o 139.8914 2.838726 195.7202   7.942269 195.7202   7.942269 ?          ?        139.8914 2.838726 ?        ?        ?         ?        
1 1 1 6  3  2  o 1106.698 17.17246 12294.63   380.0943 12294.63   380.0943 ?          ?        1106.698 17.17246 ?        ?        ?         ?        
1 1 1 6  3  3  o 187.8354 3.473258 352.8637   13.04801 352.8637   13.04801 ?          ?        187.8354 3.473258 ?        ?        ?         ?        
1 1 1 6  3  4  o 677.8619 10.67052 4600.843   144.6628 4600.843   144.6628 ?          ?        677.8619 10.67052 ?        ?        ?         ?        
1 1 1 6  3  5  o 180.1102 3.464742 324.4984   12.48071 324.4984   12.48071 ?          ?        180.1102 3.464742 ?        ?        ?         ?        
1 1 1 6  3  6  o 261.3842 4.232256 683.6025   22.12490 683.6025   22.12490 ?          ?        261.3842 4.232256 ?        ?        ?         ?        
1 1 1 6  3  7  o 182.7638 3.259235 334.1426   11.91340 334.1426   11.91340 ?          ?        182.7638 3.259235 ?        ?        ?         ?        
1 1 1 6  3  8  o 207.9957 3.682103 432.8537   15.31723 432.8537   15.31723 ?          ?        207.9957 3.682103 ?        ?        ?         ?        
1 1 1 6  3  9  o 323.2501 7.634264 1046.678   49.35553 1046.678   49.35553 ?          ?        323.2501 7.634264 ?        ?        ?         ?        
1 1 1 6  3  10 o 234.0271 5.939044 548.0166   27.79794 548.0166   27.79794 ?          ?        234.0271 5.939044 ?        ?        ?         ?        
1 1 1 6  3  11 o 171.8855 4.455650 295.5659   15.31723 295.5659   15.31723 ?          ?        171.8855 4.455650 ?        ?        ?         ?        
1 1 1 6  3  12 o 635.3868 14.86595 4060.202   188.9126 4060.202   188.9126 ?          ?        635.3868 14.86595 ?        ?        ?         ?        
1 1 1 6  3  13 o 399.0450 8.885354 1596.396   70.91312 1596.396   70.91312 ?          ?        399.0450 8.885354 ?        ?        ?         ?        
1 1 1 6  3  14 o 592.4959 13.06965 3533.175   154.8743 3533.175   154.8743 ?          ?        592.4959 13.06965 ?        ?        ?         ?        
1 1 1 6  3  15 o 144.3591 5.698235 208.7682   16.45185 208.7682   16.45185 ?          ?        144.3591 5.698235 ?        ?        ?         ?        
1 1 1 6  3  16 o 435.8698 10.47745 1918.625   91.33610 1918.625   91.33610 ?          ?        435.8698 10.47745 ?        ?        ?         ?        
1 1 1 6  3  17 o 96.37399 7.358119 93.60532   14.18262 93.60532   14.18262 ?          ?        96.37399 7.358119 ?        ?        ?         ?        
1 1 1 6  3  18 o 124.6613 6.143542 156.5762   15.31723 156.5762   15.31723 ?          ?        124.6613 6.143542 ?        ?        ?         ?        
1 1 1 6  3  19 o 73.38203 8.890471 55.02858   13.04801 55.02858   13.04801 ?          ?        73.38203 8.890471 ?        ?        ?         ?        
1 1 1 6  4  0  o 794.4257 16.36853 6332.258   259.8257 6332.258   259.8257 6332.258   259.8257 794.4257 16.36853 794.4257 16.36853 -0.000000 0.000000 
1 1 1 6  4  1  o 331.6838 5.131137 1100.572   34.03830 1100.572   34.03830 ?          ?        331.6838 5.131137 ?        ?        ?         ?        
1 1 1 6  4  2  o 1196.871 17.32434 14378.91   414.6999 14378.91   414.6999 ?          ?        1196.871 17.32434 ?        ?        ?         ?        
1 1 1 6  4  3  o 665.5308 10.48464 4434.056   139.5570 4434.056   139.5570 ?          ?        665.5308 10.48464 ?        ?        ?         ?        
1 1 1 6  4  4  o 250.1198 4.309453 625.7374   21.55759 625.7374   21.55759 ?          ?        250.1198 4.309453 ?        ?        ?         ?        
1 1 1 6  4  5  o 78.62280 3.607764 61.83624   5.673049 61.83624   5.673049 ?          ?        78.62280 3.607764 ?        ?        ?         ?        
1 1 1 6  4  6  o 67.35252 3.790314 45.38440   5.105744 45.38440   5.105744 ?          ?        67.35252 3.790314 ?        ?        ?         ?        
1 1 1 6  4  7  o 111.7001 3.047294 124.8071   6.807660 124.8071   6.807660 ?          ?        111.7001 3.047294 ?        ?        ?         ?        
1 1 1 6  4  8  o 539.4496 8.045020 2917.649   86.79766 2917.649   86.79766 ?          ?        539.4496 8.045020 ?        ?        ?         ?        
1 1 1 6  4  9  o 163.9447 3.979395 268.9026   13.04801 268.9026   13.04801 ?          ?        163.9447 3.979395 ?        ?        ?         ?        
1 1 1 6  4  10 o 828.7818 18.99500 6910.909   314.8543 6910.909   314.8543 ?          ?        828.7818 18.99500 ?        ?        ?         ?        
1 1 1 6  4  11 o 58.80321 6.270885 34.60560   7.374964 34.60560   7.374964 ?          ?        58.80321 6.270885 ?        ?        ?         ?        
1 1 1 6  4  12 o 462.6062 10.91428 2146.682   100.9803 2146.682   100.9803 ?          ?        462.6062 10.91428 ?        ?        ?         ?        
1 1 1 6  4  13 o 133.8351 5.086603 179.2684   13.61532 179.2684   13.61532 ?          ?        133.8351 5.086603 ?        ?        ?         ?        
1 1 1 6  4  14 o 143.2152 5.743749 205.3644   16.45185 205.3644   16.45185 ?          ?        143.2152 5.743749 ?        ?        ?         ?        
1 1 1 6  4  15 o 125.8642 6.986280 158.8454   17.58645 158.8454   17.58645 ?          ?        125.8642 6.986280 ?        ?        ?         ?        
1 1 1 6  4  16 o 322.2519 8.714175 1045.543   56.16319 1045.543   56.16319 ?          ?        322.2519 8.714175 ?        ?        ?         ?        
1 1 1 6  4  17 o 133.5488 5.947092 179.2684   15.88454 179.2684   15.88454 ?          ?        133.5488 5.947092 ?        ?        ?         ?        
1 1 1 6  4  18 o 52.60295 11.63383 29.49986   11.91340 29.49986   11.91340 ?          ?        52.60295 11.63383 ?        ?        ?         ?        
1 1 1 6  4  19 o 42.77961 13.24156 19.28837   12.48071 19.28837   12.48071 ?          ?        42.77961 13.24156 ?        ?        ?         ?        
1 1 1 6  5  0  o 142.1353 3.998292 202.5279   11.34610 202.5279   11.34610 202.5279   11.34610 142.1353 3.998292 142.1353 3.998292 -0.000000 0.000000 
1 1 1 6  5  1  o 469.6632 7.005805 2207.384   65.80738 2207.384   65.80738 ?          ?        469.6632 7.005805 ?        ?        ?         ?        
1 1 1 6  5  2  o 75.69123 2.997996 57.29780   4.538440 57.29780   4.538440 ?          ?        75.69123 2.997996 ?        ?        ?         ?        
1 1 1 6  5  3  o 626.6654 9.233812 3930.289   115.7302 3930.289   115.7302 ?          ?        626.6654 9.233812 ?        ?        ?         ?        
1 1 1 6  5  4  o 435.7421 6.965316 1899.904   60.70163 1899.904   60.70163 ?          ?        435.7421 6.965316 ?        ?        ?         ?        
1 1 1 6  5  5  o 273.5838 4.354572 748.8425   23.82681 748.8425   23.82681 ?          ?        273.5838 4.354572 ?        ?        ?         ?        
1 1 1 6  5  6  o 1000.623 16.86682 10104.27   337.5464 10104.27   337.5464 ?          ?        1000.623 16.86682 ?        ?        ?         ?        
1 1 1 6  5  7  o 178.9972 3.486286 320.5273   12.48071 320.5273   12.48071 ?          ?        178.9972 3.486286 ?        ?        ?         ?        
1 1 1 6  5  8  o 321.5055 6.264070 1035.332   40.27865 1035.332   40.27865 ?          ?        321.5055 6.264070 ?        ?        ?         ?        
1 1 1 6  5  9  o 346.3035 7.044144 1200.984   48.78823 1200.984   48.78823 ?          ?        346.3035 7.044144 ?        ?        ?         ?        
1 1 1 6  5  10 o 288.5909 6.093904 833.3709   35.17290 833.3709   35.17290 ?          ?        288.5909 6.093904 ?        ?        ?         ?        
1 1 1 6  5  11 o 109.1273 4.418777 119.1340   9.644185 119.1340   9.644185 ?          ?        109.1273 4.418777 ?        ?        ?         ?        
1 1 1 6  5  12 o 215.1879 5.931727 463.4882   25.52872 463.4882   25.52872 ?          ?        215.1879 5.931727 ?        ?        ?         ?        
1 1 1 6  5  13 o 144.2093 5.900850 208.2009   17.01915 208.2009   17.01915 ?          ?        144.2093 5.900850 ?        ?        ?         ?        
1 1 1 6  5  14 o 363.5668 8.816188 1325.792   64.10546 1325.792   64.10546 ?          ?        363.5668 8.816188 ?        ?        ?         ?        
1 1 1 6  5  15 o 239.6685 6.627713 575.8145   31.76908 575.8145   31.76908 ?          ?        239.6685 6.627713 ?        ?        ?         ?        
1 1 1 6  5  16 o 391.9236 11.21804 1553.281   87.93227 1553.281   87.93227 ?          ?        391.9236 11.21804 ?        ?        ?         ?        
1 1 1 6  5  17 o 259.5260 7.104264 678.4968   36.87482 678.4968   36.87482 ?          ?        259.5260 7.104264 ?        ?        ?         ?        
1 1 1 6  5  18 o 197.3549 6.180266 392.5750   24.39412 392.5750   24.39412 ?          ?        197.3549 6.180266 ?        ?        ?         ?        
1 1 1 6  5  19 o 76.64554 9.252088 60.13433   14.18262 60.13433   14.18262 ?          ?        76.64554 9.252088 ?        ?        ?         ?        
1 1 1 6  6  0  o 160.4834 4.248563 258.1238   13.61532 258.1238   13.61532 258.1238   13.61532 160.4834 4.248563 160.4834 4.248563 -0.000000 0.000000 
1 1 1 6  6  1  o 262.9407 4.207202 691.5447   22.12490 691.5447   22.12490 ?          ?        262.9407 4.207202 ?        ?        ?         ?        
1 1 1 6  6  2  o 1391.667 20.11724 19456.86   559.9300 19456.86   559.9300 ?          ?        1391.667 20.11724 ?        ?        ?         ?        
1 1 1 6  6  3  f 369.5495 5.603209 1366.070   41.41326 1366.070   41.41326 ?          ?        369.5495 5.603209 ?        ?        ?         ?        
1 1 1 6  6  4  o 816.8351 12.74437 6687.958   208.2009 6687.958   208.2009 ?          ?        816.8351 12.74437 ?        ?        ?         ?        
1 1 1 6  6  5  o 97.32191 3.206038 94.73994   6.240355 94.73994   6.240355 ?          ?        97.32191 3.206038 ?        ?        ?         ?        
1 1 1 6  6  6  o 383.9860 5.909642 1476.128   45.38440 1476.128   45.38440 ?          ?        383.9860 5.909642 ?        ?        ?         ?        
1 1 1 6  6  7  o 215.1012 3.956080 462.9208   17.01915 462.9208   17.01915 ?          ?        215.1012 3.956080 ?        ?        ?         ?        
1 1 1 6  6  8  o 293.3720 5.414470 861.7362   31.76908 861.7362   31.76908 ?          ?        293.3720 5.414470 ?        ?        ?         ?        
1 1 1 6  6  9  o 342.9868 7.525764 1178.292   51.62476 1178.292   51.62476 ?          ?        342.9868 7.525764 ?        ?        ?         ?        
1 1 1 6  6  10 o 276.2211 6.880255 763.5925   38.00943 763.5925   38.00943 ?          ?        276.2211 6.880255 ?        ?        ?         ?        
1 1 1 6  6  11 o 313.8524 6.959080 985.9761   43.68248 985.9761   43.68248 ?          ?        313.8524 6.959080 ?        ?        ?         ?        
1 1 1 6  6  12 o 944.2653 23.79128 9051.918   449.3055 9051.918   449.3055 ?          ?        944.2653 23.79128 ?        ?        ?         ?        
1 1 1 6  6  13 o 338.2220 8.218846 1146.523   55.59589 1146.523   55.59589 ?          ?        338.2220 8.218846 ?        ?        ?         ?        
1 1 1 6  6  14 o 637.8932 16.18602 4111.259   206.4990 4111.259   206.4990 ?          ?        637.8932 16.18602 ?        ?        ?         ?        
1 1 1 6  6  15 o 317.2964 7.956306 1010.370   50.49014 1010.370   50.49014 ?          ?        317.2964 7.956306 ?        ?        ?         ?        
1 1 1 6  6  16 o 132.4034 5.998538 175.8645   15.88454 175.8645   15.88454 ?          ?        132.4034 5.998538 ?        ?        ?         ?        
1 1 1 6  6  17 o 179.4823 6.163532 323.9312   22.12490 323.9312   22.12490 ?          ?        179.4823 6.163532 ?        ?        ?         ?        
1 1 1 6  6  18 o 155.0407 6.037467 242.2392   18.72106 242.2392   18.72106 ?          ?        155.0407 6.037467 ?        ?        ?         ?        
1 1 1 6  6  19 o 157.7169 6.114869 251.3161   19.28837 251.3161   19.28837 ?          ?        157.7169 6.114869 ?        ?        ?         ?        
1 1 1 6  7  0  o 183.8444 4.635215 338.6811   17.01915 338.6811   17.01915 338.6811   17.01915 183.8444 4.635215 183.8444 4.635215 -0.000000 0.000000 
1 1 1 6  7  1  o 150.8187 3.009202 227.4893   9.076880 227.4893   9.076880 ?          ?        150.8187 3.009202 ?        ?        ?         ?        
1 1 1 6  7  2  o 1005.142 14.61803 10126.39   293.8640 10126.39   293.8640 ?          ?        1005.142 14.61803 ?        ?        ?         ?        
1 1 1 6  7  3  o 309.7865 4.761321 959.8799   29.49986 959.8799   29.49986 ?          ?        309.7865 4.761321 ?        ?        ?         ?        
1 1 1 6  7  4  o 972.6545 14.17308 9492.714   275.7102 9492.714   275.7102 ?          ?        972.6545 14.17308 ?        ?        ?         ?        
1 1 1 6  7  5  o 262.5715 4.861290 689.8428   25.52872 689.8428   25.52872 ?          ?        262.5715 4.861290 ?        ?        ?         ?        
1 1 1 6  7  6  o 332.3700 5.205886 1105.677   34.60560 1105.677   34.60560 ?          ?        332.3700 5.205886 ?        ?        ?         ?        
1 1 1 6  7  7  o 253.5679 4.138987 643.3238   20.99029 643.3238   20.99029 ?          ?        253.5679 4.138987 ?        ?        ?         ?        
1 1 1 6  7  8  o 281.1700 4.943263 791.3904   27.79794 791.3904   27.79794 ?          ?        281.1700 4.943263 ?        ?        ?         ?        
1 1 1 6  7  9  o 449.4518 9.719057 2025.279   87.36497 2025.279   87.36497 ?          ?        449.4518 9.719057 ?        ?        ?         ?        
1 1 1 6  7  10 o 1234.538 28.35288 15449.42   700.0543 15449.42   700.0543 ?          ?        1234.538 28.35288 ?        ?        ?         ?        
1 1 1 6  7  11 o 279.6729 6.795338 782.8809   38.00943 782.8809   38.00943 ?          ?        279.6729 6.795338 ?        ?        ?         ?        
1 1 1 6  7  12 f 1092.179 27.55550 12177.77   601.9106 12177.77   601.9106 ?          ?        1092.179 27.55550 ?        ?        ?         ?        
1 1 1 6  7  13 o 388.4761 9.273123 1513.569   72.04772 1513.569   72.04772 ?          ?        388.4761 9.273123 ?        ?        ?         ?        
1 1 1 6  7  14 o 899.3799 22.73938 8258.826   409.0269 8258.826   409.0269 ?          ?        899.3799 22.73938 ?        ?        ?         ?        
1 1 1 6  7  15 o 55.02957 12.63122 31.76908   13.61532 31.76908   13.61532 ?          ?        55.02957 12.63122 ?        ?        ?         ?        
1 1 1 6  7  16 o 252.6705 6.847970 641.0546   34.60560 641.0546   34.60560 ?          ?        252.6705 6.847970 ?        ?        ?         ?        
1 1 1 6  7  17 o 219.3535 6.853586 484.4784   30.06716 484.4784   30.06716 ?          ?        219.3535 6.853586 ?        ?        ?         ?        
1 1 1 6  7  18 o 211.2043 7.118027 451.0074   30.06716 451.0074   30.06716 ?          ?        211.2043 7.118027 ?        ?        ?         ?        
1 1 1 6  7  19 o 163.8752 7.096711 272.3064   23.25950 272.3064   23.25950 ?          ?        163.8752 7.096711 ?        ?        ?         ?        
1 1 1 6  8  0  o 858.5716 17.69192 7395.388   303.5081 7395.388   303.5081 7395.388   303.5081 858.5716 17.69192 858.5716 17.69192 -0.000000 0.000000 
1 1 1 6  8  1  o 273.1016 4.258397 746.0060   23.25950 746.0060   23.25950 ?          ?        273.1016 4.258397 ?        ?        ?         ?        
1 1 1 6  8  2  o 217.5013 3.651596 473.1324   15.88454 473.1324   15.88454 ?          ?        217.5013 3.651596 ?        ?        ?         ?        
1 1 1 6  8  3  o 593.8523 8.788727 3529.204   104.3841 3529.204   104.3841 ?          ?        593.8523 8.788727 ?        ?        ?         ?        
1 1 1 6  8  4  o 283.0512 5.110833 801.6019   28.93255 801.6019   28.93255 ?          ?        283.0512 5.110833 ?        ?        ?         ?        
1 1 1 6  8  5  o 207.3356 3.557019 430.0172   14.74993 430.0172   14.74993 ?          ?        207.3356 3.557019 ?        ?        ?         ?        
1 1 1 6  8  6  o 691.1202 10.83520 4794.862   149.7685 4794.862   149.7685 ?          ?        691.1202 10.83520 ?        ?        ?         ?        
1 1 1 6  8  7  o 284.3155 4.888574 808.9769   27.79794 808.9769   27.79794 ?          ?        284.3155 4.888574 ?        ?        ?         ?        
1 1 1 6  8  8  o 388.5720 7.007875 1513.002   54.46128 1513.002   54.46128 ?          ?        388.5720 7.007875 ?        ?        ?         ?        
1 1 1 6  8  9  o 336.5490 6.911179 1134.043   46.51900 1134.043   46.51900 ?          ?        336.5490 6.911179 ?        ?        ?         ?        
1 1 1 6  8  10 o 1085.723 21.50144 11882.20   466.8920 11882.20   466.8920 ?          ?        1085.723 21.50144 ?        ?        ?         ?        
1 1 1 6  8  11 o 162.1685 6.821574 263.2295   22.12490 263.2295   22.12490 ?          ?        162.1685 6.821574 ?        ?        ?         ?        
1 1 1 6  8  12 o 325.9740 9.658877 1065.399   62.97085 1065.399   62.97085 ?          ?        325.9740 9.658877 ?        ?        ?         ?        
1 1 1 6  8  13 o 311.7297 9.190302 974.6299   57.29780 974.6299   57.29780 ?          ?        311.7297 9.190302 ?        ?        ?         ?        
1 1 1 6  8  14 o 636.8030 17.95091 4110.125   228.6239 4110.125   228.6239 ?          ?        636.8030 17.95091 ?        ?        ?         ?        
1 1 1 6  8  15 o 173.7320 7.836967 302.9409   27.23064 302.9409   27.23064 ?          ?        173.7320 7.836967 ?        ?        ?         ?        
1 1 1 6  8  16 o 333.6324 10.45740 1123.831   69.77851 1123.831   69.77851 ?          ?        333.6324 10.45740 ?        ?        ?         ?        
1 1 1 6  8  17 o 100.4848 10.72680 102.6822   21.55759 102.6822   21.55759 ?          ?        100.4848 10.72680 ?        ?        ?         ?        
1 1 1 6  8  18 o 147.9525 8.435620 222.3835   24.96142 222.3835   24.96142 ?          ?        147.9525 8.435620 ?        ?        ?         ?        
1 1 1 6  8  19 o 225.5849 8.676122 519.6514   39.14404 519.6514   39.14404 ?          ?        225.5849 8.676122 ?        ?        ?         ?        
1 1 1 6  9  0  o 1404.487 28.74577 19845.46   806.7077 19845.46   806.7077 19845.46   806.7077 1404.487 28.74577 1404.487 28.74577 -0.000000 0.000000 
1 1 1 6  9  1  o 467.3420 6.979908 2185.259   65.24007 2185.259   65.24007 ?          ?        467.3420 6.979908 ?        ?        ?         ?        
1 1 1 6  9  2  o 540.6664 10.23038 2926.159   110.6245 2926.159   110.6245 ?          ?        540.6664 10.23038 ?        ?        ?         ?        
1 1 1 6  9  3  o 244.9711 4.052657 600.2086   19.85567 600.2086   19.85567 ?          ?        244.9711 4.052657 ?        ?        ?         ?        
1 1 1 6  9  4  o 413.9913 6.372038 1715.530   52.75936 1715.530   52.75936 ?          ?        413.9913 6.372038 ?        ?        ?         ?        
1 1 1 6  9  5  o 401.7625 6.071775 1615.684   48.78823 1615.684   48.78823 ?          ?        401.7625 6.071775 ?        ?        ?         ?        
1 1 1 6  9  6  o 622.1276 9.802697 3882.635   121.9706 3882.635   121.9706 ?          ?        622.1276 9.802697 ?        ?        ?         ?        
1 1 1 6  9  7  o 202.3375 3.785071 409.5942   15.31723 409.5942   15.31723 ?          ?        202.3375 3.785071 ?        ?        ?         ?        
1 1 1 6  9  8  o 334.8195 6.099697 1122.697   40.84595 1122.697   40.84595 ?          ?        334.8195 6.099697 ?        ?        ?         ?        
1 1 1 6  9  9  o 181.3552 4.222993 329.0369   15.31723 329.0369   15.31723 ?          ?        181.3552 4.222993 ?        ?        ?         ?        
1 1 1 6  9  10 o 669.2172 15.47078 4497.594   207.0663 4497.594   207.0663 ?          ?        669.2172 15.47078 ?        ?        ?         ?        
1 1 1 6  9  11 o 179.9154 5.991035 323.9312   21.55759 323.9312   21.55759 ?          ?        179.9154 5.991035 ?        ?        ?         ?        
1 1 1 6  9  12 o 183.9202 6.477486 338.6811   23.82681 338.6811   23.82681 ?          ?        183.9202 6.477486 ?        ?        ?         ?        
1 1 1 6  9  13 o 232.1552 7.575300 540.0743   35.17290 540.0743   35.17290 ?          ?        232.1552 7.575300 ?        ?        ?         ?        
1 1 1 6  9  14 o 550.1650 15.57043 3058.909   171.3261 3058.909   171.3261 ?          ?        550.1650 15.57043 ?        ?        ?         ?        
1 1 1 6  9  15 o 156.6399 7.424514 246.2104   23.25950 246.2104   23.25950 ?          ?        156.6399 7.424514 ?        ?        ?         ?        
1 1 1 6  9  16 o 332.2501 10.15941 1114.187   67.50929 1114.187   67.50929 ?          ?        332.2501 10.15941 ?        ?        ?         ?        
1 1 1 6  9  17 o 106.8175 9.825307 115.7302   20.99029 115.7302   20.99029 ?          ?        106.8175 9.825307 ?        ?        ?         ?        
1 1 1 6  9  18 o 53.38037 17.26625 30.06716   20.99029 30.06716   20.99029 ?          ?        53.38037 17.26625 ?        ?        ?         ?        
1 1 1 6  9  19 o 48.14099 17.80401 21.55759   22.69220 21.55759   22.69220 ?          ?        48.14099 17.80401 ?        ?        ?         ?        
1 1 1 6  10 0  o 240.6939 5.545388 580.3530   26.66333 580.3530   26.66333 580.3530   26.66333 240.6939 5.545388 240.6939 5.545388 -0.000000 0.000000 
1 1 1 6  10 1  o 380.7014 6.854723 1450.031   52.19205 1450.031   52.19205 ?          ?        380.7014 6.854723 ?        ?        ?         ?        
1 1 1 6  10 2  o 1250.922 19.36486 15703.00   484.4784 15703.00   484.4784 ?          ?        1250.922 19.36486 ?        ?        ?         ?        
1 1 1 6  10 3  o 394.1791 5.972706 1554.416   47.08631 1554.416   47.08631 ?          ?        394.1791 5.972706 ?        ?        ?         ?        
1 1 1 6  10 4  f 265.2722 4.277153 704.0255   22.69220 704.0255   22.69220 ?          ?        265.2722 4.277153 ?        ?        ?         ?        
1 1 1 6  10 5  o 43.90231 5.168795 19.28837   4.538440 19.28837   4.538440 ?          ?        43.90231 5.168795 ?        ?        ?         ?        
1 1 1 6  10 6  o 123.9709 3.203280 153.7396   7.942269 153.7396   7.942269 ?          ?        123.9709 3.203280 ?        ?        ?         ?        
1 1 1 6  10 7  f 83.85677 3.382583 70.34581   5.673049 70.34581   5.673049 ?          ?        83.85677 3.382583 ?        ?        ?         ?        
1 1 1 6  10 8  o 128.6843 3.085952 165.6530   7.942269 165.6530   7.942269 ?          ?        128.6843 3.085952 ?        ?        ?         ?        
1 1 1 6  10 9  o 387.6497 8.414823 1505.060   65.24007 1505.060   65.24007 ?          ?        387.6497 8.414823 ?        ?        ?         ?        
1 1 1 6  10 10 o 448.8986 12.89046 2021.307   115.7302 2021.307   115.7302 ?          ?        448.8986 12.89046 ?        ?        ?         ?        
1 1 1 6  10 11 o 155.4091 5.475595 241.6719   17.01915 241.6719   17.01915 ?          ?        155.4091 5.475595 ?        ?        ?         ?        
1 1 1 6  10 12 o 199.2856 6.689727 397.6808   26.66333 397.6808   26.66333 ?          ?        199.2856 6.689727 ?        ?        ?         ?        
1 1 1 6  10 13 o 207.9714 7.501458 433.4210   31.20177 433.4210   31.20177 ?          ?        207.9714 7.501458 ?        ?        ?         ?        
1 1 1 6  10 14 o 628.2407 23.02665 4042.048   289.3255 4042.048   289.3255 ?          ?        628.2407 23.02665 ?        ?        ?         ?        
1 1 1 6  10 15 o 345.4591 10.50993 1202.119   72.61504 1202.119   72.61504 ?          ?        345.4591 10.50993 ?        ?        ?         ?        
1 1 1 6  10 16 o 267.4095 8.910233 720.4773   47.65361 720.4773   47.65361 ?          ?        267.4095 8.910233 ?        ?        ?         ?        
1 1 1 6  10 17 o 116.5863 9.731935 137.8551   22.69220 137.8551   22.69220 ?          ?        116.5863 9.731935 ?        ?        ?         ?        
1 1 1 6  10 18 o 148.5083 8.404048 224.0854   24.96142 224.0854   24.96142 ?          ?        148.5083 8.404048 ?        ?        ?         ?        
1 1 1 6  10 19 o 152.8017 9.281720 239.4027   28.36525 239.4027   28.36525 ?          ?        152.8017 9.281720 ?        ?        ?         ?        
1 1 1 6  11 0  o 87.47679 4.565959 77.15348   7.942269 77.15348   7.942269 77.15348   7.942269 87.47679 4.565959 87.47679 4.565959 -0.000000 0.000000 
1 1 1 6  11 1  o 380.2010 6.192292 1446.060   47.08631 1446.060   47.08631 ?          ?        380.2010 6.192292 ?        ?        ?         ?        
1 1 1 6  11 2  o 1164.377 16.90645 13594.33   393.7097 13594.33   393.7097 ?          ?        1164.377 16.90645 ?        ?        ?         ?        
1 1 1 6  11 3  o 238.9861 4.035459 571.2761   19.28837 571.2761   19.28837 ?          ?        238.9861 4.035459 ?        ?        ?         ?        
1 1 1 6  11 4  o 213.3967 3.721833 455.5459   15.88454 455.5459   15.88454 ?          ?        213.3967 3.721833 ?        ?        ?         ?        
1 1 1 6  11 5  o 561.0161 8.898647 3154.783   99.84568 3154.783   99.84568 ?          ?        561.0161 8.898647 ?        ?        ?         ?        
1 1 1 6  11 6  o 271.3782 4.389964 736.9291   23.82681 736.9291   23.82681 ?          ?        271.3782 4.389964 ?        ?        ?         ?        
1 1 1 6  11 7  o 90.36225 3.766872 81.69191   6.807660 81.69191   6.807660 ?          ?        90.36225 3.766872 ?        ?        ?         ?        
1 1 1 6  11 8  o 202.7546 3.917183 411.2961   15.88454 411.2961   15.88454 ?          ?        202.7546 3.917183 ?        ?        ?         ?        
1 1 1 6  11 9  o 299.5112 7.292296 898.0438   43.68248 898.0438   43.68248 ?          ?        299.5112 7.292296 ?        ?        ?         ?        
1 1 1 6  11 10 o 606.1099 15.49042 3690.886   187.7779 3690.886   187.7779 ?          ?        606.1099 15.49042 ?        ?        ?         ?        
1 1 1 6  11 11 o 60.66068 9.819709 36.87482   11.91340 36.87482   11.91340 ?          ?        60.66068 9.819709 ?        ?        ?         ?        
1 1 1 6  11 12 o 267.9692 7.621389 719.3427   40.84595 719.3427   40.84595 ?          ?        267.9692 7.621389 ?        ?        ?         ?        
1 1 1 6  11 13 o 327.0162 9.888311 1073.341   64.67276 1073.341   64.67276 ?          ?        327.0162 9.888311 ?        ?        ?         ?        
1 1 1 6  11 14 o 71.75555 14.73708 53.89397   20.42298 53.89397   20.42298 ?          ?        71.75555 14.73708 ?        ?        ?         ?        
1 1 1 6  11 15 o 222.4018 8.290137 496.9591   36.87482 496.9591   36.87482 ?          ?        222.4018 8.290137 ?        ?        ?         ?        
1 1 1 6  11 16 o 260.7711 8.701959 685.3044   45.38440 685.3044   45.38440 ?          ?        260.7711 8.701959 ?        ?        ?         ?        
1 1 1 6  11 17 o 124.2149 9.819316 156.5762   24.39412 156.5762   24.39412 ?          ?        124.2149 9.819316 ?        ?        ?         ?        
1 1 1 6  11 18 o 134.3335 9.079680 183.8068   24.39412 183.8068   24.39412 ?          ?        134.3335 9.079680 ?        ?        ?         ?        
1 1 1 6  11 19 o 251.1862 8.921088 646.1603   44.81709 646.1603   44.81709 ?          ?        251.1862 8.921088 ?        ?        ?         ?        
1 1 1 6  12 0  o 262.7408 6.052846 691.5447   31.76908 691.5447   31.76908 691.5447   31.76908 262.7408 6.052846 262.7408 6.052846 -0.000000 0.000000 
1 1 1 6  12 1  o 706.4050 10.39998 4995.120   146.9320 4995.120   146.9320 ?          ?        706.4050 10.39998 ?        ?        ?         ?        
1 1 1 6  12 2  o 557.5736 8.343115 3111.101   93.03801 3111.101   93.03801 ?          ?        557.5736 8.343115 ?        ?        ?         ?        
1 1 1 6  12 3  o 300.3676 4.721755 902.5823   28.36525 902.5823   28.36525 ?          ?        300.3676 4.721755 ?        ?        ?         ?        
1 1 1 6  12 4  o 508.2430 7.646025 2586.911   77.72078 2586.911   77.72078 ?          ?        508.2430 7.646025 ?        ?        ?         ?        
1 1 1 6  12 5  o 429.0332 6.545320 1843.174   56.16319 1843.174   56.16319 ?          ?        429.0332 6.545320 ?        ?        ?         ?        
1 1 1 6  12 6  o 121.6612 3.264092 148.0666   7.942269 148.0666   7.942269 ?          ?        121.6612 3.264092 ?        ?        ?         ?        
1 1 1 6  12 7  o 200.9312 3.670393 403.9211   14.74993 403.9211   14.74993 ?          ?        200.9312 3.670393 ?        ?        ?         ?        
1 1 1 6  12 8  o 89.41153 4.441412 79.99000   7.942269 79.99000   7.942269 ?          ?        89.41153 4.441412 ?        ?        ?         ?        
1 1 1 6  12 9  o 189.9120 4.480798 360.8060   17.01915 360.8060   17.01915 ?          ?        189.9120 4.480798 ?        ?        ?         ?        
1 1 1 6  12 10 o 326.7979 7.985371 1069.370   52.19205 1069.370   52.19205 ?          ?        326.7979 7.985371 ?        ?        ?         ?        
1 1 1 6  12 11 o 254.9403 7.120789 650.6988   36.30752 650.6988   36.30752 ?          ?        254.9403 7.120789 ?        ?        ?         ?        
1 1 1 6  12 12 o 372.4998 13.78285 1395.570   102.6822 1395.570   102.6822 ?          ?        372.4998 13.78285 ?        ?        ?         ?        
1 1 1 6  12 13 f 109.2370 9.088347 119.7014   19.85567 119.7014   19.85567 ?          ?        109.2370 9.088347 ?        ?        ?         ?        
1 1 1 6  12 14 o 462.0367 13.26062 2152.355   122.5379 2152.355   122.5379 ?          ?        462.0367 13.26062 ?        ?        ?         ?        
1 1 1 6  12 15 o 151.1677 8.819125 229.7585   26.66333 229.7585   26.66333 ?          ?        151.1677 8.819125 ?        ?        ?         ?        
1 1 1 6  12 16 o 218.8246 8.555284 482.7765   37.44213 482.7765   37.44213 ?          ?        218.8246 8.555284 ?        ?        ?         ?        
1 1 1 6  12 17 o 117.8139 10.59358 141.2589   24.96142 141.2589   24.96142 ?          ?        117.8139 10.59358 ?        ?        ?         ?        
1 1 1 6  12 18 o 191.5876 8.291005 372.7193   31.76908 372.7193   31.76908 ?          ?        191.5876 8.291005 ?        ?        ?         ?        
1 1 1 6  12 19 o 81.42606 14.83162 72.61504   23.25950 72.61504   23.25950 ?          ?        81.42606 14.83162 ?        ?        ?         ?        
1 1 1 6  13 0  o 623.3359 14.94490 3896.250   186.0760 3896.250   186.0760 3896.250   186.0760 623.3359 14.94490 623.3359 14.94490 -0.000000 0.000000 
1 1 1 6  13 1  o 904.6078 13.20105 8196.990   238.8354 8196.990   238.8354 ?          ?        904.6078 13.20105 ?        ?        ?         ?        
1 1 1 6  13 2  o 181.5356 3.593790 329.6042   13.04801 329.6042   13.04801 ?          ?        181.5356 3.593790 ?        ?        ?         ?        
1 1 1 6  13 3  o 312.9147 4.985667 979.7357   31.20177 979.7357   31.20177 ?          ?        312.9147 4.985667 ?        ?        ?         ?        
1 1 1 6  13 4  o 117.3950 3.382713 137.8551   7.942269 137.8551   7.942269 ?          ?        117.3950 3.382713 ?        ?        ?         ?        
1 1 1 6  13 5  o 214.8445 3.696753 461.7863   15.88454 461.7863   15.88454 ?          ?        214.8445 3.696753 ?        ?        ?         ?        
1 1 1 6  13 6  o 245.7188 4.502076 604.1797   22.12490 604.1797   22.12490 ?          ?        245.7188 4.502076 ?        ?        ?         ?        
1 1 1 6  13 7  o 229.2307 4.702159 525.8917   21.55759 525.8917   21.55759 ?          ?        229.2307 4.702159 ?        ?        ?         ?        
1 1 1 6  13 8  o 269.9242 4.413611 728.9869   23.82681 728.9869   23.82681 ?          ?        269.9242 4.413611 ?        ?        ?         ?        
1 1 1 6  13 9  o 248.7079 5.702523 618.9297   28.36525 618.9297   28.36525 ?          ?        248.7079 5.702523 ?        ?        ?         ?        
1 1 1 6  13 10 o 354.8685 9.352011 1261.686   66.37468 1261.686   66.37468 ?          ?        354.8685 9.352011 ?        ?        ?         ?        
1 1 1 6  13 11 o 265.3406 8.124496 705.1601   43.11518 705.1601   43.11518 ?          ?        265.3406 8.124496 ?        ?        ?         ?        
1 1 1 6  13 12 o 369.4221 10.74959 1369.474   79.42269 1369.474   79.42269 ?          ?        369.4221 10.74959 ?        ?        ?         ?        
1 1 1 6  13 13 o 530.5840 16.78657 2845.034   178.1338 2845.034   178.1338 ?          ?        530.5840 16.78657 ?        ?        ?         ?        
1 1 1 6  13 14 o 158.4850 7.875013 251.8834   24.96142 251.8834   24.96142 ?          ?        158.4850 7.875013 ?        ?        ?         ?        
1 1 1 6  13 15 o 361.5047 10.98502 1317.849   79.42269 1317.849   79.42269 ?          ?        361.5047 10.98502 ?        ?        ?         ?        
1 1 1 6  13 16 o 294.4453 9.537119 876.4862   56.16319 876.4862   56.16319 ?          ?        294.4453 9.537119 ?        ?        ?         ?        
1 1 1 6  13 17 o 138.9534 9.186070 195.7202   25.52872 195.7202   25.52872 ?          ?        138.9534 9.186070 ?        ?        ?         ?        
1 1 1 6  13 18 o 223.8221 12.16620 517.9495   54.46128 517.9495   54.46128 ?          ?        223.8221 12.16620 ?        ?        ?         ?        
1 1 1 6  13 19 o 44.48754 17.47600 15.31723   22.69220 15.31723   22.69220 ?          ?        44.48754 17.47600 ?        ?        ?         ?        
1 1 1 6  14 0  o 932.6731 19.33066 8726.853   360.2386 8726.853   360.2386 8726.853   360.2386 932.6731 19.33066 932.6731 19.33066 -0.000000 0.000000 
1 1 1 6  14 1  o 386.9221 5.938108 1497.685   45.95170 1497.685   45.95170 ?          ?        386.9221 5.938108 ?        ?        ?         ?        
1 1 1 6  14 2  o 189.6298 3.589974 359.6714   13.61532 359.6714   13.61532 ?          ?        189.6298 3.589974 ?        ?        ?         ?        
1 1 1 6  14 3  o 77.16605 3.675872 59.56702   5.673049 59.56702   5.673049 ?          ?        77.16605 3.675872 ?        ?        ?         ?        
1 1 1 6  14 4  o 557.9222 8.337901 3118.475   93.03801 3118.475   93.03801 ?          ?        557.9222 8.337901 ?        ?        ?         ?        
1 1 1 6  14 5  o 425.6477 6.464100 1814.241   55.02858 1814.241   55.02858 ?          ?        425.6477 6.464100 ?        ?        ?         ?        
1 1 1 6  14 6  o 355.5803 5.584020 1265.657   39.71135 1265.657   39.71135 ?          ?        355.5803 5.584020 ?        ?        ?         ?        
1 1 1 6  14 7  o 207.9913 3.818558 432.8537   15.88454 432.8537   15.88454 ?          ?        207.9913 3.818558 ?        ?        ?         ?        
1 1 1 6  14 8  o 663.0928 14.20203 4422.142   188.3452 4422.142   188.3452 ?          ?        663.0928 14.20203 ?        ?        ?         ?        
1 1 1 6  14 9  o 301.7639 7.989841 911.6590   48.22092 911.6590   48.22092 ?          ?        301.7639 7.989841 ?        ?        ?         ?        
1 1 1 6  14 10 o 350.3549 10.52499 1230.484   73.74965 1230.484   73.74965 ?          ?        350.3549 10.52499 ?        ?        ?         ?        
1 1 1 6  14 11 o 244.3461 9.983425 598.5067   48.78823 598.5067   48.78823 ?          ?        244.3461 9.983425 ?        ?        ?         ?        
1 1 1 6  14 12 o 336.1833 9.871799 1133.475   66.37468 1133.475   66.37468 ?          ?        336.1833 9.871799 ?        ?        ?         ?        
1 1 1 6  14 13 o 563.8788 15.89600 3209.244   179.2684 3209.244   179.2684 ?          ?        563.8788 15.89600 ?        ?        ?         ?        
1 1 1 6  14 14 o 418.7527 12.12501 1764.886   101.5476 1764.886   101.5476 ?          ?        418.7527 12.12501 ?        ?        ?         ?        
1 1 1 6  14 15 o 268.3234 8.879885 723.8811   47.65361 723.8811   47.65361 ?          ?        268.3234 8.879885 ?        ?        ?         ?        
1 1 1 6  14 16 o 176.4240 8.842837 314.2870   31.20177 314.2870   31.20177 ?          ?        176.4240 8.842837 ?        ?        ?         ?        
1 1 1 6  14 17 o 206.3979 11.40668 435.1229   47.08631 435.1229   47.08631 ?          ?        206.3979 11.40668 ?        ?        ?         ?        
1 1 1 6  14 18 o 66.85175 18.18860 49.92284   24.96142 49.92284   24.96142 ?          ?        66.85175 18.18860 ?        ?        ?         ?        
1 1 1 6  14 19 o 98.44253 12.96631 102.1149   25.52872 102.1149   25.52872 ?          ?        98.44253 12.96631 ?        ?        ?         ?        
1 1 1 6  15 0  o 710.5750 14.90429 5063.197   211.6048 5063.197   211.6048 5063.197   211.6048 710.5750 14.90429 710.5750 14.90429 -0.000000 0.000000 
1 1 1 6  15 1  o 356.8739 5.484296 1274.167   39.14404 1274.167   39.14404 ?          ?        356.8739 5.484296 ?        ?        ?         ?        
1 1 1 6  15 2  o 424.0053 6.422240 1799.491   54.46128 1799.491   54.46128 ?          ?        424.0053 6.422240 ?        ?        ?         ?        
1 1 1 6  15 3  o 107.8253 3.419867 116.2975   7.374964 116.2975   7.374964 ?          ?        107.8253 3.419867 ?        ?        ?         ?        
1 1 1 6  15 4  o 194.3398 3.648924 377.8251   14.18262 377.8251   14.18262 ?          ?        194.3398 3.648924 ?        ?        ?         ?        
1 1 1 6  15 5  o 534.6835 8.010632 2864.890   85.66305 2864.890   85.66305 ?          ?        534.6835 8.010632 ?        ?        ?         ?        
1 1 1 6  15 6  o 240.4855 4.128248 578.6511   19.85567 578.6511   19.85567 ?          ?        240.4855 4.128248 ?        ?        ?         ?        
1 1 1 6  15 7  o 197.5032 3.734098 390.3058   14.74993 390.3058   14.74993 ?          ?        197.5032 3.734098 ?        ?        ?         ?        
1 1 1 6  15 8  o 596.9025 12.92564 3580.261   154.3070 3580.261   154.3070 ?          ?        596.9025 12.92564 ?        ?        ?         ?        
1 1 1 6  15 9  o 412.5536 10.58832 1705.319   87.36497 1705.319   87.36497 ?          ?        412.5536 10.58832 ?        ?        ?         ?        
1 1 1 6  15 10 o 289.3134 8.921943 838.4767   51.62476 838.4767   51.62476 ?          ?        289.3134 8.921943 ?        ?        ?         ?        
1 1 1 6  15 11 o 207.2571 6.569291 430.0172   27.23064 430.0172   27.23064 ?          ?        207.2571 6.569291 ?        ?        ?         ?        
1 1 1 6  15 12 o 123.1778 8.290041 152.0377   20.42298 152.0377   20.42298 ?          ?        123.1778 8.290041 ?        ?        ?         ?        
1 1 1 6  15 13 o 300.5966 9.530681 906.5533   57.29780 906.5533   57.29780 ?          ?        300.5966 9.530681 ?        ?        ?         ?        
1 1 1 6  15 14 o 367.4797 10.96078 1357.561   80.55730 1357.561   80.55730 ?          ?        367.4797 10.96078 ?        ?        ?         ?        
1 1 1 6  15 15 o 210.0054 8.239220 443.0652   34.60560 443.0652   34.60560 ?          ?        210.0054 8.239220 ?        ?        ?         ?        
1 1 1 6  15 16 f 348.1529 14.42082 1243.532   100.4130 1243.532   100.4130 ?          ?        348.1529 14.42082 ?        ?        ?         ?        
1 1 1 6  15 17 o 109.5795 11.13078 122.5379   24.39412 122.5379   24.39412 ?          ?        109.5795 11.13078 ?        ?        ?         ?        
1 1 1 6  15 18 o 76.80109 15.68515 64.67276   23.25950 64.67276   23.25950 ?          ?        76.80109 15.68515 ?        ?        ?         ?        
1 1 1 6  15 19 o 174.3431 9.111081 312.0177   31.76908 312.0177   31.76908 ?          ?        174.3431 9.111081 ?        ?        ?         ?        
1 1 1 6  16 0  o 370.9848 8.113325 1379.118   60.13433 1379.118   60.13433 1379.118   60.13433 370.9848 8.113325 370.9848 8.113325 -0.000000 0.000000 
1 1 1 6  16 1  o 469.9944 7.121573 2211.355   66.94199 2211.355   66.94199 ?          ?        469.9944 7.121573 ?        ?        ?         ?        
1 1 1 6  16 2  o 149.1049 3.234026 222.3835   9.644185 222.3835   9.644185 ?          ?        149.1049 3.234026 ?        ?        ?         ?        
1 1 1 6  16 3  o 323.9453 5.078588 1050.082   32.90369 1050.082   32.90369 ?          ?        323.9453 5.078588 ?        ?        ?         ?        
1 1 1 6  16 4  o 437.6437 6.740611 1918.058   58.99971 1918.058   58.99971 ?          ?        437.6437 6.740611 ?        ?        ?         ?        
1 1 1 6  16 5  o 423.9158 6.423595 1799.491   54.46128 1799.491   54.46128 ?          ?        423.9158 6.423595 ?        ?        ?         ?        
1 1 1 6  16 6  o 106.2273 3.738337 112.8937   7.942269 112.8937   7.942269 ?          ?        106.2273 3.738337 ?        ?        ?         ?        
1 1 1 6  16 7  o 159.0235 3.567429 253.0180   11.34610 253.0180   11.34610 ?          ?        159.0235 3.567429 ?        ?        ?         ?        
1 1 1 6  16 8  o 301.2020 6.403799 908.2553   38.57674 908.2553   38.57674 ?          ?        301.2020 6.403799 ?        ?        ?         ?        
1 1 1 6  16 9  o 685.9799 13.64549 4720.544   187.2106 4720.544   187.2106 ?          ?        685.9799 13.64549 ?        ?        ?         ?        
1 1 1 6  16 10 o 526.3225 15.03623 2783.198   158.2781 2783.198   158.2781 ?          ?        526.3225 15.03623 ?        ?        ?         ?        
1 1 1 6  16 11 o 414.2634 10.81850 1721.203   89.63419 1721.203   89.63419 ?          ?        414.2634 10.81850 ?        ?        ?         ?        
1 1 1 6  16 12 o 308.1090 10.58717 952.5050   65.24007 952.5050   65.24007 ?          ?        308.1090 10.58717 ?        ?        ?         ?        
1 1 1 6  16 13 o 600.8881 16.94679 3647.771   203.6625 3647.771   203.6625 ?          ?        600.8881 16.94679 ?        ?        ?         ?        
1 1 1 6  16 14 o 128.8764 9.464152 166.7877   24.39412 166.7877   24.39412 ?          ?        128.8764 9.464152 ?        ?        ?         ?        
1 1 1 6  16 15 o 348.0550 13.93590 1227.648   97.00916 1227.648   97.00916 ?          ?        348.0550 13.93590 ?        ?        ?         ?        
1 1 1 6  16 16 o 283.9514 9.789685 815.7845   55.59589 815.7845   55.59589 ?          ?        283.9514 9.789685 ?        ?        ?         ?        
1 1 1 6  16 17 o 44.52206 16.80221 15.88454   20.42298 15.88454   20.42298 ?          ?        44.52206 16.80221 ?        ?        ?         ?        
1 1 1 6  16 18 o 81.54231 16.91615 73.74965   26.66333 73.74965   26.66333 ?          ?        81.54231 16.91615 ?        ?        ?         ?        
1 1 1 6  16 19 o 91.45956 14.26643 89.06688   26.09603 89.06688   26.09603 ?          ?        91.45956 14.26643 ?        ?        ?         ?        
1 1 1 6  17 0  o 34.47097 13.69654 16.45185   9.076880 16.45185   9.076880 16.45185   9.076880 34.47097 13.69654 34.47097 13.69654 -0.000000 0.000000 
1 1 1 6  17 1  o 120.2563 3.538099 144.6628   8.509575 144.6628   8.509575 ?          ?        120.2563 3.538099 ?        ?        ?         ?        
1 1 1 6  17 2  o 58.80558 5.305921 34.60560   6.240355 34.60560   6.240355 ?          ?        58.80558 5.305921 ?        ?        ?         ?        
1 1 1 6  17 3  o 248.4954 4.223476 617.7951   20.99029 617.7951   20.99029 ?          ?        248.4954 4.223476 ?        ?        ?         ?        
1 1 1 6  17 4  o 172.2164 3.458848 296.7005   11.91340 296.7005   11.91340 ?          ?        172.2164 3.458848 ?        ?        ?         ?        
1 1 1 6  17 5  o 265.4603 4.487829 705.1601   23.82681 705.1601   23.82681 ?          ?        265.4603 4.487829 ?        ?        ?         ?        
1 1 1 6  17 6  o 266.8442 4.464554 712.5350   23.82681 712.5350   23.82681 ?          ?        266.8442 4.464554 ?        ?        ?         ?        
1 1 1 6  17 7  o 742.2532 12.61097 5540.300   187.2106 5540.300   187.2106 ?          ?        742.2532 12.61097 ?        ?        ?         ?        
1 1 1 6  17 8  o 231.7101 5.141514 537.2378   23.82681 537.2378   23.82681 ?          ?        231.7101 5.141514 ?        ?        ?         ?        
1 1 1 6  17 9  o 701.5244 13.99007 4937.823   196.2875 4937.823   196.2875 ?          ?        701.5244 13.99007 ?        ?        ?         ?        
1 1 1 6  17 10 o 643.6652 13.88152 4158.912   178.7011 4158.912   178.7011 ?          ?        643.6652 13.88152 ?        ?        ?         ?        
1 1 1 6  17 11 o 115.3768 7.621314 133.3167   17.58645 133.3167   17.58645 ?          ?        115.3768 7.621314 ?        ?        ?         ?        
1 1 1 6  17 12 o 463.9872 12.10447 2162.567   112.3264 2162.567   112.3264 ?          ?        463.9872 12.10447 ?        ?        ?         ?        
1 1 1 6  17 13 o 740.0530 20.65915 5560.724   305.7773 5560.724   305.7773 ?          ?        740.0530 20.65915 ?        ?        ?         ?        
1 1 1 6  17 14 f 102.2375 18.42955 109.4899   36.30752 109.4899   36.30752 ?          ?        102.2375 18.42955 ?        ?        ?         ?        
1 1 1 6  17 15 o 705.3345 22.52057 5157.937   317.6908 5157.937   317.6908 ?          ?        705.3345 22.52057 ?        ?        ?         ?        
1 1 1 6  17 16 o 251.9480 9.006699 641.0546   45.38440 641.0546   45.38440 ?          ?        251.9480 9.006699 ?        ?        ?         ?        
1 1 1 6  17 17 o 301.5071 9.407821 922.4379   56.73050 922.4379   56.73050 ?          ?        301.5071 9.407821 ?        ?        ?         ?        
1 1 1 6  17 18 o 197.7008 8.895488 398.8154   35.17290 398.8154   35.17290 ?          ?        197.7008 8.895488 ?        ?        ?         ?        
1 1 1 6  17 19 o 84.10305 16.43786 78.85539   26.66333 78.85539   26.66333 ?          ?        84.10305 16.43786 ?        ?        ?         ?        
1 1 1 6  18 0  o 81.84629 5.954715 68.07660   9.644185 68.07660   9.644185 68.07660   9.644185 81.84629 5.954715 81.84629 5.954715 -0.000000 0.000000 
1 1 1 6  18 1  o 441.7580 6.806252 1953.798   60.13433 1953.798   60.13433 ?          ?        441.7580 6.806252 ?        ?        ?         ?        
1 1 1 6  18 2  o 226.1640 4.013406 511.7091   18.15376 511.7091   18.15376 ?          ?        226.1640 4.013406 ?        ?        ?         ?        
1 1 1 6  18 3  f 566.9930 8.454648 3221.725   95.87454 3221.725   95.87454 ?          ?        566.9930 8.454648 ?        ?        ?         ?        
1 1 1 6  18 4  o 234.1535 4.118744 548.5839   19.28837 548.5839   19.28837 ?          ?        234.1535 4.118744 ?        ?        ?         ?        
1 1 1 6  18 5  o 204.2867 3.887806 417.5364   15.88454 417.5364   15.88454 ?          ?        204.2867 3.887806 ?        ?        ?         ?        
1 1 1 6  18 6  o 290.9109 4.777741 846.9863   27.79794 846.9863   27.79794 ?          ?        290.9109 4.777741 ?        ?        ?         ?        
1 1 1 6  18 7  o 960.4886 14.05728 9279.406   270.0372 9279.406   270.0372 ?          ?        960.4886 14.05728 ?        ?        ?         ?        
1 1 1 6  18 8  o 377.4101 7.816393 1426.205   58.99971 1426.205   58.99971 ?          ?        377.4101 7.816393 ?        ?        ?         ?        
1 1 1 6  18 9  o 442.5486 10.38343 1962.308   91.90340 1962.308   91.90340 ?          ?        442.5486 10.38343 ?        ?        ?         ?        
1 1 1 6  18 10 o 280.4063 6.069462 786.8520   34.03830 786.8520   34.03830 ?          ?        280.4063 6.069462 ?        ?        ?         ?        
1 1 1 6  18 11 o 237.6370 7.639282 565.6030   36.30752 565.6030   36.30752 ?          ?        237.6370 7.639282 ?        ?        ?         ?        
1 1 1 6  18 12 o 480.2433 12.52164 2318.008   120.2687 2318.008   120.2687 ?          ?        480.2433 12.52164 ?        ?        ?         ?        
1 1 1 6  18 13 o 199.3395 9.960732 398.8154   39.71135 398.8154   39.71135 ?          ?        199.3395 9.960732 ?        ?        ?         ?        
1 1 1 6  18 14 o 339.2027 10.36929 1157.302   70.34581 1157.302   70.34581 ?          ?        339.2027 10.36929 ?        ?        ?         ?        
1 1 1 6  18 15 o 438.5367 12.87164 1948.693   112.8937 1948.693   112.8937 ?          ?        438.5367 12.87164 ?        ?        ?         ?        
1 1 1 6  18 16 o 230.3574 9.112052 536.1032   41.98057 536.1032   41.98057 ?          ?        230.3574 9.112052 ?        ?        ?         ?        
1 1 1 6  18 17 o 108.0894 12.07150 119.7014   26.09603 119.7014   26.09603 ?          ?        108.0894 12.07150 ?        ?        ?         ?        
1 1 1 6  18 18 o 92.12340 15.08734 89.63419   27.79794 89.63419   27.79794 ?          ?        92.12340 15.08734 ?        ?        ?         ?        
1 1 1 6  18 19 o 119.6595 12.32658 150.3358   29.49986 150.3358   29.49986 ?          ?        119.6595 12.32658 ?        ?        ?         ?        
1 1 1 6  19 0  o 16.84705 10.93378 0.000000   8.509575 0.000000   8.509575 0.000000   8.509575 16.84705 10.93378 16.84705 10.93378 -0.000000 0.000000 
1 1 1 6  19 1  o 219.4219 3.878179 481.6419   17.01915 481.6419   17.01915 ?          ?        219.4219 3.878179 ?        ?        ?         ?        
1 1 1 6  19 2  o 84.85872 4.345437 72.04772   7.374964 72.04772   7.374964 ?          ?        84.85872 4.345437 ?        ?        ?         ?        
1 1 1 6  19 3  o 246.7651 4.253090 609.2856   20.99029 609.2856   20.99029 ?          ?        246.7651 4.253090 ?        ?        ?         ?        
1 1 1 6  19 4  o 334.3112 5.430199 1118.725   36.30752 1118.725   36.30752 ?          ?        334.3112 5.430199 ?        ?        ?         ?        
1 1 1 6  19 5  o 263.8545 4.515141 696.6505   23.82681 696.6505   23.82681 ?          ?        263.8545 4.515141 ?        ?        ?         ?        
1 1 1 6  19 6  o 219.6513 4.003267 482.7765   17.58645 482.7765   17.58645 ?          ?        219.6513 4.003267 ?        ?        ?         ?        
1 1 1 6  19 7  o 457.1167 8.066830 2093.355   73.74965 2093.355   73.74965 ?          ?        457.1167 8.066830 ?        ?        ?         ?        
1 1 1 6  19 8  o 414.6571 8.482408 1721.771   70.34581 1721.771   70.34581 ?          ?        414.6571 8.482408 ?        ?        ?         ?        
1 1 1 6  19 9  o 261.2641 5.754170 683.0352   30.06716 683.0352   30.06716 ?          ?        261.2641 5.754170 ?        ?        ?         ?        
1 1 1 6  19 10 o 21.42855 9.102201 0.000000   6.807660 0.000000   6.807660 ?          ?        21.42855 9.102201 ?        ?        ?         ?        
1 1 1 6  19 11 o 464.5178 11.05256 2165.403   102.6822 2165.403   102.6822 ?          ?        464.5178 11.05256 ?        ?        ?         ?        
1 1 1 6  19 12 o 301.2656 14.87627 914.4956   89.63419 914.4956   89.63419 ?          ?        301.2656 14.87627 ?        ?        ?         ?        
1 1 1 6  19 13 o 87.67671 9.705627 77.15348   17.01915 77.15348   17.01915 ?          ?        87.67671 9.705627 ?        ?        ?         ?        
1 1 1 6  19 14 o 263.4699 8.074523 696.6505   42.54787 696.6505   42.54787 ?          ?        263.4699 8.074523 ?        ?        ?         ?        
1 1 1 6  19 15 o 256.6029 7.848439 662.0449   40.27865 662.0449   40.27865 ?          ?        256.6029 7.848439 ?        ?        ?         ?        
1 1 1 6  19 16 o 175.7888 7.745272 311.4504   27.23064 311.4504   27.23064 ?          ?        175.7888 7.745272 ?        ?        ?         ?        
1 1 1 6  19 17 o 186.1113 7.163274 349.4599   26.66333 349.4599   26.66333 ?          ?        186.1113 7.163274 ?        ?        ?         ?        
1 1 1 6  19 18 o 93.67894 12.71727 91.33610   23.82681 91.33610   23.82681 ?          ?        93.67894 12.71727 ?        ?        ?         ?        
1 1 1 6  19 19 o 132.5820 11.12513 183.2395   29.49986 183.2395   29.49986 ?          ?        132.5820 11.12513 ?        ?        ?         ?        
1 1 1 6  20 0  o 16.37920 10.96903 -2.836525  9.644185 -2.836525  9.644185 -2.836525  9.644185 16.37920 10.96903 16.37920 10.96903 -0.000000 0.000000 
1 1 1 6  20 1  o 400.5423 6.161089 1606.041   49.35553 1606.041   49.35553 ?          ?        400.5423 6.161089 ?        ?        ?         ?        
1 1 1 6  20 2  o 94.64937 4.195627 89.63419   7.942269 89.63419   7.942269 ?          ?        94.64937 4.195627 ?        ?        ?         ?        
1 1 1 6  20 3  o 631.7735 9.383643 4002.904   118.5667 4002.904   118.5667 ?          ?        631.7735 9.383643 ?        ?        ?         ?        
1 1 1 6  20 4  o 103.5186 4.110169 107.2206   8.509575 107.2206   8.509575 ?          ?        103.5186 4.110169 ?        ?        ?         ?        
1 1 1 6  20 5  o 220.1838 3.864759 485.0457   17.01915 485.0457   17.01915 ?          ?        220.1838 3.864759 ?        ?        ?         ?        
1 1 1 6  20 6  o 273.3154 4.670196 747.7079   25.52872 747.7079   25.52872 ?          ?        273.3154 4.670196 ?        ?        ?         ?        
1 1 1 6  20 7  o 652.5016 15.17157 4285.989   197.9895 4285.989   197.9895 ?          ?        652.5016 15.17157 ?        ?        ?         ?        
1 1 1 6  20 8  o 192.1370 4.724170 369.3155   18.15376 369.3155   18.15376 ?          ?        192.1370 4.724170 ?        ?        ?         ?        
1 1 1 6  20 9  o 358.0631 7.921858 1283.811   56.73050 1283.811   56.73050 ?          ?        358.0631 7.921858 ?        ?        ?         ?        
1 1 1 6  20 10 o 370.6850 8.417329 1376.282   62.40355 1376.282   62.40355 ?          ?        370.6850 8.417329 ?        ?        ?         ?        
1 1 1 6  20 11 o 482.3545 13.52534 2339.566   130.4801 2339.566   130.4801 ?          ?        482.3545 13.52534 ?        ?        ?         ?        
1 1 1 6  20 12 o 284.6517 11.35998 814.0826   64.67276 814.0826   64.67276 ?          ?        284.6517 11.35998 ?        ?        ?         ?        
1 1 1 6  20 13 o 141.7493 7.404016 201.3933   20.99029 201.3933   20.99029 ?          ?        141.7493 7.404016 ?        ?        ?         ?        
1 1 1 6  20 14 o 168.1318 7.760586 283.6525   26.09603 283.6525   26.09603 ?          ?        168.1318 7.760586 ?        ?        ?         ?        
1 1 1 6  20 15 f 171.9511 7.753173 297.2678   26.66333 297.2678   26.66333 ?          ?        171.9511 7.753173 ?        ?        ?         ?        
1 1 1 6  20 16 o 29.05915 13.64824 -20.99029  20.42298 -20.99029  20.42298 ?          ?        29.05915 13.64824 ?        ?        ?         ?        
1 1 1 6  20 17 o 43.40243 16.51198 14.74993   19.85567 14.74993   19.85567 ?          ?        43.40243 16.51198 ?        ?        ?         ?        
1 1 1 6  20 18 o 180.0041 9.139705 331.3061   32.90369 331.3061   32.90369 ?          ?        180.0041 9.139705 ?        ?        ?         ?        
1 1 1 6  20 19 o 84.70766 17.00710 81.12460   27.79794 81.12460   27.79794 ?          ?        84.70766 17.00710 ?        ?        ?         ?        
1 1 1 6  21 0  o 395.3900 8.761842 1567.464   69.21120 1567.464   69.21120 1567.464   69.21120 395.3900 8.761842 395.3900 8.761842 -0.000000 0.000000 
1 1 1 6  21 1  o 120.4879 3.531300 145.2301   8.509575 145.2301   8.509575 ?          ?        120.4879 3.531300 ?        ?        ?         ?        
1 1 1 6  21 2  o 210.9771 3.898965 445.3344   16.45185 445.3344   16.45185 ?          ?        210.9771 3.898965 ?        ?        ?         ?        
1 1 1 6  21 3  o 657.8365 9.744893 4341.018   128.2109 4341.018   128.2109 ?          ?        657.8365 9.744893 ?        ?        ?         ?        
1 1 1 6  21 4  o 238.3523 4.165195 568.4396   19.85567 568.4396   19.85567 ?          ?        238.3523 4.165195 ?        ?        ?         ?        
1 1 1 6  21 5  f 196.2174 3.758568 385.2001   14.74993 385.2001   14.74993 ?          ?        196.2174 3.758568 ?        ?        ?         ?        
1 1 1 6  21 6  o 516.1188 8.463648 2670.872   87.36497 2670.872   87.36497 ?          ?        516.1188 8.463648 ?        ?        ?         ?        
1 1 1 6  21 7  o 399.9630 9.574158 1603.771   76.58617 1603.771   76.58617 ?          ?        399.9630 9.574158 ?        ?        ?         ?        
1 1 1 6  21 8  o 216.2928 4.983427 468.0266   21.55759 468.0266   21.55759 ?          ?        216.2928 4.983427 ?        ?        ?         ?        
1 1 1 6  21 9  o 477.6081 11.16536 2287.374   106.6533 2287.374   106.6533 ?          ?        477.6081 11.16536 ?        ?        ?         ?        
1 1 1 6  21 10 o 429.6019 11.15853 1851.116   95.87454 1851.116   95.87454 ?          ?        429.6019 11.15853 ?        ?        ?         ?        
1 1 1 6  21 11 o 361.7394 8.782310 1311.609   63.53815 1311.609   63.53815 ?          ?        361.7394 8.782310 ?        ?        ?         ?        
1 1 1 6  21 12 o 180.9391 6.427441 327.9023   23.25950 327.9023   23.25950 ?          ?        180.9391 6.427441 ?        ?        ?         ?        
1 1 1 6  21 13 o 50.20705 16.55729 24.39412   19.28837 24.39412   19.28837 ?          ?        50.20705 16.55729 ?        ?        ?         ?        
1 1 1 6  21 14 o 270.7472 8.486092 736.3619   45.95170 736.3619   45.95170 ?          ?        270.7472 8.486092 ?        ?        ?         ?        
1 1 1 6  21 15 o 132.8501 8.327015 177.5665   22.12490 177.5665   22.12490 ?          ?        132.8501 8.327015 ?        ?        ?         ?        
1 1 1 6  21 16 o 257.4830 8.152105 669.4198   41.98057 669.4198   41.98057 ?          ?        257.4830 8.152105 ?        ?        ?         ?        
1 1 1 6  21 17 o 292.2592 8.832014 867.4093   51.62476 867.4093   51.62476 ?          ?        292.2592 8.832014 ?        ?        ?         ?        
1 1 1 6  21 18 o 49.65129 16.79904 25.52872   19.85567 25.52872   19.85567 ?          ?        49.65129 16.79904 ?        ?        ?         ?        
1 1 1 6  21 19 o 253.3103 8.398372 657.5065   42.54787 657.5065   42.54787 ?          ?        253.3103 8.398372 ?        ?        ?         ?        
1 1 1 6  22 0  o 91.82757 6.553922 85.66305   11.91340 85.66305   11.91340 85.66305   11.91340 91.82757 6.553922 91.82757 6.553922 -0.000000 0.000000 
1 1 1 6  22 1  o 758.9929 11.17429 5784.241   169.6242 5784.241   169.6242 ?          ?        758.9929 11.17429 ?        ?        ?         ?        
1 1 1 6  22 2  o 131.2952 3.672710 172.4607   9.644185 172.4607   9.644185 ?          ?        131.2952 3.672710 ?        ?        ?         ?        
1 1 1 6  22 3  o 475.8290 7.272696 2268.085   69.21120 2268.085   69.21120 ?          ?        475.8290 7.272696 ?        ?        ?         ?        
1 1 1 6  22 4  o 398.8055 6.187921 1592.425   49.35553 1592.425   49.35553 ?          ?        398.8055 6.187921 ?        ?        ?         ?        
1 1 1 6  22 5  o 357.6829 5.709801 1280.975   40.84595 1280.975   40.84595 ?          ?        357.6829 5.709801 ?        ?        ?         ?        
1 1 1 6  22 6  o 485.2178 7.482726 2358.287   72.61504 2358.287   72.61504 ?          ?        485.2178 7.482726 ?        ?        ?         ?        
1 1 1 6  22 7  o 746.9968 15.94840 5612.916   238.2681 5612.916   238.2681 ?          ?        746.9968 15.94840 ?        ?        ?         ?        
1 1 1 6  22 8  o 341.0394 7.236045 1164.110   49.35553 1164.110   49.35553 ?          ?        341.0394 7.236045 ?        ?        ?         ?        
1 1 1 6  22 9  o 834.4459 19.27398 7017.563   321.6619 7017.563   321.6619 ?          ?        834.4459 19.27398 ?        ?        ?         ?        
1 1 1 6  22 10 o 444.6666 9.951228 1982.164   88.49958 1982.164   88.49958 ?          ?        444.6666 9.951228 ?        ?        ?         ?        
1 1 1 6  22 11 o 444.5972 11.48398 1984.433   102.1149 1984.433   102.1149 ?          ?        444.5972 11.48398 ?        ?        ?         ?        
1 1 1 6  22 12 o 348.5760 8.788463 1218.571   61.26894 1218.571   61.26894 ?          ?        348.5760 8.788463 ?        ?        ?         ?        
1 1 1 6  22 13 o 72.08753 15.04997 54.46128   20.99029 54.46128   20.99029 ?          ?        72.08753 15.04997 ?        ?        ?         ?        
1 1 1 6  22 14 o 117.9796 9.857430 140.1243   23.25950 140.1243   23.25950 ?          ?        117.9796 9.857430 ?        ?        ?         ?        
1 1 1 6  22 15 o 510.4960 15.00231 2661.795   153.1723 2661.795   153.1723 ?          ?        510.4960 15.00231 ?        ?        ?         ?        
1 1 1 6  22 16 o 226.8888 8.001170 519.6514   36.30752 519.6514   36.30752 ?          ?        226.8888 8.001170 ?        ?        ?         ?        
1 1 1 6  22 17 o 98.70943 10.63236 99.84568   20.99029 99.84568   20.99029 ?          ?        98.70943 10.63236 ?        ?        ?         ?        
1 1 1 6  22 18 o 87.62482 12.30108 79.99000   21.55759 79.99000   21.55759 ?          ?        87.62482 12.30108 ?        ?        ?         ?        
1 1 1 6  22 19 o 65.52160 16.80385 48.78823   22.12490 48.78823   22.12490 ?          ?        65.52160 16.80385 ?        ?        ?         ?        
1 1 1 6  23 0  o 43.93640 13.97672 24.39412   10.77879 24.39412   10.77879 24.39412   10.77879 43.93640 13.97672 43.93640 13.97672 -0.000000 0.000000 
1 1 1 6  23 1  o 300.5896 5.001365 904.2841   30.06716 904.2841   30.06716 ?          ?        300.5896 5.001365 ?        ?        ?         ?        
1 1 1 6  23 2  o 339.4420 5.431682 1153.331   36.87482 1153.331   36.87482 ?          ?        339.4420 5.431682 ?        ?        ?         ?        
1 1 1 6  23 3  o 200.9303 3.811579 403.9211   15.31723 403.9211   15.31723 ?          ?        200.9303 3.811579 ?        ?        ?         ?        
1 1 1 6  23 4  o 277.3566 4.704417 769.8329   26.09603 769.8329   26.09603 ?          ?        277.3566 4.704417 ?        ?        ?         ?        
1 1 1 6  23 5  o 427.9211 6.694904 1834.664   57.29780 1834.664   57.29780 ?          ?        427.9211 6.694904 ?        ?        ?         ?        
1 1 1 6  23 6  o 170.6980 5.151337 291.5948   17.58645 291.5948   17.58645 ?          ?        170.6980 5.151337 ?        ?        ?         ?        
1 1 1 6  23 7  o 210.4392 4.987256 443.0652   20.99029 443.0652   20.99029 ?          ?        210.4392 4.987256 ?        ?        ?         ?        
1 1 1 6  23 8  o 138.4384 5.327253 191.7491   14.74993 191.7491   14.74993 ?          ?        138.4384 5.327253 ?        ?        ?         ?        
1 1 1 6  23 9  o 313.1360 6.793833 981.4376   42.54787 981.4376   42.54787 ?          ?        313.1360 6.793833 ?        ?        ?         ?        
1 1 1 6  23 10 o 239.6142 6.037320 574.6800   28.93255 574.6800   28.93255 ?          ?        239.6142 6.037320 ?        ?        ?         ?        
1 1 1 6  23 11 o 518.2061 12.31591 2697.535   127.6436 2697.535   127.6436 ?          ?        518.2061 12.31591 ?        ?        ?         ?        
1 1 1 6  23 12 o 213.8339 5.836637 457.8151   24.96142 457.8151   24.96142 ?          ?        213.8339 5.836637 ?        ?        ?         ?        
1 1 1 6  23 13 o 77.08772 7.359214 59.56702   11.34610 59.56702   11.34610 ?          ?        77.08772 7.359214 ?        ?        ?         ?        
1 1 1 6  23 14 o 222.1385 8.299961 495.8246   36.87482 495.8246   36.87482 ?          ?        222.1385 8.299961 ?        ?        ?         ?        
1 1 1 6  23 15 o 180.6116 7.852555 328.4696   28.36525 328.4696   28.36525 ?          ?        180.6116 7.852555 ?        ?        ?         ?        
1 1 1 6  23 16 o 236.1424 8.168109 563.3339   38.57674 563.3339   38.57674 ?          ?        236.1424 8.168109 ?        ?        ?         ?        
1 1 1 6  23 17 o 205.9806 7.711668 430.0172   31.76908 430.0172   31.76908 ?          ?        205.9806 7.711668 ?        ?        ?         ?        
1 1 1 6  23 18 o 140.6240 8.673525 201.9606   24.39412 201.9606   24.39412 ?          ?        140.6240 8.673525 ?        ?        ?         ?        
1 1 1 6  24 0  o 162.1059 5.437789 263.7968   17.58645 263.7968   17.58645 263.7968   17.58645 162.1059 5.437789 162.1059 5.437789 -0.000000 0.000000 
1 1 1 6  24 1  o 292.4721 4.849224 856.0632   28.36525 856.0632   28.36525 ?          ?        292.4721 4.849224 ?        ?        ?         ?        
1 1 1 6  24 2  o 133.6435 4.032667 178.7011   10.77879 178.7011   10.77879 ?          ?        133.6435 4.032667 ?        ?        ?         ?        
1 1 1 6  24 3  o 418.8054 6.501979 1756.376   54.46128 1756.376   54.46128 ?          ?        418.8054 6.501979 ?        ?        ?         ?        
1 1 1 6  24 4  o 314.9340 5.133835 992.7838   32.33638 992.7838   32.33638 ?          ?        314.9340 5.133835 ?        ?        ?         ?        
1 1 1 6  24 5  o 619.2127 10.76501 3850.866   133.3167 3850.866   133.3167 ?          ?        619.2127 10.76501 ?        ?        ?         ?        
1 1 1 6  24 6  o 212.4191 5.207841 451.5747   22.12490 451.5747   22.12490 ?          ?        212.4191 5.207841 ?        ?        ?         ?        
1 1 1 6  24 7  o 517.2070 14.69796 2685.622   152.0377 2685.622   152.0377 ?          ?        517.2070 14.69796 ?        ?        ?         ?        
1 1 1 6  24 8  o 285.4087 6.261235 815.2172   35.74022 815.2172   35.74022 ?          ?        285.4087 6.261235 ?        ?        ?         ?        
1 1 1 6  24 9  o 337.6743 7.140152 1141.418   48.22092 1141.418   48.22092 ?          ?        337.6743 7.140152 ?        ?        ?         ?        
1 1 1 6  24 10 o 630.4379 13.90281 3994.961   175.2972 3994.961   175.2972 ?          ?        630.4379 13.90281 ?        ?        ?         ?        
1 1 1 6  24 11 o 397.5575 9.632088 1585.050   76.58617 1585.050   76.58617 ?          ?        397.5575 9.632088 ?        ?        ?         ?        
1 1 1 6  24 12 o 190.1323 5.818288 361.9406   22.12490 361.9406   22.12490 ?          ?        190.1323 5.818288 ?        ?        ?         ?        
1 1 1 6  24 13 o 154.0390 6.260871 237.7008   19.28837 237.7008   19.28837 ?          ?        154.0390 6.260871 ?        ?        ?         ?        
1 1 1 6  24 14 o 345.3932 10.92256 1202.687   75.45156 1202.687   75.45156 ?          ?        345.3932 10.92256 ?        ?        ?         ?        
1 1 1 6  24 15 o 69.96442 13.45359 51.62476   18.15376 51.62476   18.15376 ?          ?        69.96442 13.45359 ?        ?        ?         ?        
1 1 1 6  24 16 o 107.6282 9.224200 117.4321   19.85567 117.4321   19.85567 ?          ?        107.6282 9.224200 ?        ?        ?         ?        
1 1 1 6  24 17 o 191.6916 7.990562 372.7193   30.63447 372.7193   30.63447 ?          ?        191.6916 7.990562 ?        ?        ?         ?        
1 1 1 6  24 18 o 200.0744 8.222862 408.4596   32.90369 408.4596   32.90369 ?          ?        200.0744 8.222862 ?        ?        ?         ?        
1 1 1 6  25 0  o 28.82119 15.63172 11.91340   12.48071 11.91340   12.48071 11.91340   12.48071 28.82119 15.63172 28.82119 15.63172 -0.000000 0.000000 
1 1 1 6  25 1  o 236.0764 4.325502 557.6608   20.42298 557.6608   20.42298 ?          ?        236.0764 4.325502 ?        ?        ?         ?        
1 1 1 6  25 2  o 150.7930 3.762144 227.4893   11.34610 227.4893   11.34610 ?          ?        150.7930 3.762144 ?        ?        ?         ?        
1 1 1 6  25 3  o 206.4948 3.846232 426.6133   15.88454 426.6133   15.88454 ?          ?        206.4948 3.846232 ?        ?        ?         ?        
1 1 1 6  25 4  o 152.8290 4.083227 233.7296   12.48071 233.7296   12.48071 ?          ?        152.8290 4.083227 ?        ?        ?         ?        
1 1 1 6  25 5  f 230.9860 4.298025 533.8340   19.85567 533.8340   19.85567 ?          ?        230.9860 4.298025 ?        ?        ?         ?        
1 1 1 6  25 6  o 553.9669 14.18347 3084.437   157.1435 3084.437   157.1435 ?          ?        553.9669 14.18347 ?        ?        ?         ?        
1 1 1 6  25 7  o 437.6729 9.591769 1918.625   83.96114 1918.625   83.96114 ?          ?        437.6729 9.591769 ?        ?        ?         ?        
1 1 1 6  25 8  o 392.9419 9.456481 1547.041   74.31695 1547.041   74.31695 ?          ?        392.9419 9.456481 ?        ?        ?         ?        
1 1 1 6  25 9  o 990.8782 23.01560 9934.077   456.1132 9934.077   456.1132 ?          ?        990.8782 23.01560 ?        ?        ?         ?        
1 1 1 6  25 10 o 455.9550 10.32697 2085.413   94.17262 2085.413   94.17262 ?          ?        455.9550 10.32697 ?        ?        ?         ?        
1 1 1 6  25 11 o 480.6583 10.74043 2319.143   103.2495 2319.143   103.2495 ?          ?        480.6583 10.74043 ?        ?        ?         ?        
1 1 1 6  25 12 o 523.4365 11.75932 2753.698   123.1052 2753.698   123.1052 ?          ?        523.4365 11.75932 ?        ?        ?         ?        
1 1 1 6  25 13 o 433.9461 9.870241 1892.529   85.66305 1892.529   85.66305 ?          ?        433.9461 9.870241 ?        ?        ?         ?        
1 1 1 6  25 14 o 296.3925 9.857269 884.4283   58.43241 884.4283   58.43241 ?          ?        296.3925 9.857269 ?        ?        ?         ?        
1 1 1 6  25 15 o 285.8576 8.732117 824.8613   49.92284 824.8613   49.92284 ?          ?        285.8576 8.732117 ?        ?        ?         ?        
1 1 1 6  25 16 o 82.15076 12.43018 69.21120   20.42298 69.21120   20.42298 ?          ?        82.15076 12.43018 ?        ?        ?         ?        
1 1 1 6  25 17 o 231.2497 7.972945 542.9108   36.87482 542.9108   36.87482 ?          ?        231.2497 7.972945 ?        ?        ?         ?        
1 1 1 6  25 18 o 46.55207 16.05243 22.12490   18.15376 22.12490   18.15376 ?          ?        46.55207 16.05243 ?        ?        ?         ?        
1 1 1 6  26 0  o 19.04911 12.58669 -1.701915  11.91340 -1.701915  11.91340 -1.701915  11.91340 19.04911 12.58669 19.04911 12.58669 -0.000000 0.000000 
1 1 1 6  26 1  o 505.1765 7.636291 2556.844   77.15348 2556.844   77.15348 ?          ?        505.1765 7.636291 ?        ?        ?         ?        
1 1 1 6  26 2  f 157.9546 3.771149 249.6142   11.91340 249.6142   11.91340 ?          ?        157.9546 3.771149 ?        ?        ?         ?        
1 1 1 6  26 3  o 60.19902 7.067867 36.30752   8.509575 36.30752   8.509575 ?          ?        60.19902 7.067867 ?        ?        ?         ?        
1 1 1 6  26 4  o 304.3609 5.684962 927.5436   34.60560 927.5436   34.60560 ?          ?        304.3609 5.684962 ?        ?        ?         ?        
1 1 1 6  26 5  o 306.8970 7.671353 943.4282   47.08631 943.4282   47.08631 ?          ?        306.8970 7.671353 ?        ?        ?         ?        
1 1 1 6  26 6  o 481.6193 9.894458 2324.249   95.30723 2324.249   95.30723 ?          ?        481.6193 9.894458 ?        ?        ?         ?        
1 1 1 6  26 7  o 1488.324 34.43875 22596.89   1025.120 22596.89   1025.120 ?          ?        1488.324 34.43875 ?        ?        ?         ?        
1 1 1 6  26 8  o 215.8672 5.781660 466.3247   24.96142 466.3247   24.96142 ?          ?        215.8672 5.781660 ?        ?        ?         ?        
1 1 1 6  26 9  o 433.4329 9.685598 1882.885   83.96114 1882.885   83.96114 ?          ?        433.4329 9.685598 ?        ?        ?         ?        
1 1 1 6  26 10 o 505.8794 12.05530 2570.459   121.9706 2570.459   121.9706 ?          ?        505.8794 12.05530 ?        ?        ?         ?        
1 1 1 6  26 11 o 212.1987 6.683652 451.0074   28.36525 451.0074   28.36525 ?          ?        212.1987 6.683652 ?        ?        ?         ?        
1 1 1 6  26 12 o 236.2009 6.364743 558.7954   30.06716 558.7954   30.06716 ?          ?        236.2009 6.364743 ?        ?        ?         ?        
1 1 1 6  26 13 o 363.4732 8.506300 1326.359   61.83624 1326.359   61.83624 ?          ?        363.4732 8.506300 ?        ?        ?         ?        
1 1 1 6  26 14 o 134.5253 6.325633 181.5376   17.01915 181.5376   17.01915 ?          ?        134.5253 6.325633 ?        ?        ?         ?        
1 1 1 6  26 15 o 225.6810 9.175178 514.5456   41.41326 514.5456   41.41326 ?          ?        225.6810 9.175178 ?        ?        ?         ?        
1 1 1 6  26 16 o 102.1562 9.995960 106.0860   20.42298 106.0860   20.42298 ?          ?        102.1562 9.995960 ?        ?        ?         ?        
1 1 1 6  26 17 o 66.20832 15.29185 48.22092   19.85567 48.22092   19.85567 ?          ?        66.20832 15.29185 ?        ?        ?         ?        
1 1 1 6  26 18 o 77.71160 14.01766 65.80738   20.99029 65.80738   20.99029 ?          ?        77.71160 14.01766 ?        ?        ?         ?        
1 1 1 6  27 0  o 228.9985 6.203397 525.8917   28.36525 525.8917   28.36525 525.8917   28.36525 228.9985 6.203397 228.9985 6.203397 -0.000000 0.000000 
1 1 1 6  27 1  o 227.2703 4.118679 516.8148   18.72106 516.8148   18.72106 ?          ?        227.2703 4.118679 ?        ?        ?         ?        
1 1 1 6  27 2  o 27.46107 10.72071 4.538440   8.509575 4.538440   8.509575 ?          ?        27.46107 10.72071 ?        ?        ?         ?        
1 1 1 6  27 3  o 549.1168 8.368294 3024.303   91.90340 3024.303   91.90340 ?          ?        549.1168 8.368294 ?        ?        ?         ?        
1 1 1 6  27 4  o 244.7843 4.982778 599.6413   24.39412 599.6413   24.39412 ?          ?        244.7843 4.982778 ?        ?        ?         ?        
1 1 1 6  27 5  o 292.6140 6.300933 857.1978   36.87482 857.1978   36.87482 ?          ?        292.6140 6.300933 ?        ?        ?         ?        
1 1 1 6  27 6  o 758.8050 17.64406 5791.049   267.7679 5791.049   267.7679 ?          ?        758.8050 17.64406 ?        ?        ?         ?        
1 1 1 6  27 7  o 220.1633 6.055355 485.0457   26.66333 485.0457   26.66333 ?          ?        220.1633 6.055355 ?        ?        ?         ?        
1 1 1 6  27 8  o 153.7717 4.796048 236.5662   14.74993 236.5662   14.74993 ?          ?        153.7717 4.796048 ?        ?        ?         ?        
1 1 1 6  27 9  o 549.2782 12.18727 3028.274   133.8840 3028.274   133.8840 ?          ?        549.2782 12.18727 ?        ?        ?         ?        
1 1 1 6  27 10 o 460.3851 10.28921 2126.259   94.73994 2126.259   94.73994 ?          ?        460.3851 10.28921 ?        ?        ?         ?        
1 1 1 6  27 11 o 338.8857 9.290869 1152.196   62.97085 1152.196   62.97085 ?          ?        338.8857 9.290869 ?        ?        ?         ?        
1 1 1 6  27 12 f 55.75543 11.07717 32.33638   11.91340 32.33638   11.91340 ?          ?        55.75543 11.07717 ?        ?        ?         ?        
1 1 1 6  27 13 o 326.0707 8.612119 1067.668   56.16319 1067.668   56.16319 ?          ?        326.0707 8.612119 ?        ?        ?         ?        
1 1 1 6  27 14 o 79.51090 7.491680 63.53815   11.91340 63.53815   11.91340 ?          ?        79.51090 7.491680 ?        ?        ?         ?        
1 1 1 6  27 15 o 100.5989 10.71463 102.6822   21.55759 102.6822   21.55759 ?          ?        100.5989 10.71463 ?        ?        ?         ?        
1 1 1 6  27 16 o 92.47349 11.34935 87.36497   20.99029 87.36497   20.99029 ?          ?        92.47349 11.34935 ?        ?        ?         ?        
1 1 1 6  27 17 o 213.8313 7.959147 464.6228   34.03830 464.6228   34.03830 ?          ?        213.8313 7.959147 ?        ?        ?         ?        
1 1 1 6  27 18 o 125.0801 9.071068 160.5473   22.69220 160.5473   22.69220 ?          ?        125.0801 9.071068 ?        ?        ?         ?        
1 1 1 6  28 0  o 378.3635 9.760262 1436.983   73.74965 1436.983   73.74965 1436.983   73.74965 378.3635 9.760262 378.3635 9.760262 -0.000000 0.000000 
1 1 1 6  28 1  o 355.2205 5.669528 1263.388   40.27865 1263.388   40.27865 ?          ?        355.2205 5.669528 ?        ?        ?         ?        
1 1 1 6  28 2  o 327.9442 5.276142 1076.745   34.60560 1076.745   34.60560 ?          ?        327.9442 5.276142 ?        ?        ?         ?        
1 1 1 6  28 3  o 340.4863 5.831564 1160.706   39.71135 1160.706   39.71135 ?          ?        340.4863 5.831564 ?        ?        ?         ?        
1 1 1 6  28 4  f 205.5029 5.245082 422.6422   21.55759 422.6422   21.55759 ?          ?        205.5029 5.245082 ?        ?        ?         ?        
1 1 1 6  28 5  o 439.2360 9.622212 1933.375   84.52843 1933.375   84.52843 ?          ?        439.2360 9.622212 ?        ?        ?         ?        
1 1 1 6  28 6  o 595.8267 16.94793 3567.781   201.9606 3567.781   201.9606 ?          ?        595.8267 16.94793 ?        ?        ?         ?        
1 1 1 6  28 7  f 546.1232 15.58179 2997.639   170.1915 2997.639   170.1915 ?          ?        546.1232 15.58179 ?        ?        ?         ?        
1 1 1 6  28 8  o 97.00911 5.847956 94.17262   11.34610 94.17262   11.34610 ?          ?        97.00911 5.847956 ?        ?        ?         ?        
1 1 1 6  28 9  o 585.2796 12.89154 3440.137   150.9031 3440.137   150.9031 ?          ?        585.2796 12.89154 ?        ?        ?         ?        
1 1 1 6  28 10 o 177.8377 5.582527 316.5562   19.85567 316.5562   19.85567 ?          ?        177.8377 5.582527 ?        ?        ?         ?        
1 1 1 6  28 11 o 380.7664 9.386389 1454.570   71.48043 1454.570   71.48043 ?          ?        380.7664 9.386389 ?        ?        ?         ?        
1 1 1 6  28 12 o 332.8789 7.924708 1111.350   52.75936 1111.350   52.75936 ?          ?        332.8789 7.924708 ?        ?        ?         ?        
1 1 1 6  28 13 o 48.27137 12.74005 24.39412   12.48071 24.39412   12.48071 ?          ?        48.27137 12.74005 ?        ?        ?         ?        
1 1 1 6  28 14 o 131.1272 5.840602 172.4607   15.31723 172.4607   15.31723 ?          ?        131.1272 5.840602 ?        ?        ?         ?        
1 1 1 6  28 15 o 295.2119 7.975002 879.3227   47.08631 879.3227   47.08631 ?          ?        295.2119 7.975002 ?        ?        ?         ?        
1 1 1 6  28 16 o 42.05909 16.86078 10.21149   21.55759 10.21149   21.55759 ?          ?        42.05909 16.86078 ?        ?        ?         ?        
1 1 1 6  28 17 o 242.4561 8.306379 597.9395   40.27865 597.9395   40.27865 ?          ?        242.4561 8.306379 ?        ?        ?         ?        
1 1 1 6  28 18 o 63.53349 16.05638 45.38440   20.42298 45.38440   20.42298 ?          ?        63.53349 16.05638 ?        ?        ?         ?        
1 1 1 6  29 0  o 194.7731 5.836843 380.6616   22.69220 380.6616   22.69220 380.6616   22.69220 194.7731 5.836843 194.7731 5.836843 -0.000000 0.000000 
1 1 1 6  29 1  o 346.8629 5.969688 1204.956   41.41326 1204.956   41.41326 ?          ?        346.8629 5.969688 ?        ?        ?         ?        
1 1 1 6  29 2  o 340.0960 6.505486 1158.437   44.24979 1158.437   44.24979 ?          ?        340.0960 6.505486 ?        ?        ?         ?        
1 1 1 6  29 3  o 437.7420 6.739098 1918.625   58.99971 1918.625   58.99971 ?          ?        437.7420 6.739098 ?        ?        ?         ?        
1 1 1 6  29 4  f 200.4800 5.093519 402.2192   20.42298 402.2192   20.42298 ?          ?        200.4800 5.093519 ?        ?        ?         ?        
1 1 1 6  29 5  o 1163.321 29.47903 13759.41   685.8717 13759.41   685.8717 ?          ?        1163.321 29.47903 ?        ?        ?         ?        
1 1 1 6  29 6  o 861.5222 24.33126 7496.935   419.2384 7496.935   419.2384 ?          ?        861.5222 24.33126 ?        ?        ?         ?        
1 1 1 6  29 7  o 1203.519 30.66274 14785.10   738.0638 14785.10   738.0638 ?          ?        1203.519 30.66274 ?        ?        ?         ?        
1 1 1 6  29 8  o 270.2848 6.611585 731.2560   35.74022 731.2560   35.74022 ?          ?        270.2848 6.611585 ?        ?        ?         ?        
1 1 1 6  29 9  o 174.7856 5.680007 305.7773   19.85567 305.7773   19.85567 ?          ?        174.7856 5.680007 ?        ?        ?         ?        
1 1 1 6  29 10 f 191.4853 5.777179 367.0463   22.12490 367.0463   22.12490 ?          ?        191.4853 5.777179 ?        ?        ?         ?        
1 1 1 6  29 11 f 982.5066 25.08828 9871.106   492.9881 9871.106   492.9881 ?          ?        982.5066 25.08828 ?        ?        ?         ?        
1 1 1 6  29 12 o 297.5174 7.341165 887.2649   43.68248 887.2649   43.68248 ?          ?        297.5174 7.341165 ?        ?        ?         ?        
1 1 1 6  29 13 o 703.8557 16.84532 5052.417   237.1335 5052.417   237.1335 ?          ?        703.8557 16.84532 ?        ?        ?         ?        
1 1 1 6  29 14 o 219.6775 6.456110 484.4784   28.36525 484.4784   28.36525 ?          ?        219.6775 6.456110 ?        ?        ?         ?        
1 1 1 6  29 15 o 403.9500 10.95427 1660.502   88.49958 1660.502   88.49958 ?          ?        403.9500 10.95427 ?        ?        ?         ?        
1 1 1 6  29 16 o 217.7236 8.728827 481.0746   38.00943 481.0746   38.00943 ?          ?        217.7236 8.728827 ?        ?        ?         ?        
1 1 1 6  29 17 o 80.56876 13.37838 68.07660   21.55759 68.07660   21.55759 ?          ?        80.56876 13.37838 ?        ?        ?         ?        
1 1 1 6  29 18 o 39.54459 15.76548 10.77879   18.72106 10.77879   18.72106 ?          ?        39.54459 15.76548 ?        ?        ?         ?        
1 1 1 6  30 0  o 48.66247 21.06352 34.03830   20.99029 34.03830   20.99029 34.03830   20.99029 48.66247 21.06352 48.66247 21.06352 -0.000000 0.000000 
1 1 1 6  30 1  o 579.5438 9.299378 3368.090   107.7879 3368.090   107.7879 ?          ?        579.5438 9.299378 ?        ?        ?         ?        
1 1 1 6  30 2  o 65.61217 7.349387 43.11518   9.644185 43.11518   9.644185 ?          ?        65.61217 7.349387 ?        ?        ?         ?        
1 1 1 6  30 3  o 618.5620 12.47304 3843.491   154.3070 3843.491   154.3070 ?          ?        618.5620 12.47304 ?        ?        ?         ?        
1 1 1 6  30 4  o 126.4486 4.935092 159.9800   12.48071 159.9800   12.48071 ?          ?        126.4486 4.935092 ?        ?        ?         ?        
1 1 1 6  30 5  o 502.2759 14.23131 2531.882   142.9609 2531.882   142.9609 ?          ?        502.2759 14.23131 ?        ?        ?         ?        
1 1 1 6  30 6  o 718.2266 18.40395 5191.408   264.3641 5191.408   264.3641 ?          ?        718.2266 18.40395 ?        ?        ?         ?        
1 1 1 6  30 7  o 739.9703 18.85982 5515.339   279.1140 5515.339   279.1140 ?          ?        739.9703 18.85982 ?        ?        ?         ?        
1 1 1 6  30 8  o 452.3581 13.04270 2054.779   117.9994 2054.779   117.9994 ?          ?        452.3581 13.04270 ?        ?        ?         ?        
1 1 1 6  30 9  o 375.1266 8.544512 1410.320   64.10546 1410.320   64.10546 ?          ?        375.1266 8.544512 ?        ?        ?         ?        
1 1 1 6  30 10 o 21.57963 10.31692 -17.01915  12.48071 -17.01915  12.48071 ?          ?        21.57963 10.31692 ?        ?        ?         ?        
1 1 1 6  30 11 o 529.0584 11.84882 2813.265   125.3744 2813.265   125.3744 ?          ?        529.0584 11.84882 ?        ?        ?         ?        
1 1 1 6  30 12 o 101.2067 7.287032 102.6822   14.74993 102.6822   14.74993 ?          ?        101.2067 7.287032 ?        ?        ?         ?        
1 1 1 6  30 13 o 153.4150 6.286339 235.9989   19.28837 235.9989   19.28837 ?          ?        153.4150 6.286339 ?        ?        ?         ?        
1 1 1 6  30 14 o 124.8762 5.905822 156.5762   14.74993 156.5762   14.74993 ?          ?        124.8762 5.905822 ?        ?        ?         ?        
1 1 1 6  30 15 o 209.2027 6.237020 440.2286   26.09603 440.2286   26.09603 ?          ?        209.2027 6.237020 ?        ?        ?         ?        
1 1 1 6  30 16 o 119.8871 10.88359 147.4993   26.09603 147.4993   26.09603 ?          ?        119.8871 10.88359 ?        ?        ?         ?        
1 1 1 6  30 17 o 29.98059 13.96957 -16.45185  20.42298 -16.45185  20.42298 ?          ?        29.98059 13.96957 ?        ?        ?         ?        
1 1 1 6  30 18 o 43.36254 17.03368 14.74993   21.55759 14.74993   21.55759 ?          ?        43.36254 17.03368 ?        ?        ?         ?        
1 1 1 6  31 0  o 146.9734 6.199699 217.2778   18.15376 217.2778   18.15376 217.2778   18.15376 146.9734 6.199699 146.9734 6.199699 -0.000000 0.000000 
1 1 1 6  31 1  o 238.6387 6.418588 570.1415   30.63447 570.1415   30.63447 ?          ?        238.6387 6.418588 ?        ?        ?         ?        
1 1 1 6  31 2  o 166.6722 4.765203 277.9794   15.88454 277.9794   15.88454 ?          ?        166.6722 4.765203 ?        ?        ?         ?        
1 1 1 6  31 3  o 604.9548 12.14405 3673.300   146.9320 3673.300   146.9320 ?          ?        604.9548 12.14405 ?        ?        ?         ?        
1 1 1 6  31 4  o 245.3826 5.548608 602.4778   27.23064 602.4778   27.23064 ?          ?        245.3826 5.548608 ?        ?        ?         ?        
1 1 1 6  31 5  o 303.2232 6.828841 920.1687   41.41326 920.1687   41.41326 ?          ?        303.2232 6.828841 ?        ?        ?         ?        
1 1 1 6  31 6  o 732.2758 21.03351 5413.224   308.0466 5413.224   308.0466 ?          ?        732.2758 21.03351 ?        ?        ?         ?        
1 1 1 6  31 7  o 732.7151 21.02090 5416.061   308.0466 5416.061   308.0466 ?          ?        732.7151 21.02090 ?        ?        ?         ?        
1 1 1 6  31 8  o 327.5935 8.312326 1075.043   54.46128 1075.043   54.46128 ?          ?        327.5935 8.312326 ?        ?        ?         ?        
1 1 1 6  31 9  o 652.7979 15.38194 4291.662   200.8260 4291.662   200.8260 ?          ?        652.7979 15.38194 ?        ?        ?         ?        
1 1 1 6  31 10 o 174.4290 5.854239 304.6428   20.42298 304.6428   20.42298 ?          ?        174.4290 5.854239 ?        ?        ?         ?        
1 1 1 6  31 11 o 174.5920 5.686308 305.2101   19.85567 305.2101   19.85567 ?          ?        174.5920 5.686308 ?        ?        ?         ?        
1 1 1 6  31 12 o 154.9402 6.041383 240.5373   18.72106 240.5373   18.72106 ?          ?        154.9402 6.041383 ?        ?        ?         ?        
1 1 1 6  31 13 o 319.4069 7.814929 1024.553   49.92284 1024.553   49.92284 ?          ?        319.4069 7.814929 ?        ?        ?         ?        
1 1 1 6  31 14 o 127.7353 6.217758 163.9511   15.88454 163.9511   15.88454 ?          ?        127.7353 6.217758 ?        ?        ?         ?        
1 1 1 6  31 15 o 241.4999 6.459997 587.1606   31.20177 587.1606   31.20177 ?          ?        241.4999 6.459997 ?        ?        ?         ?        
1 1 1 6  31 16 o 271.8321 7.930480 749.4099   43.11518 749.4099   43.11518 ?          ?        271.8321 7.930480 ?        ?        ?         ?        
1 1 1 6  31 17 o 346.1794 15.24047 1277.004   105.5187 1277.004   105.5187 ?          ?        346.1794 15.24047 ?        ?        ?         ?        
1 1 1 6  32 0  o 322.9154 11.18520 1048.380   72.04772 1048.380   72.04772 1048.380   72.04772 322.9154 11.18520 322.9154 11.18520 -0.000000 0.000000 
1 1 1 6  32 1  o 469.2681 9.610869 2207.951   90.20149 2207.951   90.20149 ?          ?        469.2681 9.610869 ?        ?        ?         ?        
1 1 1 6  32 2  o 246.1674 5.530919 606.4490   27.23064 606.4490   27.23064 ?          ?        246.1674 5.530919 ?        ?        ?         ?        
1 1 1 6  32 3  o 436.7102 10.39234 1911.250   90.76879 1911.250   90.76879 ?          ?        436.7102 10.39234 ?        ?        ?         ?        
1 1 1 6  32 4  o 501.9792 10.90582 2525.074   109.4899 2525.074   109.4899 ?          ?        501.9792 10.90582 ?        ?        ?         ?        
1 1 1 6  32 5  o 863.3527 24.47680 7535.512   422.6422 7535.512   422.6422 ?          ?        863.3527 24.47680 ?        ?        ?         ?        
1 1 1 6  32 6  o 408.3899 11.94648 1672.982   97.57646 1672.982   97.57646 ?          ?        408.3899 11.94648 ?        ?        ?         ?        
1 1 1 6  32 7  o 958.5829 29.76836 9370.743   570.7088 9370.743   570.7088 ?          ?        958.5829 29.76836 ?        ?        ?         ?        
1 1 1 6  32 8  o 170.8549 5.644665 292.1620   19.28837 292.1620   19.28837 ?          ?        170.8549 5.644665 ?        ?        ?         ?        
1 1 1 6  32 9  o 230.4266 6.154941 531.5648   28.36525 531.5648   28.36525 ?          ?        230.4266 6.154941 ?        ?        ?         ?        
1 1 1 6  32 10 o 235.3733 6.266611 554.8243   29.49986 554.8243   29.49986 ?          ?        235.3733 6.266611 ?        ?        ?         ?        
1 1 1 6  32 11 o 93.04375 7.621482 86.79766   14.18262 86.79766   14.18262 ?          ?        93.04375 7.621482 ?        ?        ?         ?        
1 1 1 6  32 12 o 46.45440 13.71963 22.12490   13.61532 22.12490   13.61532 ?          ?        46.45440 13.71963 ?        ?        ?         ?        
1 1 1 6  32 13 o 39.94029 13.31868 15.31723   12.48071 15.31723   12.48071 ?          ?        39.94029 13.31868 ?        ?        ?         ?        
1 1 1 6  32 14 f 176.5602 6.104882 313.1523   21.55759 313.1523   21.55759 ?          ?        176.5602 6.104882 ?        ?        ?         ?        
1 1 1 6  32 15 o 301.0566 8.102834 916.1975   48.78823 916.1975   48.78823 ?          ?        301.0566 8.102834 ?        ?        ?         ?        
1 1 1 6  32 16 o 119.5204 7.357092 144.6628   17.58645 144.6628   17.58645 ?          ?        119.5204 7.357092 ?        ?        ?         ?        
1 1 1 6  32 17 o 86.54720 13.10972 78.85539   22.69220 78.85539   22.69220 ?          ?        86.54720 13.10972 ?        ?        ?         ?        
1 1 1 6  33 0  o 501.2476 14.57062 2525.074   145.7974 2525.074   145.7974 2525.074   145.7974 501.2476 14.57062 501.2476 14.57062 -0.000000 0.000000 
1 1 1 6  33 1  o 393.3733 9.374002 1550.444   73.74965 1550.444   73.74965 ?          ?        393.3733 9.374002 ?        ?        ?         ?        
1 1 1 6  33 2  o 409.6333 8.447946 1680.357   69.21120 1680.357   69.21120 ?          ?        409.6333 8.447946 ?        ?        ?         ?        
1 1 1 6  33 3  o 464.6656 9.400843 2162.567   87.36497 2162.567   87.36497 ?          ?        464.6656 9.400843 ?        ?        ?         ?        
1 1 1 6  33 4  o 126.2221 5.842847 159.4127   14.74993 159.4127   14.74993 ?          ?        126.2221 5.842847 ?        ?        ?         ?        
1 1 1 6  33 5  o 794.2465 20.21379 6362.893   321.0946 6362.893   321.0946 ?          ?        794.2465 20.21379 ?        ?        ?         ?        
1 1 1 6  33 6  o 337.1661 7.319171 1138.014   49.35553 1138.014   49.35553 ?          ?        337.1661 7.319171 ?        ?        ?         ?        
1 1 1 6  33 7  o 337.0880 9.087975 1138.581   61.26894 1138.581   61.26894 ?          ?        337.0880 9.087975 ?        ?        ?         ?        
1 1 1 6  33 8  o 498.4166 12.06507 2495.007   120.2687 2495.007   120.2687 ?          ?        498.4166 12.06507 ?        ?        ?         ?        
1 1 1 6  33 9  o 789.3002 20.12484 6309.565   317.6908 6309.565   317.6908 ?          ?        789.3002 20.12484 ?        ?        ?         ?        
1 1 1 6  33 10 o 404.4154 9.328473 1640.646   75.45156 1640.646   75.45156 ?          ?        404.4154 9.328473 ?        ?        ?         ?        
1 1 1 6  33 11 o 537.7328 12.02693 2910.842   129.3455 2910.842   129.3455 ?          ?        537.7328 12.02693 ?        ?        ?         ?        
1 1 1 6  33 12 f 203.3988 6.136078 414.6999   24.96142 414.6999   24.96142 ?          ?        203.3988 6.136078 ?        ?        ?         ?        
1 1 1 6  33 13 o 173.2445 6.385453 301.2389   22.12490 301.2389   22.12490 ?          ?        173.2445 6.385453 ?        ?        ?         ?        
1 1 1 6  33 14 o 220.0412 6.445439 486.7477   28.36525 486.7477   28.36525 ?          ?        220.0412 6.445439 ?        ?        ?         ?        
1 1 1 6  33 15 o 134.3172 6.124252 181.5376   16.45185 181.5376   16.45185 ?          ?        134.3172 6.124252 ?        ?        ?         ?        
1 1 1 6  33 16 o 172.8312 6.236602 301.8062   21.55759 301.8062   21.55759 ?          ?        172.8312 6.236602 ?        ?        ?         ?        
1 1 1 6  33 17 o 286.0087 10.21514 845.2844   58.43241 845.2844   58.43241 ?          ?        286.0087 10.21514 ?        ?        ?         ?        
1 1 1 6  34 0  o 438.7336 12.82539 1932.808   112.3264 1932.808   112.3264 1932.808   112.3264 438.7336 12.82539 438.7336 12.82539 -0.000000 0.000000 
1 1 1 6  34 1  o 915.3837 18.22052 8431.286   333.5753 8431.286   333.5753 ?          ?        915.3837 18.22052 ?        ?        ?         ?        
1 1 1 6  34 2  o 329.7194 6.968304 1088.091   45.95170 1088.091   45.95170 ?          ?        329.7194 6.968304 ?        ?        ?         ?        
1 1 1 6  34 3  o 953.1423 21.90315 9158.570   417.5364 9158.570   417.5364 ?          ?        953.1423 21.90315 ?        ?        ?         ?        
1 1 1 6  34 4  o 88.12431 6.437553 77.72078   11.34610 77.72078   11.34610 ?          ?        88.12431 6.437553 ?        ?        ?         ?        
1 1 1 6  34 5  o 273.3659 7.782221 748.2752   42.54787 748.2752   42.54787 ?          ?        273.3659 7.782221 ?        ?        ?         ?        
1 1 1 6  34 6  o 316.9860 10.11172 1006.966   64.10546 1006.966   64.10546 ?          ?        316.9860 10.11172 ?        ?        ?         ?        
1 1 1 6  34 7  o 592.3298 18.48461 3538.848   218.9797 3538.848   218.9797 ?          ?        592.3298 18.48461 ?        ?        ?         ?        
1 1 1 6  34 8  o 435.6255 14.39016 1909.549   125.3744 1909.549   125.3744 ?          ?        435.6255 14.39016 ?        ?        ?         ?        
1 1 1 6  34 9  o 674.1099 15.86344 4584.391   213.8740 4584.391   213.8740 ?          ?        674.1099 15.86344 ?        ?        ?         ?        
1 1 1 6  34 10 o 180.6448 6.123866 326.7676   22.12490 326.7676   22.12490 ?          ?        180.6448 6.123866 ?        ?        ?         ?        
1 1 1 6  34 11 o 363.5346 8.504864 1325.792   61.83624 1325.792   61.83624 ?          ?        363.5346 8.504864 ?        ?        ?         ?        
1 1 1 6  34 12 o 90.79982 8.122224 82.82652   14.74993 82.82652   14.74993 ?          ?        90.79982 8.122224 ?        ?        ?         ?        
1 1 1 6  34 13 o 225.1492 6.551179 508.8725   29.49986 508.8725   29.49986 ?          ?        225.1492 6.551179 ?        ?        ?         ?        
1 1 1 6  34 14 o 75.25470 9.046160 57.29780   13.61532 57.29780   13.61532 ?          ?        75.25470 9.046160 ?        ?        ?         ?        
1 1 1 6  34 15 o 67.19053 10.13187 45.95170   13.61532 45.95170   13.61532 ?          ?        67.19053 10.13187 ?        ?        ?         ?        
1 1 1 6  34 16 o 259.9935 6.982389 684.1698   36.30752 684.1698   36.30752 ?          ?        259.9935 6.982389 ?        ?        ?         ?        
1 1 1 6  34 17 o 124.1701 9.137543 158.2781   22.69220 158.2781   22.69220 ?          ?        124.1701 9.137543 ?        ?        ?         ?        
1 1 1 6  35 0  o 471.6805 13.67638 2234.047   128.7782 2234.047   128.7782 2234.047   128.7782 471.6805 13.67638 471.6805 13.67638 -0.000000 0.000000 
1 1 1 6  35 1  o 536.4026 10.78763 2883.044   115.7302 2883.044   115.7302 ?          ?        536.4026 10.78763 ?        ?        ?         ?        
1 1 1 6  35 2  o 155.0531 5.488166 240.5373   17.01915 240.5373   17.01915 ?          ?        155.0531 5.488166 ?        ?        ?         ?        
1 1 1 6  35 3  o 517.1959 12.17544 2682.218   125.9417 2682.218   125.9417 ?          ?        517.1959 12.17544 ?        ?        ?         ?        
1 1 1 6  35 4  o 163.4174 5.033688 267.2006   16.45185 267.2006   16.45185 ?          ?        163.4174 5.033688 ?        ?        ?         ?        
1 1 1 6  35 5  o 398.5499 10.46216 1591.858   83.39383 1591.858   83.39383 ?          ?        398.5499 10.46216 ?        ?        ?         ?        
1 1 1 6  35 6  o 238.0599 6.553346 567.3050   31.20177 567.3050   31.20177 ?          ?        238.0599 6.553346 ?        ?        ?         ?        
1 1 1 6  35 7  o 193.5256 6.742268 374.9886   26.09603 374.9886   26.09603 ?          ?        193.5256 6.742268 ?        ?        ?         ?        
1 1 1 6  35 8  o 357.7805 9.910144 1283.811   70.91312 1283.811   70.91312 ?          ?        357.7805 9.910144 ?        ?        ?         ?        
1 1 1 6  35 9  o 474.1524 11.54585 2259.576   109.4899 2259.576   109.4899 ?          ?        474.1524 11.54585 ?        ?        ?         ?        
1 1 1 6  35 10 o 287.0079 7.214655 825.4287   41.41326 825.4287   41.41326 ?          ?        287.0079 7.214655 ?        ?        ?         ?        
1 1 1 6  35 11 o 523.6699 12.62074 2765.044   132.1821 2765.044   132.1821 ?          ?        523.6699 12.62074 ?        ?        ?         ?        
1 1 1 6  35 12 o 351.4389 8.555447 1241.263   60.13433 1241.263   60.13433 ?          ?        351.4389 8.555447 ?        ?        ?         ?        
1 1 1 6  35 13 o 241.1146 6.705606 584.3241   32.33638 584.3241   32.33638 ?          ?        241.1146 6.705606 ?        ?        ?         ?        
1 1 1 6  35 14 o 200.4936 6.507945 404.4884   26.09603 404.4884   26.09603 ?          ?        200.4936 6.507945 ?        ?        ?         ?        
1 1 1 6  35 15 o 116.4831 7.792447 137.2878   18.15376 137.2878   18.15376 ?          ?        116.4831 7.792447 ?        ?        ?         ?        
1 1 1 6  35 16 o 205.9711 6.472592 428.8826   26.66333 428.8826   26.66333 ?          ?        205.9711 6.472592 ?        ?        ?         ?        
1 1 1 6  35 17 o 156.3448 5.987108 247.3450   18.72106 247.3450   18.72106 ?          ?        156.3448 5.987108 ?        ?        ?         ?        
1 1 1 6  36 0  o 588.6039 16.89750 3481.551   198.5567 3481.551   198.5567 3481.551   198.5567 588.6039 16.89750 588.6039 16.89750 -0.000000 0.000000 
1 1 1 6  36 1  o 678.3396 13.54829 4616.161   183.8068 4616.161   183.8068 ?          ?        678.3396 13.54829 ?        ?        ?         ?        
1 1 1 6  36 2  o 731.4808 14.69680 5372.377   215.0086 5372.377   215.0086 ?          ?        731.4808 14.69680 ?        ?        ?         ?        
1 1 1 6  36 3  o 874.0309 18.59578 7696.059   325.0657 7696.059   325.0657 ?          ?        874.0309 18.59578 ?        ?        ?         ?        
1 1 1 6  36 4  o 358.4154 8.705479 1286.648   62.40355 1286.648   62.40355 ?          ?        358.4154 8.705479 ?        ?        ?         ?        
1 1 1 6  36 5  o 621.7487 14.59895 3883.203   181.5376 3883.203   181.5376 ?          ?        621.7487 14.59895 ?        ?        ?         ?        
1 1 1 6  36 6  o 426.4939 13.50112 1827.289   115.1629 1827.289   115.1629 ?          ?        426.4939 13.50112 ?        ?        ?         ?        
1 1 1 6  36 7  o 279.3679 8.833430 782.3135   49.35553 782.3135   49.35553 ?          ?        279.3679 8.833430 ?        ?        ?         ?        
1 1 1 6  36 8  o 76.71648 8.873791 58.99971   13.61532 58.99971   13.61532 ?          ?        76.71648 8.873791 ?        ?        ?         ?        
1 1 1 6  36 9  o 306.4598 7.589741 941.1589   46.51900 941.1589   46.51900 ?          ?        306.4598 7.589741 ?        ?        ?         ?        
1 1 1 6  36 10 o 277.3063 8.489947 771.5348   47.08631 771.5348   47.08631 ?          ?        277.3063 8.489947 ?        ?        ?         ?        
1 1 1 6  36 11 o 252.2000 7.872987 638.2181   39.71135 638.2181   39.71135 ?          ?        252.2000 7.872987 ?        ?        ?         ?        
1 1 1 6  36 12 o 368.0891 8.861995 1362.667   65.24007 1362.667   65.24007 ?          ?        368.0891 8.861995 ?        ?        ?         ?        
1 1 1 6  36 13 o 252.4749 6.740927 641.0546   34.03830 641.0546   34.03830 ?          ?        252.4749 6.740927 ?        ?        ?         ?        
1 1 1 6  36 14 o 202.7021 6.437038 413.5653   26.09603 413.5653   26.09603 ?          ?        202.7021 6.437038 ?        ?        ?         ?        
1 1 1 6  36 15 o 133.4940 6.374498 179.8357   17.01915 179.8357   17.01915 ?          ?        133.4940 6.374498 ?        ?        ?         ?        
1 1 1 6  36 16 o 174.3779 6.343950 307.4793   22.12490 307.4793   22.12490 ?          ?        174.3779 6.343950 ?        ?        ?         ?        
1 1 1 6  36 17 o 115.9740 6.848320 136.7205   15.88454 136.7205   15.88454 ?          ?        115.9740 6.848320 ?        ?        ?         ?        
1 1 1 6  37 0  o 245.1891 8.234154 603.6125   40.27865 603.6125   40.27865 603.6125   40.27865 245.1891 8.234154 245.1891 8.234154 -0.000000 0.000000 
1 1 1 6  37 1  o 306.7364 6.658153 941.7263   40.84595 941.7263   40.84595 ?          ?        306.7364 6.658153 ?        ?        ?         ?        
1 1 1 6  37 2  o 103.7639 7.107449 107.7879   14.74993 107.7879   14.74993 ?          ?        103.7639 7.107449 ?        ?        ?         ?        
1 1 1 6  37 3  o 389.5709 8.154889 1519.810   63.53815 1519.810   63.53815 ?          ?        389.5709 8.154889 ?        ?        ?         ?        
1 1 1 6  37 4  o 556.4142 13.10151 3106.562   145.7974 3106.562   145.7974 ?          ?        556.4142 13.10151 ?        ?        ?         ?        
1 1 1 6  37 5  o 980.7418 24.67067 9759.349   483.9111 9759.349   483.9111 ?          ?        980.7418 24.67067 ?        ?        ?         ?        
1 1 1 6  37 6  o 34.61618 13.11397 8.509575   12.48071 8.509575   12.48071 ?          ?        34.61618 13.11397 ?        ?        ?         ?        
1 1 1 6  37 7  o 324.1288 10.50147 1054.053   68.07660 1054.053   68.07660 ?          ?        324.1288 10.50147 ?        ?        ?         ?        
1 1 1 6  37 8  o 462.5925 11.28251 2149.519   104.3841 2149.519   104.3841 ?          ?        462.5925 11.28251 ?        ?        ?         ?        
1 1 1 6  37 9  o 468.4648 10.59614 2203.413   99.27837 2203.413   99.27837 ?          ?        468.4648 10.59614 ?        ?        ?         ?        
1 1 1 6  37 10 o 283.5964 7.201424 806.1404   40.84595 806.1404   40.84595 ?          ?        283.5964 7.201424 ?        ?        ?         ?        
1 1 1 6  37 11 o 339.1737 8.028522 1155.033   54.46128 1155.033   54.46128 ?          ?        339.1737 8.028522 ?        ?        ?         ?        
1 1 1 6  37 12 o 254.6716 8.130718 652.4007   41.41326 652.4007   41.41326 ?          ?        254.6716 8.130718 ?        ?        ?         ?        
1 1 1 6  37 13 f 145.5899 7.208704 213.3067   20.99029 213.3067   20.99029 ?          ?        145.5899 7.208704 ?        ?        ?         ?        
1 1 1 6  37 14 o 169.6974 6.351772 289.8928   21.55759 289.8928   21.55759 ?          ?        169.6974 6.351772 ?        ?        ?         ?        
1 1 1 6  37 15 o 123.7942 6.873970 154.8743   17.01915 154.8743   17.01915 ?          ?        123.7942 6.873970 ?        ?        ?         ?        
1 1 1 6  37 16 o 162.6102 6.105300 267.2006   19.85567 267.2006   19.85567 ?          ?        162.6102 6.105300 ?        ?        ?         ?        
1 1 1 6  37 17 o 108.8090 6.777902 120.2687   14.74993 120.2687   14.74993 ?          ?        108.8090 6.777902 ?        ?        ?         ?        
1 1 1 6  38 0  o 736.2414 21.07392 5460.310   309.7485 5460.310   309.7485 5460.310   309.7485 736.2414 21.07392 736.2414 21.07392 -0.000000 0.000000 
1 1 1 6  38 1  o 712.8981 16.47250 5112.553   234.8643 5112.553   234.8643 ?          ?        712.8981 16.47250 ?        ?        ?         ?        
1 1 1 6  38 2  o 410.3672 8.571081 1686.598   70.34581 1686.598   70.34581 ?          ?        410.3672 8.571081 ?        ?        ?         ?        
1 1 1 6  38 3  o 304.3275 6.710855 926.9763   40.84595 926.9763   40.84595 ?          ?        304.3275 6.710855 ?        ?        ?         ?        
1 1 1 6  38 4  o 324.2424 8.135789 1052.918   52.75936 1052.918   52.75936 ?          ?        324.2424 8.135789 ?        ?        ?         ?        
1 1 1 6  38 5  o 445.7433 11.51809 1993.510   102.6822 1993.510   102.6822 ?          ?        445.7433 11.51809 ?        ?        ?         ?        
1 1 1 6  38 6  o 347.7083 9.544591 1212.331   66.37468 1212.331   66.37468 ?          ?        347.7083 9.544591 ?        ?        ?         ?        
1 1 1 6  38 7  o 178.4585 6.039944 318.8254   21.55759 318.8254   21.55759 ?          ?        178.4585 6.039944 ?        ?        ?         ?        
1 1 1 6  38 8  o 397.4884 10.63282 1586.752   84.52843 1586.752   84.52843 ?          ?        397.4884 10.63282 ?        ?        ?         ?        
1 1 1 6  38 9  o 425.4998 9.732853 1817.078   82.82652 1817.078   82.82652 ?          ?        425.4998 9.732853 ?        ?        ?         ?        
1 1 1 6  38 10 o 248.0637 6.746451 616.6605   33.47099 616.6605   33.47099 ?          ?        248.0637 6.746451 ?        ?        ?         ?        
1 1 1 6  38 11 o 115.7345 7.352667 134.4513   17.01915 134.4513   17.01915 ?          ?        115.7345 7.352667 ?        ?        ?         ?        
1 1 1 6  38 12 o 240.8482 7.066340 582.6222   34.03830 582.6222   34.03830 ?          ?        240.8482 7.066340 ?        ?        ?         ?        
1 1 1 6  38 13 o 151.9197 6.348214 232.0277   19.28837 232.0277   19.28837 ?          ?        151.9197 6.348214 ?        ?        ?         ?        
1 1 1 6  38 14 o 97.12254 9.929914 95.87454   19.28837 95.87454   19.28837 ?          ?        97.12254 9.929914 ?        ?        ?         ?        
1 1 1 6  38 15 o 151.7496 7.663780 233.7296   23.25950 233.7296   23.25950 ?          ?        151.7496 7.663780 ?        ?        ?         ?        
1 1 1 6  38 16 o 95.65807 8.599298 93.60532   16.45185 93.60532   16.45185 ?          ?        95.65807 8.599298 ?        ?        ?         ?        
1 1 1 6  39 0  o 14.49129 10.83981 -88.49958  25.52872 -88.49958  25.52872 -88.49958  25.52872 14.49129 10.83981 14.49129 10.83981 -0.000000 0.000000 
1 1 1 6  39 1  o 341.2633 7.231298 1165.812   49.35553 1165.812   49.35553 ?          ?        341.2633 7.231298 ?        ?        ?         ?        
1 1 1 6  39 2  o 365.3667 7.841136 1336.571   57.29780 1336.571   57.29780 ?          ?        365.3667 7.841136 ?        ?        ?         ?        
1 1 1 6  39 3  o 445.6765 10.56513 1991.240   94.17262 1991.240   94.17262 ?          ?        445.6765 10.56513 ?        ?        ?         ?        
1 1 1 6  39 4  f 609.2520 16.99349 3738.540   207.0663 3738.540   207.0663 ?          ?        609.2520 16.99349 ?        ?        ?         ?        
1 1 1 6  39 5  o 161.4684 5.797128 260.9603   18.72106 260.9603   18.72106 ?          ?        161.4684 5.797128 ?        ?        ?         ?        
1 1 1 6  39 6  o 687.7638 19.30159 4782.948   265.4987 4782.948   265.4987 ?          ?        687.7638 19.30159 ?        ?        ?         ?        
1 1 1 6  39 7  o 448.9600 14.53138 2029.817   130.4801 2029.817   130.4801 ?          ?        448.9600 14.53138 ?        ?        ?         ?        
1 1 1 6  39 8  o 399.6387 10.71756 1603.771   85.66305 1603.771   85.66305 ?          ?        399.6387 10.71756 ?        ?        ?         ?        
1 1 1 6  39 9  o 492.3121 13.02131 2442.248   128.2109 2442.248   128.2109 ?          ?        492.3121 13.02131 ?        ?        ?         ?        
1 1 1 6  39 10 o 653.3466 16.93197 4335.344   221.2489 4335.344   221.2489 ?          ?        653.3466 16.93197 ?        ?        ?         ?        
1 1 1 6  39 11 f 444.0368 10.15698 1985.568   90.20149 1985.568   90.20149 ?          ?        444.0368 10.15698 ?        ?        ?         ?        
1 1 1 6  39 12 o 215.4252 7.505246 466.8920   32.33638 466.8920   32.33638 ?          ?        215.4252 7.505246 ?        ?        ?         ?        
1 1 1 6  39 13 o 225.9611 7.280830 514.5456   32.90369 514.5456   32.90369 ?          ?        225.9611 7.280830 ?        ?        ?         ?        
1 1 1 6  39 14 o 157.0524 6.501964 248.4796   20.42298 248.4796   20.42298 ?          ?        157.0524 6.501964 ?        ?        ?         ?        
1 1 1 6  39 15 o 147.7517 6.527291 220.6816   19.28837 220.6816   19.28837 ?          ?        147.7517 6.527291 ?        ?        ?         ?        
1 1 1 6  39 16 o 51.81982 15.34882 29.49986   17.01915 29.49986   17.01915 ?          ?        51.81982 15.34882 ?        ?        ?         ?        
1 1 1 6  40 0  o 392.8798 11.71911 1549.877   91.90340 1549.877   91.90340 1549.877   91.90340 392.8798 11.71911 392.8798 11.71911 -0.000000 0.000000 
1 1 1 6  40 1  o 303.0078 6.740085 919.0341   40.84595 919.0341   40.84595 ?          ?        303.0078 6.740085 ?        ?        ?         ?        
1 1 1 6  40 2  o 1012.996 25.50921 10415.72   516.8148 10415.72   516.8148 ?          ?        1012.996 25.50921 ?        ?        ?         ?        
1 1 1 6  40 3  o 194.8783 5.822146 380.0943   22.69220 380.0943   22.69220 ?          ?        194.8783 5.822146 ?        ?        ?         ?        
1 1 1 6  40 4  o 588.7598 13.92343 3483.820   163.9511 3483.820   163.9511 ?          ?        588.7598 13.92343 ?        ?        ?         ?        
1 1 1 6  40 5  o 106.6515 9.042711 114.0283   19.28837 114.0283   19.28837 ?          ?        106.6515 9.042711 ?        ?        ?         ?        
1 1 1 6  40 6  o 307.3510 8.767497 946.8319   53.89397 946.8319   53.89397 ?          ?        307.3510 8.767497 ?        ?        ?         ?        
1 1 1 6  40 7  o 479.9603 13.65190 2319.710   131.0475 2319.710   131.0475 ?          ?        479.9603 13.65190 ?        ?        ?         ?        
1 1 1 6  40 8  o 391.7210 9.703189 1539.666   76.01886 1539.666   76.01886 ?          ?        391.7210 9.703189 ?        ?        ?         ?        
1 1 1 6  40 9  o 282.3915 7.232149 799.3326   40.84595 799.3326   40.84595 ?          ?        282.3915 7.232149 ?        ?        ?         ?        
1 1 1 6  40 10 o 596.4711 17.02473 3617.704   203.0952 3617.704   203.0952 ?          ?        596.4711 17.02473 ?        ?        ?         ?        
1 1 1 6  40 11 o 410.9519 9.594236 1700.780   78.85539 1700.780   78.85539 ?          ?        410.9519 9.594236 ?        ?        ?         ?        
1 1 1 6  40 12 o 136.0075 6.882363 186.0760   18.72106 186.0760   18.72106 ?          ?        136.0075 6.882363 ?        ?        ?         ?        
1 1 1 6  40 13 o 263.5770 7.102693 700.0543   37.44213 700.0543   37.44213 ?          ?        263.5770 7.102693 ?        ?        ?         ?        
1 1 1 6  40 14 f 225.7403 6.534026 513.9783   29.49986 513.9783   29.49986 ?          ?        225.7403 6.534026 ?        ?        ?         ?        
1 1 1 6  40 15 o 227.4309 6.610176 523.0552   30.06716 523.0552   30.06716 ?          ?        227.4309 6.610176 ?        ?        ?         ?        
1 1 1 6  40 16 o 70.22100 10.50251 51.05745   14.74993 51.05745   14.74993 ?          ?        70.22100 10.50251 ?        ?        ?         ?        
1 1 1 6  41 0  o 390.4039 12.52519 1531.723   97.57646 1531.723   97.57646 1531.723   97.57646 390.4039 12.52519 390.4039 12.52519 -0.000000 0.000000 
1 1 1 6  41 1  f 254.0623 6.587163 646.1603   33.47099 646.1603   33.47099 ?          ?        254.0623 6.587163 ?        ?        ?         ?        
1 1 1 6  41 2  o 239.9386 6.856688 576.3818   32.90369 576.3818   32.90369 ?          ?        239.9386 6.856688 ?        ?        ?         ?        
1 1 1 6  41 3  o 404.7426 9.250849 1641.781   74.88425 1641.781   74.88425 ?          ?        404.7426 9.250849 ?        ?        ?         ?        
1 1 1 6  41 4  o 147.1222 6.362421 216.7105   18.72106 216.7105   18.72106 ?          ?        147.1222 6.362421 ?        ?        ?         ?        
1 1 1 6  41 5  o 453.2921 11.82688 2063.288   107.2206 2063.288   107.2206 ?          ?        453.2921 11.82688 ?        ?        ?         ?        
1 1 1 6  41 6  o 906.9806 23.08049 8371.720   418.6711 8371.720   418.6711 ?          ?        906.9806 23.08049 ?        ?        ?         ?        
1 1 1 6  41 7  o 796.4092 25.10958 6490.536   399.9500 6490.536   399.9500 ?          ?        796.4092 25.10958 ?        ?        ?         ?        
1 1 1 6  41 8  o 199.4113 6.116531 398.2480   24.39412 398.2480   24.39412 ?          ?        199.4113 6.116531 ?        ?        ?         ?        
1 1 1 6  41 9  o 217.6823 6.645592 474.8342   28.93255 474.8342   28.93255 ?          ?        217.6823 6.645592 ?        ?        ?         ?        
1 1 1 6  41 10 o 521.9918 13.74812 2760.506   143.5282 2760.506   143.5282 ?          ?        521.9918 13.74812 ?        ?        ?         ?        
1 1 1 6  41 11 o 95.56905 8.310504 91.90340   15.88454 91.90340   15.88454 ?          ?        95.56905 8.310504 ?        ?        ?         ?        
1 1 1 6  41 12 o 289.2720 7.452360 842.4479   43.11518 842.4479   43.11518 ?          ?        289.2720 7.452360 ?        ?        ?         ?        
1 1 1 6  41 13 o 331.6591 8.124904 1111.918   53.89397 1111.918   53.89397 ?          ?        331.6591 8.124904 ?        ?        ?         ?        
1 1 1 6  41 14 o 201.1851 6.344585 408.4596   25.52872 408.4596   25.52872 ?          ?        201.1851 6.344585 ?        ?        ?         ?        
1 1 1 6  41 15 o 155.3065 6.392417 243.9411   19.85567 243.9411   19.85567 ?          ?        155.3065 6.392417 ?        ?        ?         ?        
1 1 1 6  41 16 o 348.0207 10.10656 1254.311   70.34581 1254.311   70.34581 ?          ?        348.0207 10.10656 ?        ?        ?         ?        
1 1 1 6  42 0  o 310.2792 11.00044 967.8223   68.07660 967.8223   68.07660 967.8223   68.07660 310.2792 11.00044 310.2792 11.00044 -0.000000 0.000000 
1 1 1 6  42 1  o 265.7159 6.725269 706.8619   35.74022 706.8619   35.74022 ?          ?        265.7159 6.725269 ?        ?        ?         ?        
1 1 1 6  42 2  o 200.8797 6.071822 403.9211   24.39412 403.9211   24.39412 ?          ?        200.8797 6.071822 ?        ?        ?         ?        
1 1 1 6  42 3  o 302.9162 7.303966 919.0341   44.24979 919.0341   44.24979 ?          ?        302.9162 7.303966 ?        ?        ?         ?        
1 1 1 6  42 4  o 282.3841 7.533687 798.7654   42.54787 798.7654   42.54787 ?          ?        282.3841 7.533687 ?        ?        ?         ?        
1 1 1 6  42 5  o 596.0971 15.17960 3578.560   180.9703 3578.560   180.9703 ?          ?        596.0971 15.17960 ?        ?        ?         ?        
1 1 1 6  42 6  o 567.9336 14.73367 3251.792   167.3549 3251.792   167.3549 ?          ?        567.9336 14.73367 ?        ?        ?         ?        
1 1 1 6  42 7  o 289.5788 7.346509 840.1787   42.54787 840.1787   42.54787 ?          ?        289.5788 7.346509 ?        ?        ?         ?        
1 1 1 6  42 8  o 123.5183 9.185766 153.1723   22.69220 153.1723   22.69220 ?          ?        123.5183 9.185766 ?        ?        ?         ?        
1 1 1 6  42 9  o 63.20533 14.25195 41.98057   17.58645 41.98057   17.58645 ?          ?        63.20533 14.25195 ?        ?        ?         ?        
1 1 1 6  42 10 o 39.07029 15.37312 9.076880   17.58645 9.076880   17.58645 ?          ?        39.07029 15.37312 ?        ?        ?         ?        
1 1 1 6  42 11 o 211.7144 6.297005 449.8729   26.66333 449.8729   26.66333 ?          ?        211.7144 6.297005 ?        ?        ?         ?        
1 1 1 6  42 12 o 319.6854 7.985578 1030.793   51.05745 1030.793   51.05745 ?          ?        319.6854 7.985578 ?        ?        ?         ?        
1 1 1 6  42 13 o 344.4639 8.563990 1200.984   58.99971 1200.984   58.99971 ?          ?        344.4639 8.563990 ?        ?        ?         ?        
1 1 1 6  42 14 o 73.70974 10.00541 55.59589   14.74993 55.59589   14.74993 ?          ?        73.70974 10.00541 ?        ?        ?         ?        
1 1 1 6  42 15 o 29.19776 12.98467 -4.538440  15.31723 -4.538440  15.31723 ?          ?        29.19776 12.98467 ?        ?        ?         ?        
1 1 1 6  42 16 o 168.2729 6.742678 287.6236   22.69220 287.6236   22.69220 ?          ?        168.2729 6.742678 ?        ?        ?         ?        
1 1 1 6  43 0  o 134.4195 10.68317 184.3741   28.36525 184.3741   28.36525 184.3741   28.36525 134.4195 10.68317 134.4195 10.68317 -0.000000 0.000000 
1 1 1 6  43 1  o 192.9578 6.027096 372.7193   23.25950 372.7193   23.25950 ?          ?        192.9578 6.027096 ?        ?        ?         ?        
1 1 1 6  43 2  o 304.8585 7.443520 930.9475   45.38440 930.9475   45.38440 ?          ?        304.8585 7.443520 ?        ?        ?         ?        
1 1 1 6  43 3  o 552.3940 12.99147 3066.850   143.5282 3066.850   143.5282 ?          ?        552.3940 12.99147 ?        ?        ?         ?        
1 1 1 6  43 4  o 558.6974 15.68803 3144.571   175.2972 3144.571   175.2972 ?          ?        558.6974 15.68803 ?        ?        ?         ?        
1 1 1 6  43 5  o 254.4367 6.800434 648.4296   34.60560 648.4296   34.60560 ?          ?        254.4367 6.800434 ?        ?        ?         ?        
1 1 1 6  43 6  o 258.1677 7.031770 667.7179   36.30752 667.7179   36.30752 ?          ?        258.1677 7.031770 ?        ?        ?         ?        
1 1 1 6  43 7  o 196.9696 6.480373 388.6039   25.52872 388.6039   25.52872 ?          ?        196.9696 6.480373 ?        ?        ?         ?        
1 1 1 6  43 8  o 685.2085 19.37357 4772.169   265.4987 4772.169   265.4987 ?          ?        685.2085 19.37357 ?        ?        ?         ?        
1 1 1 6  43 9  o 281.8893 7.949413 797.6307   44.81709 797.6307   44.81709 ?          ?        281.8893 7.949413 ?        ?        ?         ?        
1 1 1 6  43 10 f 267.5358 7.527712 718.7754   40.27865 718.7754   40.27865 ?          ?        267.5358 7.527712 ?        ?        ?         ?        
1 1 1 6  43 11 f 222.8621 6.491133 499.2284   28.93255 499.2284   28.93255 ?          ?        222.8621 6.491133 ?        ?        ?         ?        
1 1 1 6  43 12 o 288.6808 8.057170 841.3133   46.51900 841.3133   46.51900 ?          ?        288.6808 8.057170 ?        ?        ?         ?        
1 1 1 6  43 13 o 123.9753 6.635128 154.8743   16.45185 154.8743   16.45185 ?          ?        123.9753 6.635128 ?        ?        ?         ?        
1 1 1 6  43 14 o 178.9784 6.497852 323.9312   23.25950 323.9312   23.25950 ?          ?        178.9784 6.497852 ?        ?        ?         ?        
1 1 1 6  43 15 o 96.81921 8.496168 95.87454   16.45185 95.87454   16.45185 ?          ?        96.81921 8.496168 ?        ?        ?         ?        
1 1 1 6  44 0  o 217.2791 9.437799 475.4016   40.84595 475.4016   40.84595 475.4016   40.84595 217.2791 9.437799 217.2791 9.437799 -0.000000 0.000000 
1 1 1 6  44 1  o 138.3721 6.969745 191.7491   19.28837 191.7491   19.28837 ?          ?        138.3721 6.969745 ?        ?        ?         ?        
1 1 1 6  44 2  o 270.8476 7.016756 734.6599   38.00943 734.6599   38.00943 ?          ?        270.8476 7.016756 ?        ?        ?         ?        
1 1 1 6  44 3  o 495.8097 10.98431 2467.209   108.9226 2467.209   108.9226 ?          ?        495.8097 10.98431 ?        ?        ?         ?        
1 1 1 6  44 4  o 977.1581 24.76115 9745.165   483.9111 9745.165   483.9111 ?          ?        977.1581 24.76115 ?        ?        ?         ?        
1 1 1 6  44 5  o 207.7529 6.417080 432.2864   26.66333 432.2864   26.66333 ?          ?        207.7529 6.417080 ?        ?        ?         ?        
1 1 1 6  44 6  o 207.0843 6.300824 429.4498   26.09603 429.4498   26.09603 ?          ?        207.0843 6.300824 ?        ?        ?         ?        
1 1 1 6  44 7  o 203.4475 6.413454 414.6999   26.09603 414.6999   26.09603 ?          ?        203.4475 6.413454 ?        ?        ?         ?        
1 1 1 6  44 8  o 500.0779 11.34433 2517.699   113.4610 2517.699   113.4610 ?          ?        500.0779 11.34433 ?        ?        ?         ?        
1 1 1 6  44 9  o 315.0389 7.833244 996.7548   49.35553 996.7548   49.35553 ?          ?        315.0389 7.833244 ?        ?        ?         ?        
1 1 1 6  44 10 o 84.44138 10.74933 72.04772   18.15376 72.04772   18.15376 ?          ?        84.44138 10.74933 ?        ?        ?         ?        
1 1 1 6  44 11 o 196.7896 6.342160 389.1712   24.96142 389.1712   24.96142 ?          ?        196.7896 6.342160 ?        ?        ?         ?        
1 1 1 6  44 12 o 273.1421 7.269358 752.2464   39.71135 752.2464   39.71135 ?          ?        273.1421 7.269358 ?        ?        ?         ?        
1 1 1 6  44 13 o 153.8584 6.636940 238.8354   20.42298 238.8354   20.42298 ?          ?        153.8584 6.636940 ?        ?        ?         ?        
1 1 1 6  44 14 o 41.64545 14.70733 16.45185   15.31723 16.45185   15.31723 ?          ?        41.64545 14.70733 ?        ?        ?         ?        
1 1 1 6  44 15 o 74.06940 10.33978 56.73050   15.31723 56.73050   15.31723 ?          ?        74.06940 10.33978 ?        ?        ?         ?        
1 1 1 6  45 0  o 1027.168 31.76890 10739.08   651.2661 10739.08   651.2661 10739.08   651.2661 1027.168 31.76890 1027.168 31.76890 -0.000000 0.000000 
1 1 1 6  45 1  o 306.3401 7.500111 940.0243   45.95170 940.0243   45.95170 ?          ?        306.3401 7.500111 ?        ?        ?         ?        
1 1 1 6  45 2  o 178.1329 6.210222 317.6908   22.12490 317.6908   22.12490 ?          ?        178.1329 6.210222 ?        ?        ?         ?        
1 1 1 6  45 3  f 73.54809 13.62464 56.16319   19.28837 56.16319   19.28837 ?          ?        73.54809 13.62464 ?        ?        ?         ?        
1 1 1 6  45 4  o 341.5928 8.137744 1169.783   55.59589 1169.783   55.59589 ?          ?        341.5928 8.137744 ?        ?        ?         ?        
1 1 1 6  45 5  o 360.7532 8.491807 1304.801   61.26894 1304.801   61.26894 ?          ?        360.7532 8.491807 ?        ?        ?         ?        
1 1 1 6  45 6  o 268.8877 8.333794 725.0157   44.81709 725.0157   44.81709 ?          ?        268.8877 8.333794 ?        ?        ?         ?        
1 1 1 6  45 7  o 174.0529 6.518765 303.5081   22.69220 303.5081   22.69220 ?          ?        174.0529 6.518765 ?        ?        ?         ?        
1 1 1 6  45 8  o 438.2887 10.74322 1933.375   94.17262 1933.375   94.17262 ?          ?        438.2887 10.74322 ?        ?        ?         ?        
1 1 1 6  45 9  o 245.8904 7.613582 607.0163   37.44213 607.0163   37.44213 ?          ?        245.8904 7.613582 ?        ?        ?         ?        
1 1 1 6  45 10 o 349.4237 9.173027 1230.484   64.10546 1230.484   64.10546 ?          ?        349.4237 9.173027 ?        ?        ?         ?        
1 1 1 6  45 11 o 112.2257 8.340811 127.0763   18.72106 127.0763   18.72106 ?          ?        112.2257 8.340811 ?        ?        ?         ?        
1 1 1 6  45 12 o 470.6082 11.87390 2266.383   111.7591 2266.383   111.7591 ?          ?        470.6082 11.87390 ?        ?        ?         ?        
1 1 1 6  45 13 o 40.84266 14.92128 14.74993   15.88454 14.74993   15.88454 ?          ?        40.84266 14.92128 ?        ?        ?         ?        
1 1 1 6  45 14 o 123.8631 7.786168 156.0089   19.28837 156.0089   19.28837 ?          ?        123.8631 7.786168 ?        ?        ?         ?        
1 1 1 6  45 15 o 157.3632 6.669375 251.3161   20.99029 251.3161   20.99029 ?          ?        157.3632 6.669375 ?        ?        ?         ?        
1 1 1 6  46 0  o 399.4989 13.02377 1605.473   103.8168 1605.473   103.8168 1605.473   103.8168 399.4989 13.02377 399.4989 13.02377 -0.000000 0.000000 
1 1 1 6  46 1  o 454.7525 10.22952 2075.201   93.03801 2075.201   93.03801 ?          ?        454.7525 10.22952 ?        ?        ?         ?        
1 1 1 6  46 2  f 634.3091 14.89121 4055.096   188.9126 4055.096   188.9126 ?          ?        634.3091 14.89121 ?        ?        ?         ?        
1 1 1 6  46 3  o 64.97463 14.74165 44.24979   18.72106 44.24979   18.72106 ?          ?        64.97463 14.74165 ?        ?        ?         ?        
1 1 1 6  46 4  o 855.1835 21.65911 7437.935   370.4502 7437.935   370.4502 ?          ?        855.1835 21.65911 ?        ?        ?         ?        
1 1 1 6  46 5  o 223.4930 6.853564 500.3629   30.63447 500.3629   30.63447 ?          ?        223.4930 6.853564 ?        ?        ?         ?        
1 1 1 6  46 6  o 361.3865 10.91012 1313.311   78.85539 1313.311   78.85539 ?          ?        361.3865 10.91012 ?        ?        ?         ?        
1 1 1 6  46 7  o 198.0553 6.588067 393.1424   26.09603 393.1424   26.09603 ?          ?        198.0553 6.588067 ?        ?        ?         ?        
1 1 1 6  46 8  o 81.86122 10.39512 67.50929   17.01915 67.50929   17.01915 ?          ?        81.86122 10.39512 ?        ?        ?         ?        
1 1 1 6  46 9  o 68.97968 13.64420 49.92284   18.15376 49.92284   18.15376 ?          ?        68.97968 13.64420 ?        ?        ?         ?        
1 1 1 6  46 10 o 424.4542 9.890482 1823.318   83.96114 1823.318   83.96114 ?          ?        424.4542 9.890482 ?        ?        ?         ?        
1 1 1 6  46 11 o 104.2787 10.88056 110.6245   22.69220 110.6245   22.69220 ?          ?        104.2787 10.88056 ?        ?        ?         ?        
1 1 1 6  46 12 o 200.5169 6.648651 405.0558   26.66333 405.0558   26.66333 ?          ?        200.5169 6.648651 ?        ?        ?         ?        
1 1 1 6  46 13 o 64.93620 11.79212 44.81709   14.74993 44.81709   14.74993 ?          ?        64.93620 11.79212 ?        ?        ?         ?        
1 1 1 6  46 14 o 48.91360 15.52009 25.52872   17.01915 25.52872   17.01915 ?          ?        48.91360 15.52009 ?        ?        ?         ?        
1 1 1 6  46 15 o 59.86570 12.70400 39.14404   14.74993 39.14404   14.74993 ?          ?        59.86570 12.70400 ?        ?        ?         ?        
1 1 1 6  47 0  o 513.2239 16.28506 2654.987   166.7877 2654.987   166.7877 2654.987   166.7877 513.2239 16.28506 513.2239 16.28506 -0.000000 0.000000 
1 1 1 6  47 1  o 366.5512 8.589640 1347.349   62.97085 1347.349   62.97085 ?          ?        366.5512 8.589640 ?        ?        ?         ?        
1 1 1 6  47 2  o 390.0587 8.944616 1526.050   69.77851 1526.050   69.77851 ?          ?        390.0587 8.944616 ?        ?        ?         ?        
1 1 1 6  47 3  o 176.8160 6.737741 313.1523   23.82681 313.1523   23.82681 ?          ?        176.8160 6.737741 ?        ?        ?         ?        
1 1 1 6  47 4  o 279.9414 7.194122 785.1501   40.27865 785.1501   40.27865 ?          ?        279.9414 7.194122 ?        ?        ?         ?        
1 1 1 6  47 5  o 173.2250 6.713667 300.6716   23.25950 300.6716   23.25950 ?          ?        173.2250 6.713667 ?        ?        ?         ?        
1 1 1 6  47 6  o 344.8802 8.306915 1193.042   57.29780 1193.042   57.29780 ?          ?        344.8802 8.306915 ?        ?        ?         ?        
1 1 1 6  47 7  o 331.9666 8.288270 1106.245   55.02858 1106.245   55.02858 ?          ?        331.9666 8.288270 ?        ?        ?         ?        
1 1 1 6  47 8  f 236.2637 6.723226 559.9300   31.76908 559.9300   31.76908 ?          ?        236.2637 6.723226 ?        ?        ?         ?        
1 1 1 6  47 9  o 99.55843 9.117139 99.84568   18.15376 99.84568   18.15376 ?          ?        99.55843 9.117139 ?        ?        ?         ?        
1 1 1 6  47 10 o 38.44592 15.58764 6.807660   18.72106 6.807660   18.72106 ?          ?        38.44592 15.58764 ?        ?        ?         ?        
1 1 1 6  47 11 o 98.53859 8.347920 98.14376   16.45185 98.14376   16.45185 ?          ?        98.53859 8.347920 ?        ?        ?         ?        
1 1 1 6  47 12 o 147.6145 8.262775 220.6816   24.39412 220.6816   24.39412 ?          ?        147.6145 8.262775 ?        ?        ?         ?        
1 1 1 6  47 13 o 34.67833 13.92812 6.807660   14.74993 6.807660   14.74993 ?          ?        34.67833 13.92812 ?        ?        ?         ?        
1 1 1 6  47 14 o 194.9145 6.985279 385.7674   27.23064 385.7674   27.23064 ?          ?        194.9145 6.985279 ?        ?        ?         ?        
1 1 1 6  48 0  o 301.0592 10.67600 911.6590   64.10546 911.6590   64.10546 911.6590   64.10546 301.0592 10.67600 301.0592 10.67600 -0.000000 0.000000 
1 1 1 6  48 1  o 401.9681 9.244135 1620.790   74.31695 1620.790   74.31695 ?          ?        401.9681 9.244135 ?        ?        ?         ?        
1 1 1 6  48 2  o 90.18833 11.00790 81.69191   19.85567 81.69191   19.85567 ?          ?        90.18833 11.00790 ?        ?        ?         ?        
1 1 1 6  48 3  o 171.6034 6.942405 294.9986   23.82681 294.9986   23.82681 ?          ?        171.6034 6.942405 ?        ?        ?         ?        
1 1 1 6  48 4  o 694.3346 16.30012 4875.986   226.3547 4875.986   226.3547 ?          ?        694.3346 16.30012 ?        ?        ?         ?        
1 1 1 6  48 5  o 233.1284 6.813644 544.6128   31.76908 544.6128   31.76908 ?          ?        233.1284 6.813644 ?        ?        ?         ?        
1 1 1 6  48 6  o 198.1574 7.014108 393.7097   27.79794 393.7097   27.79794 ?          ?        198.1574 7.014108 ?        ?        ?         ?        
1 1 1 6  48 7  o 83.49020 11.55128 70.34581   19.28837 70.34581   19.28837 ?          ?        83.49020 11.55128 ?        ?        ?         ?        
1 1 1 6  48 8  o 396.9249 10.14768 1587.886   80.55730 1587.886   80.55730 ?          ?        396.9249 10.14768 ?        ?        ?         ?        
1 1 1 6  48 9  o 118.6912 7.886457 141.8262   18.72106 141.8262   18.72106 ?          ?        118.6912 7.886457 ?        ?        ?         ?        
1 1 1 6  48 10 o 475.5091 11.81117 2303.258   112.3264 2303.258   112.3264 ?          ?        475.5091 11.81117 ?        ?        ?         ?        
1 1 1 6  48 11 o 112.7350 7.296690 128.2109   16.45185 128.2109   16.45185 ?          ?        112.7350 7.296690 ?        ?        ?         ?        
1 1 1 6  48 12 o 237.3322 7.649091 570.7088   36.30752 570.7088   36.30752 ?          ?        237.3322 7.649091 ?        ?        ?         ?        
1 1 1 6  48 13 o 103.1182 8.527324 108.3553   17.58645 108.3553   17.58645 ?          ?        103.1182 8.527324 ?        ?        ?         ?        
1 1 1 6  48 14 o 97.97480 8.395958 98.14376   16.45185 98.14376   16.45185 ?          ?        97.97480 8.395958 ?        ?        ?         ?        
1 1 1 6  49 0  o 627.7722 19.69769 3980.212   246.7777 3980.212   246.7777 3980.212   246.7777 627.7722 19.69769 627.7722 19.69769 -0.000000 0.000000 
1 1 1 6  49 1  o 291.5014 7.589979 851.5248   44.24979 851.5248   44.24979 ?          ?        291.5014 7.589979 ?        ?        ?         ?        
1 1 1 6  49 2  o 331.9344 8.032711 1104.543   53.32666 1104.543   53.32666 ?          ?        331.9344 8.032711 ?        ?        ?         ?        
1 1 1 6  49 3  o 358.4309 9.179925 1289.484   65.80738 1289.484   65.80738 ?          ?        358.4309 9.179925 ?        ?        ?         ?        
1 1 1 6  49 4  o 662.7489 14.55179 4434.623   192.8837 4434.623   192.8837 ?          ?        662.7489 14.55179 ?        ?        ?         ?        
1 1 1 6  49 5  o 238.9365 7.241589 572.4106   34.60560 572.4106   34.60560 ?          ?        238.9365 7.241589 ?        ?        ?         ?        
1 1 1 6  49 6  o 199.5823 6.679783 399.3827   26.66333 399.3827   26.66333 ?          ?        199.5823 6.679783 ?        ?        ?         ?        
1 1 1 6  49 7  o 137.1862 7.443522 188.9126   20.42298 188.9126   20.42298 ?          ?        137.1862 7.443522 ?        ?        ?         ?        
1 1 1 6  49 8  o 196.3107 6.646613 386.9020   26.09603 386.9020   26.09603 ?          ?        196.3107 6.646613 ?        ?        ?         ?        
1 1 1 6  49 9  o 68.19070 14.19583 49.35553   18.72106 49.35553   18.72106 ?          ?        68.19070 14.19583 ?        ?        ?         ?        
1 1 1 6  49 10 o 229.0088 6.936213 528.1609   31.76908 528.1609   31.76908 ?          ?        229.0088 6.936213 ?        ?        ?         ?        
1 1 1 6  49 11 o 75.64130 11.24990 58.43241   17.01915 58.43241   17.01915 ?          ?        75.64130 11.24990 ?        ?        ?         ?        
1 1 1 6  49 12 o 212.3077 6.813826 455.5459   28.93255 455.5459   28.93255 ?          ?        212.3077 6.813826 ?        ?        ?         ?        
1 1 1 6  49 13 o 126.2675 8.761123 162.8165   22.12490 162.8165   22.12490 ?          ?        126.2675 8.761123 ?        ?        ?         ?        
1 1 1 6  49 14 o 91.11910 9.650256 85.66305   17.58645 85.66305   17.58645 ?          ?        91.11910 9.650256 ?        ?        ?         ?        
1 1 1 6  50 0  o 489.9660 15.72439 2420.690   153.7396 2420.690   153.7396 2420.690   153.7396 489.9660 15.72439 489.9660 15.72439 -0.000000 0.000000 
1 1 1 6  50 1  o 130.6754 8.682657 171.3261   22.69220 171.3261   22.69220 ?          ?        130.6754 8.682657 ?        ?        ?         ?        
1 1 1 6  50 2  o 129.7902 8.741875 169.0569   22.69220 169.0569   22.69220 ?          ?        129.7902 8.741875 ?        ?        ?         ?        
1 1 1 6  50 3  f 188.3895 7.076651 355.7002   26.66333 355.7002   26.66333 ?          ?        188.3895 7.076651 ?        ?        ?         ?        
1 1 1 6  50 4  o 962.4564 24.60889 9535.263   473.6996 9535.263   473.6996 ?          ?        962.4564 24.60889 ?        ?        ?         ?        
1 1 1 6  50 5  o 408.9142 10.05825 1681.492   82.25922 1681.492   82.25922 ?          ?        408.9142 10.05825 ?        ?        ?         ?        
1 1 1 6  50 6  f 275.0973 7.320801 759.6213   40.27865 759.6213   40.27865 ?          ?        275.0973 7.320801 ?        ?        ?         ?        
1 1 1 6  50 7  o 391.4226 9.275785 1542.502   72.61504 1542.502   72.61504 ?          ?        391.4226 9.275785 ?        ?        ?         ?        
1 1 1 6  50 8  o 398.5061 9.466802 1602.637   75.45156 1602.637   75.45156 ?          ?        398.5061 9.466802 ?        ?        ?         ?        
1 1 1 6  50 9  o 194.5600 6.706422 380.6616   26.09603 380.6616   26.09603 ?          ?        194.5600 6.706422 ?        ?        ?         ?        
1 1 1 6  50 10 f 228.1918 6.961046 524.7571   31.76908 524.7571   31.76908 ?          ?        228.1918 6.961046 ?        ?        ?         ?        
1 1 1 6  50 11 o 89.25392 9.851922 81.12460   17.58645 81.12460   17.58645 ?          ?        89.25392 9.851922 ?        ?        ?         ?        
1 1 1 6  50 12 o 150.0477 6.994538 228.0566   20.99029 228.0566   20.99029 ?          ?        150.0477 6.994538 ?        ?        ?         ?        
1 1 1 6  50 13 o 74.13348 11.86134 57.29780   17.58645 57.29780   17.58645 ?          ?        74.13348 11.86134 ?        ?        ?         ?        
1 1 1 6  50 14 o 226.1708 9.155308 526.4590   41.41326 526.4590   41.41326 ?          ?        226.1708 9.155308 ?        ?        ?         ?        
1 1 1 6  51 0  o 794.0070 24.88206 6411.113   394.2770 6411.113   394.2770 6411.113   394.2770 794.0070 24.88206 794.0070 24.88206 -0.000000 0.000000 
1 1 1 6  51 1  o 252.3478 7.081538 638.2181   35.74022 638.2181   35.74022 ?          ?        252.3478 7.081538 ?        ?        ?         ?        
1 1 1 6  51 2  o 176.9369 6.893451 313.7196   24.39412 313.7196   24.39412 ?          ?        176.9369 6.893451 ?        ?        ?         ?        
1 1 1 6  51 3  o 153.5740 7.757434 236.5662   23.82681 236.5662   23.82681 ?          ?        153.5740 7.757434 ?        ?        ?         ?        
1 1 1 6  51 4  o 75.15462 14.48151 58.99971   20.99029 58.99971   20.99029 ?          ?        75.15462 14.48151 ?        ?        ?         ?        
1 1 1 6  51 5  o 239.3230 6.992850 574.6800   33.47099 574.6800   33.47099 ?          ?        239.3230 6.992850 ?        ?        ?         ?        
1 1 1 6  51 6  o 652.8695 15.55404 4333.643   203.0952 4333.643   203.0952 ?          ?        652.8695 15.55404 ?        ?        ?         ?        
1 1 1 6  51 7  o 393.4768 9.299448 1560.089   73.18234 1560.089   73.18234 ?          ?        393.4768 9.299448 ?        ?        ?         ?        
1 1 1 6  51 8  o 359.2974 8.684107 1303.099   62.40355 1303.099   62.40355 ?          ?        359.2974 8.684107 ?        ?        ?         ?        
1 1 1 6  51 9  o 77.64203 10.59468 61.26894   16.45185 61.26894   16.45185 ?          ?        77.64203 10.59468 ?        ?        ?         ?        
1 1 1 6  51 10 o 56.39843 16.22587 34.03830   19.28837 34.03830   19.28837 ?          ?        56.39843 16.22587 ?        ?        ?         ?        
1 1 1 6  51 11 o 105.1518 8.362415 112.3264   17.58645 112.3264   17.58645 ?          ?        105.1518 8.362415 ?        ?        ?         ?        
1 1 1 6  51 12 o 184.2883 6.926301 343.7868   25.52872 343.7868   25.52872 ?          ?        184.2883 6.926301 ?        ?        ?         ?        
1 1 1 6  51 13 o 67.17737 12.70764 48.78823   16.45185 48.78823   16.45185 ?          ?        67.17737 12.70764 ?        ?        ?         ?        
1 1 1 6  52 0  o 340.3495 12.11810 1166.946   82.25922 1166.946   82.25922 1166.946   82.25922 340.3495 12.11810 340.3495 12.11810 -0.000000 0.000000 
1 1 1 6  52 1  o 199.6090 6.820996 399.3827   27.23064 399.3827   27.23064 ?          ?        199.6090 6.820996 ?        ?        ?         ?        
1 1 1 6  52 2  o 519.8912 11.73039 2723.064   121.9706 2723.064   121.9706 ?          ?        519.8912 11.73039 ?        ?        ?         ?        
1 1 1 6  52 3  o 168.4869 7.575878 284.7871   25.52872 284.7871   25.52872 ?          ?        168.4869 7.575878 ?        ?        ?         ?        
1 1 1 6  52 4  o 136.8707 8.911374 188.3452   24.39412 188.3452   24.39412 ?          ?        136.8707 8.911374 ?        ?        ?         ?        
1 1 1 6  52 5  o 144.9982 7.433744 211.0374   21.55759 211.0374   21.55759 ?          ?        144.9982 7.433744 ?        ?        ?         ?        
1 1 1 6  52 6  o 67.16324 14.35635 47.65361   18.72106 47.65361   18.72106 ?          ?        67.16324 14.35635 ?        ?        ?         ?        
1 1 1 6  52 7  o 39.21128 15.39066 9.644185   17.58645 9.644185   17.58645 ?          ?        39.21128 15.39066 ?        ?        ?         ?        
1 1 1 6  52 8  o 268.1411 7.404934 723.8811   39.71135 723.8811   39.71135 ?          ?        268.1411 7.404934 ?        ?        ?         ?        
1 1 1 6  52 9  o 51.19630 15.99480 27.23064   18.15376 27.23064   18.15376 ?          ?        51.19630 15.99480 ?        ?        ?         ?        
1 1 1 6  52 10 o 86.08649 10.21441 75.45156   17.58645 75.45156   17.58645 ?          ?        86.08649 10.21441 ?        ?        ?         ?        
1 1 1 6  52 11 o 68.44739 13.74508 50.49014   18.15376 50.49014   18.15376 ?          ?        68.44739 13.74508 ?        ?        ?         ?        
1 1 1 6  52 12 f 112.1545 8.346107 128.2109   18.72106 128.2109   18.72106 ?          ?        112.1545 8.346107 ?        ?        ?         ?        
1 1 1 6  52 13 o 163.3123 7.989607 272.3064   26.09603 272.3064   26.09603 ?          ?        163.3123 7.989607 ?        ?        ?         ?        
1 1 1 6  53 0  o 709.7930 22.38813 5122.764   317.1235 5122.764   317.1235 5122.764   317.1235 709.7930 22.38813 709.7930 22.38813 -0.000000 0.000000 
1 1 1 6  53 1  o 132.9824 8.532033 177.5665   22.69220 177.5665   22.69220 ?          ?        132.9824 8.532033 ?        ?        ?         ?        
1 1 1 6  53 2  o 293.5022 7.731525 864.5728   45.38440 864.5728   45.38440 ?          ?        293.5022 7.731525 ?        ?        ?         ?        
1 1 1 6  53 3  o 154.1927 8.094227 238.8354   24.96142 238.8354   24.96142 ?          ?        154.1927 8.094227 ?        ?        ?         ?        
1 1 1 6  53 4  o 637.3678 14.24120 4118.634   181.5376 4118.634   181.5376 ?          ?        637.3678 14.24120 ?        ?        ?         ?        
1 1 1 6  53 5  o 170.0204 7.674382 290.4601   26.09603 290.4601   26.09603 ?          ?        170.0204 7.674382 ?        ?        ?         ?        
1 1 1 6  53 6  o 372.3895 8.911996 1396.705   66.37468 1396.705   66.37468 ?          ?        372.3895 8.911996 ?        ?        ?         ?        
1 1 1 6  53 7  o 155.6497 7.471748 243.9411   23.25950 243.9411   23.25950 ?          ?        155.6497 7.471748 ?        ?        ?         ?        
1 1 1 6  53 8  o 410.9849 9.800520 1712.694   80.55730 1712.694   80.55730 ?          ?        410.9849 9.800520 ?        ?        ?         ?        
1 1 1 6  53 9  o 135.3922 7.332651 184.9414   19.85567 184.9414   19.85567 ?          ?        135.3922 7.332651 ?        ?        ?         ?        
1 1 1 6  53 10 o 262.1696 7.249014 694.9486   38.00943 694.9486   38.00943 ?          ?        262.1696 7.249014 ?        ?        ?         ?        
1 1 1 6  53 11 o 83.62988 10.85363 72.04772   18.15376 72.04772   18.15376 ?          ?        83.62988 10.85363 ?        ?        ?         ?        
1 1 1 6  53 12 o 47.14995 14.68447 23.82681   15.31723 23.82681   15.31723 ?          ?        47.14995 14.68447 ?        ?        ?         ?        
1 1 1 6  53 13 o 122.4209 8.573002 153.7396   20.99029 153.7396   20.99029 ?          ?        122.4209 8.573002 ?        ?        ?         ?        
1 1 1 6  54 0  o 60.75805 25.86997 53.32666   31.76908 53.32666   31.76908 53.32666   31.76908 60.75805 25.86997 60.75805 25.86997 -0.000000 0.000000 
1 1 1 6  54 1  o 354.3935 8.484119 1262.254   60.13433 1262.254   60.13433 ?          ?        354.3935 8.484119 ?        ?        ?         ?        
1 1 1 6  54 2  o 455.4725 10.52473 2090.519   95.87454 2090.519   95.87454 ?          ?        455.4725 10.52473 ?        ?        ?         ?        
1 1 1 6  54 3  o 259.9105 7.202888 677.9294   37.44213 677.9294   37.44213 ?          ?        259.9105 7.202888 ?        ?        ?         ?        
1 1 1 6  54 4  o 134.0997 8.883990 180.9703   23.82681 180.9703   23.82681 ?          ?        134.0997 8.883990 ?        ?        ?         ?        
1 1 1 6  54 5  o 243.0756 7.001588 593.4010   34.03830 593.4010   34.03830 ?          ?        243.0756 7.001588 ?        ?        ?         ?        
1 1 1 6  54 6  o 173.3326 7.200440 302.3735   24.96142 302.3735   24.96142 ?          ?        173.3326 7.200440 ?        ?        ?         ?        
1 1 1 6  54 7  o 307.1358 7.850098 950.8031   48.22092 950.8031   48.22092 ?          ?        307.1358 7.850098 ?        ?        ?         ?        
1 1 1 6  54 8  o 337.6875 8.399853 1152.764   56.73050 1152.764   56.73050 ?          ?        337.6875 8.399853 ?        ?        ?         ?        
1 1 1 6  54 9  o 217.1206 7.054713 475.4016   30.63447 475.4016   30.63447 ?          ?        217.1206 7.054713 ?        ?        ?         ?        
1 1 1 6  54 10 o 339.2321 9.197765 1172.619   62.40355 1172.619   62.40355 ?          ?        339.2321 9.197765 ?        ?        ?         ?        
1 1 1 6  54 11 o 82.79717 11.30538 70.91312   18.72106 70.91312   18.72106 ?          ?        82.79717 11.30538 ?        ?        ?         ?        
1 1 1 6  54 12 f 172.6812 7.063340 302.9409   24.39412 302.9409   24.39412 ?          ?        172.6812 7.063340 ?        ?        ?         ?        
1 1 1 6  55 0  o 391.1016 13.08691 1543.637   102.1149 1543.637   102.1149 1543.637   102.1149 391.1016 13.08691 391.1016 13.08691 -0.000000 0.000000 
1 1 1 6  55 1  o 174.5009 7.802435 305.7773   27.23064 305.7773   27.23064 ?          ?        174.5009 7.802435 ?        ?        ?         ?        
1 1 1 6  55 2  o 141.9529 8.392502 202.5279   23.82681 202.5279   23.82681 ?          ?        141.9529 8.392502 ?        ?        ?         ?        
1 1 1 6  55 3  o 264.1769 7.408680 701.1889   39.14404 701.1889   39.14404 ?          ?        264.1769 7.408680 ?        ?        ?         ?        
1 1 1 6  55 4  o 392.3065 9.182582 1550.444   72.04772 1550.444   72.04772 ?          ?        392.3065 9.182582 ?        ?        ?         ?        
1 1 1 6  55 5  o 48.38658 17.99912 19.28837   23.25950 19.28837   23.25950 ?          ?        48.38658 17.99912 ?        ?        ?         ?        
1 1 1 6  55 6  o 104.5022 10.31442 110.6245   21.55759 110.6245   21.55759 ?          ?        104.5022 10.31442 ?        ?        ?         ?        
1 1 1 6  55 7  o 64.06072 16.33076 44.24979   20.99029 44.24979   20.99029 ?          ?        64.06072 16.33076 ?        ?        ?         ?        
1 1 1 6  55 8  o 288.4214 7.769378 840.1787   44.81709 840.1787   44.81709 ?          ?        288.4214 7.769378 ?        ?        ?         ?        
1 1 1 6  55 9  o 43.63559 16.53790 15.31723   19.85567 15.31723   19.85567 ?          ?        43.63559 16.53790 ?        ?        ?         ?        
1 1 1 6  55 10 o 289.0119 7.753504 848.6883   44.81709 848.6883   44.81709 ?          ?        289.0119 7.753504 ?        ?        ?         ?        
1 1 1 6  55 11 o 132.6152 8.341762 179.2684   22.12490 179.2684   22.12490 ?          ?        132.6152 8.341762 ?        ?        ?         ?        
1 1 1 6  55 12 o 132.3609 8.357788 179.2684   22.12490 179.2684   22.12490 ?          ?        132.3609 8.357788 ?        ?        ?         ?        
1 1 1 6  56 0  o 297.8769 10.79132 895.2073   64.10546 895.2073   64.10546 895.2073   64.10546 297.8769 10.79132 297.8769 10.79132 -0.000000 0.000000 
1 1 1 6  56 1  f 205.6303 7.448918 424.9114   30.63447 424.9114   30.63447 ?          ?        205.6303 7.448918 ?        ?        ?         ?        
1 1 1 6  56 2  o 329.6456 8.174533 1093.197   53.89397 1093.197   53.89397 ?          ?        329.6456 8.174533 ?        ?        ?         ?        
1 1 1 6  56 3  o 100.2555 10.75133 101.5476   21.55759 101.5476   21.55759 ?          ?        100.2555 10.75133 ?        ?        ?         ?        
1 1 1 6  56 4  o 145.7222 7.786114 213.8740   22.69220 213.8740   22.69220 ?          ?        145.7222 7.786114 ?        ?        ?         ?        
1 1 1 6  56 5  o 178.7429 7.458572 321.6619   26.66333 321.6619   26.66333 ?          ?        178.7429 7.458572 ?        ?        ?         ?        
1 1 1 6  56 6  f 333.3026 9.020982 1123.831   60.13433 1123.831   60.13433 ?          ?        333.3026 9.020982 ?        ?        ?         ?        
1 1 1 6  56 7  o 45.25692 16.66796 17.58645   19.85567 17.58645   19.85567 ?          ?        45.25692 16.66796 ?        ?        ?         ?        
1 1 1 6  56 8  o 181.7189 7.024234 333.0080   25.52872 333.0080   25.52872 ?          ?        181.7189 7.024234 ?        ?        ?         ?        
1 1 1 6  56 9  o 40.23001 16.01393 10.21149   19.28837 10.21149   19.28837 ?          ?        40.23001 16.01393 ?        ?        ?         ?        
1 1 1 6  56 10 o 232.7605 7.068144 548.5839   32.90369 548.5839   32.90369 ?          ?        232.7605 7.068144 ?        ?        ?         ?        
1 1 1 6  56 11 o 184.3607 7.231297 345.4887   26.66333 345.4887   26.66333 ?          ?        184.3607 7.231297 ?        ?        ?         ?        
1 1 1 6  56 12 o 28.89491 13.26603 -10.77879  17.58645 -10.77879  17.58645 ?          ?        28.89491 13.26603 ?        ?        ?         ?        
1 1 1 6  57 0  o 307.0681 11.20991 951.9377   68.64390 951.9377   68.64390 951.9377   68.64390 307.0681 11.20991 307.0681 11.20991 -0.000000 0.000000 
1 1 1 6  57 1  o 147.6655 8.644108 219.5470   25.52872 219.5470   25.52872 ?          ?        147.6655 8.644108 ?        ?        ?         ?        
1 1 1 6  57 2  o 274.9456 7.324842 760.1886   40.27865 760.1886   40.27865 ?          ?        274.9456 7.324842 ?        ?        ?         ?        
1 1 1 6  57 3  o 146.0596 7.962336 215.0086   23.25950 215.0086   23.25950 ?          ?        146.0596 7.962336 ?        ?        ?         ?        
1 1 1 6  57 4  o 166.1556 7.511459 277.9794   24.96142 277.9794   24.96142 ?          ?        166.1556 7.511459 ?        ?        ?         ?        
1 1 1 6  57 5  o 36.04400 15.65891 -2.269220  20.99029 -2.269220  20.99029 ?          ?        36.04400 15.65891 ?        ?        ?         ?        
1 1 1 6  57 6  o 281.4724 7.658864 799.3326   43.11518 799.3326   43.11518 ?          ?        281.4724 7.658864 ?        ?        ?         ?        
1 1 1 6  57 7  o 80.46169 12.33859 66.37468   19.85567 66.37468   19.85567 ?          ?        80.46169 12.33859 ?        ?        ?         ?        
1 1 1 6  57 8  o 327.0043 8.761016 1086.389   57.29780 1086.389   57.29780 ?          ?        327.0043 8.761016 ?        ?        ?         ?        
1 1 1 6  57 9  o 31.41509 14.67173 -18.72106  22.69220 -18.72106  22.69220 ?          ?        31.41509 14.67173 ?        ?        ?         ?        
1 1 1 6  57 10 o 276.8964 7.580555 778.9097   41.98057 778.9097   41.98057 ?          ?        276.8964 7.580555 ?        ?        ?         ?        
1 1 1 6  57 11 o 87.34466 12.34053 79.99000   21.55759 79.99000   21.55759 ?          ?        87.34466 12.34053 ?        ?        ?         ?        
1 1 1 6  58 0  o 176.9408 10.82453 318.8254   38.00943 318.8254   38.00943 318.8254   38.00943 176.9408 10.82453 176.9408 10.82453 -0.000000 0.000000 
1 1 1 6  58 1  o 156.4131 8.342023 246.7777   26.09603 246.7777   26.09603 ?          ?        156.4131 8.342023 ?        ?        ?         ?        
1 1 1 6  58 2  o 587.3560 13.28061 3525.233   156.0089 3525.233   156.0089 ?          ?        587.3560 13.28061 ?        ?        ?         ?        
1 1 1 6  58 3  o 68.91572 16.96639 51.05745   23.25950 51.05745   23.25950 ?          ?        68.91572 16.96639 ?        ?        ?         ?        
1 1 1 6  58 4  o 151.4903 7.864134 231.4604   23.82681 231.4604   23.82681 ?          ?        151.4903 7.864134 ?        ?        ?         ?        
1 1 1 6  58 5  o 145.1968 7.814288 212.7394   22.69220 212.7394   22.69220 ?          ?        145.1968 7.814288 ?        ?        ?         ?        
1 1 1 6  58 6  o 300.4718 7.929797 912.2264   47.65361 912.2264   47.65361 ?          ?        300.4718 7.929797 ?        ?        ?         ?        
1 1 1 6  58 7  o 139.6380 8.328498 197.4221   23.25950 197.4221   23.25950 ?          ?        139.6380 8.328498 ?        ?        ?         ?        
1 1 1 6  58 8  o 80.99755 12.95736 68.07660   20.99029 68.07660   20.99029 ?          ?        80.99755 12.95736 ?        ?        ?         ?        
1 1 1 6  58 9  o 146.6429 7.930660 218.4124   23.25950 218.4124   23.25950 ?          ?        146.6429 7.930660 ?        ?        ?         ?        
1 1 1 6  58 10 o 217.3062 7.309749 479.9400   31.76908 479.9400   31.76908 ?          ?        217.3062 7.309749 ?        ?        ?         ?        
1 1 1 6  58 11 o 75.16341 12.45358 59.56702   18.72106 59.56702   18.72106 ?          ?        75.16341 12.45358 ?        ?        ?         ?        
1 1 1 6  59 0  o 155.6635 11.79646 248.4796   36.30752 248.4796   36.30752 248.4796   36.30752 155.6635 11.79646 155.6635 11.79646 -0.000000 0.000000 
1 1 1 6  59 1  o 150.3481 8.489870 228.0566   25.52872 228.0566   25.52872 ?          ?        150.3481 8.489870 ?        ?        ?         ?        
1 1 1 6  59 2  o 303.8105 8.122750 930.9475   49.35553 930.9475   49.35553 ?          ?        303.8105 8.122750 ?        ?        ?         ?        
1 1 1 6  59 3  o 138.3255 9.842958 194.0183   27.23064 194.0183   27.23064 ?          ?        138.3255 9.842958 ?        ?        ?         ?        
1 1 1 6  59 4  o 156.5953 7.607764 247.3450   23.82681 247.3450   23.82681 ?          ?        156.5953 7.607764 ?        ?        ?         ?        
1 1 1 6  59 5  o 163.7169 7.623346 270.6045   24.96142 270.6045   24.96142 ?          ?        163.7169 7.623346 ?        ?        ?         ?        
1 1 1 6  59 6  o 256.5061 7.519654 664.3141   38.57674 664.3141   38.57674 ?          ?        256.5061 7.519654 ?        ?        ?         ?        
1 1 1 6  59 7  o 205.0295 6.917359 424.9114   28.36525 424.9114   28.36525 ?          ?        205.0295 6.917359 ?        ?        ?         ?        
1 1 1 6  59 8  o 197.7587 7.601983 397.1135   30.06716 397.1135   30.06716 ?          ?        197.7587 7.601983 ?        ?        ?         ?        
1 1 1 6  59 9  o 80.83718 12.28128 68.07660   19.85567 68.07660   19.85567 ?          ?        80.83718 12.28128 ?        ?        ?         ?        
1 1 1 6  59 10 o 85.59437 11.93009 76.58617   20.42298 76.58617   20.42298 ?          ?        85.59437 11.93009 ?        ?        ?         ?        
1 1 1 6  60 0  o 176.3869 10.20242 316.5562   35.74022 316.5562   35.74022 316.5562   35.74022 176.3869 10.20242 176.3869 10.20242 -0.000000 0.000000 
1 1 1 6  60 1  o 145.6226 8.765371 214.4413   25.52872 214.4413   25.52872 ?          ?        145.6226 8.765371 ?        ?        ?         ?        
1 1 1 6  60 2  o 122.7634 9.242250 152.6050   22.69220 152.6050   22.69220 ?          ?        122.7634 9.242250 ?        ?        ?         ?        
1 1 1 6  60 3  o 309.2308 9.264570 968.9568   57.29780 968.9568   57.29780 ?          ?        309.2308 9.264570 ?        ?        ?         ?        
1 1 1 6  60 4  o 222.4988 7.139155 499.2284   31.76908 499.2284   31.76908 ?          ?        222.4988 7.139155 ?        ?        ?         ?        
1 1 1 6  60 5  o 95.78400 10.95709 93.60532   20.99029 93.60532   20.99029 ?          ?        95.78400 10.95709 ?        ?        ?         ?        
1 1 1 6  60 6  o 111.1321 9.699082 125.9417   21.55759 125.9417   21.55759 ?          ?        111.1321 9.699082 ?        ?        ?         ?        
1 1 1 6  60 7  o 54.43724 17.23216 31.76908   20.99029 31.76908   20.99029 ?          ?        54.43724 17.23216 ?        ?        ?         ?        
1 1 1 6  60 8  o 393.7604 9.580897 1587.319   75.45156 1587.319   75.45156 ?          ?        393.7604 9.580897 ?        ?        ?         ?        
1 1 1 6  60 9  o 39.80878 16.38039 7.942269   20.99029 7.942269   20.99029 ?          ?        39.80878 16.38039 ?        ?        ?         ?        
1 1 1 6  60 10 o 160.5826 7.772142 263.2295   24.96142 263.2295   24.96142 ?          ?        160.5826 7.772142 ?        ?        ?         ?        
1 1 1 6  61 0  o 172.7212 10.92890 304.6428   37.44213 304.6428   37.44213 304.6428   37.44213 172.7212 10.92890 172.7212 10.92890 -0.000000 0.000000 
1 1 1 6  61 1  o 281.7822 7.751109 801.6019   43.68248 801.6019   43.68248 ?          ?        281.7822 7.751109 ?        ?        ?         ?        
1 1 1 6  61 2  o 380.6172 9.315543 1469.320   70.91312 1469.320   70.91312 ?          ?        380.6172 9.315543 ?        ?        ?         ?        
1 1 1 6  61 3  o 293.3579 7.735329 869.1111   45.38440 869.1111   45.38440 ?          ?        293.3579 7.735329 ?        ?        ?         ?        
1 1 1 6  61 4  o 276.1064 7.602246 769.8329   41.98057 769.8329   41.98057 ?          ?        276.1064 7.602246 ?        ?        ?         ?        
1 1 1 6  61 5  o 142.6971 8.348733 206.4990   23.82681 206.4990   23.82681 ?          ?        142.6971 8.348733 ?        ?        ?         ?        
1 1 1 6  61 6  o 157.0087 8.129717 250.1815   25.52872 250.1815   25.52872 ?          ?        157.0087 8.129717 ?        ?        ?         ?        
1 1 1 6  61 7  o 86.50789 11.14833 77.15348   19.28837 77.15348   19.28837 ?          ?        86.50789 11.14833 ?        ?        ?         ?        
1 1 1 6  61 8  o 342.9951 8.683363 1200.984   59.56702 1200.984   59.56702 ?          ?        342.9951 8.683363 ?        ?        ?         ?        
1 1 1 6  61 9  o 28.27829 13.61325 -30.63447  22.69220 -30.63447  22.69220 ?          ?        28.27829 13.61325 ?        ?        ?         ?        
1 1 1 6  61 10 o 205.6931 7.446645 431.1518   30.63447 431.1518   30.63447 ?          ?        205.6931 7.446645 ?        ?        ?         ?        
1 1 1 6  62 0  f 67.09741 26.21734 64.10546   33.47099 64.10546   33.47099 64.10546   33.47099 67.09741 26.21734 67.09741 26.21734 -0.000000 0.000000 
1 1 1 6  62 1  o 59.77484 18.51445 38.00943   24.39412 38.00943   24.39412 ?          ?        59.77484 18.51445 ?        ?        ?         ?        
1 1 1 6  62 2  o 245.2548 7.401999 607.0163   36.30752 607.0163   36.30752 ?          ?        245.2548 7.401999 ?        ?        ?         ?        
1 1 1 6  62 3  o 257.3892 7.383650 668.8526   38.00943 668.8526   38.00943 ?          ?        257.3892 7.383650 ?        ?        ?         ?        
1 1 1 6  62 4  f 72.97544 14.50831 57.29780   20.42298 57.29780   20.42298 ?          ?        72.97544 14.50831 ?        ?        ?         ?        
1 1 1 6  62 5  o 98.82717 11.19373 100.4130   22.12490 100.4130   22.12490 ?          ?        98.82717 11.19373 ?        ?        ?         ?        
1 1 1 6  62 6  o 85.32398 12.96523 76.01886   22.12490 76.01886   22.12490 ?          ?        85.32398 12.96523 ?        ?        ?         ?        
1 1 1 6  62 7  o 192.2850 7.523353 375.5559   28.93255 375.5559   28.93255 ?          ?        192.2850 7.523353 ?        ?        ?         ?        
1 1 1 6  62 8  o 213.4975 7.307291 463.4882   31.20177 463.4882   31.20177 ?          ?        213.4975 7.307291 ?        ?        ?         ?        
1 1 1 6  62 9  o 71.87660 16.51703 58.43241   23.25950 58.43241   23.25950 ?          ?        71.87660 16.51703 ?        ?        ?         ?        
1 1 1 6  63 0  o 50.00202 25.67588 39.14404   32.33638 39.14404   32.33638 39.14404   32.33638 50.00202 25.67588 50.00202 25.67588 -0.000000 0.000000 
1 1 1 6  63 1  o 72.92517 17.98207 58.43241   26.09603 58.43241   26.09603 ?          ?        72.92517 17.98207 ?        ?        ?         ?        
1 1 1 6  63 2  o 100.2278 11.88633 103.2495   23.82681 103.2495   23.82681 ?          ?        100.2278 11.88633 ?        ?        ?         ?        
1 1 1 6  63 3  o 195.2630 7.699146 386.3347   30.06716 386.3347   30.06716 ?          ?        195.2630 7.699146 ?        ?        ?         ?        
1 1 1 6  63 4  o 90.89619 12.79454 85.66305   23.25950 85.66305   23.25950 ?          ?        90.89619 12.79454 ?        ?        ?         ?        
1 1 1 6  63 5  o 131.3297 9.287356 176.4319   24.39412 176.4319   24.39412 ?          ?        131.3297 9.287356 ?        ?        ?         ?        
1 1 1 6  63 6  o 165.0045 7.907672 276.8448   26.09603 276.8448   26.09603 ?          ?        165.0045 7.907672 ?        ?        ?         ?        
1 1 1 6  63 7  o 121.7443 10.01858 152.6050   24.39412 152.6050   24.39412 ?          ?        121.7443 10.01858 ?        ?        ?         ?        
1 1 1 6  63 8  o 85.36635 12.62651 76.58617   21.55759 76.58617   21.55759 ?          ?        85.36635 12.62651 ?        ?        ?         ?        
1 1 1 6  63 9  o 70.60876 15.29509 55.59589   20.99029 55.59589   20.99029 ?          ?        70.60876 15.29509 ?        ?        ?         ?        
1 1 1 6  64 0  o 21.39381 15.47440 -45.38440  30.63447 -45.38440  30.63447 -45.38440  30.63447 21.39381 15.47440 21.39381 15.47440 -0.000000 0.000000 
1 1 1 6  64 1  o 37.19662 16.55785 -6.807660  24.96142 -6.807660  24.96142 ?          ?        37.19662 16.55785 ?        ?        ?         ?        
1 1 1 6  64 2  o 95.46439 12.18229 94.17262   23.25950 94.17262   23.25950 ?          ?        95.46439 12.18229 ?        ?        ?         ?        
1 1 1 6  64 3  o 298.9956 8.158686 908.2553   48.78823 908.2553   48.78823 ?          ?        298.9956 8.158686 ?        ?        ?         ?        
1 1 1 6  64 4  o 157.6489 10.61568 255.8545   33.47099 255.8545   33.47099 ?          ?        157.6489 10.61568 ?        ?        ?         ?        
1 1 1 6  64 5  o 130.6161 9.555262 174.7299   24.96142 174.7299   24.96142 ?          ?        130.6161 9.555262 ?        ?        ?         ?        
1 1 1 6  64 6  o 63.55383 17.67003 45.38440   23.25950 45.38440   23.25950 ?          ?        63.55383 17.67003 ?        ?        ?         ?        
1 1 1 6  64 7  o 108.0054 11.29300 121.4033   24.39412 121.4033   24.39412 ?          ?        108.0054 11.29300 ?        ?        ?         ?        
1 1 1 6  64 8  o 69.19259 15.90197 53.89397   21.55759 53.89397   21.55759 ?          ?        69.19259 15.90197 ?        ?        ?         ?        
1 1 1 6  65 0  o 105.1084 15.44571 117.9994   31.20177 117.9994   31.20177 117.9994   31.20177 105.1084 15.44571 105.1084 15.44571 -0.000000 0.000000 
1 1 1 6  65 1  o 294.4054 7.996850 881.0246   47.08631 881.0246   47.08631 ?          ?        294.4054 7.996850 ?        ?        ?         ?        
1 1 1 6  65 2  o 46.01704 17.77359 17.01915   23.25950 17.01915   23.25950 ?          ?        46.01704 17.77359 ?        ?        ?         ?        
1 1 1 6  65 3  o 73.40760 16.61421 59.56702   23.82681 59.56702   23.82681 ?          ?        73.40760 16.61421 ?        ?        ?         ?        
1 1 1 6  65 4  o 116.4783 12.90677 141.8262   30.06716 141.8262   30.06716 ?          ?        116.4783 12.90677 ?        ?        ?         ?        
1 1 1 6  65 5  o 190.8197 7.878424 370.4502   30.06716 370.4502   30.06716 ?          ?        190.8197 7.878424 ?        ?        ?         ?        
1 1 1 6  65 6  o 142.4763 8.958939 208.2009   25.52872 208.2009   25.52872 ?          ?        142.4763 8.958939 ?        ?        ?         ?        
1 1 1 6  65 7  o 57.65569 17.03706 37.44213   20.99029 37.44213   20.99029 ?          ?        57.65569 17.03706 ?        ?        ?         ?        
1 1 1 6  66 0  o 137.2718 14.33002 199.1240   38.57674 199.1240   38.57674 199.1240   38.57674 137.2718 14.33002 137.2718 14.33002 -0.000000 0.000000 
1 1 1 6  66 1  o 250.7871 7.691133 638.2181   38.57674 638.2181   38.57674 ?          ?        250.7871 7.691133 ?        ?        ?         ?        
1 1 1 6  66 2  o 125.7486 9.925127 162.2492   24.96142 162.2492   24.96142 ?          ?        125.7486 9.925127 ?        ?        ?         ?        
1 1 1 6  66 3  o 194.7413 7.865426 385.7674   30.63447 385.7674   30.63447 ?          ?        194.7413 7.865426 ?        ?        ?         ?        
1 1 1 6  66 4  o 40.36847 16.31625 9.644185   20.42298 9.644185   20.42298 ?          ?        40.36847 16.31625 ?        ?        ?         ?        
1 1 1 6  66 5  o 99.92683 11.92213 104.3841   23.82681 104.3841   23.82681 ?          ?        99.92683 11.92213 ?        ?        ?         ?        
1 1 1 6  66 6  o 121.0624 10.07502 151.4704   24.39412 151.4704   24.39412 ?          ?        121.0624 10.07502 ?        ?        ?         ?        
1 1 1 6  66 7  o 41.69584 16.92980 10.77879   22.12490 10.77879   22.12490 ?          ?        41.69584 16.92980 ?        ?        ?         ?        
1 1 1 6  67 0  f 21.99132 16.06247 -65.80738  36.87482 -65.80738  36.87482 -65.80738  36.87482 21.99132 16.06247 21.99132 16.06247 -0.000000 0.000000 
1 1 1 6  67 1  o 172.6132 8.216421 303.5081   28.36525 303.5081   28.36525 ?          ?        172.6132 8.216421 ?        ?        ?         ?        
1 1 1 6  67 2  o 170.7006 8.474648 297.2678   28.93255 297.2678   28.93255 ?          ?        170.7006 8.474648 ?        ?        ?         ?        
1 1 1 6  67 3  o 266.9678 7.862478 726.1503   41.98057 726.1503   41.98057 ?          ?        266.9678 7.862478 ?        ?        ?         ?        
1 1 1 6  67 4  o 79.22829 15.22186 69.21120   23.25950 69.21120   23.25950 ?          ?        79.22829 15.22186 ?        ?        ?         ?        
1 1 1 6  67 5  f 133.3345 9.147714 182.6722   24.39412 182.6722   24.39412 ?          ?        133.3345 9.147714 ?        ?        ?         ?        
1 1 1 6  67 6  o 53.03600 18.38050 30.06716   23.82681 30.06716   23.82681 ?          ?        53.03600 18.38050 ?        ?        ?         ?        
1 1 1 6  68 0  o 169.5484 12.17140 298.4024   40.84595 298.4024   40.84595 298.4024   40.84595 169.5484 12.17140 169.5484 12.17140 -0.000000 0.000000 
1 1 1 6  68 1  o 138.9531 8.981960 197.9895   24.96142 197.9895   24.96142 ?          ?        138.9531 8.981960 ?        ?        ?         ?        
1 1 1 6  68 2  o 106.6659 12.76446 119.7014   27.23064 119.7014   27.23064 ?          ?        106.6659 12.76446 ?        ?        ?         ?        
1 1 1 6  68 3  o 43.41949 17.59300 11.91340   23.82681 11.91340   23.82681 ?          ?        43.41949 17.59300 ?        ?        ?         ?        
1 1 1 6  68 4  o 60.72452 18.19674 41.98057   23.82681 41.98057   23.82681 ?          ?        60.72452 18.19674 ?        ?        ?         ?        
1 1 1 6  68 5  o 41.33344 17.14769 8.509575   23.25950 8.509575   23.25950 ?          ?        41.33344 17.14769 ?        ?        ?         ?        
1 1 1 6  69 0  o 144.5419 13.77212 220.6816   39.14404 220.6816   39.14404 220.6816   39.14404 144.5419 13.77212 144.5419 13.77212 -0.000000 0.000000 
1 1 1 6  69 1  o 38.92868 16.89602 0.5673050  24.39412 0.5673050  24.39412 ?          ?        38.92868 16.89602 ?        ?        ?         ?        
1 1 1 6  69 2  o 42.34134 17.78765 7.374964   25.52872 7.374964   25.52872 ?          ?        42.34134 17.78765 ?        ?        ?         ?        
1 1 1 6  69 3  o 182.5649 8.079281 340.9503   29.49986 340.9503   29.49986 ?          ?        182.5649 8.079281 ?        ?        ?         ?        
1 1 1 6  69 4  o 52.04968 18.73516 27.79794   24.96142 27.79794   24.96142 ?          ?        52.04968 18.73516 ?        ?        ?         ?        
1 1 1 6  70 0  o 32.82334 21.66503 0.5673050  35.17290 0.5673050  35.17290 0.5673050  35.17290 32.82334 21.66503 32.82334 21.66503 -0.000000 0.000000 
1 1 1 6  70 1  o 229.3659 8.162096 538.3724   37.44213 538.3724   37.44213 ?          ?        229.3659 8.162096 ?        ?        ?         ?        
1 1 1 6  70 2  o 136.0461 10.21637 191.7491   27.79794 191.7491   27.79794 ?          ?        136.0461 10.21637 ?        ?        ?         ?        
1 1 1 7  0  1  o 555.4781 13.49874 3094.648   149.7685 3094.648   149.7685 3094.648   149.7685 555.4781 13.49874 555.4781 13.49874 -0.000000 0.000000 
1 1 1 7  0  2  o 170.9074 4.488002 292.7294   15.31723 292.7294   15.31723 292.7294   15.31723 170.9074 4.488002 170.9074 4.488002 -0.000000 0.000000 
1 1 1 7  0  3  o 192.3680 6.950103 371.5847   26.66333 371.5847   26.66333 371.5847   26.66333 192.3680 6.950103 192.3680 6.950103 -0.000000 0.000000 
1 1 1 7  0  4  o 260.8880 5.986926 681.9006   31.20177 681.9006   31.20177 681.9006   31.20177 260.8880 5.986926 260.8880 5.986926 -0.000000 0.000000 
1 1 1 7  0  5  o 561.7733 11.82688 3165.562   132.7494 3165.562   132.7494 3165.562   132.7494 561.7733 11.82688 561.7733 11.82688 -0.000000 0.000000 
1 1 1 7  0  6  o 204.5157 5.138901 419.2384   20.99029 419.2384   20.99029 419.2384   20.99029 204.5157 5.138901 204.5157 5.138901 -0.000000 0.000000 
1 1 1 7  0  7  o 151.9148 4.489885 231.4604   13.61532 231.4604   13.61532 231.4604   13.61532 151.9148 4.489885 151.9148 4.489885 -0.000000 0.000000 
1 1 1 7  0  8  o 92.75172 4.922373 86.79766   9.076880 86.79766   9.076880 86.79766   9.076880 92.75172 4.922373 92.75172 4.922373 -0.000000 0.000000 
1 1 1 7  0  9  o 716.8868 20.29436 5180.629   290.4601 5180.629   290.4601 5180.629   290.4601 716.8868 20.29436 716.8868 20.29436 -0.000000 0.000000 
1 1 1 7  0  10 o 38.07660 13.82334 19.28837   9.644185 19.28837   9.644185 19.28837   9.644185 38.07660 13.82334 38.07660 13.82334 -0.000000 0.000000 
1 1 1 7  0  11 o 378.6579 11.10776 1439.253   83.96114 1439.253   83.96114 1439.253   83.96114 378.6579 11.10776 378.6579 11.10776 -0.000000 0.000000 
1 1 1 7  0  12 o 49.45838 14.53814 30.06716   12.48071 30.06716   12.48071 30.06716   12.48071 49.45838 14.53814 49.45838 14.53814 -0.000000 0.000000 
1 1 1 7  0  13 o 406.1983 15.19971 1663.338   123.1052 1663.338   123.1052 1663.338   123.1052 406.1983 15.19971 406.1983 15.19971 -0.000000 0.000000 
1 1 1 7  0  14 o 363.5614 11.88702 1329.763   86.23035 1329.763   86.23035 1329.763   86.23035 363.5614 11.88702 363.5614 11.88702 -0.000000 0.000000 
1 1 1 7  0  15 o 416.7031 13.64626 1751.271   113.4610 1751.271   113.4610 1751.271   113.4610 416.7031 13.64626 416.7031 13.64626 -0.000000 0.000000 
1 1 1 7  0  16 o 188.7606 8.603806 359.6714   32.33638 359.6714   32.33638 359.6714   32.33638 188.7606 8.603806 188.7606 8.603806 -0.000000 0.000000 
1 1 1 7  0  17 o 171.6008 10.49498 300.1043   35.74022 300.1043   35.74022 300.1043   35.74022 171.6008 10.49498 171.6008 10.49498 -0.000000 0.000000 
1 1 1 7  0  18 o 41.29317 19.81073 26.09603   18.72106 26.09603   18.72106 26.09603   18.72106 41.29317 19.81073 41.29317 19.81073 -0.000000 0.000000 
1 1 1 7  0  19 f 37.73020 19.26845 22.12490   18.15376 22.12490   18.15376 22.12490   18.15376 37.73020 19.26845 37.73020 19.26845 -0.000000 0.000000 
1 1 1 7  1  0  o 279.1567 7.327132 781.1789   40.84595 781.1789   40.84595 781.1789   40.84595 279.1567 7.327132 279.1567 7.327132 -0.000000 0.000000 
1 1 1 7  1  1  f 528.1969 9.021941 2792.842   95.30723 2792.842   95.30723 ?          ?        528.1969 9.021941 ?        ?        ?         ?        
1 1 1 7  1  2  o 145.6536 3.115913 212.1721   9.076880 212.1721   9.076880 ?          ?        145.6536 3.115913 ?        ?        ?         ?        
1 1 1 7  1  3  o 823.4979 12.02125 6790.640   197.9895 6790.640   197.9895 ?          ?        823.4979 12.02125 ?        ?        ?         ?        
1 1 1 7  1  4  o 204.4333 4.995022 418.1037   20.42298 418.1037   20.42298 ?          ?        204.4333 4.995022 ?        ?        ?         ?        
1 1 1 7  1  5  o 285.7440 4.566331 816.9191   26.09603 816.9191   26.09603 ?          ?        285.7440 4.566331 ?        ?        ?         ?        
1 1 1 7  1  6  o 300.5094 4.719527 903.7169   28.36525 903.7169   28.36525 ?          ?        300.5094 4.719527 ?        ?        ?         ?        
1 1 1 7  1  7  o 221.8527 3.835687 492.4207   17.01915 492.4207   17.01915 ?          ?        221.8527 3.835687 ?        ?        ?         ?        
1 1 1 7  1  8  o 160.6277 3.178621 258.1238   10.21149 258.1238   10.21149 ?          ?        160.6277 3.178621 ?        ?        ?         ?        
1 1 1 7  1  9  o 864.4788 17.19347 7533.810   297.2678 7533.810   297.2678 ?          ?        864.4788 17.19347 ?        ?        ?         ?        
1 1 1 7  1  10 o 341.1288 7.067848 1164.677   48.22092 1164.677   48.22092 ?          ?        341.1288 7.067848 ?        ?        ?         ?        
1 1 1 7  1  11 o 751.2424 14.95208 5668.511   224.6528 5668.511   224.6528 ?          ?        751.2424 14.95208 ?        ?        ?         ?        
1 1 1 7  1  12 o 119.5255 4.983624 142.9609   11.91340 142.9609   11.91340 ?          ?        119.5255 4.983624 ?        ?        ?         ?        
1 1 1 7  1  13 o 614.3878 13.48115 3798.106   165.6530 3798.106   165.6530 ?          ?        614.3878 13.48115 ?        ?        ?         ?        
1 1 1 7  1  14 o 156.8045 5.788661 246.2104   18.15376 246.2104   18.15376 ?          ?        156.8045 5.788661 ?        ?        ?         ?        
1 1 1 7  1  15 o 391.6042 9.054182 1540.800   70.91312 1540.800   70.91312 ?          ?        391.6042 9.054182 ?        ?        ?         ?        
1 1 1 7  1  16 o 221.5381 6.145814 492.4207   27.23064 492.4207   27.23064 ?          ?        221.5381 6.145814 ?        ?        ?         ?        
1 1 1 7  1  17 o 119.4161 6.650919 143.5282   15.88454 143.5282   15.88454 ?          ?        119.4161 6.650919 ?        ?        ?         ?        
1 1 1 7  1  18 f 101.2616 7.563200 103.8168   15.31723 103.8168   15.31723 ?          ?        101.2616 7.563200 ?        ?        ?         ?        
1 1 1 7  1  19 o 74.38763 9.532919 56.73050   14.18262 56.73050   14.18262 ?          ?        74.38763 9.532919 ?        ?        ?         ?        
1 1 1 7  2  0  o 366.0976 8.066637 1342.811   58.99971 1342.811   58.99971 1342.811   58.99971 366.0976 8.066637 366.0976 8.066637 -0.000000 0.000000 
1 1 1 7  2  1  o 410.2196 6.707211 1683.761   55.02858 1683.761   55.02858 ?          ?        410.2196 6.707211 ?        ?        ?         ?        
1 1 1 7  2  2  o 261.9665 4.872517 686.4390   25.52872 686.4390   25.52872 ?          ?        261.9665 4.872517 ?        ?        ?         ?        
1 1 1 7  2  3  o 356.6488 6.362618 1272.465   45.38440 1272.465   45.38440 ?          ?        356.6488 6.362618 ?        ?        ?         ?        
1 1 1 7  2  4  o 178.3807 3.339319 318.2581   11.91340 318.2581   11.91340 ?          ?        178.3807 3.339319 ?        ?        ?         ?        
1 1 1 7  2  5  f 632.0391 9.379701 4003.471   118.5667 4003.471   118.5667 ?          ?        632.0391 9.379701 ?        ?        ?         ?        
1 1 1 7  2  6  o 226.5334 3.756432 513.4110   17.01915 513.4110   17.01915 ?          ?        226.5334 3.756432 ?        ?        ?         ?        
1 1 1 7  2  7  o 105.1603 3.236800 110.6245   6.807660 110.6245   6.807660 ?          ?        105.1603 3.236800 ?        ?        ?         ?        
1 1 1 7  2  8  o 83.50866 3.736352 69.77851   6.240355 69.77851   6.240355 ?          ?        83.50866 3.736352 ?        ?        ?         ?        
1 1 1 7  2  9  f 501.6997 10.06382 2523.940   100.9803 2523.940   100.9803 ?          ?        501.6997 10.06382 ?        ?        ?         ?        
1 1 1 7  2  10 o 69.83443 4.874143 48.78823   6.807660 48.78823   6.807660 ?          ?        69.83443 4.874143 ?        ?        ?         ?        
1 1 1 7  2  11 o 660.1895 13.14739 4373.354   173.5953 4373.354   173.5953 ?          ?        660.1895 13.14739 ?        ?        ?         ?        
1 1 1 7  2  12 o 299.2587 7.393234 896.9091   44.24979 896.9091   44.24979 ?          ?        299.2587 7.393234 ?        ?        ?         ?        
1 1 1 7  2  13 o 630.0885 13.82049 3996.096   174.1626 3996.096   174.1626 ?          ?        630.0885 13.82049 ?        ?        ?         ?        
1 1 1 7  2  14 o 522.2602 12.38325 2744.621   129.3455 2744.621   129.3455 ?          ?        522.2602 12.38325 ?        ?        ?         ?        
1 1 1 7  2  15 o 295.1183 7.304729 873.6497   43.11518 873.6497   43.11518 ?          ?        295.1183 7.304729 ?        ?        ?         ?        
1 1 1 7  2  16 o 307.1736 8.587874 949.6685   52.75936 949.6685   52.75936 ?          ?        307.1736 8.587874 ?        ?        ?         ?        
1 1 1 7  2  17 o 78.92411 8.625577 62.97085   13.61532 62.97085   13.61532 ?          ?        78.92411 8.625577 ?        ?        ?         ?        
1 1 1 7  2  18 o 77.67662 8.398932 61.26894   13.04801 61.26894   13.04801 ?          ?        77.67662 8.398932 ?        ?        ?         ?        
1 1 1 7  2  19 o 175.7237 6.133945 312.0177   21.55759 312.0177   21.55759 ?          ?        175.7237 6.133945 ?        ?        ?         ?        
1 1 1 7  3  0  o 275.5675 6.286243 760.7560   34.60560 760.7560   34.60560 760.7560   34.60560 275.5675 6.286243 275.5675 6.286243 -0.000000 0.000000 
1 1 1 7  3  1  o 1100.392 15.90465 12146.57   350.0272 12146.57   350.0272 ?          ?        1100.392 15.90465 ?        ?        ?         ?        
1 1 1 7  3  2  o 230.7841 3.933061 532.6994   18.15376 532.6994   18.15376 ?          ?        230.7841 3.933061 ?        ?        ?         ?        
1 1 1 7  3  3  o 752.0291 11.76811 5662.838   176.9992 5662.838   176.9992 ?          ?        752.0291 11.76811 ?        ?        ?         ?        
1 1 1 7  3  4  o 391.0505 8.341642 1531.156   65.24007 1531.156   65.24007 ?          ?        391.0505 8.341642 ?        ?        ?         ?        
1 1 1 7  3  5  o 718.4090 10.58156 5175.523   152.0377 5175.523   152.0377 ?          ?        718.4090 10.58156 ?        ?        ?         ?        
1 1 1 7  3  6  o 135.7654 2.924998 184.3741   7.942269 184.3741   7.942269 ?          ?        135.7654 2.924998 ?        ?        ?         ?        
1 1 1 7  3  7  o 582.7729 8.615105 3404.397   100.4130 3404.397   100.4130 ?          ?        582.7729 8.615105 ?        ?        ?         ?        
1 1 1 7  3  8  o 71.42548 4.368437 51.05745   6.240355 51.05745   6.240355 ?          ?        71.42548 4.368437 ?        ?        ?         ?        
1 1 1 7  3  9  o 428.9442 10.05147 1844.876   86.23035 1844.876   86.23035 ?          ?        428.9442 10.05147 ?        ?        ?         ?        
1 1 1 7  3  10 o 349.2525 7.147098 1220.840   49.92284 1220.840   49.92284 ?          ?        349.2525 7.147098 ?        ?        ?         ?        
1 1 1 7  3  11 o 569.0090 11.46556 3246.119   130.4801 3246.119   130.4801 ?          ?        569.0090 11.46556 ?        ?        ?         ?        
1 1 1 7  3  12 o 294.0146 7.235674 865.7074   42.54787 865.7074   42.54787 ?          ?        294.0146 7.235674 ?        ?        ?         ?        
1 1 1 7  3  13 o 542.2274 12.81655 2956.793   138.9897 2956.793   138.9897 ?          ?        542.2274 12.81655 ?        ?        ?         ?        
1 1 1 7  3  14 o 150.5334 5.841380 226.9220   17.58645 226.9220   17.58645 ?          ?        150.5334 5.841380 ?        ?        ?         ?        
1 1 1 7  3  15 o 185.1788 6.586638 343.7868   24.39412 343.7868   24.39412 ?          ?        185.1788 6.586638 ?        ?        ?         ?        
1 1 1 7  3  16 f 124.0279 5.946213 154.3070   14.74993 154.3070   14.74993 ?          ?        124.0279 5.946213 ?        ?        ?         ?        
1 1 1 7  3  17 o 251.5029 6.992545 637.0835   35.17290 637.0835   35.17290 ?          ?        251.5029 6.992545 ?        ?        ?         ?        
1 1 1 7  3  18 o 36.29585 12.95521 11.91340   11.91340 11.91340   11.91340 ?          ?        36.29585 12.95521 ?        ?        ?         ?        
1 1 1 7  3  19 o 113.9539 6.969720 131.6148   15.88454 131.6148   15.88454 ?          ?        113.9539 6.969720 ?        ?        ?         ?        
1 1 1 7  4  0  o 470.9325 9.948181 2222.134   93.60532 2222.134   93.60532 2222.134   93.60532 470.9325 9.948181 470.9325 9.948181 -0.000000 0.000000 
1 1 1 7  4  1  o 458.0839 6.873289 2099.596   62.97085 2099.596   62.97085 ?          ?        458.0839 6.873289 ?        ?        ?         ?        
1 1 1 7  4  2  o 239.1138 3.914677 571.8434   18.72106 571.8434   18.72106 ?          ?        239.1138 3.914677 ?        ?        ?         ?        
1 1 1 7  4  3  o 576.9865 9.143950 3331.782   105.5187 3331.782   105.5187 ?          ?        576.9865 9.143950 ?        ?        ?         ?        
1 1 1 7  4  4  o 157.4359 3.243064 247.9123   10.21149 247.9123   10.21149 ?          ?        157.4359 3.243064 ?        ?        ?         ?        
1 1 1 7  4  5  o 563.0217 8.967707 3176.341   100.9803 3176.341   100.9803 ?          ?        563.0217 8.967707 ?        ?        ?         ?        
1 1 1 7  4  6  o 155.7951 3.277218 242.8065   10.21149 242.8065   10.21149 ?          ?        155.7951 3.277218 ?        ?        ?         ?        
1 1 1 7  4  7  o 551.7602 8.173975 3050.966   90.20149 3050.966   90.20149 ?          ?        551.7602 8.173975 ?        ?        ?         ?        
1 1 1 7  4  8  o 110.6709 3.331934 122.5379   7.374964 122.5379   7.374964 ?          ?        110.6709 3.331934 ?        ?        ?         ?        
1 1 1 7  4  9  o 483.0153 11.27527 2340.700   108.9226 2340.700   108.9226 ?          ?        483.0153 11.27527 ?        ?        ?         ?        
1 1 1 7  4  10 o 151.7407 4.299445 230.3258   13.04801 230.3258   13.04801 ?          ?        151.7407 4.299445 ?        ?        ?         ?        
1 1 1 7  4  11 o 365.5502 8.690757 1338.272   63.53815 1338.272   63.53815 ?          ?        365.5502 8.690757 ?        ?        ?         ?        
1 1 1 7  4  12 o 503.4781 11.83111 2544.930   119.1340 2544.930   119.1340 ?          ?        503.4781 11.83111 ?        ?        ?         ?        
1 1 1 7  4  13 o 219.7034 6.197138 483.3438   27.23064 483.3438   27.23064 ?          ?        219.7034 6.197138 ?        ?        ?         ?        
1 1 1 7  4  14 o 139.4058 5.493759 194.5856   15.31723 194.5856   15.31723 ?          ?        139.4058 5.493759 ?        ?        ?         ?        
1 1 1 7  4  15 o 158.3434 6.269815 251.3161   19.85567 251.3161   19.85567 ?          ?        158.3434 6.269815 ?        ?        ?         ?        
1 1 1 7  4  16 f 282.7224 7.524675 803.3038   42.54787 803.3038   42.54787 ?          ?        282.7224 7.524675 ?        ?        ?         ?        
1 1 1 7  4  17 o 218.8902 6.608920 482.2092   28.93255 482.2092   28.93255 ?          ?        218.8902 6.608920 ?        ?        ?         ?        
1 1 1 7  4  18 o 67.92337 9.604952 47.08631   13.04801 47.08631   13.04801 ?          ?        67.92337 9.604952 ?        ?        ?         ?        
1 1 1 7  4  19 o 203.0058 6.846587 417.5364   27.79794 417.5364   27.79794 ?          ?        203.0058 6.846587 ?        ?        ?         ?        
1 1 1 7  5  0  o 397.8392 8.493111 1585.617   67.50929 1585.617   67.50929 1585.617   67.50929 397.8392 8.493111 397.8392 8.493111 -0.000000 0.000000 
1 1 1 7  5  1  o 596.1912 8.754249 3557.569   104.3841 3557.569   104.3841 ?          ?        596.1912 8.754249 ?        ?        ?         ?        
1 1 1 7  5  2  o 142.9027 2.977401 204.2298   8.509575 204.2298   8.509575 ?          ?        142.9027 2.977401 ?        ?        ?         ?        
1 1 1 7  5  3  o 803.5422 12.53159 6466.709   201.3933 6466.709   201.3933 ?          ?        803.5422 12.53159 ?        ?        ?         ?        
1 1 1 7  5  4  o 379.3647 6.205942 1440.387   47.08631 1440.387   47.08631 ?          ?        379.3647 6.205942 ?        ?        ?         ?        
1 1 1 7  5  5  o 396.9412 6.074063 1577.108   48.22092 1577.108   48.22092 ?          ?        396.9412 6.074063 ?        ?        ?         ?        
1 1 1 7  5  6  o 212.9840 3.862225 453.8440   16.45185 453.8440   16.45185 ?          ?        212.9840 3.862225 ?        ?        ?         ?        
1 1 1 7  5  7  f 53.23463 5.328345 28.36525   5.673049 28.36525   5.673049 ?          ?        53.23463 5.328345 ?        ?        ?         ?        
1 1 1 7  5  8  o 78.96570 4.310517 62.40355   6.807660 62.40355   6.807660 ?          ?        78.96570 4.310517 ?        ?        ?         ?        
1 1 1 7  5  9  o 706.2742 14.05663 5012.707   198.5567 5012.707   198.5567 ?          ?        706.2742 14.05663 ?        ?        ?         ?        
1 1 1 7  5  10 o 325.5372 7.754895 1060.860   50.49014 1060.860   50.49014 ?          ?        325.5372 7.754895 ?        ?        ?         ?        
1 1 1 7  5  11 o 697.6913 16.09973 4893.005   224.6528 4893.005   224.6528 ?          ?        697.6913 16.09973 ?        ?        ?         ?        
1 1 1 7  5  12 o 286.3025 7.133356 820.8903   40.84595 820.8903   40.84595 ?          ?        286.3025 7.133356 ?        ?        ?         ?        
1 1 1 7  5  13 o 659.8002 15.47664 4390.373   204.2298 4390.373   204.2298 ?          ?        659.8002 15.47664 ?        ?        ?         ?        
1 1 1 7  5  14 o 450.9408 10.69340 2043.432   96.44185 2043.432   96.44185 ?          ?        450.9408 10.69340 ?        ?        ?         ?        
1 1 1 7  5  15 o 304.7386 8.377254 932.6494   51.05745 932.6494   51.05745 ?          ?        304.7386 8.377254 ?        ?        ?         ?        
1 1 1 7  5  16 o 86.64497 7.529586 75.45156   13.04801 75.45156   13.04801 ?          ?        86.64497 7.529586 ?        ?        ?         ?        
1 1 1 7  5  17 o 260.3884 7.080735 683.0352   36.87482 683.0352   36.87482 ?          ?        260.3884 7.080735 ?        ?        ?         ?        
1 1 1 7  5  18 o 185.9680 6.253631 348.8925   23.25950 348.8925   23.25950 ?          ?        185.9680 6.253631 ?        ?        ?         ?        
1 1 1 7  5  19 o 282.2396 7.738547 810.1115   43.68248 810.1115   43.68248 ?          ?        282.2396 7.738547 ?        ?        ?         ?        
1 1 1 7  6  0  o 113.2772 5.791430 129.3455   13.04801 129.3455   13.04801 129.3455   13.04801 113.2772 5.791430 113.2772 5.791430 -0.000000 0.000000 
1 1 1 7  6  1  o 721.6491 10.53405 5214.100   152.0377 5214.100   152.0377 ?          ?        721.6491 10.53405 ?        ?        ?         ?        
1 1 1 7  6  2  o 211.5541 3.486090 447.6036   14.74993 447.6036   14.74993 ?          ?        211.5541 3.486090 ?        ?        ?         ?        
1 1 1 7  6  3  o 677.0731 9.928861 4588.930   134.4513 4588.930   134.4513 ?          ?        677.0731 9.928861 ?        ?        ?         ?        
1 1 1 7  6  4  o 291.3374 4.868109 849.2556   28.36525 849.2556   28.36525 ?          ?        291.3374 4.868109 ?        ?        ?         ?        
1 1 1 7  6  5  o 378.8884 6.138879 1436.983   46.51900 1436.983   46.51900 ?          ?        378.8884 6.138879 ?        ?        ?         ?        
1 1 1 7  6  6  f 242.2394 4.332551 587.1606   20.99029 587.1606   20.99029 ?          ?        242.2394 4.332551 ?        ?        ?         ?        
1 1 1 7  6  7  o 250.8611 4.409791 629.7086   22.12490 629.7086   22.12490 ?          ?        250.8611 4.409791 ?        ?        ?         ?        
1 1 1 7  6  8  o 96.42847 3.824060 93.03801   7.374964 93.03801   7.374964 ?          ?        96.42847 3.824060 ?        ?        ?         ?        
1 1 1 7  6  9  o 298.3797 6.654500 891.2361   39.71135 891.2361   39.71135 ?          ?        298.3797 6.654500 ?        ?        ?         ?        
1 1 1 7  6  10 o 564.3452 13.01792 3194.494   146.9320 3194.494   146.9320 ?          ?        564.3452 13.01792 ?        ?        ?         ?        
1 1 1 7  6  11 o 319.5006 8.434095 1022.284   53.89397 1022.284   53.89397 ?          ?        319.5006 8.434095 ?        ?        ?         ?        
1 1 1 7  6  12 o 227.5853 6.107149 518.5167   27.79794 518.5167   27.79794 ?          ?        227.5853 6.107149 ?        ?        ?         ?        
1 1 1 7  6  13 o 436.7924 10.32544 1915.222   90.20149 1915.222   90.20149 ?          ?        436.7924 10.32544 ?        ?        ?         ?        
1 1 1 7  6  14 o 156.0774 5.633888 243.9411   17.58645 243.9411   17.58645 ?          ?        156.0774 5.633888 ?        ?        ?         ?        
1 1 1 7  6  15 o 336.6175 9.184941 1139.148   61.83624 1139.148   61.83624 ?          ?        336.6175 9.184941 ?        ?        ?         ?        
1 1 1 7  6  16 o 143.0607 6.146501 205.3644   17.58645 205.3644   17.58645 ?          ?        143.0607 6.146501 ?        ?        ?         ?        
1 1 1 7  6  17 o 293.1490 8.224642 867.9766   48.22092 867.9766   48.22092 ?          ?        293.1490 8.224642 ?        ?        ?         ?        
1 1 1 7  6  18 o 33.56952 12.55445 9.076880   11.34610 9.076880   11.34610 ?          ?        33.56952 12.55445 ?        ?        ?         ?        
1 1 1 7  6  19 f 50.10991 12.48463 27.23064   12.48071 27.23064   12.48071 ?          ?        50.10991 12.48463 ?        ?        ?         ?        
1 1 1 7  7  0  o 571.1901 11.92997 3269.378   136.1532 3269.378   136.1532 3269.378   136.1532 571.1901 11.92997 571.1901 11.92997 -0.000000 0.000000 
1 1 1 7  7  1  o 848.4030 12.37047 7209.312   209.9028 7209.312   209.9028 ?          ?        848.4030 12.37047 ?        ?        ?         ?        
1 1 1 7  7  2  o 281.5941 4.331432 793.0923   24.39412 793.0923   24.39412 ?          ?        281.5941 4.331432 ?        ?        ?         ?        
1 1 1 7  7  3  o 1037.457 15.09230 10790.71   313.1523 10790.71   313.1523 ?          ?        1037.457 15.09230 ?        ?        ?         ?        
1 1 1 7  7  4  o 224.0296 3.671802 502.0649   16.45185 502.0649   16.45185 ?          ?        224.0296 3.671802 ?        ?        ?         ?        
1 1 1 7  7  5  o 559.2089 8.825955 3133.793   98.71106 3133.793   98.71106 ?          ?        559.2089 8.825955 ?        ?        ?         ?        
1 1 1 7  7  6  o 306.5602 5.089013 940.5916   31.20177 940.5916   31.20177 ?          ?        306.5602 5.089013 ?        ?        ?         ?        
1 1 1 7  7  7  o 206.4929 3.983634 426.6133   16.45185 426.6133   16.45185 ?          ?        206.4929 3.983634 ?        ?        ?         ?        
1 1 1 7  7  8  o 84.16496 5.392315 70.91312   9.076880 70.91312   9.076880 ?          ?        84.16496 5.392315 ?        ?        ?         ?        
1 1 1 7  7  9  o 504.4908 10.79530 2551.738   108.9226 2551.738   108.9226 ?          ?        504.4908 10.79530 ?        ?        ?         ?        
1 1 1 7  7  10 o 311.3034 7.471651 970.0915   46.51900 970.0915   46.51900 ?          ?        311.3034 7.471651 ?        ?        ?         ?        
1 1 1 7  7  11 o 419.9393 10.73982 1767.722   90.20149 1767.722   90.20149 ?          ?        419.9393 10.73982 ?        ?        ?         ?        
1 1 1 7  7  12 o 330.5717 8.065826 1094.899   53.32666 1094.899   53.32666 ?          ?        330.5717 8.065826 ?        ?        ?         ?        
1 1 1 7  7  13 o 344.1447 9.066470 1187.937   62.40355 1187.937   62.40355 ?          ?        344.1447 9.066470 ?        ?        ?         ?        
1 1 1 7  7  14 o 255.7871 7.208108 655.8046   36.87482 655.8046   36.87482 ?          ?        255.7871 7.208108 ?        ?        ?         ?        
1 1 1 7  7  15 o 219.8100 6.452219 484.4784   28.36525 484.4784   28.36525 ?          ?        219.8100 6.452219 ?        ?        ?         ?        
1 1 1 7  7  16 o 324.8575 8.207701 1061.995   53.32666 1061.995   53.32666 ?          ?        324.8575 8.207701 ?        ?        ?         ?        
1 1 1 7  7  17 o 296.5894 8.416153 888.9669   49.92284 888.9669   49.92284 ?          ?        296.5894 8.416153 ?        ?        ?         ?        
1 1 1 7  7  18 o 37.39173 13.79845 11.91340   13.61532 11.91340   13.61532 ?          ?        37.39173 13.79845 ?        ?        ?         ?        
1 1 1 7  7  19 o 42.61104 12.88688 19.28837   11.91340 19.28837   11.91340 ?          ?        42.61104 12.88688 ?        ?        ?         ?        
1 1 1 7  8  0  o 155.6301 4.381933 242.8065   13.61532 242.8065   13.61532 242.8065   13.61532 155.6301 4.381933 155.6301 4.381933 -0.000000 0.000000 
1 1 1 7  8  1  o 1001.753 14.55423 10056.05   291.5948 10056.05   291.5948 ?          ?        1001.753 14.55423 ?        ?        ?         ?        
1 1 1 7  8  2  o 362.6585 5.475034 1315.580   39.71135 1315.580   39.71135 ?          ?        362.6585 5.475034 ?        ?        ?         ?        
1 1 1 7  8  3  o 674.3859 9.968423 4553.757   134.4513 4553.757   134.4513 ?          ?        674.3859 9.968423 ?        ?        ?         ?        
1 1 1 7  8  4  o 383.1414 5.922670 1469.320   45.38440 1469.320   45.38440 ?          ?        383.1414 5.922670 ?        ?        ?         ?        
1 1 1 7  8  5  o 618.7392 9.810536 3838.953   121.4033 3838.953   121.4033 ?          ?        618.7392 9.810536 ?        ?        ?         ?        
1 1 1 7  8  6  o 163.0828 3.478631 266.0660   11.34610 266.0660   11.34610 ?          ?        163.0828 3.478631 ?        ?        ?         ?        
1 1 1 7  8  7  o 146.9856 3.666616 216.1432   10.77879 216.1432   10.77879 ?          ?        146.9856 3.666616 ?        ?        ?         ?        
1 1 1 7  8  8  o 170.8778 4.149932 292.1620   14.18262 292.1620   14.18262 ?          ?        170.8778 4.149932 ?        ?        ?         ?        
1 1 1 7  8  9  o 466.6721 9.360423 2181.855   87.36497 2181.855   87.36497 ?          ?        466.6721 9.360423 ?        ?        ?         ?        
1 1 1 7  8  10 o 163.6092 4.160927 267.7679   13.61532 267.7679   13.61532 ?          ?        163.6092 4.160927 ?        ?        ?         ?        
1 1 1 7  8  11 o 154.1347 4.968782 237.7008   15.31723 237.7008   15.31723 ?          ?        154.1347 4.968782 ?        ?        ?         ?        
1 1 1 7  8  12 o 421.1667 10.91057 1780.203   91.90340 1780.203   91.90340 ?          ?        421.1667 10.91057 ?        ?        ?         ?        
1 1 1 7  8  13 o 507.9158 12.95636 2595.987   131.6148 2595.987   131.6148 ?          ?        507.9158 12.95636 ?        ?        ?         ?        
1 1 1 7  8  14 o 437.3444 12.51758 1926.568   109.4899 1926.568   109.4899 ?          ?        437.3444 12.51758 ?        ?        ?         ?        
1 1 1 7  8  15 o 183.6333 8.032274 338.6811   29.49986 338.6811   29.49986 ?          ?        183.6333 8.032274 ?        ?        ?         ?        
1 1 1 7  8  16 o 386.3741 11.52599 1512.435   89.06688 1512.435   89.06688 ?          ?        386.3741 11.52599 ?        ?        ?         ?        
1 1 1 7  8  17 o 251.1179 8.923515 638.2181   44.81709 638.2181   44.81709 ?          ?        251.1179 8.923515 ?        ?        ?         ?        
1 1 1 7  8  18 o 265.9067 8.960590 719.9100   47.65361 719.9100   47.65361 ?          ?        265.9067 8.960590 ?        ?        ?         ?        
1 1 1 7  8  19 o 226.3390 9.023181 524.7571   40.84595 524.7571   40.84595 ?          ?        226.3390 9.023181 ?        ?        ?         ?        
1 1 1 7  9  0  o 579.8616 12.14335 3369.224   140.6916 3369.224   140.6916 3369.224   140.6916 579.8616 12.14335 579.8616 12.14335 -0.000000 0.000000 
1 1 1 7  9  1  o 866.8333 12.59829 7525.300   218.4124 7525.300   218.4124 ?          ?        866.8333 12.59829 ?        ?        ?         ?        
1 1 1 7  9  2  o 679.6418 9.974805 4623.535   135.5859 4623.535   135.5859 ?          ?        679.6418 9.974805 ?        ?        ?         ?        
1 1 1 7  9  3  o 526.7717 7.861711 2777.525   82.82652 2777.525   82.82652 ?          ?        526.7717 7.861711 ?        ?        ?         ?        
1 1 1 7  9  4  o 350.8114 5.417360 1231.619   38.00943 1231.619   38.00943 ?          ?        350.8114 5.417360 ?        ?        ?         ?        
1 1 1 7  9  5  o 497.3804 7.413808 2477.988   73.74965 2477.988   73.74965 ?          ?        497.3804 7.413808 ?        ?        ?         ?        
1 1 1 7  9  6  o 51.05828 5.555465 26.09603   5.673049 26.09603   5.673049 ?          ?        51.05828 5.555465 ?        ?        ?         ?        
1 1 1 7  9  7  o 359.6937 5.599021 1295.157   40.27865 1295.157   40.27865 ?          ?        359.6937 5.599021 ?        ?        ?         ?        
1 1 1 7  9  8  o 292.1965 4.659646 854.3613   27.23064 854.3613   27.23064 ?          ?        292.1965 4.659646 ?        ?        ?         ?        
1 1 1 7  9  9  o 559.2000 11.21016 3134.927   125.3744 3134.927   125.3744 ?          ?        559.2000 11.21016 ?        ?        ?         ?        
1 1 1 7  9  10 o 250.9670 5.877238 630.2758   29.49986 630.2758   29.49986 ?          ?        250.9670 5.877238 ?        ?        ?         ?        
1 1 1 7  9  11 f 292.7094 7.171032 857.7651   41.98057 857.7651   41.98057 ?          ?        292.7094 7.171032 ?        ?        ?         ?        
1 1 1 7  9  12 o 281.3121 8.469885 793.0923   47.65361 793.0923   47.65361 ?          ?        281.3121 8.469885 ?        ?        ?         ?        
1 1 1 7  9  13 o 361.5152 11.84778 1313.878   85.66305 1313.878   85.66305 ?          ?        361.5152 11.84778 ?        ?        ?         ?        
1 1 1 7  9  14 o 359.9221 10.79689 1302.532   77.72078 1302.532   77.72078 ?          ?        359.9221 10.79689 ?        ?        ?         ?        
1 1 1 7  9  15 o 363.3228 10.61776 1330.330   77.15348 1330.330   77.15348 ?          ?        363.3228 10.61776 ?        ?        ?         ?        
1 1 1 7  9  16 o 172.1524 8.073642 298.4024   27.79794 298.4024   27.79794 ?          ?        172.1524 8.073642 ?        ?        ?         ?        
1 1 1 7  9  17 o 105.2204 9.704856 112.3264   20.42298 112.3264   20.42298 ?          ?        105.2204 9.704856 ?        ?        ?         ?        
1 1 1 7  9  18 o 112.5713 10.58298 129.9128   23.82681 129.9128   23.82681 ?          ?        112.5713 10.58298 ?        ?        ?         ?        
1 1 1 7  9  19 o 233.5094 8.624632 557.6608   40.27865 557.6608   40.27865 ?          ?        233.5094 8.624632 ?        ?        ?         ?        
1 1 1 7  10 0  o 281.4776 7.570065 794.2269   42.54787 794.2269   42.54787 794.2269   42.54787 281.4776 7.570065 281.4776 7.570065 -0.000000 0.000000 
1 1 1 7  10 1  o 626.0342 9.288431 3922.346   116.2975 3922.346   116.2975 ?          ?        626.0342 9.288431 ?        ?        ?         ?        
1 1 1 7  10 2  o 596.8288 8.839950 3564.944   105.5187 3564.944   105.5187 ?          ?        596.8288 8.839950 ?        ?        ?         ?        
1 1 1 7  10 3  o 768.2449 11.26125 5916.424   173.0280 5916.424   173.0280 ?          ?        768.2449 11.26125 ?        ?        ?         ?        
1 1 1 7  10 4  o 110.4271 3.082422 121.9706   6.807660 121.9706   6.807660 ?          ?        110.4271 3.082422 ?        ?        ?         ?        
1 1 1 7  10 5  o 163.2610 3.301092 266.6333   10.77879 266.6333   10.77879 ?          ?        163.2610 3.301092 ?        ?        ?         ?        
1 1 1 7  10 6  f 123.0522 3.227196 151.4704   7.942269 151.4704   7.942269 ?          ?        123.0522 3.227196 ?        ?        ?         ?        
1 1 1 7  10 7  o 247.5588 4.354034 613.2567   21.55759 613.2567   21.55759 ?          ?        247.5588 4.354034 ?        ?        ?         ?        
1 1 1 7  10 8  o 289.8641 4.697139 840.7460   27.23064 840.7460   27.23064 ?          ?        289.8641 4.697139 ?        ?        ?         ?        
1 1 1 7  10 9  o 571.5584 11.46405 3275.052   131.0475 3275.052   131.0475 ?          ?        571.5584 11.46405 ?        ?        ?         ?        
1 1 1 7  10 10 o 707.8426 14.98724 5033.697   212.1721 5033.697   212.1721 ?          ?        707.8426 14.98724 ?        ?        ?         ?        
1 1 1 7  10 11 o 120.6908 6.345651 145.7974   15.31723 145.7974   15.31723 ?          ?        120.6908 6.345651 ?        ?        ?         ?        
1 1 1 7  10 12 o 445.2915 11.40237 1990.673   101.5476 1990.673   101.5476 ?          ?        445.2915 11.40237 ?        ?        ?         ?        
1 1 1 7  10 13 o 594.0977 18.57284 3575.723   220.6816 3575.723   220.6816 ?          ?        594.0977 18.57284 ?        ?        ?         ?        
1 1 1 7  10 14 o 205.7299 7.445313 424.3441   30.63447 424.3441   30.63447 ?          ?        205.7299 7.445313 ?        ?        ?         ?        
1 1 1 7  10 15 o 314.9243 9.817635 998.4568   61.83624 998.4568   61.83624 ?          ?        314.9243 9.817635 ?        ?        ?         ?        
1 1 1 7  10 16 o 134.8925 9.462622 183.8068   25.52872 183.8068   25.52872 ?          ?        134.8925 9.462622 ?        ?        ?         ?        
1 1 1 7  10 17 o 199.4456 8.391008 402.2192   33.47099 402.2192   33.47099 ?          ?        199.4456 8.391008 ?        ?        ?         ?        
1 1 1 7  10 18 o 125.8678 10.36645 162.2492   26.09603 162.2492   26.09603 ?          ?        125.8678 10.36645 ?        ?        ?         ?        
1 1 1 7  10 19 o 67.11319 16.21772 50.49014   21.55759 50.49014   21.55759 ?          ?        67.11319 16.21772 ?        ?        ?         ?        
1 1 1 7  11 0  o 25.83842 11.49117 9.644185   6.240355 9.644185   6.240355 9.644185   6.240355 25.83842 11.49117 25.83842 11.49117 -0.000000 0.000000 
1 1 1 7  11 1  o 1061.006 15.39896 11283.13   326.7676 11283.13   326.7676 ?          ?        1061.006 15.39896 ?        ?        ?         ?        
1 1 1 7  11 2  o 417.2962 6.253599 1742.194   52.19205 1742.194   52.19205 ?          ?        417.2962 6.253599 ?        ?        ?         ?        
1 1 1 7  11 3  o 395.8780 6.162029 1568.598   48.78823 1568.598   48.78823 ?          ?        395.8780 6.162029 ?        ?        ?         ?        
1 1 1 7  11 4  o 472.4815 7.084086 2235.182   66.94199 2235.182   66.94199 ?          ?        472.4815 7.084086 ?        ?        ?         ?        
1 1 1 7  11 5  o 383.3898 5.992818 1471.589   45.95170 1471.589   45.95170 ?          ?        383.3898 5.992818 ?        ?        ?         ?        
1 1 1 7  11 6  f 245.0412 4.051497 600.7759   19.85567 600.7759   19.85567 ?          ?        245.0412 4.051497 ?        ?        ?         ?        
1 1 1 7  11 7  o 182.7328 4.346383 334.1426   15.88454 334.1426   15.88454 ?          ?        182.7328 4.346383 ?        ?        ?         ?        
1 1 1 7  11 8  o 202.0603 3.930644 408.4596   15.88454 408.4596   15.88454 ?          ?        202.0603 3.930644 ?        ?        ?         ?        
1 1 1 7  11 9  o 327.0464 6.765062 1070.505   44.24979 1070.505   44.24979 ?          ?        327.0464 6.765062 ?        ?        ?         ?        
1 1 1 7  11 10 o 621.2562 13.24079 3874.126   164.5184 3874.126   164.5184 ?          ?        621.2562 13.24079 ?        ?        ?         ?        
1 1 1 7  11 11 o 319.6342 8.519315 1023.418   54.46128 1023.418   54.46128 ?          ?        319.6342 8.519315 ?        ?        ?         ?        
1 1 1 7  11 12 o 412.0861 11.83933 1705.319   97.57646 1705.319   97.57646 ?          ?        412.0861 11.83933 ?        ?        ?         ?        
1 1 1 7  11 13 o 674.2068 21.03601 4621.266   283.6525 4621.266   283.6525 ?          ?        674.2068 21.03601 ?        ?        ?         ?        
1 1 1 7  11 14 o 281.4945 9.068995 795.3616   51.05745 795.3616   51.05745 ?          ?        281.4945 9.068995 ?        ?        ?         ?        
1 1 1 7  11 15 o 342.7083 10.42876 1183.398   71.48043 1183.398   71.48043 ?          ?        342.7083 10.42876 ?        ?        ?         ?        
1 1 1 7  11 16 o 122.1460 9.753411 150.9031   23.82681 150.9031   23.82681 ?          ?        122.1460 9.753411 ?        ?        ?         ?        
1 1 1 7  11 17 o 171.0591 8.622707 296.1332   29.49986 296.1332   29.49986 ?          ?        171.0591 8.622707 ?        ?        ?         ?        
1 1 1 7  11 18 o 196.9996 8.351208 394.2770   32.90369 394.2770   32.90369 ?          ?        196.9996 8.351208 ?        ?        ?         ?        
1 1 1 7  11 19 o 130.8185 10.40779 176.9992   27.23064 176.9992   27.23064 ?          ?        130.8185 10.40779 ?        ?        ?         ?        
1 1 1 7  12 0  o 683.9946 14.23795 4689.343   194.5856 4689.343   194.5856 4689.343   194.5856 683.9946 14.23795 683.9946 14.23795 -0.000000 0.000000 
1 1 1 7  12 1  o 401.5202 6.146083 1612.848   49.35553 1612.848   49.35553 ?          ?        401.5202 6.146083 ?        ?        ?         ?        
1 1 1 7  12 2  o 601.8557 8.907504 3626.781   107.2206 3626.781   107.2206 ?          ?        601.8557 8.907504 ?        ?        ?         ?        
1 1 1 7  12 3  o 713.7693 11.24644 5111.418   160.5473 5111.418   160.5473 ?          ?        713.7693 11.24644 ?        ?        ?         ?        
1 1 1 7  12 4  o 553.4558 8.251435 3068.553   91.33610 3068.553   91.33610 ?          ?        553.4558 8.251435 ?        ?        ?         ?        
1 1 1 7  12 5  o 60.22422 5.651928 36.30752   6.807660 36.30752   6.807660 ?          ?        60.22422 5.651928 ?        ?        ?         ?        
1 1 1 7  12 6  o 249.1665 4.212100 621.1990   20.99029 621.1990   20.99029 ?          ?        249.1665 4.212100 ?        ?        ?         ?        
1 1 1 7  12 7  o 311.6748 5.005501 972.3607   31.20177 972.3607   31.20177 ?          ?        311.6748 5.005501 ?        ?        ?         ?        
1 1 1 7  12 8  f 305.8046 7.420489 936.6205   45.38440 936.6205   45.38440 ?          ?        305.8046 7.420489 ?        ?        ?         ?        
1 1 1 7  12 9  o 652.1236 12.96203 4265.566   169.0569 4265.566   169.0569 ?          ?        652.1236 12.96203 ?        ?        ?         ?        
1 1 1 7  12 10 o 306.3517 6.759105 939.4571   41.41326 939.4571   41.41326 ?          ?        306.3517 6.759105 ?        ?        ?         ?        
1 1 1 7  12 11 o 88.74216 7.351643 78.85539   13.04801 78.85539   13.04801 ?          ?        88.74216 7.351643 ?        ?        ?         ?        
1 1 1 7  12 12 o 434.3894 13.77812 1897.635   119.7014 1897.635   119.7014 ?          ?        434.3894 13.77812 ?        ?        ?         ?        
1 1 1 7  12 13 o 435.6594 12.50089 1908.981   108.9226 1908.981   108.9226 ?          ?        435.6594 12.50089 ?        ?        ?         ?        
1 1 1 7  12 14 o 142.6677 8.748096 204.2298   24.96142 204.2298   24.96142 ?          ?        142.6677 8.748096 ?        ?        ?         ?        
1 1 1 7  12 15 o 439.8216 12.89852 1956.635   113.4610 1956.635   113.4610 ?          ?        439.8216 12.89852 ?        ?        ?         ?        
1 1 1 7  12 16 o 49.24090 17.23380 22.69220   20.99029 22.69220   20.99029 ?          ?        49.24090 17.23380 ?        ?        ?         ?        
1 1 1 7  12 17 o 215.1768 8.568492 468.5939   36.87482 468.5939   36.87482 ?          ?        215.1768 8.568492 ?        ?        ?         ?        
1 1 1 7  12 18 o 112.3314 11.11062 129.9128   24.96142 129.9128   24.96142 ?          ?        112.3314 11.11062 ?        ?        ?         ?        
1 1 1 7  12 19 o 139.5399 10.36712 201.3933   28.93255 201.3933   28.93255 ?          ?        139.5399 10.36712 ?        ?        ?         ?        
1 1 1 7  13 0  o 844.8873 20.13551 7167.898   339.8157 7167.898   339.8157 7167.898   339.8157 844.8873 20.13551 844.8873 20.13551 -0.000000 0.000000 
1 1 1 7  13 1  o 461.4460 7.130560 2130.798   65.80738 2130.798   65.80738 ?          ?        461.4460 7.130560 ?        ?        ?         ?        
1 1 1 7  13 2  o 291.1616 4.578786 848.1210   26.66333 848.1210   26.66333 ?          ?        291.1616 4.578786 ?        ?        ?         ?        
1 1 1 7  13 3  f 676.1638 10.02611 4583.824   135.5859 4583.824   135.5859 ?          ?        676.1638 10.02611 ?        ?        ?         ?        
1 1 1 7  13 4  o 292.5936 4.653321 856.6305   27.23064 856.6305   27.23064 ?          ?        292.5936 4.653321 ?        ?        ?         ?        
1 1 1 7  13 5  o 104.8869 3.515676 110.0572   7.374964 110.0572   7.374964 ?          ?        104.8869 3.515676 ?        ?        ?         ?        
1 1 1 7  13 6  o 405.9673 7.196689 1650.857   58.43241 1650.857   58.43241 ?          ?        405.9673 7.196689 ?        ?        ?         ?        
1 1 1 7  13 7  o 176.2727 3.540171 310.8831   12.48071 310.8831   12.48071 ?          ?        176.2727 3.540171 ?        ?        ?         ?        
1 1 1 7  13 8  o 728.6624 15.57113 5346.850   226.9220 5346.850   226.9220 ?          ?        728.6624 15.57113 ?        ?        ?         ?        
1 1 1 7  13 9  o 718.1376 15.28586 5178.359   219.5470 5178.359   219.5470 ?          ?        718.1376 15.28586 ?        ?        ?         ?        
1 1 1 7  13 10 o 237.5133 5.254741 564.4684   24.96142 564.4684   24.96142 ?          ?        237.5133 5.254741 ?        ?        ?         ?        
1 1 1 7  13 11 f 60.77903 13.42639 38.57674   15.88454 38.57674   15.88454 ?          ?        60.77903 13.42639 ?        ?        ?         ?        
1 1 1 7  13 12 f 644.2610 20.16463 4200.893   259.8257 4200.893   259.8257 ?          ?        644.2610 20.16463 ?        ?        ?         ?        
1 1 1 7  13 13 o 139.1305 7.951129 194.0183   22.12490 194.0183   22.12490 ?          ?        139.1305 7.951129 ?        ?        ?         ?        
1 1 1 7  13 14 o 362.1755 10.80803 1318.417   78.28809 1318.417   78.28809 ?          ?        362.1755 10.80803 ?        ?        ?         ?        
1 1 1 7  13 15 o 355.8294 10.60221 1275.869   75.45156 1275.869   75.45156 ?          ?        355.8294 10.60221 ?        ?        ?         ?        
1 1 1 7  13 16 o 283.9930 9.288851 815.2172   52.75936 815.2172   52.75936 ?          ?        283.9930 9.288851 ?        ?        ?         ?        
1 1 1 7  13 17 o 190.6805 8.181692 367.6136   31.20177 367.6136   31.20177 ?          ?        190.6805 8.181692 ?        ?        ?         ?        
1 1 1 7  13 18 o 111.5553 11.69646 128.7782   26.09603 128.7782   26.09603 ?          ?        111.5553 11.69646 ?        ?        ?         ?        
1 1 1 7  13 19 o 125.3525 10.63534 162.8165   26.66333 162.8165   26.66333 ?          ?        125.3525 10.63534 ?        ?        ?         ?        
1 1 1 7  14 0  o 450.9272 9.760340 2037.760   87.93227 2037.760   87.93227 2037.760   87.93227 450.9272 9.760340 450.9272 9.760340 -0.000000 0.000000 
1 1 1 7  14 1  o 282.5660 4.718072 798.7654   26.66333 798.7654   26.66333 ?          ?        282.5660 4.718072 ?        ?        ?         ?        
1 1 1 7  14 2  o 66.50198 4.691856 44.24979   6.240355 44.24979   6.240355 ?          ?        66.50198 4.691856 ?        ?        ?         ?        
1 1 1 7  14 3  o 355.7066 5.502294 1266.225   39.14404 1266.225   39.14404 ?          ?        355.7066 5.502294 ?        ?        ?         ?        
1 1 1 7  14 4  o 140.0802 3.239887 196.2875   9.076880 196.2875   9.076880 ?          ?        140.0802 3.239887 ?        ?        ?         ?        
1 1 1 7  14 5  o 479.7939 7.330836 2306.095   70.34581 2306.095   70.34581 ?          ?        479.7939 7.330836 ?        ?        ?         ?        
1 1 1 7  14 6  o 548.3563 8.224715 3013.524   90.20149 3013.524   90.20149 ?          ?        548.3563 8.224715 ?        ?        ?         ?        
1 1 1 7  14 7  o 113.4509 3.500310 128.7782   7.942269 128.7782   7.942269 ?          ?        113.4509 3.500310 ?        ?        ?         ?        
1 1 1 7  14 8  o 843.0306 18.00102 7173.004   303.5081 7173.004   303.5081 ?          ?        843.0306 18.00102 ?        ?        ?         ?        
1 1 1 7  14 9  o 245.7161 6.349152 604.1797   31.20177 604.1797   31.20177 ?          ?        245.7161 6.349152 ?        ?        ?         ?        
1 1 1 7  14 10 f 114.9514 3.948139 132.1821   9.076880 132.1821   9.076880 ?          ?        114.9514 3.948139 ?        ?        ?         ?        
1 1 1 7  14 11 o 202.1242 6.876450 409.0269   27.79794 409.0269   27.79794 ?          ?        202.1242 6.876450 ?        ?        ?         ?        
1 1 1 7  14 12 o 379.9543 12.16866 1450.031   92.47070 1450.031   92.47070 ?          ?        379.9543 12.16866 ?        ?        ?         ?        
1 1 1 7  14 13 o 173.7131 7.511245 302.3735   26.09603 302.3735   26.09603 ?          ?        173.7131 7.511245 ?        ?        ?         ?        
1 1 1 7  14 14 o 265.1702 8.985476 705.7274   47.65361 705.7274   47.65361 ?          ?        265.1702 8.985476 ?        ?        ?         ?        
1 1 1 7  14 15 o 189.3604 8.238729 360.2386   31.20177 360.2386   31.20177 ?          ?        189.3604 8.238729 ?        ?        ?         ?        
1 1 1 7  14 16 o 174.1959 8.793109 306.3447   30.63447 306.3447   30.63447 ?          ?        174.1959 8.793109 ?        ?        ?         ?        
1 1 1 7  14 17 o 158.6721 13.40749 259.2584   42.54787 259.2584   42.54787 ?          ?        158.6721 13.40749 ?        ?        ?         ?        
1 1 1 7  14 18 o 148.8510 9.528067 226.9220   28.36525 226.9220   28.36525 ?          ?        148.8510 9.528067 ?        ?        ?         ?        
1 1 1 7  14 19 o 120.7104 10.57437 150.9031   25.52872 150.9031   25.52872 ?          ?        120.7104 10.57437 ?        ?        ?         ?        
1 1 1 7  15 0  o 318.9599 7.122334 1019.447   45.38440 1019.447   45.38440 1019.447   45.38440 318.9599 7.122334 318.9599 7.122334 -0.000000 0.000000 
1 1 1 7  15 1  o 102.1547 3.332033 104.3841   6.807660 104.3841   6.807660 ?          ?        102.1547 3.332033 ?        ?        ?         ?        
1 1 1 7  15 2  o 636.4146 9.448925 4059.634   120.2687 4059.634   120.2687 ?          ?        636.4146 9.448925 ?        ?        ?         ?        
1 1 1 7  15 3  o 340.6468 5.412472 1161.273   36.87482 1161.273   36.87482 ?          ?        340.6468 5.412472 ?        ?        ?         ?        
1 1 1 7  15 4  o 167.8830 3.379169 281.9506   11.34610 281.9506   11.34610 ?          ?        167.8830 3.379169 ?        ?        ?         ?        
1 1 1 7  15 5  f 173.6817 3.919619 301.8062   13.61532 301.8062   13.61532 ?          ?        173.6817 3.919619 ?        ?        ?         ?        
1 1 1 7  15 6  o 355.8229 5.500495 1267.359   39.14404 1267.359   39.14404 ?          ?        355.8229 5.500495 ?        ?        ?         ?        
1 1 1 7  15 7  o 103.7915 3.826068 107.7879   7.942269 107.7879   7.942269 ?          ?        103.7915 3.826068 ?        ?        ?         ?        
1 1 1 7  15 8  o 375.7809 7.699315 1414.291   57.86510 1414.291   57.86510 ?          ?        375.7809 7.699315 ?        ?        ?         ?        
1 1 1 7  15 9  f 341.3314 8.143976 1166.379   55.59589 1166.379   55.59589 ?          ?        341.3314 8.143976 ?        ?        ?         ?        
1 1 1 7  15 10 o 96.42877 5.294836 93.03801   10.21149 93.03801   10.21149 ?          ?        96.42877 5.294836 ?        ?        ?         ?        
1 1 1 7  15 11 o 195.8704 6.516740 384.0654   25.52872 384.0654   25.52872 ?          ?        195.8704 6.516740 ?        ?        ?         ?        
1 1 1 7  15 12 o 341.0826 10.06265 1166.946   68.64390 1166.946   68.64390 ?          ?        341.0826 10.06265 ?        ?        ?         ?        
1 1 1 7  15 13 o 340.4851 9.413843 1162.975   64.10546 1162.975   64.10546 ?          ?        340.4851 9.413843 ?        ?        ?         ?        
1 1 1 7  15 14 o 86.49976 13.11691 75.45156   22.69220 75.45156   22.69220 ?          ?        86.49976 13.11691 ?        ?        ?         ?        
1 1 1 7  15 15 o 130.0930 8.939565 170.1915   23.25950 170.1915   23.25950 ?          ?        130.0930 8.939565 ?        ?        ?         ?        
1 1 1 7  15 16 o 268.7817 12.55839 736.3619   67.50929 736.3619   67.50929 ?          ?        268.7817 12.55839 ?        ?        ?         ?        
1 1 1 7  15 17 o 118.0992 10.08763 141.8262   23.82681 141.8262   23.82681 ?          ?        118.0992 10.08763 ?        ?        ?         ?        
1 1 1 7  15 18 o 200.5013 8.771244 410.1615   35.17290 410.1615   35.17290 ?          ?        200.5013 8.771244 ?        ?        ?         ?        
1 1 1 7  15 19 o 133.8474 11.01996 186.0760   29.49986 186.0760   29.49986 ?          ?        133.8474 11.01996 ?        ?        ?         ?        
1 1 1 7  16 0  o 158.2186 6.840160 251.8834   21.55759 251.8834   21.55759 251.8834   21.55759 158.2186 6.840160 158.2186 6.840160 -0.000000 0.000000 
1 1 1 7  16 1  o 400.9096 6.155443 1608.877   49.35553 1608.877   49.35553 ?          ?        400.9096 6.155443 ?        ?        ?         ?        
1 1 1 7  16 2  o 469.4656 7.190014 2206.816   67.50929 2206.816   67.50929 ?          ?        469.4656 7.190014 ?        ?        ?         ?        
1 1 1 7  16 3  f 78.61174 4.690753 61.83624   7.374964 61.83624   7.374964 ?          ?        78.61174 4.690753 ?        ?        ?         ?        
1 1 1 7  16 4  o 1144.333 19.28474 13254.51   441.3633 13254.51   441.3633 ?          ?        1144.333 19.28474 ?        ?        ?         ?        
1 1 1 7  16 5  f 329.1963 5.256075 1084.687   34.60560 1084.687   34.60560 ?          ?        329.1963 5.256075 ?        ?        ?         ?        
1 1 1 7  16 6  o 193.0110 3.821007 372.7193   14.74993 372.7193   14.74993 ?          ?        193.0110 3.821007 ?        ?        ?         ?        
1 1 1 7  16 7  o 443.7276 6.839965 1971.952   60.70163 1971.952   60.70163 ?          ?        443.7276 6.839965 ?        ?        ?         ?        
1 1 1 7  16 8  o 437.1815 8.823964 1914.654   77.15348 1914.654   77.15348 ?          ?        437.1815 8.823964 ?        ?        ?         ?        
1 1 1 7  16 9  o 375.2372 9.675886 1410.320   72.61504 1410.320   72.61504 ?          ?        375.2372 9.675886 ?        ?        ?         ?        
1 1 1 7  16 10 o 305.7834 9.276256 936.6205   56.73050 936.6205   56.73050 ?          ?        305.7834 9.276256 ?        ?        ?         ?        
1 1 1 7  16 11 o 92.47162 8.282127 85.66305   15.31723 85.66305   15.31723 ?          ?        92.47162 8.282127 ?        ?        ?         ?        
1 1 1 7  16 12 o 909.0381 25.36852 8430.152   461.2190 8430.152   461.2190 ?          ?        909.0381 25.36852 ?        ?        ?         ?        
1 1 1 7  16 13 o 94.75294 11.37568 90.20149   21.55759 90.20149   21.55759 ?          ?        94.75294 11.37568 ?        ?        ?         ?        
1 1 1 7  16 14 o 303.3469 9.631286 924.7071   58.43241 924.7071   58.43241 ?          ?        303.3469 9.631286 ?        ?        ?         ?        
1 1 1 7  16 15 o 472.0825 18.08570 2283.403   170.7588 2283.403   170.7588 ?          ?        472.0825 18.08570 ?        ?        ?         ?        
1 1 1 7  16 16 o 68.56686 16.68295 50.49014   22.69220 50.49014   22.69220 ?          ?        68.56686 16.68295 ?        ?        ?         ?        
1 1 1 7  16 17 o 303.2409 9.821734 934.3513   59.56702 934.3513   59.56702 ?          ?        303.2409 9.821734 ?        ?        ?         ?        
1 1 1 7  16 18 o 113.5775 10.73898 132.7494   24.39412 132.7494   24.39412 ?          ?        113.5775 10.73898 ?        ?        ?         ?        
1 1 1 7  16 19 o 127.7650 9.990498 168.4896   25.52872 168.4896   25.52872 ?          ?        127.7650 9.990498 ?        ?        ?         ?        
1 1 1 7  17 0  o 314.3889 7.045298 990.5145   44.24979 990.5145   44.24979 990.5145   44.24979 314.3889 7.045298 314.3889 7.045298 -0.000000 0.000000 
1 1 1 7  17 1  o 212.7299 3.866838 452.7094   16.45185 452.7094   16.45185 ?          ?        212.7299 3.866838 ?        ?        ?         ?        
1 1 1 7  17 2  o 448.5675 6.766164 2014.500   60.70163 2014.500   60.70163 ?          ?        448.5675 6.766164 ?        ?        ?         ?        
1 1 1 7  17 3  o 517.2440 7.842008 2680.516   81.12460 2680.516   81.12460 ?          ?        517.2440 7.842008 ?        ?        ?         ?        
1 1 1 7  17 4  o 813.4940 11.95987 6648.813   194.5856 6648.813   194.5856 ?          ?        813.4940 11.95987 ?        ?        ?         ?        
1 1 1 7  17 5  o 349.8761 5.593987 1225.379   39.14404 1225.379   39.14404 ?          ?        349.8761 5.593987 ?        ?        ?         ?        
1 1 1 7  17 6  o 152.6612 3.530298 233.1623   10.77879 233.1623   10.77879 ?          ?        152.6612 3.530298 ?        ?        ?         ?        
1 1 1 7  17 7  o 266.9638 4.462554 713.1024   23.82681 713.1024   23.82681 ?          ?        266.9638 4.462554 ?        ?        ?         ?        
1 1 1 7  17 8  o 672.9645 13.40360 4545.248   180.4030 4545.248   180.4030 ?          ?        672.9645 13.40360 ?        ?        ?         ?        
1 1 1 7  17 9  o 826.4854 17.60633 6870.063   291.0274 6870.063   291.0274 ?          ?        826.4854 17.60633 ?        ?        ?         ?        
1 1 1 7  17 10 o 502.3800 10.10665 2529.045   101.5476 2529.045   101.5476 ?          ?        502.3800 10.10665 ?        ?        ?         ?        
1 1 1 7  17 11 o 42.74931 14.47895 17.01915   14.74993 17.01915   14.74993 ?          ?        42.74931 14.47895 ?        ?        ?         ?        
1 1 1 7  17 12 o 501.8424 13.00011 2532.449   130.4801 2532.449   130.4801 ?          ?        501.8424 13.00011 ?        ?        ?         ?        
1 1 1 7  17 13 o 339.4384 10.27852 1156.735   69.77851 1156.735   69.77851 ?          ?        339.4384 10.27852 ?        ?        ?         ?        
1 1 1 7  17 14 o 149.2245 12.73565 224.6528   38.00943 224.6528   38.00943 ?          ?        149.2245 12.73565 ?        ?        ?         ?        
1 1 1 7  17 15 o 486.7173 14.22000 2408.777   138.4224 2408.777   138.4224 ?          ?        486.7173 14.22000 ?        ?        ?         ?        
1 1 1 7  17 16 o 257.8079 8.801980 671.1218   45.38440 671.1218   45.38440 ?          ?        257.8079 8.801980 ?        ?        ?         ?        
1 1 1 7  17 17 o 137.3326 9.914119 191.7491   27.23064 191.7491   27.23064 ?          ?        137.3326 9.914119 ?        ?        ?         ?        
1 1 1 7  17 18 o 73.67835 16.90423 60.13433   24.39412 60.13433   24.39412 ?          ?        73.67835 16.90423 ?        ?        ?         ?        
1 1 1 7  17 19 f 113.0081 12.04809 133.8840   27.23064 133.8840   27.23064 ?          ?        113.0081 12.04809 ?        ?        ?         ?        
1 1 1 7  18 0  o 31.88798 14.28538 14.74993   9.644185 14.74993   9.644185 14.74993   9.644185 31.88798 14.28538 31.88798 14.28538 -0.000000 0.000000 
1 1 1 7  18 1  o 338.9773 5.439128 1149.927   36.87482 1149.927   36.87482 ?          ?        338.9773 5.439128 ?        ?        ?         ?        
1 1 1 7  18 2  f 229.8896 3.948365 528.7282   18.15376 528.7282   18.15376 ?          ?        229.8896 3.948365 ?        ?        ?         ?        
1 1 1 7  18 3  o 680.1736 10.09212 4641.689   137.2878 4641.689   137.2878 ?          ?        680.1736 10.09212 ?        ?        ?         ?        
1 1 1 7  18 4  f 200.5058 3.819649 402.2192   15.31723 402.2192   15.31723 ?          ?        200.5058 3.819649 ?        ?        ?         ?        
1 1 1 7  18 5  o 328.5138 5.180650 1080.149   34.03830 1080.149   34.03830 ?          ?        328.5138 5.180650 ?        ?        ?         ?        
1 1 1 7  18 6  o 324.2219 5.161741 1052.351   33.47099 1052.351   33.47099 ?          ?        324.2219 5.161741 ?        ?        ?         ?        
1 1 1 7  18 7  o 291.3904 7.398180 850.3901   43.11518 850.3901   43.11518 ?          ?        291.3904 7.398180 ?        ?        ?         ?        
1 1 1 7  18 8  o 274.9809 6.704978 756.7847   36.87482 756.7847   36.87482 ?          ?        274.9809 6.704978 ?        ?        ?         ?        
1 1 1 7  18 9  o 337.8471 7.052542 1142.552   47.65361 1142.552   47.65361 ?          ?        337.8471 7.052542 ?        ?        ?         ?        
1 1 1 7  18 10 o 107.5520 4.747232 115.7302   10.21149 115.7302   10.21149 ?          ?        107.5520 4.747232 ?        ?        ?         ?        
1 1 1 7  18 11 o 103.4969 5.755438 107.2206   11.91340 107.2206   11.91340 ?          ?        103.4969 5.755438 ?        ?        ?         ?        
1 1 1 7  18 12 f 328.1293 11.06500 1081.283   72.61504 1081.283   72.61504 ?          ?        328.1293 11.06500 ?        ?        ?         ?        
1 1 1 7  18 13 o 269.9680 10.19168 731.8234   55.02858 731.8234   55.02858 ?          ?        269.9680 10.19168 ?        ?        ?         ?        
1 1 1 7  18 14 o 101.3591 9.514866 103.2495   19.28837 103.2495   19.28837 ?          ?        101.3591 9.514866 ?        ?        ?         ?        
1 1 1 7  18 15 o 447.6556 13.11635 2034.923   117.4321 2034.923   117.4321 ?          ?        447.6556 13.11635 ?        ?        ?         ?        
1 1 1 7  18 16 o 50.22404 18.08448 22.69220   23.25950 22.69220   23.25950 ?          ?        50.22404 18.08448 ?        ?        ?         ?        
1 1 1 7  18 17 o 57.85717 17.57469 35.74022   22.12490 35.74022   22.12490 ?          ?        57.85717 17.57469 ?        ?        ?         ?        
1 1 1 7  18 18 o 125.8018 9.920927 162.2492   24.96142 162.2492   24.96142 ?          ?        125.8018 9.920927 ?        ?        ?         ?        
1 1 1 7  18 19 o 112.9107 12.56092 134.4513   28.36525 134.4513   28.36525 ?          ?        112.9107 12.56092 ?        ?        ?         ?        
1 1 1 7  19 0  o 125.2331 5.229203 157.7108   13.04801 157.7108   13.04801 157.7108   13.04801 125.2331 5.229203 125.2331 5.229203 -0.000000 0.000000 
1 1 1 7  19 1  o 345.9113 5.494101 1197.581   38.00943 1197.581   38.00943 ?          ?        345.9113 5.494101 ?        ?        ?         ?        
1 1 1 7  19 2  o 446.8597 6.792024 1999.750   60.70163 1999.750   60.70163 ?          ?        446.8597 6.792024 ?        ?        ?         ?        
1 1 1 7  19 3  o 132.7955 3.844819 176.4319   10.21149 176.4319   10.21149 ?          ?        132.7955 3.844819 ?        ?        ?         ?        
1 1 1 7  19 4  o 442.1300 6.800525 1957.770   60.13433 1957.770   60.13433 ?          ?        442.1300 6.800525 ?        ?        ?         ?        
1 1 1 7  19 5  o 314.9483 5.133602 992.7838   32.33638 992.7838   32.33638 ?          ?        314.9483 5.133602 ?        ?        ?         ?        
1 1 1 7  19 6  o 556.8257 8.965612 3111.101   99.84568 3111.101   99.84568 ?          ?        556.8257 8.965612 ?        ?        ?         ?        
1 1 1 7  19 7  o 323.8378 7.970773 1050.649   51.62476 1050.649   51.62476 ?          ?        323.8378 7.970773 ?        ?        ?         ?        
1 1 1 7  19 8  o 380.3313 8.353001 1448.330   63.53815 1448.330   63.53815 ?          ?        380.3313 8.353001 ?        ?        ?         ?        
1 1 1 7  19 9  o 262.3394 5.730584 688.7083   30.06716 688.7083   30.06716 ?          ?        262.3394 5.730584 ?        ?        ?         ?        
1 1 1 7  19 10 o 352.8199 8.602355 1246.936   60.70163 1246.936   60.70163 ?          ?        352.8199 8.602355 ?        ?        ?         ?        
1 1 1 7  19 11 o 142.0453 5.591363 201.9606   15.88454 201.9606   15.88454 ?          ?        142.0453 5.591363 ?        ?        ?         ?        
1 1 1 7  19 12 o 581.5914 37.94445 3562.108   441.3633 3562.108   441.3633 ?          ?        581.5914 37.94445 ?        ?        ?         ?        
1 1 1 7  19 13 o 61.11523 16.04132 39.14404   19.85567 39.14404   19.85567 ?          ?        61.11523 16.04132 ?        ?        ?         ?        
1 1 1 7  19 14 o 326.3553 9.386847 1070.505   61.26894 1070.505   61.26894 ?          ?        326.3553 9.386847 ?        ?        ?         ?        
1 1 1 7  19 15 o 112.7215 10.06560 128.2109   22.69220 128.2109   22.69220 ?          ?        112.7215 10.06560 ?        ?        ?         ?        
1 1 1 7  19 16 o 296.5670 9.660176 891.2361   57.29780 891.2361   57.29780 ?          ?        296.5670 9.660176 ?        ?        ?         ?        
1 1 1 7  19 17 o 201.1022 8.745032 410.1615   35.17290 410.1615   35.17290 ?          ?        201.1022 8.745032 ?        ?        ?         ?        
1 1 1 7  19 18 o 93.62624 13.33036 91.90340   24.96142 91.90340   24.96142 ?          ?        93.62624 13.33036 ?        ?        ?         ?        
1 1 1 7  19 19 o 139.0800 10.80931 201.3933   30.06716 201.3933   30.06716 ?          ?        139.0800 10.80931 ?        ?        ?         ?        
1 1 1 7  20 0  o 62.69013 8.378899 41.41326   10.21149 41.41326   10.21149 41.41326   10.21149 62.69013 8.378899 62.69013 8.378899 -0.000000 0.000000 
1 1 1 7  20 1  o 132.3720 3.642834 175.2972   9.644185 175.2972   9.644185 ?          ?        132.3720 3.642834 ?        ?        ?         ?        
1 1 1 7  20 2  o 133.6472 3.820315 178.7011   10.21149 178.7011   10.21149 ?          ?        133.6472 3.820315 ?        ?        ?         ?        
1 1 1 7  20 3  f 349.8790 5.512869 1225.379   38.57674 1225.379   38.57674 ?          ?        349.8790 5.512869 ?        ?        ?         ?        
1 1 1 7  20 4  o 749.7488 11.04724 5643.550   165.6530 5643.550   165.6530 ?          ?        749.7488 11.04724 ?        ?        ?         ?        
1 1 1 7  20 5  o 179.3080 3.638437 321.6619   13.04801 321.6619   13.04801 ?          ?        179.3080 3.638437 ?        ?        ?         ?        
1 1 1 7  20 6  o 284.8064 4.780552 811.8134   27.23064 811.8134   27.23064 ?          ?        284.8064 4.780552 ?        ?        ?         ?        
1 1 1 7  20 7  o 287.2096 7.012066 825.9961   40.27865 825.9961   40.27865 ?          ?        287.2096 7.012066 ?        ?        ?         ?        
1 1 1 7  20 8  o 1173.394 23.32759 13897.27   547.4493 13897.27   547.4493 ?          ?        1173.394 23.32759 ?        ?        ?         ?        
1 1 1 7  20 9  o 115.4351 4.668768 133.3167   10.77879 133.3167   10.77879 ?          ?        115.4351 4.668768 ?        ?        ?         ?        
1 1 1 7  20 10 o 841.3892 21.20510 7156.552   356.8348 7156.552   356.8348 ?          ?        841.3892 21.20510 ?        ?        ?         ?        
1 1 1 7  20 11 f 404.4956 10.65900 1641.781   86.23035 1641.781   86.23035 ?          ?        404.4956 10.65900 ?        ?        ?         ?        
1 1 1 7  20 12 o 210.5250 7.679940 444.1998   32.33638 444.1998   32.33638 ?          ?        210.5250 7.679940 ?        ?        ?         ?        
1 1 1 7  20 13 o 205.3372 7.183270 422.6422   29.49986 422.6422   29.49986 ?          ?        205.3372 7.183270 ?        ?        ?         ?        
1 1 1 7  20 14 o 249.5004 8.185549 625.1701   40.84595 625.1701   40.84595 ?          ?        249.5004 8.185549 ?        ?        ?         ?        
1 1 1 7  20 15 o 49.62884 17.03458 23.25950   20.42298 23.25950   20.42298 ?          ?        49.62884 17.03458 ?        ?        ?         ?        
1 1 1 7  20 16 o 79.63293 15.15026 67.50929   23.25950 67.50929   23.25950 ?          ?        79.63293 15.15026 ?        ?        ?         ?        
1 1 1 7  20 17 o 54.63856 18.82485 30.06716   24.96142 30.06716   24.96142 ?          ?        54.63856 18.82485 ?        ?        ?         ?        
1 1 1 7  20 18 o 94.15889 14.15869 93.60532   26.66333 93.60532   26.66333 ?          ?        94.15889 14.15869 ?        ?        ?         ?        
1 1 1 7  20 19 o 165.8578 9.748227 284.2198   32.33638 284.2198   32.33638 ?          ?        165.8578 9.748227 ?        ?        ?         ?        
1 1 1 7  21 0  o 103.4228 6.638475 108.3553   13.61532 108.3553   13.61532 108.3553   13.61532 103.4228 6.638475 103.4228 6.638475 -0.000000 0.000000 
1 1 1 7  21 1  o 253.6751 4.249055 643.8912   21.55759 643.8912   21.55759 ?          ?        253.6751 4.249055 ?        ?        ?         ?        
1 1 1 7  21 2  o 490.0043 7.409633 2405.373   72.61504 2405.373   72.61504 ?          ?        490.0043 7.409633 ?        ?        ?         ?        
1 1 1 7  21 3  o 316.7440 5.104499 1004.130   32.33638 1004.130   32.33638 ?          ?        316.7440 5.104499 ?        ?        ?         ?        
1 1 1 7  21 4  o 525.5795 7.879543 2767.881   82.82652 2767.881   82.82652 ?          ?        525.5795 7.879543 ?        ?        ?         ?        
1 1 1 7  21 5  f 215.4813 4.080738 464.6228   17.58645 464.6228   17.58645 ?          ?        215.4813 4.080738 ?        ?        ?         ?        
1 1 1 7  21 6  o 516.9895 7.900732 2677.679   81.69191 2677.679   81.69191 ?          ?        516.9895 7.900732 ?        ?        ?         ?        
1 1 1 7  21 7  o 99.04078 4.868795 98.14376   9.644185 98.14376   9.644185 ?          ?        99.04078 4.868795 ?        ?        ?         ?        
1 1 1 7  21 8  o 959.6379 19.06509 9265.792   365.9117 9265.792   365.9117 ?          ?        959.6379 19.06509 ?        ?        ?         ?        
1 1 1 7  21 9  o 326.5825 7.035236 1067.668   45.95170 1067.668   45.95170 ?          ?        326.5825 7.035236 ?        ?        ?         ?        
1 1 1 7  21 10 o 158.9966 5.887251 253.0180   18.72106 253.0180   18.72106 ?          ?        158.9966 5.887251 ?        ?        ?         ?        
1 1 1 7  21 11 o 187.7546 5.740895 352.8637   21.55759 352.8637   21.55759 ?          ?        187.7546 5.740895 ?        ?        ?         ?        
1 1 1 7  21 12 o 132.5249 5.993038 175.8645   15.88454 175.8645   15.88454 ?          ?        132.5249 5.993038 ?        ?        ?         ?        
1 1 1 7  21 13 o 96.20491 10.61431 93.03801   20.42298 93.03801   20.42298 ?          ?        96.20491 10.61431 ?        ?        ?         ?        
1 1 1 7  21 14 o 380.7207 10.35607 1460.243   78.85539 1460.243   78.85539 ?          ?        380.7207 10.35607 ?        ?        ?         ?        
1 1 1 7  21 15 o 215.8255 7.885606 468.5939   34.03830 468.5939   34.03830 ?          ?        215.8255 7.885606 ?        ?        ?         ?        
1 1 1 7  21 16 o 224.5986 7.703877 508.8725   34.60560 508.8725   34.60560 ?          ?        224.5986 7.703877 ?        ?        ?         ?        
1 1 1 7  21 17 o 140.7537 8.665531 201.3933   24.39412 201.3933   24.39412 ?          ?        140.7537 8.665531 ?        ?        ?         ?        
1 1 1 7  21 18 o 230.5495 8.120193 541.2089   37.44213 541.2089   37.44213 ?          ?        230.5495 8.120193 ?        ?        ?         ?        
1 1 1 7  22 0  f 288.3326 6.796389 833.3709   39.14404 833.3709   39.14404 833.3709   39.14404 288.3326 6.796389 288.3326 6.796389 -0.000000 0.000000 
1 1 1 7  22 1  o 256.9952 4.525279 660.9103   23.25950 660.9103   23.25950 ?          ?        256.9952 4.525279 ?        ?        ?         ?        
1 1 1 7  22 2  o 654.7400 9.704334 4300.172   127.0763 4300.172   127.0763 ?          ?        654.7400 9.704334 ?        ?        ?         ?        
1 1 1 7  22 3  o 232.9356 4.262053 542.9108   19.85567 542.9108   19.85567 ?          ?        232.9356 4.262053 ?        ?        ?         ?        
1 1 1 7  22 4  o 153.5877 3.693688 235.9989   11.34610 235.9989   11.34610 ?          ?        153.5877 3.693688 ?        ?        ?         ?        
1 1 1 7  22 5  f 144.0424 4.135380 207.6336   11.91340 207.6336   11.91340 ?          ?        144.0424 4.135380 ?        ?        ?         ?        
1 1 1 7  22 6  o 193.8716 4.974522 376.1232   19.28837 376.1232   19.28837 ?          ?        193.8716 4.974522 ?        ?        ?         ?        
1 1 1 7  22 7  o 444.3446 9.064733 1977.625   80.55730 1977.625   80.55730 ?          ?        444.3446 9.064733 ?        ?        ?         ?        
1 1 1 7  22 8  f 105.6965 4.562208 111.7591   9.644185 111.7591   9.644185 ?          ?        105.6965 4.562208 ?        ?        ?         ?        
1 1 1 7  22 9  o 247.5358 6.531658 613.2567   32.33638 613.2567   32.33638 ?          ?        247.5358 6.531658 ?        ?        ?         ?        
1 1 1 7  22 10 o 127.5609 4.892060 162.8165   12.48071 162.8165   12.48071 ?          ?        127.5609 4.892060 ?        ?        ?         ?        
1 1 1 7  22 11 o 230.1854 6.038165 530.4301   27.79794 530.4301   27.79794 ?          ?        230.1854 6.038165 ?        ?        ?         ?        
1 1 1 7  22 12 o 221.4717 6.659962 491.2861   29.49986 491.2861   29.49986 ?          ?        221.4717 6.659962 ?        ?        ?         ?        
1 1 1 7  22 13 o 176.2286 8.047857 311.4504   28.36525 311.4504   28.36525 ?          ?        176.2286 8.047857 ?        ?        ?         ?        
1 1 1 7  22 14 f 187.1706 7.577380 351.7291   28.36525 351.7291   28.36525 ?          ?        187.1706 7.577380 ?        ?        ?         ?        
1 1 1 7  22 15 o 72.46982 14.60317 55.59589   20.42298 55.59589   20.42298 ?          ?        72.46982 14.60317 ?        ?        ?         ?        
1 1 1 7  22 16 o 367.2614 11.27624 1375.147   82.82652 1375.147   82.82652 ?          ?        367.2614 11.27624 ?        ?        ?         ?        
1 1 1 7  22 17 o 122.2827 9.510545 152.6050   23.25950 152.6050   23.25950 ?          ?        122.2827 9.510545 ?        ?        ?         ?        
1 1 1 7  22 18 o 138.2392 9.233536 195.7202   25.52872 195.7202   25.52872 ?          ?        138.2392 9.233536 ?        ?        ?         ?        
1 1 1 7  23 0  o 802.2555 16.70458 6474.084   267.7679 6474.084   267.7679 6474.084   267.7679 802.2555 16.70458 802.2555 16.70458 -0.000000 0.000000 
1 1 1 7  23 1  o 133.8625 3.602273 179.2684   9.644185 179.2684   9.644185 ?          ?        133.8625 3.602273 ?        ?        ?         ?        
1 1 1 7  23 2  o 232.9270 4.505764 542.9108   20.99029 542.9108   20.99029 ?          ?        232.9270 4.505764 ?        ?        ?         ?        
1 1 1 7  23 3  o 227.0236 4.123155 515.6802   18.72106 515.6802   18.72106 ?          ?        227.0236 4.123155 ?        ?        ?         ?        
1 1 1 7  23 4  o 674.6400 10.00671 4567.939   135.0186 4567.939   135.0186 ?          ?        674.6400 10.00671 ?        ?        ?         ?        
1 1 1 7  23 5  o 77.86173 5.828846 60.70163   9.076880 60.70163   9.076880 ?          ?        77.86173 5.828846 ?        ?        ?         ?        
1 1 1 7  23 6  f 259.2664 5.689103 672.8237   29.49986 672.8237   29.49986 ?          ?        259.2664 5.689103 ?        ?        ?         ?        
1 1 1 7  23 7  o 415.2796 8.537997 1726.876   70.91312 1726.876   70.91312 ?          ?        415.2796 8.537997 ?        ?        ?         ?        
1 1 1 7  23 8  o 783.6387 18.06223 6180.788   283.0852 6180.788   283.0852 ?          ?        783.6387 18.06223 ?        ?        ?         ?        
1 1 1 7  23 9  o 297.6288 6.957200 886.6976   41.41326 886.6976   41.41326 ?          ?        297.6288 6.957200 ?        ?        ?         ?        
1 1 1 7  23 10 o 583.4338 13.66159 3420.849   159.4127 3420.849   159.4127 ?          ?        583.4338 13.66159 ?        ?        ?         ?        
1 1 1 7  23 11 o 417.8221 10.11536 1751.271   84.52843 1751.271   84.52843 ?          ?        417.8221 10.11536 ?        ?        ?         ?        
1 1 1 7  23 12 o 583.5256 13.80527 3428.224   161.1146 3428.224   161.1146 ?          ?        583.5256 13.80527 ?        ?        ?         ?        
1 1 1 7  23 13 o 208.1055 6.815112 433.9883   28.36525 433.9883   28.36525 ?          ?        208.1055 6.815112 ?        ?        ?         ?        
1 1 1 7  23 14 o 149.8403 9.086556 225.7874   27.23064 225.7874   27.23064 ?          ?        149.8403 9.086556 ?        ?        ?         ?        
1 1 1 7  23 15 o 169.1102 7.883421 288.1909   26.66333 288.1909   26.66333 ?          ?        169.1102 7.883421 ?        ?        ?         ?        
1 1 1 7  23 16 o 216.4005 7.995732 473.1324   34.60560 473.1324   34.60560 ?          ?        216.4005 7.995732 ?        ?        ?         ?        
1 1 1 7  23 17 o 161.7652 8.066019 265.4987   26.09603 265.4987   26.09603 ?          ?        161.7652 8.066019 ?        ?        ?         ?        
1 1 1 7  23 18 o 212.3113 8.283335 460.0844   35.17290 460.0844   35.17290 ?          ?        212.3113 8.283335 ?        ?        ?         ?        
1 1 1 7  24 0  o 199.6917 5.692022 399.9500   22.69220 399.9500   22.69220 399.9500   22.69220 199.6917 5.692022 199.6917 5.692022 -0.000000 0.000000 
1 1 1 7  24 1  o 103.5149 4.384334 107.2206   9.076880 107.2206   9.076880 ?          ?        103.5149 4.384334 ?        ?        ?         ?        
1 1 1 7  24 2  o 259.9597 4.473674 676.2275   23.25950 676.2275   23.25950 ?          ?        259.9597 4.473674 ?        ?        ?         ?        
1 1 1 7  24 3  o 104.6001 4.610025 109.4899   9.644185 109.4899   9.644185 ?          ?        104.6001 4.610025 ?        ?        ?         ?        
1 1 1 7  24 4  o 370.9165 6.194346 1377.984   45.95170 1377.984   45.95170 ?          ?        370.9165 6.194346 ?        ?        ?         ?        
1 1 1 7  24 5  o 196.5067 4.041730 386.3347   15.88454 386.3347   15.88454 ?          ?        196.5067 4.041730 ?        ?        ?         ?        
1 1 1 7  24 6  o 461.8733 10.01040 2138.740   92.47070 2138.740   92.47070 ?          ?        461.8733 10.01040 ?        ?        ?         ?        
1 1 1 7  24 7  o 268.5439 6.020687 721.6119   32.33638 721.6119   32.33638 ?          ?        268.5439 6.020687 ?        ?        ?         ?        
1 1 1 7  24 8  o 1075.498 24.76525 11721.09   532.6994 11721.09   532.6994 ?          ?        1075.498 24.76525 ?        ?        ?         ?        
1 1 1 7  24 9  o 377.2640 8.646475 1425.637   65.24007 1425.637   65.24007 ?          ?        377.2640 8.646475 ?        ?        ?         ?        
1 1 1 7  24 10 o 493.4608 10.86415 2443.383   107.2206 2443.383   107.2206 ?          ?        493.4608 10.86415 ?        ?        ?         ?        
1 1 1 7  24 11 o 341.4066 8.059096 1168.081   55.02858 1168.081   55.02858 ?          ?        341.4066 8.059096 ?        ?        ?         ?        
1 1 1 7  24 12 o 261.4522 6.834941 684.7371   35.74022 684.7371   35.74022 ?          ?        261.4522 6.834941 ?        ?        ?         ?        
1 1 1 7  24 13 f 413.7949 10.41946 1721.771   86.23035 1721.771   86.23035 ?          ?        413.7949 10.41946 ?        ?        ?         ?        
1 1 1 7  24 14 o 368.1980 11.32459 1367.772   83.39383 1367.772   83.39383 ?          ?        368.1980 11.32459 ?        ?        ?         ?        
1 1 1 7  24 15 o 141.1768 7.835882 200.8260   22.12490 200.8260   22.12490 ?          ?        141.1768 7.835882 ?        ?        ?         ?        
1 1 1 7  24 16 o 73.77646 13.96444 57.86510   19.85567 57.86510   19.85567 ?          ?        73.77646 13.96444 ?        ?        ?         ?        
1 1 1 7  24 17 o 140.1099 8.502899 199.6914   23.82681 199.6914   23.82681 ?          ?        140.1099 8.502899 ?        ?        ?         ?        
1 1 1 7  24 18 o 68.28960 16.03948 52.19205   21.55759 52.19205   21.55759 ?          ?        68.28960 16.03948 ?        ?        ?         ?        
1 1 1 7  25 0  o 69.76243 8.889532 49.35553   12.48071 49.35553   12.48071 49.35553   12.48071 69.76243 8.889532 69.76243 8.889532 -0.000000 0.000000 
1 1 1 7  25 1  o 162.3795 3.843068 263.7968   12.48071 263.7968   12.48071 ?          ?        162.3795 3.843068 ?        ?        ?         ?        
1 1 1 7  25 2  o 245.8339 4.499968 604.7471   22.12490 604.7471   22.12490 ?          ?        245.8339 4.499968 ?        ?        ?         ?        
1 1 1 7  25 3  o 303.7648 4.949087 923.5726   30.06716 923.5726   30.06716 ?          ?        303.7648 4.949087 ?        ?        ?         ?        
1 1 1 7  25 4  o 333.4496 6.209823 1113.620   41.41326 1113.620   41.41326 ?          ?        333.4496 6.209823 ?        ?        ?         ?        
1 1 1 7  25 5  o 170.5354 4.989916 291.0274   17.01915 291.0274   17.01915 ?          ?        170.5354 4.989916 ?        ?        ?         ?        
1 1 1 7  25 6  o 243.6142 6.287498 593.9683   30.63447 593.9683   30.63447 ?          ?        243.6142 6.287498 ?        ?        ?         ?        
1 1 1 7  25 7  o 525.0066 12.26444 2763.343   128.7782 2763.343   128.7782 ?          ?        525.0066 12.26444 ?        ?        ?         ?        
1 1 1 7  25 8  o 323.0914 6.935668 1044.976   44.81709 1044.976   44.81709 ?          ?        323.0914 6.935668 ?        ?        ?         ?        
1 1 1 7  25 9  o 122.5699 5.322682 150.3358   13.04801 150.3358   13.04801 ?          ?        122.5699 5.322682 ?        ?        ?         ?        
1 1 1 7  25 10 o 476.2041 10.60263 2275.460   100.9803 2275.460   100.9803 ?          ?        476.2041 10.60263 ?        ?        ?         ?        
1 1 1 7  25 11 o 400.1989 9.355880 1606.608   74.88425 1606.608   74.88425 ?          ?        400.1989 9.355880 ?        ?        ?         ?        
1 1 1 7  25 12 o 511.7878 12.24867 2634.564   125.3744 2634.564   125.3744 ?          ?        511.7878 12.24867 ?        ?        ?         ?        
1 1 1 7  25 13 o 173.0884 5.571826 300.1043   19.28837 300.1043   19.28837 ?          ?        173.0884 5.571826 ?        ?        ?         ?        
1 1 1 7  25 14 o 609.9736 17.62442 3810.020   215.0086 3810.020   215.0086 ?          ?        609.9736 17.62442 ?        ?        ?         ?        
1 1 1 7  25 15 o 240.3782 8.260182 582.6222   39.71135 582.6222   39.71135 ?          ?        240.3782 8.260182 ?        ?        ?         ?        
1 1 1 7  25 16 o 83.85764 12.17717 72.04772   20.42298 72.04772   20.42298 ?          ?        83.85764 12.17717 ?        ?        ?         ?        
1 1 1 7  25 17 o 141.7225 9.206735 205.3644   26.09603 205.3644   26.09603 ?          ?        141.7225 9.206735 ?        ?        ?         ?        
1 1 1 7  25 18 o 116.8649 9.708731 140.6916   22.69220 140.6916   22.69220 ?          ?        116.8649 9.708731 ?        ?        ?         ?        
1 1 1 7  26 0  f 647.1660 13.60066 4206.566   175.8645 4206.566   175.8645 4206.566   175.8645 647.1660 13.60066 647.1660 13.60066 -0.000000 0.000000 
1 1 1 7  26 1  o 123.4939 4.364099 152.6050   10.77879 152.6050   10.77879 ?          ?        123.4939 4.364099 ?        ?        ?         ?        
1 1 1 7  26 2  o 286.4939 4.752394 821.4576   27.23064 821.4576   27.23064 ?          ?        286.4939 4.752394 ?        ?        ?         ?        
1 1 1 7  26 3  o 210.4080 4.313942 443.0652   18.15376 443.0652   18.15376 ?          ?        210.4080 4.313942 ?        ?        ?         ?        
1 1 1 7  26 4  o 493.1107 9.433785 2438.277   93.03801 2438.277   93.03801 ?          ?        493.1107 9.433785 ?        ?        ?         ?        
1 1 1 7  26 5  o 286.1318 6.641943 819.7557   38.00943 819.7557   38.00943 ?          ?        286.1318 6.641943 ?        ?        ?         ?        
1 1 1 7  26 6  o 1052.507 24.28210 11199.73   511.1418 11199.73   511.1418 ?          ?        1052.507 24.28210 ?        ?        ?         ?        
1 1 1 7  26 7  o 305.7192 7.051434 935.4859   43.11518 935.4859   43.11518 ?          ?        305.7192 7.051434 ?        ?        ?         ?        
1 1 1 7  26 8  o 303.4479 7.571597 921.8705   45.95170 921.8705   45.95170 ?          ?        303.4479 7.571597 ?        ?        ?         ?        
1 1 1 7  26 9  o 195.6121 5.510290 382.9308   21.55759 382.9308   21.55759 ?          ?        195.6121 5.510290 ?        ?        ?         ?        
1 1 1 7  26 10 o 401.3853 9.116222 1615.117   73.18234 1615.117   73.18234 ?          ?        401.3853 9.116222 ?        ?        ?         ?        
1 1 1 7  26 11 o 181.1283 5.637709 328.4696   20.42298 328.4696   20.42298 ?          ?        181.1283 5.637709 ?        ?        ?         ?        
1 1 1 7  26 12 o 454.5453 11.79427 2078.605   107.2206 2078.605   107.2206 ?          ?        454.5453 11.79427 ?        ?        ?         ?        
1 1 1 7  26 13 o 132.2760 5.789878 175.2972   15.31723 175.2972   15.31723 ?          ?        132.2760 5.789878 ?        ?        ?         ?        
1 1 1 7  26 14 o 18.61774 9.000126 -16.45185  10.21149 -16.45185  10.21149 ?          ?        18.61774 9.000126 ?        ?        ?         ?        
1 1 1 7  26 15 o 122.8917 10.61749 153.1723   26.09603 153.1723   26.09603 ?          ?        122.8917 10.61749 ?        ?        ?         ?        
1 1 1 7  26 16 o 138.2695 8.410933 193.4510   23.25950 193.4510   23.25950 ?          ?        138.2695 8.410933 ?        ?        ?         ?        
1 1 1 7  26 17 o 170.0748 8.339051 294.4313   28.36525 294.4313   28.36525 ?          ?        170.0748 8.339051 ?        ?        ?         ?        
1 1 1 7  26 18 o 192.7431 8.241301 379.5270   31.76908 379.5270   31.76908 ?          ?        192.7431 8.241301 ?        ?        ?         ?        
1 1 1 7  27 0  f 1403.354 29.05286 20021.89   814.6500 20021.89   814.6500 20021.89   814.6500 1403.354 29.05286 1403.354 29.05286 -0.000000 0.000000 
1 1 1 7  27 1  o 134.6951 4.001182 181.5376   10.77879 181.5376   10.77879 ?          ?        134.6951 4.001182 ?        ?        ?         ?        
1 1 1 7  27 2  o 247.7657 4.464883 614.3914   22.12490 614.3914   22.12490 ?          ?        247.7657 4.464883 ?        ?        ?         ?        
1 1 1 7  27 3  o 140.6424 5.042088 197.9895   14.18262 197.9895   14.18262 ?          ?        140.6424 5.042088 ?        ?        ?         ?        
1 1 1 7  27 4  o 443.1779 9.024593 1968.548   79.99000 1968.548   79.99000 ?          ?        443.1779 9.024593 ?        ?        ?         ?        
1 1 1 7  27 5  o 570.0470 11.49444 3259.734   131.0475 3259.734   131.0475 ?          ?        570.0470 11.49444 ?        ?        ?         ?        
1 1 1 7  27 6  o 1146.624 29.06722 13341.88   666.5833 13341.88   666.5833 ?          ?        1146.624 29.06722 ?        ?        ?         ?        
1 1 1 7  27 7  o 225.0106 5.420660 506.6033   24.39412 506.6033   24.39412 ?          ?        225.0106 5.420660 ?        ?        ?         ?        
1 1 1 7  27 8  o 607.8441 17.35951 3716.982   211.0374 3716.982   211.0374 ?          ?        607.8441 17.35951 ?        ?        ?         ?        
1 1 1 7  27 9  o 332.0054 7.774685 1103.975   51.62476 1103.975   51.62476 ?          ?        332.0054 7.774685 ?        ?        ?         ?        
1 1 1 7  27 10 o 888.9224 20.74131 8002.971   368.7482 8002.971   368.7482 ?          ?        888.9224 20.74131 ?        ?        ?         ?        
1 1 1 7  27 11 o 294.1917 7.713407 867.4093   45.38440 867.4093   45.38440 ?          ?        294.1917 7.713407 ?        ?        ?         ?        
1 1 1 7  27 12 o 125.4731 6.103791 157.7108   15.31723 157.7108   15.31723 ?          ?        125.4731 6.103791 ?        ?        ?         ?        
1 1 1 7  27 13 o 180.8892 5.801973 327.9023   20.99029 327.9023   20.99029 ?          ?        180.8892 5.801973 ?        ?        ?         ?        
1 1 1 7  27 14 o 242.7022 7.129230 591.6991   34.60560 591.6991   34.60560 ?          ?        242.7022 7.129230 ?        ?        ?         ?        
1 1 1 7  27 15 o 245.8844 9.459529 612.1221   46.51900 612.1221   46.51900 ?          ?        245.8844 9.459529 ?        ?        ?         ?        
1 1 1 7  27 16 o 194.5289 7.728201 382.3636   30.06716 382.3636   30.06716 ?          ?        194.5289 7.728201 ?        ?        ?         ?        
1 1 1 7  27 17 o 175.1538 8.745022 312.5851   30.63447 312.5851   30.63447 ?          ?        175.1538 8.745022 ?        ?        ?         ?        
1 1 1 7  27 18 o 205.6417 8.000246 431.7191   32.90369 431.7191   32.90369 ?          ?        205.6417 8.000246 ?        ?        ?         ?        
1 1 1 7  28 0  o 241.8320 6.461336 586.5934   31.20177 586.5934   31.20177 586.5934   31.20177 241.8320 6.461336 241.8320 6.461336 -0.000000 0.000000 
1 1 1 7  28 1  o 337.6339 5.460771 1141.418   36.87482 1141.418   36.87482 ?          ?        337.6339 5.460771 ?        ?        ?         ?        
1 1 1 7  28 2  o 721.2261 13.45059 5237.927   194.0183 5237.927   194.0183 ?          ?        721.2261 13.45059 ?        ?        ?         ?        
1 1 1 7  28 3  o 134.2832 4.013456 180.4030   10.77879 180.4030   10.77879 ?          ?        134.2832 4.013456 ?        ?        ?         ?        
1 1 1 7  28 4  o 417.4893 8.628693 1746.732   72.04772 1746.732   72.04772 ?          ?        417.4893 8.628693 ?        ?        ?         ?        
1 1 1 7  28 5  o 410.3467 9.124511 1686.598   74.88425 1686.598   74.88425 ?          ?        410.3467 9.124511 ?        ?        ?         ?        
1 1 1 7  28 6  o 958.8425 22.00961 9269.196   422.0749 9269.196   422.0749 ?          ?        958.8425 22.00961 ?        ?        ?         ?        
1 1 1 7  28 7  o 474.5122 12.19465 2259.009   115.7302 2259.009   115.7302 ?          ?        474.5122 12.19465 ?        ?        ?         ?        
1 1 1 7  28 8  o 387.3757 10.03170 1503.926   77.72078 1503.926   77.72078 ?          ?        387.3757 10.03170 ?        ?        ?         ?        
1 1 1 7  28 9  o 87.78136 6.785840 77.15348   11.91340 77.15348   11.91340 ?          ?        87.78136 6.785840 ?        ?        ?         ?        
1 1 1 7  28 10 o 306.2475 7.409758 939.4571   45.38440 939.4571   45.38440 ?          ?        306.2475 7.409758 ?        ?        ?         ?        
1 1 1 7  28 11 o 351.1583 9.693150 1237.292   68.07660 1237.292   68.07660 ?          ?        351.1583 9.693150 ?        ?        ?         ?        
1 1 1 7  28 12 o 345.9538 8.199144 1200.417   56.73050 1200.417   56.73050 ?          ?        345.9538 8.199144 ?        ?        ?         ?        
1 1 1 7  28 13 o 242.6404 6.663437 590.5645   32.33638 590.5645   32.33638 ?          ?        242.6404 6.663437 ?        ?        ?         ?        
1 1 1 7  28 14 o 290.2387 7.232077 846.4190   41.98057 846.4190   41.98057 ?          ?        290.2387 7.232077 ?        ?        ?         ?        
1 1 1 7  28 15 o 191.2794 8.007780 369.3155   30.63447 369.3155   30.63447 ?          ?        191.2794 8.007780 ?        ?        ?         ?        
1 1 1 7  28 16 o 239.1777 9.013211 580.9203   43.11518 580.9203   43.11518 ?          ?        239.1777 9.013211 ?        ?        ?         ?        
1 1 1 7  28 17 o 124.4297 9.118484 158.2781   22.69220 158.2781   22.69220 ?          ?        124.4297 9.118484 ?        ?        ?         ?        
1 1 1 7  28 18 o 144.3867 8.643946 213.8740   24.96142 213.8740   24.96142 ?          ?        144.3867 8.643946 ?        ?        ?         ?        
1 1 1 7  29 0  o 667.3833 20.10122 4499.295   267.7679 4499.295   267.7679 4499.295   267.7679 667.3833 20.10122 667.3833 20.10122 -0.000000 0.000000 
1 1 1 7  29 1  o 266.1895 4.795215 709.1312   25.52872 709.1312   25.52872 ?          ?        266.1895 4.795215 ?        ?        ?         ?        
1 1 1 7  29 2  o 183.9866 4.162595 338.6811   15.31723 338.6811   15.31723 ?          ?        183.9866 4.162595 ?        ?        ?         ?        
1 1 1 7  29 3  o 143.6543 4.738917 206.4990   13.61532 206.4990   13.61532 ?          ?        143.6543 4.738917 ?        ?        ?         ?        
1 1 1 7  29 4  o 420.6783 8.630708 1772.828   72.61504 1772.828   72.61504 ?          ?        420.6783 8.630708 ?        ?        ?         ?        
1 1 1 7  29 5  o 741.0820 18.86980 5527.252   279.6813 5527.252   279.6813 ?          ?        741.0820 18.86980 ?        ?        ?         ?        
1 1 1 7  29 6  o 814.4031 18.80793 6675.478   306.3447 6675.478   306.3447 ?          ?        814.4031 18.80793 ?        ?        ?         ?        
1 1 1 7  29 7  o 532.0787 12.63453 2840.496   134.4513 2840.496   134.4513 ?          ?        532.0787 12.63453 ?        ?        ?         ?        
1 1 1 7  29 8  o 726.5190 22.72284 5344.013   330.1715 5344.013   330.1715 ?          ?        726.5190 22.72284 ?        ?        ?         ?        
1 1 1 7  29 9  o 322.8886 7.642811 1044.408   49.35553 1044.408   49.35553 ?          ?        322.8886 7.642811 ?        ?        ?         ?        
1 1 1 7  29 10 o 678.0000 14.93568 4630.911   202.5279 4630.911   202.5279 ?          ?        678.0000 14.93568 ?        ?        ?         ?        
1 1 1 7  29 11 o 168.1398 6.073212 283.0852   20.42298 283.0852   20.42298 ?          ?        168.1398 6.073212 ?        ?        ?         ?        
1 1 1 7  29 12 o 199.6919 5.823846 399.3827   23.25950 399.3827   23.25950 ?          ?        199.6919 5.823846 ?        ?        ?         ?        
1 1 1 7  29 13 o 289.6140 7.345618 841.8805   42.54787 841.8805   42.54787 ?          ?        289.6140 7.345618 ?        ?        ?         ?        
1 1 1 7  29 14 o 206.7700 6.310400 429.4498   26.09603 429.4498   26.09603 ?          ?        206.7700 6.310400 ?        ?        ?         ?        
1 1 1 7  29 15 f 21.48757 10.11542 -12.48071  11.34610 -12.48071  11.34610 ?          ?        21.48757 10.11542 ?        ?        ?         ?        
1 1 1 7  29 16 o 337.4355 10.92796 1168.081   73.74965 1168.081   73.74965 ?          ?        337.4355 10.92796 ?        ?        ?         ?        
1 1 1 7  29 17 o 192.4170 8.255269 377.2578   31.76908 377.2578   31.76908 ?          ?        192.4170 8.255269 ?        ?        ?         ?        
1 1 1 7  29 18 o 158.9286 10.35172 262.0949   32.90369 262.0949   32.90369 ?          ?        158.9286 10.35172 ?        ?        ?         ?        
1 1 1 7  30 0  o 1094.119 22.60233 12072.82   494.1226 12072.82   494.1226 12072.82   494.1226 1094.119 22.60233 1094.119 22.60233 -0.000000 0.000000 
1 1 1 7  30 1  o 309.0145 6.150105 955.9088   38.00943 955.9088   38.00943 ?          ?        309.0145 6.150105 ?        ?        ?         ?        
1 1 1 7  30 2  o 148.8904 4.572264 221.8162   13.61532 221.8162   13.61532 ?          ?        148.8904 4.572264 ?        ?        ?         ?        
1 1 1 7  30 3  o 184.8958 4.909187 342.0849   18.15376 342.0849   18.15376 ?          ?        184.8958 4.909187 ?        ?        ?         ?        
1 1 1 7  30 4  o 999.5950 25.22692 10115.62   504.3341 10115.62   504.3341 ?          ?        999.5950 25.22692 ?        ?        ?         ?        
1 1 1 7  30 5  o 916.2058 25.78924 8489.151   472.5651 8489.151   472.5651 ?          ?        916.2058 25.78924 ?        ?        ?         ?        
1 1 1 7  30 6  o 237.6088 6.207652 565.0358   29.49986 565.0358   29.49986 ?          ?        237.6088 6.207652 ?        ?        ?         ?        
1 1 1 7  30 7  o 174.1711 5.048616 303.5081   17.58645 303.5081   17.58645 ?          ?        174.1711 5.048616 ?        ?        ?         ?        
1 1 1 7  30 8  o 696.8632 19.41590 4902.082   270.6045 4902.082   270.6045 ?          ?        696.8632 19.41590 ?        ?        ?         ?        
1 1 1 7  30 9  o 137.3763 5.781398 188.9126   15.88454 188.9126   15.88454 ?          ?        137.3763 5.781398 ?        ?        ?         ?        
1 1 1 7  30 10 o 81.38321 7.667865 66.37468   12.48071 66.37468   12.48071 ?          ?        81.38321 7.667865 ?        ?        ?         ?        
1 1 1 7  30 11 o 177.6422 5.908024 315.9889   20.99029 315.9889   20.99029 ?          ?        177.6422 5.908024 ?        ?        ?         ?        
1 1 1 7  30 12 o 282.3562 7.032137 799.3326   39.71135 799.3326   39.71135 ?          ?        282.3562 7.032137 ?        ?        ?         ?        
1 1 1 7  30 13 f 249.2670 7.055266 623.4681   35.17290 623.4681   35.17290 ?          ?        249.2670 7.055266 ?        ?        ?         ?        
1 1 1 7  30 14 o 361.5782 8.629329 1319.551   62.40355 1319.551   62.40355 ?          ?        361.5782 8.629329 ?        ?        ?         ?        
1 1 1 7  30 15 o 227.2252 6.366493 519.6514   28.93255 519.6514   28.93255 ?          ?        227.2252 6.366493 ?        ?        ?         ?        
1 1 1 7  30 16 o 68.51365 16.35048 51.62476   22.12490 51.62476   22.12490 ?          ?        68.51365 16.35048 ?        ?        ?         ?        
1 1 1 7  30 17 f 107.4968 11.34643 119.7014   24.39412 119.7014   24.39412 ?          ?        107.4968 11.34643 ?        ?        ?         ?        
1 1 1 7  31 0  o 351.5513 14.82246 1246.369   103.8168 1246.369   103.8168 1246.369   103.8168 351.5513 14.82246 351.5513 14.82246 -0.000000 0.000000 
1 1 1 7  31 1  o 332.7921 6.989199 1109.081   46.51900 1109.081   46.51900 ?          ?        332.7921 6.989199 ?        ?        ?         ?        
1 1 1 7  31 2  o 419.6970 9.191568 1765.453   77.15348 1765.453   77.15348 ?          ?        419.6970 9.191568 ?        ?        ?         ?        
1 1 1 7  31 3  f 317.6548 7.947329 1010.370   50.49014 1010.370   50.49014 ?          ?        317.6548 7.947329 ?        ?        ?         ?        
1 1 1 7  31 4  o 1124.038 25.81553 12784.79   580.3530 12784.79   580.3530 ?          ?        1124.038 25.81553 ?        ?        ?         ?        
1 1 1 7  31 5  o 902.1152 22.95342 8214.009   414.1326 8214.009   414.1326 ?          ?        902.1152 22.95342 ?        ?        ?         ?        
1 1 1 7  31 6  o 903.8848 25.70144 8288.893   464.6228 8288.893   464.6228 ?          ?        903.8848 25.70144 ?        ?        ?         ?        
1 1 1 7  31 7  f 212.5571 5.871697 452.1420   24.96142 452.1420   24.96142 ?          ?        212.5571 5.871697 ?        ?        ?         ?        
1 1 1 7  31 8  o 602.9957 14.20625 3655.146   171.3261 3655.146   171.3261 ?          ?        602.9957 14.20625 ?        ?        ?         ?        
1 1 1 7  31 9  o 189.5541 5.836038 359.6714   22.12490 359.6714   22.12490 ?          ?        189.5541 5.836038 ?        ?        ?         ?        
1 1 1 7  31 10 o 188.0187 6.034558 353.9983   22.69220 353.9983   22.69220 ?          ?        188.0187 6.034558 ?        ?        ?         ?        
1 1 1 7  31 11 o 265.7061 6.832270 707.4293   36.30752 707.4293   36.30752 ?          ?        265.7061 6.832270 ?        ?        ?         ?        
1 1 1 7  31 12 o 409.6009 9.487380 1686.031   77.72078 1686.031   77.72078 ?          ?        409.6009 9.487380 ?        ?        ?         ?        
1 1 1 7  31 13 o 171.1181 6.796329 293.8640   23.25950 293.8640   23.25950 ?          ?        171.1181 6.796329 ?        ?        ?         ?        
1 1 1 7  31 14 o 19.41158 9.462834 -21.55759  11.91340 -21.55759  11.91340 ?          ?        19.41158 9.462834 ?        ?        ?         ?        
1 1 1 7  31 15 o 185.4814 5.964182 346.0561   22.12490 346.0561   22.12490 ?          ?        185.4814 5.964182 ?        ?        ?         ?        
1 1 1 7  31 16 o 79.45832 8.210603 64.10546   13.04801 64.10546   13.04801 ?          ?        79.45832 8.210603 ?        ?        ?         ?        
1 1 1 7  31 17 o 112.0915 10.62829 129.9128   23.82681 129.9128   23.82681 ?          ?        112.0915 10.62829 ?        ?        ?         ?        
1 1 1 7  32 0  o 308.4970 9.305259 955.3415   57.29780 955.3415   57.29780 955.3415   57.29780 308.4970 9.305259 308.4970 9.305259 -0.000000 0.000000 
1 1 1 7  32 1  o 259.2838 5.798119 672.8237   30.06716 672.8237   30.06716 ?          ?        259.2838 5.798119 ?        ?        ?         ?        
1 1 1 7  32 2  o 424.0251 9.298435 1801.193   78.85539 1801.193   78.85539 ?          ?        424.0251 9.298435 ?        ?        ?         ?        
1 1 1 7  32 3  o 154.5055 5.140443 238.8354   15.88454 238.8354   15.88454 ?          ?        154.5055 5.140443 ?        ?        ?         ?        
1 1 1 7  32 4  o 310.6982 6.938433 966.1203   43.11518 966.1203   43.11518 ?          ?        310.6982 6.938433 ?        ?        ?         ?        
1 1 1 7  32 5  o 571.3401 16.48276 3282.426   188.3452 3282.426   188.3452 ?          ?        571.3401 16.48276 ?        ?        ?         ?        
1 1 1 7  32 6  o 1165.073 33.25708 13876.28   774.9386 13876.28   774.9386 ?          ?        1165.073 33.25708 ?        ?        ?         ?        
1 1 1 7  32 7  o 334.4238 9.838919 1120.995   65.80738 1120.995   65.80738 ?          ?        334.4238 9.838919 ?        ?        ?         ?        
1 1 1 7  32 8  o 617.8520 17.49150 3851.434   216.1432 3851.434   216.1432 ?          ?        617.8520 17.49150 ?        ?        ?         ?        
1 1 1 7  32 9  o 134.6584 6.108735 181.5376   16.45185 181.5376   16.45185 ?          ?        134.6584 6.108735 ?        ?        ?         ?        
1 1 1 7  32 10 o 345.7845 8.367222 1198.715   57.86510 1198.715   57.86510 ?          ?        345.7845 8.367222 ?        ?        ?         ?        
1 1 1 7  32 11 o 166.0769 5.977857 276.2775   19.85567 276.2775   19.85567 ?          ?        166.0769 5.977857 ?        ?        ?         ?        
1 1 1 7  32 12 o 247.6534 6.643092 614.9586   32.90369 614.9586   32.90369 ?          ?        247.6534 6.643092 ?        ?        ?         ?        
1 1 1 7  32 13 o 144.4273 6.284741 209.3355   18.15376 209.3355   18.15376 ?          ?        144.4273 6.284741 ?        ?        ?         ?        
1 1 1 7  32 14 o 145.5470 5.846616 212.7394   17.01915 212.7394   17.01915 ?          ?        145.5470 5.846616 ?        ?        ?         ?        
1 1 1 7  32 15 f 230.4512 6.646627 534.9686   30.63447 534.9686   30.63447 ?          ?        230.4512 6.646627 ?        ?        ?         ?        
1 1 1 7  32 16 o 242.2329 7.377241 595.1030   35.74022 595.1030   35.74022 ?          ?        242.2329 7.377241 ?        ?        ?         ?        
1 1 1 7  32 17 o 248.3193 9.481002 634.2470   47.08631 634.2470   47.08631 ?          ?        248.3193 9.481002 ?        ?        ?         ?        
1 1 1 7  33 0  o 112.3808 8.945041 128.7782   19.85567 128.7782   19.85567 128.7782   19.85567 112.3808 8.945041 112.3808 8.945041 -0.000000 0.000000 
1 1 1 7  33 1  o 40.15328 13.31868 15.31723   12.48071 15.31723   12.48071 ?          ?        40.15328 13.31868 ?        ?        ?         ?        
1 1 1 7  33 2  o 652.6639 13.03822 4272.941   170.1915 4272.941   170.1915 ?          ?        652.6639 13.03822 ?        ?        ?         ?        
1 1 1 7  33 3  o 399.1427 8.812114 1595.261   70.34581 1595.261   70.34581 ?          ?        399.1427 8.812114 ?        ?        ?         ?        
1 1 1 7  33 4  o 326.5851 7.469451 1067.668   48.78823 1067.668   48.78823 ?          ?        326.5851 7.469451 ?        ?        ?         ?        
1 1 1 7  33 5  o 531.1760 13.67062 2833.121   145.2301 2833.121   145.2301 ?          ?        531.1760 13.67062 ?        ?        ?         ?        
1 1 1 7  33 6  o 545.6750 12.73557 2987.428   138.9897 2987.428   138.9897 ?          ?        545.6750 12.73557 ?        ?        ?         ?        
1 1 1 7  33 7  o 366.1738 10.45762 1344.513   76.58617 1344.513   76.58617 ?          ?        366.1738 10.45762 ?        ?        ?         ?        
1 1 1 7  33 8  o 560.6188 17.55693 3172.369   196.8548 3172.369   196.8548 ?          ?        560.6188 17.55693 ?        ?        ?         ?        
1 1 1 7  33 9  o 141.6205 6.209007 200.8260   17.58645 200.8260   17.58645 ?          ?        141.6205 6.209007 ?        ?        ?         ?        
1 1 1 7  33 10 o 442.1332 9.944092 1961.740   87.93227 1961.740   87.93227 ?          ?        442.1332 9.944092 ?        ?        ?         ?        
1 1 1 7  33 11 o 395.2433 9.257886 1568.031   73.18234 1568.031   73.18234 ?          ?        395.2433 9.257886 ?        ?        ?         ?        
1 1 1 7  33 12 f 468.7281 10.77173 2214.759   100.9803 2214.759   100.9803 ?          ?        468.7281 10.77173 ?        ?        ?         ?        
1 1 1 7  33 13 o 270.2503 7.032264 733.5253   38.00943 733.5253   38.00943 ?          ?        270.2503 7.032264 ?        ?        ?         ?        
1 1 1 7  33 14 o 138.3139 6.152362 192.3164   17.01915 192.3164   17.01915 ?          ?        138.3139 6.152362 ?        ?        ?         ?        
1 1 1 7  33 15 o 147.3409 5.967948 218.4124   17.58645 218.4124   17.58645 ?          ?        147.3409 5.967948 ?        ?        ?         ?        
1 1 1 7  33 16 o 159.6082 5.864695 256.9891   18.72106 256.9891   18.72106 ?          ?        159.6082 5.864695 ?        ?        ?         ?        
1 1 1 7  33 17 o 232.6998 9.507911 557.0934   44.24979 557.0934   44.24979 ?          ?        232.6998 9.507911 ?        ?        ?         ?        
1 1 1 7  34 0  o 1231.297 40.38691 15430.13   992.2164 15430.13   992.2164 15430.13   992.2164 1231.297 40.38691 1231.297 40.38691 -0.000000 0.000000 
1 1 1 7  34 1  o 328.4246 7.082144 1079.581   46.51900 1079.581   46.51900 ?          ?        328.4246 7.082144 ?        ?        ?         ?        
1 1 1 7  34 2  f 524.4204 12.16997 2757.102   127.6436 2757.102   127.6436 ?          ?        524.4204 12.16997 ?        ?        ?         ?        
1 1 1 7  34 3  o 514.6329 11.29907 2654.420   116.2975 2654.420   116.2975 ?          ?        514.6329 11.29907 ?        ?        ?         ?        
1 1 1 7  34 4  o 534.3025 12.52886 2864.323   133.8840 2864.323   133.8840 ?          ?        534.3025 12.52886 ?        ?        ?         ?        
1 1 1 7  34 5  o 426.5307 11.17238 1823.885   95.30723 1823.885   95.30723 ?          ?        426.5307 11.17238 ?        ?        ?         ?        
1 1 1 7  34 6  o 365.5955 9.543131 1339.407   69.77851 1339.407   69.77851 ?          ?        365.5955 9.543131 ?        ?        ?         ?        
1 1 1 7  34 7  o 593.0777 16.54821 3542.819   196.2875 3542.819   196.2875 ?          ?        593.0777 16.54821 ?        ?        ?         ?        
1 1 1 7  34 8  o 748.5855 23.41713 5695.174   350.5945 5695.174   350.5945 ?          ?        748.5855 23.41713 ?        ?        ?         ?        
1 1 1 7  34 9  o 311.5352 9.013942 973.4954   56.16319 973.4954   56.16319 ?          ?        311.5352 9.013942 ?        ?        ?         ?        
1 1 1 7  34 10 o 252.2374 7.646913 637.6508   38.57674 637.6508   38.57674 ?          ?        252.2374 7.646913 ?        ?        ?         ?        
1 1 1 7  34 11 o 404.7970 12.05252 1650.290   97.57646 1650.290   97.57646 ?          ?        404.7970 12.05252 ?        ?        ?         ?        
1 1 1 7  34 12 o 414.3796 10.33630 1729.713   85.66305 1729.713   85.66305 ?          ?        414.3796 10.33630 ?        ?        ?         ?        
1 1 1 7  34 13 o 170.7580 6.146208 292.7294   20.99029 292.7294   20.99029 ?          ?        170.7580 6.146208 ?        ?        ?         ?        
1 1 1 7  34 14 o 396.6701 10.08269 1596.963   79.99000 1596.963   79.99000 ?          ?        396.6701 10.08269 ?        ?        ?         ?        
1 1 1 7  34 15 o 51.45879 13.17302 28.36525   13.61532 28.36525   13.61532 ?          ?        51.45879 13.17302 ?        ?        ?         ?        
1 1 1 7  34 16 o 179.4828 6.005474 325.0657   21.55759 325.0657   21.55759 ?          ?        179.4828 6.005474 ?        ?        ?         ?        
1 1 1 7  34 17 o 129.4930 6.790506 170.1915   17.58645 170.1915   17.58645 ?          ?        129.4930 6.790506 ?        ?        ?         ?        
1 1 1 7  35 0  o 757.5222 21.49408 5774.597   325.0657 5774.597   325.0657 5774.597   325.0657 757.5222 21.49408 757.5222 21.49408 -0.000000 0.000000 
1 1 1 7  35 1  o 391.8779 8.106881 1537.396   63.53815 1537.396   63.53815 ?          ?        391.8779 8.106881 ?        ?        ?         ?        
1 1 1 7  35 2  o 261.5761 6.506384 684.7371   34.03830 684.7371   34.03830 ?          ?        261.5761 6.506384 ?        ?        ?         ?        
1 1 1 7  35 3  o 392.0348 9.333654 1539.666   73.18234 1539.666   73.18234 ?          ?        392.0348 9.333654 ?        ?        ?         ?        
1 1 1 7  35 4  o 127.3308 5.791972 162.2492   14.74993 162.2492   14.74993 ?          ?        127.3308 5.791972 ?        ?        ?         ?        
1 1 1 7  35 5  o 535.7376 12.76003 2879.640   136.7205 2879.640   136.7205 ?          ?        535.7376 12.76003 ?        ?        ?         ?        
1 1 1 7  35 6  o 96.67447 7.922069 93.60532   15.31723 93.60532   15.31723 ?          ?        96.67447 7.922069 ?        ?        ?         ?        
1 1 1 7  35 7  o 679.3414 21.58684 4679.131   293.2967 4679.131   293.2967 ?          ?        679.3414 21.58684 ?        ?        ?         ?        
1 1 1 7  35 8  o 456.3167 11.00255 2089.951   100.4130 2089.951   100.4130 ?          ?        456.3167 11.00255 ?        ?        ?         ?        
1 1 1 7  35 9  o 337.1693 8.244505 1139.716   55.59589 1139.716   55.59589 ?          ?        337.1693 8.244505 ?        ?        ?         ?        
1 1 1 7  35 10 o 198.8283 6.134466 395.9789   24.39412 395.9789   24.39412 ?          ?        198.8283 6.134466 ?        ?        ?         ?        
1 1 1 7  35 11 o 436.3076 10.01186 1914.087   87.36497 1914.087   87.36497 ?          ?        436.3076 10.01186 ?        ?        ?         ?        
1 1 1 7  35 12 o 335.2512 12.26830 1135.745   82.25922 1135.745   82.25922 ?          ?        335.2512 12.26830 ?        ?        ?         ?        
1 1 1 7  35 13 o 119.3474 7.843096 143.5282   18.72106 143.5282   18.72106 ?          ?        119.3474 7.843096 ?        ?        ?         ?        
1 1 1 7  35 14 o 79.77277 10.31169 64.67276   16.45185 64.67276   16.45185 ?          ?        79.77277 10.31169 ?        ?        ?         ?        
1 1 1 7  35 15 o 67.33606 10.95247 46.51900   14.74993 46.51900   14.74993 ?          ?        67.33606 10.95247 ?        ?        ?         ?        
1 1 1 7  35 16 o 56.73756 11.88122 34.60560   13.04801 34.60560   13.04801 ?          ?        56.73756 11.88122 ?        ?        ?         ?        
1 1 1 7  35 17 o 50.41700 12.43809 27.79794   12.48071 27.79794   12.48071 ?          ?        50.41700 12.43809 ?        ?        ?         ?        
1 1 1 7  36 0  o 1059.210 34.73482 11381.27   734.0926 11381.27   734.0926 11381.27   734.0926 1059.210 34.73482 1059.210 34.73482 -0.000000 0.000000 
1 1 1 7  36 1  o 711.0511 14.24144 5075.677   202.5279 5075.677   202.5279 ?          ?        711.0511 14.24144 ?        ?        ?         ?        
1 1 1 7  36 2  o 231.5742 6.001952 536.6705   27.79794 536.6705   27.79794 ?          ?        231.5742 6.001952 ?        ?        ?         ?        
1 1 1 7  36 3  f 404.6638 8.411499 1640.079   68.07660 1640.079   68.07660 ?          ?        404.6638 8.411499 ?        ?        ?         ?        
1 1 1 7  36 4  o 613.4636 14.42621 3778.818   176.9992 3778.818   176.9992 ?          ?        613.4636 14.42621 ?        ?        ?         ?        
1 1 1 7  36 5  o 466.6483 13.19036 2186.393   123.1052 2186.393   123.1052 ?          ?        466.6483 13.19036 ?        ?        ?         ?        
1 1 1 7  36 6  o 668.2276 18.46509 4504.401   246.7777 4504.401   246.7777 ?          ?        668.2276 18.46509 ?        ?        ?         ?        
1 1 1 7  36 7  o 247.7573 7.785187 614.9586   38.57674 614.9586   38.57674 ?          ?        247.7573 7.785187 ?        ?        ?         ?        
1 1 1 7  36 8  o 200.5762 5.939591 402.7865   23.82681 402.7865   23.82681 ?          ?        200.5762 5.939591 ?        ?        ?         ?        
1 1 1 7  36 9  o 95.15404 8.346750 90.76879   15.88454 90.76879   15.88454 ?          ?        95.15404 8.346750 ?        ?        ?         ?        
1 1 1 7  36 10 o 136.6850 6.640727 187.2106   18.15376 187.2106   18.15376 ?          ?        136.6850 6.640727 ?        ?        ?         ?        
1 1 1 7  36 11 f 405.5299 9.442728 1653.127   76.58617 1653.127   76.58617 ?          ?        405.5299 9.442728 ?        ?        ?         ?        
1 1 1 7  36 12 o 132.1702 6.438345 175.2972   17.01915 175.2972   17.01915 ?          ?        132.1702 6.438345 ?        ?        ?         ?        
1 1 1 7  36 13 o 79.68018 8.899720 64.10546   14.18262 64.10546   14.18262 ?          ?        79.68018 8.899720 ?        ?        ?         ?        
1 1 1 7  36 14 o 100.6091 7.330317 102.1149   14.74993 102.1149   14.74993 ?          ?        100.6091 7.330317 ?        ?        ?         ?        
1 1 1 7  36 15 o 151.4147 7.306056 232.0277   22.12490 232.0277   22.12490 ?          ?        151.4147 7.306056 ?        ?        ?         ?        
1 1 1 7  36 16 o 282.4024 9.240723 816.3518   52.19205 816.3518   52.19205 ?          ?        282.4024 9.240723 ?        ?        ?         ?        
1 1 1 7  36 17 o 208.3286 7.488594 442.4978   31.20177 442.4978   31.20177 ?          ?        208.3286 7.488594 ?        ?        ?         ?        
1 1 1 7  37 0  o 451.7093 13.33826 2049.673   120.2687 2049.673   120.2687 2049.673   120.2687 451.7093 13.33826 451.7093 13.33826 -0.000000 0.000000 
1 1 1 7  37 1  o 178.4927 5.720958 318.8254   20.42298 318.8254   20.42298 ?          ?        178.4927 5.720958 ?        ?        ?         ?        
1 1 1 7  37 2  o 350.9798 7.354377 1233.321   51.62476 1233.321   51.62476 ?          ?        350.9798 7.354377 ?        ?        ?         ?        
1 1 1 7  37 3  o 230.5999 5.904304 532.1321   27.23064 532.1321   27.23064 ?          ?        230.5999 5.904304 ?        ?        ?         ?        
1 1 1 7  37 4  o 471.7068 11.30505 2231.210   106.6533 2231.210   106.6533 ?          ?        471.7068 11.30505 ?        ?        ?         ?        
1 1 1 7  37 5  o 363.6122 9.673191 1325.224   70.34581 1325.224   70.34581 ?          ?        363.6122 9.673191 ?        ?        ?         ?        
1 1 1 7  37 6  o 104.8270 7.305962 110.0572   15.31723 110.0572   15.31723 ?          ?        104.8270 7.305962 ?        ?        ?         ?        
1 1 1 7  37 7  o 424.2399 12.36935 1808.001   104.9514 1808.001   104.9514 ?          ?        424.2399 12.36935 ?        ?        ?         ?        
1 1 1 7  37 8  o 463.2964 14.87764 2164.268   137.8551 2164.268   137.8551 ?          ?        463.2964 14.87764 ?        ?        ?         ?        
1 1 1 7  37 9  o 42.40778 14.19776 17.01915   14.18262 17.01915   14.18262 ?          ?        42.40778 14.19776 ?        ?        ?         ?        
1 1 1 7  37 10 o 397.0875 9.286322 1582.781   73.74965 1582.781   73.74965 ?          ?        397.0875 9.286322 ?        ?        ?         ?        
1 1 1 7  37 11 o 299.8520 7.473203 902.5823   44.81709 902.5823   44.81709 ?          ?        299.8520 7.473203 ?        ?        ?         ?        
1 1 1 7  37 12 o 461.5843 10.56973 2151.788   97.57646 2151.788   97.57646 ?          ?        461.5843 10.56973 ?        ?        ?         ?        
1 1 1 7  37 13 o 333.0009 8.858794 1119.860   58.99971 1119.860   58.99971 ?          ?        333.0009 8.858794 ?        ?        ?         ?        
1 1 1 7  37 14 o 210.7052 6.461788 447.0363   27.23064 447.0363   27.23064 ?          ?        210.7052 6.461788 ?        ?        ?         ?        
1 1 1 7  37 15 o 85.23239 7.987175 73.74965   13.61532 73.74965   13.61532 ?          ?        85.23239 7.987175 ?        ?        ?         ?        
1 1 1 7  37 16 o 66.75336 10.19823 45.95170   13.61532 45.95170   13.61532 ?          ?        66.75336 10.19823 ?        ?        ?         ?        
1 1 1 7  38 0  o 952.5553 26.93717 9164.244   512.2764 9164.244   512.2764 9164.244   512.2764 952.5553 26.93717 952.5553 26.93717 -0.000000 0.000000 
1 1 1 7  38 1  o 545.1172 11.81198 2980.053   128.7782 2980.053   128.7782 ?          ?        545.1172 11.81198 ?        ?        ?         ?        
1 1 1 7  38 2  o 370.9808 7.951856 1377.984   58.99971 1377.984   58.99971 ?          ?        370.9808 7.951856 ?        ?        ?         ?        
1 1 1 7  38 3  o 447.2911 10.59041 2005.423   94.73994 2005.423   94.73994 ?          ?        447.2911 10.59041 ?        ?        ?         ?        
1 1 1 7  38 4  o 287.5060 7.399475 827.6979   42.54787 827.6979   42.54787 ?          ?        287.5060 7.399475 ?        ?        ?         ?        
1 1 1 7  38 5  o 38.13307 15.08545 7.942269   17.01915 7.942269   17.01915 ?          ?        38.13307 15.08545 ?        ?        ?         ?        
1 1 1 7  38 6  o 136.5317 6.440430 186.6433   17.58645 186.6433   17.58645 ?          ?        136.5317 6.440430 ?        ?        ?         ?        
1 1 1 7  38 7  o 257.9984 6.706553 666.5833   34.60560 666.5833   34.60560 ?          ?        257.9984 6.706553 ?        ?        ?         ?        
1 1 1 7  38 8  o 562.3542 15.93910 3192.225   179.2684 3192.225   179.2684 ?          ?        562.3542 15.93910 ?        ?        ?         ?        
1 1 1 7  38 9  o 355.6031 8.614792 1268.494   61.26894 1268.494   61.26894 ?          ?        355.6031 8.614792 ?        ?        ?         ?        
1 1 1 7  38 10 o 374.5418 8.860783 1408.618   66.37468 1408.618   66.37468 ?          ?        374.5418 8.860783 ?        ?        ?         ?        
1 1 1 7  38 11 o 184.5506 6.301661 341.5176   23.25950 341.5176   23.25950 ?          ?        184.5506 6.301661 ?        ?        ?         ?        
1 1 1 7  38 12 o 278.7793 7.325858 781.1789   40.84595 781.1789   40.84595 ?          ?        278.7793 7.325858 ?        ?        ?         ?        
1 1 1 7  38 13 o 270.5547 7.234036 737.4965   39.14404 737.4965   39.14404 ?          ?        270.5547 7.234036 ?        ?        ?         ?        
1 1 1 7  38 14 o 114.7506 6.921334 132.7494   15.88454 132.7494   15.88454 ?          ?        114.7506 6.921334 ?        ?        ?         ?        
1 1 1 7  38 15 o 30.92128 12.99018 2.269220   13.61532 2.269220   13.61532 ?          ?        30.92128 12.99018 ?        ?        ?         ?        
1 1 1 7  38 16 o 193.5348 6.448819 379.5270   24.96142 379.5270   24.96142 ?          ?        193.5348 6.448819 ?        ?        ?         ?        
1 1 1 7  39 0  o 117.7043 10.27055 141.8262   23.82681 141.8262   23.82681 141.8262   23.82681 117.7043 10.27055 117.7043 10.27055 -0.000000 0.000000 
1 1 1 7  39 1  o 315.9165 7.003400 999.0241   44.24979 999.0241   44.24979 ?          ?        315.9165 7.003400 ?        ?        ?         ?        
1 1 1 7  39 2  o 590.5295 11.91233 3498.002   140.6916 3498.002   140.6916 ?          ?        590.5295 11.91233 ?        ?        ?         ?        
1 1 1 7  39 3  o 274.0185 6.728529 751.6791   36.87482 751.6791   36.87482 ?          ?        274.0185 6.728529 ?        ?        ?         ?        
1 1 1 7  39 4  f 617.4608 15.61911 3836.116   192.8837 3836.116   192.8837 ?          ?        617.4608 15.61911 ?        ?        ?         ?        
1 1 1 7  39 5  o 292.7817 8.138080 858.8997   47.65361 858.8997   47.65361 ?          ?        292.7817 8.138080 ?        ?        ?         ?        
1 1 1 7  39 6  o 564.9039 17.77523 3221.157   200.8260 3221.157   200.8260 ?          ?        564.9039 17.77523 ?        ?        ?         ?        
1 1 1 7  39 7  o 251.3589 7.560790 633.1123   38.00943 633.1123   38.00943 ?          ?        251.3589 7.560790 ?        ?        ?         ?        
1 1 1 7  39 8  f 152.5876 6.320425 233.1623   19.28837 233.1623   19.28837 ?          ?        152.5876 6.320425 ?        ?        ?         ?        
1 1 1 7  39 9  o 488.8786 12.93869 2408.777   126.5090 2408.777   126.5090 ?          ?        488.8786 12.93869 ?        ?        ?         ?        
1 1 1 7  39 10 o 281.5336 7.052683 794.7943   39.71135 794.7943   39.71135 ?          ?        281.5336 7.052683 ?        ?        ?         ?        
1 1 1 7  39 11 o 351.9510 8.623592 1245.234   60.70163 1245.234   60.70163 ?          ?        351.9510 8.623592 ?        ?        ?         ?        
1 1 1 7  39 12 o 160.4624 6.187020 258.6910   19.85567 258.6910   19.85567 ?          ?        160.4624 6.187020 ?        ?        ?         ?        
1 1 1 7  39 13 o 117.8898 7.458851 140.1243   17.58645 140.1243   17.58645 ?          ?        117.8898 7.458851 ?        ?        ?         ?        
1 1 1 7  39 14 o 82.96533 8.547319 69.77851   14.18262 69.77851   14.18262 ?          ?        82.96533 8.547319 ?        ?        ?         ?        
1 1 1 7  39 15 o 176.4272 6.270260 314.2870   22.12490 314.2870   22.12490 ?          ?        176.4272 6.270260 ?        ?        ?         ?        
1 1 1 7  39 16 o 203.7855 6.542010 420.9402   26.66333 420.9402   26.66333 ?          ?        203.7855 6.542010 ?        ?        ?         ?        
1 1 1 7  40 0  o 227.9624 8.863619 522.4879   40.27865 522.4879   40.27865 522.4879   40.27865 227.9624 8.863619 227.9624 8.863619 -0.000000 0.000000 
1 1 1 7  40 1  o 226.7362 6.130019 514.5456   27.79794 514.5456   27.79794 ?          ?        226.7362 6.130019 ?        ?        ?         ?        
1 1 1 7  40 2  o 489.5115 10.83591 2403.104   106.0860 2403.104   106.0860 ?          ?        489.5115 10.83591 ?        ?        ?         ?        
1 1 1 7  40 3  o 291.7157 7.195458 852.0920   41.98057 852.0920   41.98057 ?          ?        291.7157 7.195458 ?        ?        ?         ?        
1 1 1 7  40 4  o 739.0141 17.19538 5506.830   254.1526 5506.830   254.1526 ?          ?        739.0141 17.19538 ?        ?        ?         ?        
1 1 1 7  40 5  o 422.7755 10.93615 1793.818   92.47070 1793.818   92.47070 ?          ?        422.7755 10.93615 ?        ?        ?         ?        
1 1 1 7  40 6  o 163.1826 6.431531 266.6333   20.99029 266.6333   20.99029 ?          ?        163.1826 6.431531 ?        ?        ?         ?        
1 1 1 7  40 7  o 280.3812 7.891006 787.9866   44.24979 787.9866   44.24979 ?          ?        280.3812 7.891006 ?        ?        ?         ?        
1 1 1 7  40 8  o 252.9361 7.289354 641.0546   36.87482 641.0546   36.87482 ?          ?        252.9361 7.289354 ?        ?        ?         ?        
1 1 1 7  40 9  o 267.3800 7.107755 716.5062   38.00943 716.5062   38.00943 ?          ?        267.3800 7.107755 ?        ?        ?         ?        
1 1 1 7  40 10 o 477.6628 10.86716 2299.287   103.8168 2299.287   103.8168 ?          ?        477.6628 10.86716 ?        ?        ?         ?        
1 1 1 7  40 11 o 367.8168 8.791436 1362.099   64.67276 1362.099   64.67276 ?          ?        367.8168 8.791436 ?        ?        ?         ?        
1 1 1 7  40 12 o 279.7706 8.516552 789.6885   47.65361 789.6885   47.65361 ?          ?        279.7706 8.516552 ?        ?        ?         ?        
1 1 1 7  40 13 o 39.21663 14.37349 13.04801   14.74993 13.04801   14.74993 ?          ?        39.21663 14.37349 ?        ?        ?         ?        
1 1 1 7  40 14 o 71.86135 9.868048 52.75936   14.18262 52.75936   14.18262 ?          ?        71.86135 9.868048 ?        ?        ?         ?        
1 1 1 7  40 15 o 129.4702 6.572613 169.6242   17.01915 169.6242   17.01915 ?          ?        129.4702 6.572613 ?        ?        ?         ?        
1 1 1 7  40 16 o 81.12665 8.741039 67.50929   14.18262 67.50929   14.18262 ?          ?        81.12665 8.741039 ?        ?        ?         ?        
1 1 1 7  41 0  o 29.74784 18.37812 7.374964   20.99029 7.374964   20.99029 7.374964   20.99029 29.74784 18.37812 29.74784 18.37812 -0.000000 0.000000 
1 1 1 7  41 1  o 61.68876 13.25579 39.71135   15.88454 39.71135   15.88454 ?          ?        61.68876 13.25579 ?        ?        ?         ?        
1 1 1 7  41 2  o 79.61708 9.619314 63.53815   15.31723 63.53815   15.31723 ?          ?        79.61708 9.619314 ?        ?        ?         ?        
1 1 1 7  41 3  o 519.9480 11.51090 2713.420   119.7014 2713.420   119.7014 ?          ?        519.9480 11.51090 ?        ?        ?         ?        
1 1 1 7  41 4  o 647.7251 14.23244 4221.316   184.3741 4221.316   184.3741 ?          ?        647.7251 14.23244 ?        ?        ?         ?        
1 1 1 7  41 5  o 771.6730 19.48180 6022.509   300.6716 6022.509   300.6716 ?          ?        771.6730 19.48180 ?        ?        ?         ?        
1 1 1 7  41 6  o 461.9060 13.08015 2146.682   120.8360 2146.682   120.8360 ?          ?        461.9060 13.08015 ?        ?        ?         ?        
1 1 1 7  41 7  o 574.6160 14.95724 3328.378   171.8934 3328.378   171.8934 ?          ?        574.6160 14.95724 ?        ?        ?         ?        
1 1 1 7  41 8  o 360.9313 8.644795 1307.071   62.40355 1307.071   62.40355 ?          ?        360.9313 8.644795 ?        ?        ?         ?        
1 1 1 7  41 9  o 157.8174 6.470447 249.6142   20.42298 249.6142   20.42298 ?          ?        157.8174 6.470447 ?        ?        ?         ?        
1 1 1 7  41 10 o 344.1006 8.243300 1189.638   56.73050 1189.638   56.73050 ?          ?        344.1006 8.243300 ?        ?        ?         ?        
1 1 1 7  41 11 o 175.6753 6.458563 309.7485   22.69220 309.7485   22.69220 ?          ?        175.6753 6.458563 ?        ?        ?         ?        
1 1 1 7  41 12 o 64.24922 13.25566 43.68248   16.45185 43.68248   16.45185 ?          ?        64.24922 13.25566 ?        ?        ?         ?        
1 1 1 7  41 13 o 267.3013 7.109847 720.4773   38.00943 720.4773   38.00943 ?          ?        267.3013 7.109847 ?        ?        ?         ?        
1 1 1 7  41 14 o 80.94884 9.811468 66.94199   15.88454 66.94199   15.88454 ?          ?        80.94884 9.811468 ?        ?        ?         ?        
1 1 1 7  41 15 o 99.90096 7.950144 101.5476   15.88454 101.5476   15.88454 ?          ?        99.90096 7.950144 ?        ?        ?         ?        
1 1 1 7  41 16 o 113.4318 7.251864 131.0475   16.45185 131.0475   16.45185 ?          ?        113.4318 7.251864 ?        ?        ?         ?        
1 1 1 7  42 0  o 457.2570 14.54821 2103.000   132.7494 2103.000   132.7494 2103.000   132.7494 457.2570 14.54821 457.2570 14.54821 -0.000000 0.000000 
1 1 1 7  42 1  o 222.5542 6.245209 495.8246   27.79794 495.8246   27.79794 ?          ?        222.5542 6.245209 ?        ?        ?         ?        
1 1 1 7  42 2  o 211.5737 6.435260 448.1709   27.23064 448.1709   27.23064 ?          ?        211.5737 6.435260 ?        ?        ?         ?        
1 1 1 7  42 3  o 509.9254 12.12653 2611.872   123.6725 2611.872   123.6725 ?          ?        509.9254 12.12653 ?        ?        ?         ?        
1 1 1 7  42 4  o 696.2869 17.63950 4893.005   245.6430 4893.005   245.6430 ?          ?        696.2869 17.63950 ?        ?        ?         ?        
1 1 1 7  42 5  o 642.9949 16.36639 4170.826   210.4701 4170.826   210.4701 ?          ?        642.9949 16.36639 ?        ?        ?         ?        
1 1 1 7  42 6  o 457.8708 11.83251 2107.538   108.3553 2107.538   108.3553 ?          ?        457.8708 11.83251 ?        ?        ?         ?        
1 1 1 7  42 7  o 490.8521 12.88667 2424.094   126.5090 2424.094   126.5090 ?          ?        490.8521 12.88667 ?        ?        ?         ?        
1 1 1 7  42 8  o 198.2873 7.867821 394.2770   31.20177 394.2770   31.20177 ?          ?        198.2873 7.867821 ?        ?        ?         ?        
1 1 1 7  42 9  o 64.62649 13.18497 43.68248   16.45185 43.68248   16.45185 ?          ?        64.62649 13.18497 ?        ?        ?         ?        
1 1 1 7  42 10 o 74.62856 11.02248 56.16319   16.45185 56.16319   16.45185 ?          ?        74.62856 11.02248 ?        ?        ?         ?        
1 1 1 7  42 11 o 126.1480 6.970566 159.9800   17.58645 159.9800   17.58645 ?          ?        126.1480 6.970566 ?        ?        ?         ?        
1 1 1 7  42 12 o 129.1234 7.029614 167.9223   18.15376 167.9223   18.15376 ?          ?        129.1234 7.029614 ?        ?        ?         ?        
1 1 1 7  42 13 o 244.0079 7.323579 600.7759   35.74022 600.7759   35.74022 ?          ?        244.0079 7.323579 ?        ?        ?         ?        
1 1 1 7  42 14 o 115.1411 7.390563 134.4513   17.01915 134.4513   17.01915 ?          ?        115.1411 7.390563 ?        ?        ?         ?        
1 1 1 7  42 15 o 200.3359 6.654657 406.7577   26.66333 406.7577   26.66333 ?          ?        200.3359 6.654657 ?        ?        ?         ?        
1 1 1 7  43 0  o 139.0026 9.685932 196.2875   26.66333 196.2875   26.66333 196.2875   26.66333 139.0026 9.685932 139.0026 9.685932 -0.000000 0.000000 
1 1 1 7  43 1  o 449.7044 10.15513 2028.683   91.33610 2028.683   91.33610 ?          ?        449.7044 10.15513 ?        ?        ?         ?        
1 1 1 7  43 2  o 303.1862 7.391018 920.7360   44.81709 920.7360   44.81709 ?          ?        303.1862 7.391018 ?        ?        ?         ?        
1 1 1 7  43 3  o 936.1239 21.87713 8887.966   409.5942 8887.966   409.5942 ?          ?        936.1239 21.87713 ?        ?        ?         ?        
1 1 1 7  43 4  o 327.0157 8.153533 1071.639   53.32666 1071.639   53.32666 ?          ?        327.0157 8.153533 ?        ?        ?         ?        
1 1 1 7  43 5  o 250.6107 6.791070 629.1412   34.03830 629.1412   34.03830 ?          ?        250.6107 6.791070 ?        ?        ?         ?        
1 1 1 7  43 6  o 196.4119 6.354357 386.3347   24.96142 386.3347   24.96142 ?          ?        196.4119 6.354357 ?        ?        ?         ?        
1 1 1 7  43 7  o 392.2281 10.63078 1545.906   83.39383 1545.906   83.39383 ?          ?        392.2281 10.63078 ?        ?        ?         ?        
1 1 1 7  43 8  o 229.1776 7.054875 526.4590   32.33638 526.4590   32.33638 ?          ?        229.1776 7.054875 ?        ?        ?         ?        
1 1 1 7  43 9  o 395.5857 10.75567 1577.108   85.09574 1577.108   85.09574 ?          ?        395.5857 10.75567 ?        ?        ?         ?        
1 1 1 7  43 10 o 60.59670 12.58981 38.57674   14.74993 38.57674   14.74993 ?          ?        60.59670 12.58981 ?        ?        ?         ?        
1 1 1 7  43 11 o 281.2990 7.260238 796.4961   40.84595 796.4961   40.84595 ?          ?        281.2990 7.260238 ?        ?        ?         ?        
1 1 1 7  43 12 o 199.9432 7.093328 402.7865   28.36525 402.7865   28.36525 ?          ?        199.9432 7.093328 ?        ?        ?         ?        
1 1 1 7  43 13 o 193.3382 6.455379 376.6905   24.96142 376.6905   24.96142 ?          ?        193.3382 6.455379 ?        ?        ?         ?        
1 1 1 7  43 14 o 35.05942 13.98866 7.374964   14.74993 7.374964   14.74993 ?          ?        35.05942 13.98866 ?        ?        ?         ?        
1 1 1 7  43 15 o 152.5942 7.063699 236.5662   21.55759 236.5662   21.55759 ?          ?        152.5942 7.063699 ?        ?        ?         ?        
1 1 1 7  44 0  o 341.6494 11.73678 1173.754   79.99000 1173.754   79.99000 1173.754   79.99000 341.6494 11.73678 341.6494 11.73678 -0.000000 0.000000 
1 1 1 7  44 1  o 558.4484 12.29190 3132.658   137.2878 3132.658   137.2878 ?          ?        558.4484 12.29190 ?        ?        ?         ?        
1 1 1 7  44 2  o 383.6909 9.462700 1476.128   72.61504 1476.128   72.61504 ?          ?        383.6909 9.462700 ?        ?        ?         ?        
1 1 1 7  44 3  o 386.2898 8.958457 1495.983   69.21120 1495.983   69.21120 ?          ?        386.2898 8.958457 ?        ?        ?         ?        
1 1 1 7  44 4  o 239.1642 6.878890 572.9780   32.90369 572.9780   32.90369 ?          ?        239.1642 6.878890 ?        ?        ?         ?        
1 1 1 7  44 5  o 243.8520 6.862973 595.6702   33.47099 595.6702   33.47099 ?          ?        243.8520 6.862973 ?        ?        ?         ?        
1 1 1 7  44 6  o 158.7433 6.968767 252.4507   22.12490 252.4507   22.12490 ?          ?        158.7433 6.968767 ?        ?        ?         ?        
1 1 1 7  44 7  o 130.7082 7.812432 171.3261   20.42298 171.3261   20.42298 ?          ?        130.7082 7.812432 ?        ?        ?         ?        
1 1 1 7  44 8  f 303.7191 7.471441 925.2744   45.38440 925.2744   45.38440 ?          ?        303.7191 7.471441 ?        ?        ?         ?        
1 1 1 7  44 9  o 177.6713 6.386004 316.5562   22.69220 316.5562   22.69220 ?          ?        177.6713 6.386004 ?        ?        ?         ?        
1 1 1 7  44 10 o 304.7747 8.190121 934.3513   49.92284 934.3513   49.92284 ?          ?        304.7747 8.190121 ?        ?        ?         ?        
1 1 1 7  44 11 f 38.05671 15.07590 8.509575   17.01915 8.509575   17.01915 ?          ?        38.05671 15.07590 ?        ?        ?         ?        
1 1 1 7  44 12 o 415.8033 10.43735 1759.780   86.79766 1759.780   86.79766 ?          ?        415.8033 10.43735 ?        ?        ?         ?        
1 1 1 7  44 13 o 39.79649 14.39419 14.18262   14.74993 14.18262   14.74993 ?          ?        39.79649 14.39419 ?        ?        ?         ?        
1 1 1 7  44 14 o 100.8697 8.717414 103.8168   17.58645 103.8168   17.58645 ?          ?        100.8697 8.717414 ?        ?        ?         ?        
1 1 1 7  44 15 o 168.8147 6.889064 289.3255   23.25950 289.3255   23.25950 ?          ?        168.8147 6.889064 ?        ?        ?         ?        
1 1 1 7  45 0  o 184.9791 9.717293 345.4887   35.74022 345.4887   35.74022 345.4887   35.74022 184.9791 9.717293 184.9791 9.717293 -0.000000 0.000000 
1 1 1 7  45 1  o 566.8917 12.40904 3229.100   140.6916 3229.100   140.6916 ?          ?        566.8917 12.40904 ?        ?        ?         ?        
1 1 1 7  45 2  o 415.0005 9.568988 1727.443   79.42269 1727.443   79.42269 ?          ?        415.0005 9.568988 ?        ?        ?         ?        
1 1 1 7  45 3  o 87.00561 10.75854 76.01886   18.72106 76.01886   18.72106 ?          ?        87.00561 10.75854 ?        ?        ?         ?        
1 1 1 7  45 4  o 487.4934 11.81174 2388.921   115.1629 2388.921   115.1629 ?          ?        487.4934 11.81174 ?        ?        ?         ?        
1 1 1 7  45 5  f 423.7663 10.50896 1802.895   89.06688 1802.895   89.06688 ?          ?        423.7663 10.50896 ?        ?        ?         ?        
1 1 1 7  45 6  o 128.5548 7.281353 165.6530   18.72106 165.6530   18.72106 ?          ?        128.5548 7.281353 ?        ?        ?         ?        
1 1 1 7  45 7  o 99.47097 8.554832 99.27837   17.01915 99.27837   17.01915 ?          ?        99.47097 8.554832 ?        ?        ?         ?        
1 1 1 7  45 8  o 231.6912 6.855910 538.3724   31.76908 538.3724   31.76908 ?          ?        231.6912 6.855910 ?        ?        ?         ?        
1 1 1 7  45 9  o 267.3866 7.213663 717.6408   38.57674 717.6408   38.57674 ?          ?        267.3866 7.213663 ?        ?        ?         ?        
1 1 1 7  45 10 o 132.6336 7.485160 176.9992   19.85567 176.9992   19.85567 ?          ?        132.6336 7.485160 ?        ?        ?         ?        
1 1 1 7  45 11 o 230.4287 6.770375 534.4012   31.20177 534.4012   31.20177 ?          ?        230.4287 6.770375 ?        ?        ?         ?        
1 1 1 7  45 12 o 278.2903 7.236804 781.1789   40.27865 781.1789   40.27865 ?          ?        278.2903 7.236804 ?        ?        ?         ?        
1 1 1 7  45 13 o 147.9977 6.708105 221.2489   19.85567 221.2489   19.85567 ?          ?        147.9977 6.708105 ?        ?        ?         ?        
1 1 1 7  45 14 o 80.50255 10.92292 66.94199   17.58645 66.94199   17.58645 ?          ?        80.50255 10.92292 ?        ?        ?         ?        
1 1 1 7  45 15 o 155.3127 6.757427 245.0758   20.99029 245.0758   20.99029 ?          ?        155.3127 6.757427 ?        ?        ?         ?        
1 1 1 7  46 0  o 203.2945 9.957378 416.9691   40.27865 416.9691   40.27865 416.9691   40.27865 203.2945 9.957378 203.2945 9.957378 -0.000000 0.000000 
1 1 1 7  46 1  o 236.0694 6.848915 558.2281   32.33638 558.2281   32.33638 ?          ?        236.0694 6.848915 ?        ?        ?         ?        
1 1 1 7  46 2  o 177.2978 6.559443 314.8543   23.25950 314.8543   23.25950 ?          ?        177.2978 6.559443 ?        ?        ?         ?        
1 1 1 7  46 3  f 393.1600 9.018354 1550.444   70.91312 1550.444   70.91312 ?          ?        393.1600 9.018354 ?        ?        ?         ?        
1 1 1 7  46 4  o 432.8001 10.55177 1880.616   91.33610 1880.616   91.33610 ?          ?        432.8001 10.55177 ?        ?        ?         ?        
1 1 1 7  46 5  o 628.2761 14.89875 3982.481   187.2106 3982.481   187.2106 ?          ?        628.2761 14.89875 ?        ?        ?         ?        
1 1 1 7  46 6  o 325.9427 10.53006 1067.668   68.64390 1067.668   68.64390 ?          ?        325.9427 10.53006 ?        ?        ?         ?        
1 1 1 7  46 7  f 180.8662 6.586861 327.9023   23.82681 327.9023   23.82681 ?          ?        180.8662 6.586861 ?        ?        ?         ?        
1 1 1 7  46 8  f 159.6736 7.105808 255.8545   22.69220 255.8545   22.69220 ?          ?        159.6736 7.105808 ?        ?        ?         ?        
1 1 1 7  46 9  o 49.30437 15.79014 24.39412   17.58645 24.39412   17.58645 ?          ?        49.30437 15.79014 ?        ?        ?         ?        
1 1 1 7  46 10 o 141.0534 7.239450 200.2587   20.42298 200.2587   20.42298 ?          ?        141.0534 7.239450 ?        ?        ?         ?        
1 1 1 7  46 11 f 88.29730 11.24365 79.42269   19.85567 79.42269   19.85567 ?          ?        88.29730 11.24365 ?        ?        ?         ?        
1 1 1 7  46 12 o 115.9333 7.095389 135.5859   16.45185 135.5859   16.45185 ?          ?        115.9333 7.095389 ?        ?        ?         ?        
1 1 1 7  46 13 o 181.0846 6.735556 331.8734   24.39412 331.8734   24.39412 ?          ?        181.0846 6.735556 ?        ?        ?         ?        
1 1 1 7  46 14 o 37.83843 14.47125 11.34610   15.31723 11.34610   15.31723 ?          ?        37.83843 14.47125 ?        ?        ?         ?        
1 1 1 7  46 15 o 113.8800 7.472404 132.1821   17.01915 132.1821   17.01915 ?          ?        113.8800 7.472404 ?        ?        ?         ?        
1 1 1 7  47 0  o 511.4667 16.22985 2636.833   165.6530 2636.833   165.6530 2636.833   165.6530 511.4667 16.22985 511.4667 16.22985 -0.000000 0.000000 
1 1 1 7  47 1  o 244.5378 6.959721 599.0740   34.03830 599.0740   34.03830 ?          ?        244.5378 6.959721 ?        ?        ?         ?        
1 1 1 7  47 2  o 79.13989 12.18625 62.97085   19.28837 62.97085   19.28837 ?          ?        79.13989 12.18625 ?        ?        ?         ?        
1 1 1 7  47 3  f 327.8611 7.872962 1077.312   51.62476 1077.312   51.62476 ?          ?        327.8611 7.872962 ?        ?        ?         ?        
1 1 1 7  47 4  o 429.2318 9.912562 1849.414   85.09574 1849.414   85.09574 ?          ?        429.2318 9.912562 ?        ?        ?         ?        
1 1 1 7  47 5  o 396.1080 9.309285 1575.406   73.74965 1575.406   73.74965 ?          ?        396.1080 9.309285 ?        ?        ?         ?        
1 1 1 7  47 6  o 189.6114 8.527013 360.8060   32.33638 360.8060   32.33638 ?          ?        189.6114 8.527013 ?        ?        ?         ?        
1 1 1 7  47 7  o 121.1539 8.896778 147.4993   21.55759 147.4993   21.55759 ?          ?        121.1539 8.896778 ?        ?        ?         ?        
1 1 1 7  47 8  o 138.4320 7.171635 192.3164   19.85567 192.3164   19.85567 ?          ?        138.4320 7.171635 ?        ?        ?         ?        
1 1 1 7  47 9  o 306.8089 7.581104 946.2647   46.51900 946.2647   46.51900 ?          ?        306.8089 7.581104 ?        ?        ?         ?        
1 1 1 7  47 10 o 246.1105 6.915246 609.2856   34.03830 609.2856   34.03830 ?          ?        246.1105 6.915246 ?        ?        ?         ?        
1 1 1 7  47 11 o 191.9596 6.501737 371.0175   24.96142 371.0175   24.96142 ?          ?        191.9596 6.501737 ?        ?        ?         ?        
1 1 1 7  47 12 o 91.62309 11.45469 86.23035   20.99029 86.23035   20.99029 ?          ?        91.62309 11.45469 ?        ?        ?         ?        
1 1 1 7  47 13 o 57.32086 13.96496 35.74022   15.88454 35.74022   15.88454 ?          ?        57.32086 13.96496 ?        ?        ?         ?        
1 1 1 7  47 14 f 178.3975 6.678010 322.7965   23.82681 322.7965   23.82681 ?          ?        178.3975 6.678010 ?        ?        ?         ?        
1 1 1 7  48 0  o 237.3689 9.835418 567.3050   46.51900 567.3050   46.51900 567.3050   46.51900 237.3689 9.835418 237.3689 9.835418 -0.000000 0.000000 
1 1 1 7  48 1  o 423.3467 9.782352 1798.357   82.82652 1798.357   82.82652 ?          ?        423.3467 9.782352 ?        ?        ?         ?        
1 1 1 7  48 2  o 239.6456 6.746710 575.2472   32.33638 575.2472   32.33638 ?          ?        239.6456 6.746710 ?        ?        ?         ?        
1 1 1 7  48 3  o 293.5154 7.537899 863.4382   44.24979 863.4382   44.24979 ?          ?        293.5154 7.537899 ?        ?        ?         ?        
1 1 1 7  48 4  o 226.2349 8.149675 513.4110   36.87482 513.4110   36.87482 ?          ?        226.2349 8.149675 ?        ?        ?         ?        
1 1 1 7  48 5  o 505.2942 12.12540 2569.891   122.5379 2569.891   122.5379 ?          ?        505.2942 12.12540 ?        ?        ?         ?        
1 1 1 7  48 6  o 251.0417 7.118381 631.9777   35.74022 631.9777   35.74022 ?          ?        251.0417 7.118381 ?        ?        ?         ?        
1 1 1 7  48 7  o 371.1890 8.864405 1385.359   65.80738 1385.359   65.80738 ?          ?        371.1890 8.864405 ?        ?        ?         ?        
1 1 1 7  48 8  o 89.98351 10.08727 81.69191   18.15376 81.69191   18.15376 ?          ?        89.98351 10.08727 ?        ?        ?         ?        
1 1 1 7  48 9  o 107.8368 8.943316 117.4321   19.28837 117.4321   19.28837 ?          ?        107.8368 8.943316 ?        ?        ?         ?        
1 1 1 7  48 10 o 89.72385 10.11646 81.69191   18.15376 81.69191   18.15376 ?          ?        89.72385 10.11646 ?        ?        ?         ?        
1 1 1 7  48 11 o 111.7892 8.627120 126.5090   19.28837 126.5090   19.28837 ?          ?        111.7892 8.627120 ?        ?        ?         ?        
1 1 1 7  48 12 o 38.79155 15.50509 9.076880   18.15376 9.076880   18.15376 ?          ?        38.79155 15.50509 ?        ?        ?         ?        
1 1 1 7  48 13 o 246.3611 7.138485 615.5258   35.17290 615.5258   35.17290 ?          ?        246.3611 7.138485 ?        ?        ?         ?        
1 1 1 7  48 14 o 28.95982 13.03895 -6.240355  15.88454 -6.240355  15.88454 ?          ?        28.95982 13.03895 ?        ?        ?         ?        
1 1 1 7  49 0  o 139.7910 11.30424 199.6914   31.20177 199.6914   31.20177 199.6914   31.20177 139.7910 11.30424 139.7910 11.30424 -0.000000 0.000000 
1 1 1 7  49 1  o 571.5660 12.70457 3287.532   145.2301 3287.532   145.2301 ?          ?        571.5660 12.70457 ?        ?        ?         ?        
1 1 1 7  49 2  o 132.8556 8.113163 176.9992   21.55759 176.9992   21.55759 ?          ?        132.8556 8.113163 ?        ?        ?         ?        
1 1 1 7  49 3  o 512.9173 11.44747 2647.045   117.4321 2647.045   117.4321 ?          ?        512.9173 11.44747 ?        ?        ?         ?        
1 1 1 7  49 4  o 331.8641 9.487447 1105.677   62.97085 1105.677   62.97085 ?          ?        331.8641 9.487447 ?        ?        ?         ?        
1 1 1 7  49 5  o 914.8834 23.53221 8622.469   430.5845 8622.469   430.5845 ?          ?        914.8834 23.53221 ?        ?        ?         ?        
1 1 1 7  49 6  o 322.0289 8.103630 1041.572   52.19205 1041.572   52.19205 ?          ?        322.0289 8.103630 ?        ?        ?         ?        
1 1 1 7  49 7  o 314.8458 7.928143 995.6202   49.92284 995.6202   49.92284 ?          ?        314.8458 7.928143 ?        ?        ?         ?        
1 1 1 7  49 8  o 126.5673 8.068033 161.1146   20.42298 161.1146   20.42298 ?          ?        126.5673 8.068033 ?        ?        ?         ?        
1 1 1 7  49 9  o 132.2929 8.147673 176.4319   21.55759 176.4319   21.55759 ?          ?        132.2929 8.147673 ?        ?        ?         ?        
1 1 1 7  49 10 o 157.4068 7.027933 249.6142   22.12490 249.6142   22.12490 ?          ?        157.4068 7.027933 ?        ?        ?         ?        
1 1 1 7  49 11 o 159.9619 7.093001 258.1238   22.69220 258.1238   22.69220 ?          ?        159.9619 7.093001 ?        ?        ?         ?        
1 1 1 7  49 12 o 148.2803 6.695317 222.3835   19.85567 222.3835   19.85567 ?          ?        148.2803 6.695317 ?        ?        ?         ?        
1 1 1 7  49 13 o 95.93167 11.23591 95.30723   21.55759 95.30723   21.55759 ?          ?        95.93167 11.23591 ?        ?        ?         ?        
1 1 1 7  49 14 o 58.05294 14.25496 37.44213   16.45185 37.44213   16.45185 ?          ?        58.05294 14.25496 ?        ?        ?         ?        
1 1 1 7  50 0  o 529.0128 16.92815 2825.746   178.7011 2825.746   178.7011 2825.746   178.7011 529.0128 16.92815 529.0128 16.92815 -0.000000 0.000000 
1 1 1 7  50 1  o 397.6089 9.274144 1587.319   73.74965 1587.319   73.74965 ?          ?        397.6089 9.274144 ?        ?        ?         ?        
1 1 1 7  50 2  o 324.5327 8.041109 1056.322   52.19205 1056.322   52.19205 ?          ?        324.5327 8.041109 ?        ?        ?         ?        
1 1 1 7  50 3  o 127.8424 8.431312 163.9511   21.55759 163.9511   21.55759 ?          ?        127.8424 8.431312 ?        ?        ?         ?        
1 1 1 7  50 4  o 217.3338 7.308819 473.6996   31.76908 473.6996   31.76908 ?          ?        217.3338 7.308819 ?        ?        ?         ?        
1 1 1 7  50 5  o 185.4426 7.036149 344.9214   26.09603 344.9214   26.09603 ?          ?        185.4426 7.036149 ?        ?        ?         ?        
1 1 1 7  50 6  o 291.7198 7.584296 854.3613   44.24979 854.3613   44.24979 ?          ?        291.7198 7.584296 ?        ?        ?         ?        
1 1 1 7  50 7  o 343.4754 8.506055 1187.369   58.43241 1187.369   58.43241 ?          ?        343.4754 8.506055 ?        ?        ?         ?        
1 1 1 7  50 8  o 238.5476 7.015581 572.4106   33.47099 572.4106   33.47099 ?          ?        238.5476 7.015581 ?        ?        ?         ?        
1 1 1 7  50 9  o 253.9028 7.038168 648.9968   35.74022 648.9968   35.74022 ?          ?        253.9028 7.038168 ?        ?        ?         ?        
1 1 1 7  50 10 o 188.8212 6.609804 359.1040   24.96142 359.1040   24.96142 ?          ?        188.8212 6.609804 ?        ?        ?         ?        
1 1 1 7  50 11 o 210.3067 7.148408 447.0363   30.06716 447.0363   30.06716 ?          ?        210.3067 7.148408 ?        ?        ?         ?        
1 1 1 7  50 12 o 34.09700 14.56084 1.134610   17.58645 1.134610   17.58645 ?          ?        34.09700 14.56084 ?        ?        ?         ?        
1 1 1 7  50 13 o 154.3923 7.165155 242.2392   22.12490 242.2392   22.12490 ?          ?        154.3923 7.165155 ?        ?        ?         ?        
1 1 1 7  51 0  o 128.0442 12.39783 169.0569   31.20177 169.0569   31.20177 169.0569   31.20177 128.0442 12.39783 128.0442 12.39783 -0.000000 0.000000 
1 1 1 7  51 1  o 69.70293 15.82227 51.05745   21.55759 51.05745   21.55759 ?          ?        69.70293 15.82227 ?        ?        ?         ?        
1 1 1 7  51 2  o 128.4992 8.167479 165.6530   20.99029 165.6530   20.99029 ?          ?        128.4992 8.167479 ?        ?        ?         ?        
1 1 1 7  51 3  f 356.2509 8.519506 1274.167   60.70163 1274.167   60.70163 ?          ?        356.2509 8.519506 ?        ?        ?         ?        
1 1 1 7  51 4  o 202.6397 7.138915 411.8634   28.93255 411.8634   28.93255 ?          ?        202.6397 7.138915 ?        ?        ?         ?        
1 1 1 7  51 5  o 295.1447 7.784606 874.7842   45.95170 874.7842   45.95170 ?          ?        295.1447 7.784606 ?        ?        ?         ?        
1 1 1 7  51 6  o 351.4245 8.555797 1241.830   60.13433 1241.830   60.13433 ?          ?        351.4245 8.555797 ?        ?        ?         ?        
1 1 1 7  51 7  o 227.8132 7.097126 521.3533   32.33638 521.3533   32.33638 ?          ?        227.8132 7.097126 ?        ?        ?         ?        
1 1 1 7  51 8  o 43.49455 16.86674 13.04801   20.99029 13.04801   20.99029 ?          ?        43.49455 16.86674 ?        ?        ?         ?        
1 1 1 7  51 9  f 223.4220 6.855742 502.6322   30.63447 502.6322   30.63447 ?          ?        223.4220 6.855742 ?        ?        ?         ?        
1 1 1 7  51 10 o 42.49037 16.41955 13.04801   19.85567 13.04801   19.85567 ?          ?        42.49037 16.41955 ?        ?        ?         ?        
1 1 1 7  51 11 o 58.68324 14.55352 37.44213   17.01915 37.44213   17.01915 ?          ?        58.68324 14.55352 ?        ?        ?         ?        
1 1 1 7  51 12 o 63.95422 14.52100 44.81709   18.15376 44.81709   18.15376 ?          ?        63.95422 14.52100 ?        ?        ?         ?        
1 1 1 7  51 13 o 110.2051 8.493734 124.2398   18.72106 124.2398   18.72106 ?          ?        110.2051 8.493734 ?        ?        ?         ?        
1 1 1 7  52 0  o 392.3936 13.48036 1552.714   105.5187 1552.714   105.5187 1552.714   105.5187 392.3936 13.48036 392.3936 13.48036 -0.000000 0.000000 
1 1 1 7  52 1  o 277.5707 7.255565 772.6694   40.27865 772.6694   40.27865 ?          ?        277.5707 7.255565 ?        ?        ?         ?        
1 1 1 7  52 2  o 162.4910 7.855428 264.9314   25.52872 264.9314   25.52872 ?          ?        162.4910 7.855428 ?        ?        ?         ?        
1 1 1 7  52 3  o 664.7877 15.87254 4487.949   211.0374 4487.949   211.0374 ?          ?        664.7877 15.87254 ?        ?        ?         ?        
1 1 1 7  52 4  o 204.0064 6.813007 417.5364   27.79794 417.5364   27.79794 ?          ?        204.0064 6.813007 ?        ?        ?         ?        
1 1 1 7  52 5  o 99.24976 10.57448 99.27837   20.99029 99.27837   20.99029 ?          ?        99.24976 10.57448 ?        ?        ?         ?        
1 1 1 7  52 6  o 245.5483 7.393151 605.8817   36.30752 605.8817   36.30752 ?          ?        245.5483 7.393151 ?        ?        ?         ?        
1 1 1 7  52 7  f 386.4263 9.248907 1509.031   71.48043 1509.031   71.48043 ?          ?        386.4263 9.248907 ?        ?        ?         ?        
1 1 1 7  52 8  o 257.7134 7.264296 668.8526   37.44213 668.8526   37.44213 ?          ?        257.7134 7.264296 ?        ?        ?         ?        
1 1 1 7  52 9  o 249.9040 7.150789 629.7086   35.74022 629.7086   35.74022 ?          ?        249.9040 7.150789 ?        ?        ?         ?        
1 1 1 7  52 10 o 136.6584 7.887403 188.9126   21.55759 188.9126   21.55759 ?          ?        136.6584 7.887403 ?        ?        ?         ?        
1 1 1 7  52 11 o 220.0676 7.089135 490.7188   31.20177 490.7188   31.20177 ?          ?        220.0676 7.089135 ?        ?        ?         ?        
1 1 1 7  52 12 o 70.14175 12.58893 52.75936   17.01915 52.75936   17.01915 ?          ?        70.14175 12.58893 ?        ?        ?         ?        
1 1 1 7  52 13 o 112.1360 8.347481 128.7782   18.72106 128.7782   18.72106 ?          ?        112.1360 8.347481 ?        ?        ?         ?        
1 1 1 7  53 0  o 603.8115 19.25664 3697.694   232.0277 3697.694   232.0277 3697.694   232.0277 603.8115 19.25664 603.8115 19.25664 -0.000000 0.000000 
1 1 1 7  53 1  o 156.5860 8.151665 246.2104   25.52872 246.2104   25.52872 ?          ?        156.5860 8.151665 ?        ?        ?         ?        
1 1 1 7  53 2  o 477.0750 10.82110 2294.181   103.2495 2294.181   103.2495 ?          ?        477.0750 10.82110 ?        ?        ?         ?        
1 1 1 7  53 3  o 100.2807 11.88005 101.5476   23.82681 101.5476   23.82681 ?          ?        100.2807 11.88005 ?        ?        ?         ?        
1 1 1 7  53 4  o 294.9535 7.789652 873.6497   45.95170 873.6497   45.95170 ?          ?        294.9535 7.789652 ?        ?        ?         ?        
1 1 1 7  53 5  o 234.6478 7.132177 553.1223   33.47099 553.1223   33.47099 ?          ?        234.6478 7.132177 ?        ?        ?         ?        
1 1 1 7  53 6  o 100.1584 10.76175 101.5476   21.55759 101.5476   21.55759 ?          ?        100.1584 10.76175 ?        ?        ?         ?        
1 1 1 7  53 7  o 467.9280 11.51758 2224.970   107.7879 2224.970   107.7879 ?          ?        467.9280 11.51758 ?        ?        ?         ?        
1 1 1 7  53 8  o 134.4172 8.651980 182.6722   23.25950 182.6722   23.25950 ?          ?        134.4172 8.651980 ?        ?        ?         ?        
1 1 1 7  53 9  o 227.4713 7.232494 521.9205   32.90369 521.9205   32.90369 ?          ?        227.4713 7.232494 ?        ?        ?         ?        
1 1 1 7  53 10 o 285.2644 7.755925 824.8613   44.24979 824.8613   44.24979 ?          ?        285.2644 7.755925 ?        ?        ?         ?        
1 1 1 7  53 11 o 429.1812 11.23556 1899.337   96.44185 1899.337   96.44185 ?          ?        429.1812 11.23556 ?        ?        ?         ?        
1 1 1 7  53 12 o 99.18493 9.151471 100.9803   18.15376 100.9803   18.15376 ?          ?        99.18493 9.151471 ?        ?        ?         ?        
1 1 1 7  53 13 o 165.4247 7.201710 278.5467   23.82681 278.5467   23.82681 ?          ?        165.4247 7.201710 ?        ?        ?         ?        
1 1 1 7  54 0  o 110.3105 14.82667 125.3744   32.33638 125.3744   32.33638 125.3744   32.33638 110.3105 14.82667 110.3105 14.82667 -0.000000 0.000000 
1 1 1 7  54 1  o 111.8063 10.40170 125.9417   23.25950 125.9417   23.25950 ?          ?        111.8063 10.40170 ?        ?        ?         ?        
1 1 1 7  54 2  o 137.7447 8.237049 190.6145   22.69220 190.6145   22.69220 ?          ?        137.7447 8.237049 ?        ?        ?         ?        
1 1 1 7  54 3  o 509.3015 11.52874 2618.680   117.4321 2618.680   117.4321 ?          ?        509.3015 11.52874 ?        ?        ?         ?        
1 1 1 7  54 4  o 227.8658 7.593419 521.9205   34.60560 521.9205   34.60560 ?          ?        227.8658 7.593419 ?        ?        ?         ?        
1 1 1 7  54 5  o 79.12175 12.54755 63.53815   19.85567 63.53815   19.85567 ?          ?        79.12175 12.54755 ?        ?        ?         ?        
1 1 1 7  54 6  o 184.1783 7.392465 341.5176   27.23064 341.5176   27.23064 ?          ?        184.1783 7.392465 ?        ?        ?         ?        
1 1 1 7  54 7  o 272.5986 8.116290 749.9771   44.24979 749.9771   44.24979 ?          ?        272.5986 8.116290 ?        ?        ?         ?        
1 1 1 7  54 8  o 170.6841 7.312168 293.8640   24.96142 293.8640   24.96142 ?          ?        170.6841 7.312168 ?        ?        ?         ?        
1 1 1 7  54 9  o 190.4199 7.150155 365.9117   27.23064 365.9117   27.23064 ?          ?        190.4199 7.150155 ?        ?        ?         ?        
1 1 1 7  54 10 o 180.3867 7.390605 329.6042   26.66333 329.6042   26.66333 ?          ?        180.3867 7.390605 ?        ?        ?         ?        
1 1 1 7  54 11 o 296.9782 10.12437 907.1206   60.13433 907.1206   60.13433 ?          ?        296.9782 10.12437 ?        ?        ?         ?        
1 1 1 7  54 12 o 113.9247 8.465400 132.7494   19.28837 132.7494   19.28837 ?          ?        113.9247 8.465400 ?        ?        ?         ?        
1 1 1 7  55 0  o 102.4627 17.00673 112.8937   32.33638 112.8937   32.33638 112.8937   32.33638 102.4627 17.00673 102.4627 17.00673 -0.000000 0.000000 
1 1 1 7  55 1  o 351.2711 8.640284 1240.696   60.70163 1240.696   60.70163 ?          ?        351.2711 8.640284 ?        ?        ?         ?        
1 1 1 7  55 2  o 191.6137 7.253644 368.7482   27.79794 368.7482   27.79794 ?          ?        191.6137 7.253644 ?        ?        ?         ?        
1 1 1 7  55 3  o 156.8650 7.594686 247.3450   23.82681 247.3450   23.82681 ?          ?        156.8650 7.594686 ?        ?        ?         ?        
1 1 1 7  55 4  o 97.84460 11.88594 97.00916   23.25950 97.00916   23.25950 ?          ?        97.84460 11.88594 ?        ?        ?         ?        
1 1 1 7  55 5  o 245.3342 7.283984 605.8817   35.74022 605.8817   35.74022 ?          ?        245.3342 7.283984 ?        ?        ?         ?        
1 1 1 7  55 6  o 69.84871 13.89439 51.62476   18.72106 51.62476   18.72106 ?          ?        69.84871 13.89439 ?        ?        ?         ?        
1 1 1 7  55 7  o 245.9200 7.497322 609.8528   36.87482 609.8528   36.87482 ?          ?        245.9200 7.497322 ?        ?        ?         ?        
1 1 1 7  55 8  o 55.22008 16.62421 32.33638   19.85567 32.33638   19.85567 ?          ?        55.22008 16.62421 ?        ?        ?         ?        
1 1 1 7  55 9  o 152.5486 7.251754 235.4316   22.12490 235.4316   22.12490 ?          ?        152.5486 7.251754 ?        ?        ?         ?        
1 1 1 7  55 10 o 180.9788 7.209691 331.8734   26.09603 331.8734   26.09603 ?          ?        180.9788 7.209691 ?        ?        ?         ?        
1 1 1 7  55 11 o 319.7862 8.958768 1046.678   57.29780 1046.678   57.29780 ?          ?        319.7862 8.958768 ?        ?        ?         ?        
1 1 1 7  55 12 o 84.85709 10.69667 74.88425   18.15376 74.88425   18.15376 ?          ?        84.85709 10.69667 ?        ?        ?         ?        
1 1 1 7  56 0  o 118.1015 15.55802 148.0666   35.74022 148.0666   35.74022 148.0666   35.74022 118.1015 15.55802 118.1015 15.55802 -0.000000 0.000000 
1 1 1 7  56 1  o 206.8808 7.266784 430.0172   30.06716 430.0172   30.06716 ?          ?        206.8808 7.266784 ?        ?        ?         ?        
1 1 1 7  56 2  o 134.2498 9.085347 181.5376   24.39412 181.5376   24.39412 ?          ?        134.2498 9.085347 ?        ?        ?         ?        
1 1 1 7  56 3  o 294.3383 7.516824 871.3804   44.24979 871.3804   44.24979 ?          ?        294.3383 7.516824 ?        ?        ?         ?        
1 1 1 7  56 4  o 65.83183 16.41188 46.51900   21.55759 46.51900   21.55759 ?          ?        65.83183 16.41188 ?        ?        ?         ?        
1 1 1 7  56 5  o 85.17032 16.23608 77.15348   26.66333 77.15348   26.66333 ?          ?        85.17032 16.23608 ?        ?        ?         ?        
1 1 1 7  56 6  o 140.7391 8.666430 200.2587   24.39412 200.2587   24.39412 ?          ?        140.7391 8.666430 ?        ?        ?         ?        
1 1 1 7  56 7  o 165.1323 7.386234 275.1429   24.39412 275.1429   24.39412 ?          ?        165.1323 7.386234 ?        ?        ?         ?        
1 1 1 7  56 8  o 94.38361 10.21807 90.76879   19.28837 90.76879   19.28837 ?          ?        94.38361 10.21807 ?        ?        ?         ?        
1 1 1 7  56 9  o 143.8561 7.887118 209.9028   22.69220 209.9028   22.69220 ?          ?        143.8561 7.887118 ?        ?        ?         ?        
1 1 1 7  56 10 o 70.75042 15.26852 55.02858   20.99029 55.02858   20.99029 ?          ?        70.75042 15.26852 ?        ?        ?         ?        
1 1 1 7  56 11 o 206.0238 7.021653 431.1518   28.93255 431.1518   28.93255 ?          ?        206.0238 7.021653 ?        ?        ?         ?        
1 1 1 7  56 12 o 33.96641 14.88253 -1.701915  19.28837 -1.701915  19.28837 ?          ?        33.96641 14.88253 ?        ?        ?         ?        
1 1 1 7  57 0  o 74.99451 23.72933 72.04772   31.20177 72.04772   31.20177 72.04772   31.20177 74.99451 23.72933 74.99451 23.72933 -0.000000 0.000000 
1 1 1 7  57 1  o 370.0865 8.890812 1381.388   65.80738 1381.388   65.80738 ?          ?        370.0865 8.890812 ?        ?        ?         ?        
1 1 1 7  57 2  o 126.3747 8.529237 161.1146   21.55759 161.1146   21.55759 ?          ?        126.3747 8.529237 ?        ?        ?         ?        
1 1 1 7  57 3  o 129.2166 8.561163 168.4896   22.12490 168.4896   22.12490 ?          ?        129.2166 8.561163 ?        ?        ?         ?        
1 1 1 7  57 4  f 135.0168 8.193385 183.8068   22.12490 183.8068   22.12490 ?          ?        135.0168 8.193385 ?        ?        ?         ?        
1 1 1 7  57 5  o 146.8707 9.270275 218.4124   27.23064 218.4124   27.23064 ?          ?        146.8707 9.270275 ?        ?        ?         ?        
1 1 1 7  57 6  o 212.3840 7.345604 454.9786   31.20177 454.9786   31.20177 ?          ?        212.3840 7.345604 ?        ?        ?         ?        
1 1 1 7  57 7  o 59.44019 17.17101 38.00943   21.55759 38.00943   21.55759 ?          ?        59.44019 17.17101 ?        ?        ?         ?        
1 1 1 7  57 8  o 85.08604 12.33474 74.88425   20.99029 74.88425   20.99029 ?          ?        85.08604 12.33474 ?        ?        ?         ?        
1 1 1 7  57 9  o 108.7330 10.17395 121.4033   22.12490 121.4033   22.12490 ?          ?        108.7330 10.17395 ?        ?        ?         ?        
1 1 1 7  57 10 o 88.66022 11.83749 81.69191   20.99029 81.69191   20.99029 ?          ?        88.66022 11.83749 ?        ?        ?         ?        
1 1 1 7  57 11 o 189.6266 7.329655 365.9117   27.79794 365.9117   27.79794 ?          ?        189.6266 7.329655 ?        ?        ?         ?        
1 1 1 7  58 0  o 422.6994 13.85632 1813.674   116.8648 1813.674   116.8648 1813.674   116.8648 422.6994 13.85632 422.6994 13.85632 -0.000000 0.000000 
1 1 1 7  58 1  o 498.2527 11.38589 2522.238   113.4610 2522.238   113.4610 ?          ?        498.2527 11.38589 ?        ?        ?         ?        
1 1 1 7  58 2  o 200.2913 7.505857 403.9211   30.06716 403.9211   30.06716 ?          ?        200.2913 7.505857 ?        ?        ?         ?        
1 1 1 7  58 3  o 243.2275 8.280037 596.8048   40.27865 596.8048   40.27865 ?          ?        243.2275 8.280037 ?        ?        ?         ?        
1 1 1 7  58 4  f 216.6058 7.595294 473.1324   32.90369 473.1324   32.90369 ?          ?        216.6058 7.595294 ?        ?        ?         ?        
1 1 1 7  58 5  f 136.0482 8.548262 187.2106   23.25950 187.2106   23.25950 ?          ?        136.0482 8.548262 ?        ?        ?         ?        
1 1 1 7  58 6  o 306.9488 8.132112 952.5050   49.92284 952.5050   49.92284 ?          ?        306.9488 8.132112 ?        ?        ?         ?        
1 1 1 7  58 7  o 346.5250 8.676766 1218.571   60.13433 1218.571   60.13433 ?          ?        346.5250 8.676766 ?        ?        ?         ?        
1 1 1 7  58 8  o 85.17028 11.65646 74.88425   19.85567 74.88425   19.85567 ?          ?        85.17028 11.65646 ?        ?        ?         ?        
1 1 1 7  58 9  o 222.4944 7.266787 502.0649   32.33638 502.0649   32.33638 ?          ?        222.4944 7.266787 ?        ?        ?         ?        
1 1 1 7  58 10 o 78.44918 12.65512 64.67276   19.85567 64.67276   19.85567 ?          ?        78.44918 12.65512 ?        ?        ?         ?        
1 1 1 7  58 11 o 103.1503 9.899622 110.0572   20.42298 110.0572   20.42298 ?          ?        103.1503 9.899622 ?        ?        ?         ?        
1 1 1 7  59 0  o 430.7285 13.99351 1884.587   120.2687 1884.587   120.2687 1884.587   120.2687 430.7285 13.99351 430.7285 13.99351 -0.000000 0.000000 
1 1 1 7  59 1  o 36.86758 16.14811 -3.971134  22.69220 -3.971134  22.69220 ?          ?        36.86758 16.14811 ?        ?        ?         ?        
1 1 1 7  59 2  o 92.43578 12.58144 87.36497   23.25950 87.36497   23.25950 ?          ?        92.43578 12.58144 ?        ?        ?         ?        
1 1 1 7  59 3  o 184.7039 7.985714 344.3541   29.49986 344.3541   29.49986 ?          ?        184.7039 7.985714 ?        ?        ?         ?        
1 1 1 7  59 4  o 64.75520 16.57504 45.38440   21.55759 45.38440   21.55759 ?          ?        64.75520 16.57504 ?        ?        ?         ?        
1 1 1 7  59 5  o 53.83859 17.25151 30.06716   20.99029 30.06716   20.99029 ?          ?        53.83859 17.25151 ?        ?        ?         ?        
1 1 1 7  59 6  o 168.4639 7.240162 286.4890   24.39412 286.4890   24.39412 ?          ?        168.4639 7.240162 ?        ?        ?         ?        
1 1 1 7  59 7  o 178.8439 6.978548 323.3638   24.96142 323.3638   24.96142 ?          ?        178.8439 6.978548 ?        ?        ?         ?        
1 1 1 7  59 8  o 264.9623 7.707880 712.5350   40.84595 712.5350   40.84595 ?          ?        264.9623 7.707880 ?        ?        ?         ?        
1 1 1 7  59 9  o 159.2399 8.015804 258.1238   25.52872 258.1238   25.52872 ?          ?        159.2399 8.015804 ?        ?        ?         ?        
1 1 1 7  59 10 o 25.36808 12.28166 -29.49986  19.28837 -29.49986  19.28837 ?          ?        25.36808 12.28166 ?        ?        ?         ?        
1 1 1 7  60 0  o 186.7629 10.70497 355.1329   39.71135 355.1329   39.71135 355.1329   39.71135 186.7629 10.70497 186.7629 10.70497 -0.000000 0.000000 
1 1 1 7  60 1  o 84.43097 15.70482 76.01886   25.52872 76.01886   25.52872 ?          ?        84.43097 15.70482 ?        ?        ?         ?        
1 1 1 7  60 2  o 107.6757 10.80072 117.9994   23.25950 117.9994   23.25950 ?          ?        107.6757 10.80072 ?        ?        ?         ?        
1 1 1 7  60 3  o 165.1711 8.071427 275.7102   26.66333 275.7102   26.66333 ?          ?        165.1711 8.071427 ?        ?        ?         ?        
1 1 1 7  60 4  o 80.07816 15.42775 68.64390   23.82681 68.64390   23.82681 ?          ?        80.07816 15.42775 ?        ?        ?         ?        
1 1 1 7  60 5  o 62.97741 17.11933 43.11518   22.12490 43.11518   22.12490 ?          ?        62.97741 17.11933 ?        ?        ?         ?        
1 1 1 7  60 6  o 58.01635 18.35904 36.30752   23.82681 36.30752   23.82681 ?          ?        58.01635 18.35904 ?        ?        ?         ?        
1 1 1 7  60 7  o 154.4306 8.265433 242.8065   25.52872 242.8065   25.52872 ?          ?        154.4306 8.265433 ?        ?        ?         ?        
1 1 1 7  60 8  o 207.7355 7.646522 438.5268   31.76908 438.5268   31.76908 ?          ?        207.7355 7.646522 ?        ?        ?         ?        
1 1 1 7  60 9  o 76.73454 12.56825 61.83624   19.28837 61.83624   19.28837 ?          ?        76.73454 12.56825 ?        ?        ?         ?        
1 1 1 7  60 10 o 172.4085 7.732603 303.5081   26.66333 303.5081   26.66333 ?          ?        172.4085 7.732603 ?        ?        ?         ?        
1 1 1 7  61 0  o 71.92793 25.90671 70.91312   34.03830 70.91312   34.03830 70.91312   34.03830 71.92793 25.90671 71.92793 25.90671 -0.000000 0.000000 
1 1 1 7  61 1  o 119.4907 10.20754 145.2301   24.39412 145.2301   24.39412 ?          ?        119.4907 10.20754 ?        ?        ?         ?        
1 1 1 7  61 2  o 257.4981 7.270370 668.8526   37.44213 668.8526   37.44213 ?          ?        257.4981 7.270370 ?        ?        ?         ?        
1 1 1 7  61 3  o 113.8878 10.70972 132.1821   24.39412 132.1821   24.39412 ?          ?        113.8878 10.70972 ?        ?        ?         ?        
1 1 1 7  61 4  o 142.3754 8.566833 205.3644   24.39412 205.3644   24.39412 ?          ?        142.3754 8.566833 ?        ?        ?         ?        
1 1 1 7  61 5  o 116.4270 9.745249 138.4224   22.69220 138.4224   22.69220 ?          ?        116.4270 9.745249 ?        ?        ?         ?        
1 1 1 7  61 6  o 128.4293 8.613646 167.9223   22.12490 167.9223   22.12490 ?          ?        128.4293 8.613646 ?        ?        ?         ?        
1 1 1 7  61 7  o 87.05064 12.70806 78.85539   22.12490 78.85539   22.12490 ?          ?        87.05064 12.70806 ?        ?        ?         ?        
1 1 1 7  61 8  o 78.20601 15.04478 66.94199   22.69220 66.94199   22.69220 ?          ?        78.20601 15.04478 ?        ?        ?         ?        
1 1 1 7  61 9  o 51.08048 17.71102 27.23064   22.12490 27.23064   22.12490 ?          ?        51.08048 17.71102 ?        ?        ?         ?        
1 1 1 7  62 0  f 32.94472 21.22430 3.971134   31.20177 3.971134   31.20177 3.971134   31.20177 32.94472 21.22430 32.94472 21.22430 -0.000000 0.000000 
1 1 1 7  62 1  f 110.0214 10.05481 123.1052   22.12490 123.1052   22.12490 ?          ?        110.0214 10.05481 ?        ?        ?         ?        
1 1 1 7  62 2  o 168.1801 7.927017 285.9217   26.66333 285.9217   26.66333 ?          ?        168.1801 7.927017 ?        ?        ?         ?        
1 1 1 7  62 3  o 284.1438 7.886340 816.9191   44.81709 816.9191   44.81709 ?          ?        284.1438 7.886340 ?        ?        ?         ?        
1 1 1 7  62 4  o 93.57508 12.73139 90.76879   23.82681 90.76879   23.82681 ?          ?        93.57508 12.73139 ?        ?        ?         ?        
1 1 1 7  62 5  o 157.8519 8.086287 253.0180   25.52872 253.0180   25.52872 ?          ?        157.8519 8.086287 ?        ?        ?         ?        
1 1 1 7  62 6  o 149.8653 8.517225 228.6239   25.52872 228.6239   25.52872 ?          ?        149.8653 8.517225 ?        ?        ?         ?        
1 1 1 7  62 7  o 97.43417 11.06264 98.14376   21.55759 98.14376   21.55759 ?          ?        97.43417 11.06264 ?        ?        ?         ?        
1 1 1 7  62 8  o 65.67602 15.73172 48.22092   20.42298 48.22092   20.42298 ?          ?        65.67602 15.73172 ?        ?        ?         ?        
1 1 1 7  62 9  o 121.5439 9.101604 152.0377   22.12490 152.0377   22.12490 ?          ?        121.5439 9.101604 ?        ?        ?         ?        
1 1 1 7  63 0  o 305.2143 11.46632 947.3992   69.77851 947.3992   69.77851 947.3992   69.77851 305.2143 11.46632 305.2143 11.46632 -0.000000 0.000000 
1 1 1 7  63 1  o 47.58610 17.38297 20.42298   21.55759 20.42298   21.55759 ?          ?        47.58610 17.38297 ?        ?        ?         ?        
1 1 1 7  63 2  o 104.4397 11.67856 112.3264   24.39412 112.3264   24.39412 ?          ?        104.4397 11.67856 ?        ?        ?         ?        
1 1 1 7  63 3  o 86.65581 12.43863 77.72078   21.55759 77.72078   21.55759 ?          ?        86.65581 12.43863 ?        ?        ?         ?        
1 1 1 7  63 4  o 94.07711 11.45740 91.33610   21.55759 91.33610   21.55759 ?          ?        94.07711 11.45740 ?        ?        ?         ?        
1 1 1 7  63 5  o 70.68090 16.01867 55.02858   22.12490 55.02858   22.12490 ?          ?        70.68090 16.01867 ?        ?        ?         ?        
1 1 1 7  63 6  o 109.7613 10.59549 124.2398   23.25950 124.2398   23.25950 ?          ?        109.7613 10.59549 ?        ?        ?         ?        
1 1 1 7  63 7  o 141.5990 8.814122 205.3644   24.96142 205.3644   24.96142 ?          ?        141.5990 8.814122 ?        ?        ?         ?        
1 1 1 7  63 8  o 40.69386 16.79317 8.509575   22.12490 8.509575   22.12490 ?          ?        40.69386 16.79317 ?        ?        ?         ?        
1 1 1 7  64 0  o 143.9655 12.59647 215.5759   35.74022 215.5759   35.74022 215.5759   35.74022 143.9655 12.59647 143.9655 12.59647 -0.000000 0.000000 
1 1 1 7  64 1  o 335.4817 8.624184 1144.254   57.86510 1144.254   57.86510 ?          ?        335.4817 8.624184 ?        ?        ?         ?        
1 1 1 7  64 2  o 204.0497 8.062667 422.6422   32.90369 422.6422   32.90369 ?          ?        204.0497 8.062667 ?        ?        ?         ?        
1 1 1 7  64 3  o 86.15883 12.18116 77.15348   20.99029 77.15348   20.99029 ?          ?        86.15883 12.18116 ?        ?        ?         ?        
1 1 1 7  64 4  o 135.3303 8.803207 186.6433   23.82681 186.6433   23.82681 ?          ?        135.3303 8.803207 ?        ?        ?         ?        
1 1 1 7  64 5  o 118.3032 10.31000 144.0954   24.39412 144.0954   24.39412 ?          ?        118.3032 10.31000 ?        ?        ?         ?        
1 1 1 7  64 6  o 160.1983 7.967849 261.5276   25.52872 261.5276   25.52872 ?          ?        160.1983 7.967849 ?        ?        ?         ?        
1 1 1 7  64 7  o 250.7700 7.804770 641.0546   39.14404 641.0546   39.14404 ?          ?        250.7700 7.804770 ?        ?        ?         ?        
1 1 1 7  64 8  o 219.6495 7.490046 491.8534   32.90369 491.8534   32.90369 ?          ?        219.6495 7.490046 ?        ?        ?         ?        
1 1 1 7  65 0  o 77.42268 23.92242 78.28809   32.33638 78.28809   32.33638 78.28809   32.33638 77.42268 23.92242 77.42268 23.92242 -0.000000 0.000000 
1 1 1 7  65 1  o 214.1477 7.682476 465.7574   32.90369 465.7574   32.90369 ?          ?        214.1477 7.682476 ?        ?        ?         ?        
1 1 1 7  65 2  o 153.9525 8.843844 241.6719   27.23064 241.6719   27.23064 ?          ?        153.9525 8.843844 ?        ?        ?         ?        
1 1 1 7  65 3  o 88.41218 12.19153 81.12460   21.55759 81.12460   21.55759 ?          ?        88.41218 12.19153 ?        ?        ?         ?        
1 1 1 7  65 4  o 116.4591 13.39603 142.3935   31.20177 142.3935   31.20177 ?          ?        116.4591 13.39603 ?        ?        ?         ?        
1 1 1 7  65 5  o 249.0198 7.631808 630.8431   38.00943 630.8431   38.00943 ?          ?        249.0198 7.631808 ?        ?        ?         ?        
1 1 1 7  65 6  o 87.19739 13.66257 80.55730   23.82681 80.55730   23.82681 ?          ?        87.19739 13.66257 ?        ?        ?         ?        
1 1 1 7  65 7  o 45.88879 17.27664 19.28837   21.55759 19.28837   21.55759 ?          ?        45.88879 17.27664 ?        ?        ?         ?        
1 1 1 7  66 0  o 162.0239 12.03694 271.7391   38.57674 271.7391   38.57674 271.7391   38.57674 162.0239 12.03694 162.0239 12.03694 -0.000000 0.000000 
1 1 1 7  66 1  f 173.7383 8.326474 307.4793   28.93255 307.4793   28.93255 ?          ?        173.7383 8.326474 ?        ?        ?         ?        
1 1 1 7  66 2  o 193.9654 8.335605 383.4982   32.33638 383.4982   32.33638 ?          ?        193.9654 8.335605 ?        ?        ?         ?        
1 1 1 7  66 3  o 132.9147 8.749787 180.4030   23.25950 180.4030   23.25950 ?          ?        132.9147 8.749787 ?        ?        ?         ?        
1 1 1 7  66 4  o 149.7766 10.60549 232.0277   31.76908 232.0277   31.76908 ?          ?        149.7766 10.60549 ?        ?        ?         ?        
1 1 1 7  66 5  o 57.80365 19.25877 36.87482   26.09603 36.87482   26.09603 ?          ?        57.80365 19.25877 ?        ?        ?         ?        
1 1 1 7  66 6  o 44.88713 17.33519 17.01915   22.12490 17.01915   22.12490 ?          ?        44.88713 17.33519 ?        ?        ?         ?        
1 1 1 7  67 0  o 163.6806 12.98402 279.1140   41.98057 279.1140   41.98057 279.1140   41.98057 163.6806 12.98402 163.6806 12.98402 -0.000000 0.000000 
1 1 1 7  67 1  o 149.8314 9.087095 229.7585   27.23064 229.7585   27.23064 ?          ?        149.8314 9.087095 ?        ?        ?         ?        
1 1 1 7  67 2  o 156.3031 9.799699 251.3161   30.63447 251.3161   30.63447 ?          ?        156.3031 9.799699 ?        ?        ?         ?        
1 1 1 7  67 3  o 107.7580 11.31893 120.8360   24.39412 120.8360   24.39412 ?          ?        107.7580 11.31893 ?        ?        ?         ?        
1 1 1 7  67 4  o 34.99865 15.91381 -10.77879  24.39412 -10.77879  24.39412 ?          ?        34.99865 15.91381 ?        ?        ?         ?        
1 1 1 7  67 5  o 117.8748 10.34746 144.0954   24.39412 144.0954   24.39412 ?          ?        117.8748 10.34746 ?        ?        ?         ?        
1 1 1 7  67 6  o 99.93864 12.20455 104.9514   24.39412 104.9514   24.39412 ?          ?        99.93864 12.20455 ?        ?        ?         ?        
1 1 1 7  68 0  o 66.91982 27.54294 68.07660   36.30752 68.07660   36.30752 68.07660   36.30752 66.91982 27.54294 66.91982 27.54294 -0.000000 0.000000 
1 1 1 7  68 1  f 91.69760 13.61073 89.06688   24.96142 89.06688   24.96142 ?          ?        91.69760 13.61073 ?        ?        ?         ?        
1 1 1 7  68 2  o 148.2000 9.378524 225.7874   27.79794 225.7874   27.79794 ?          ?        148.2000 9.378524 ?        ?        ?         ?        
1 1 1 7  68 3  o 109.5419 11.13460 124.8071   24.39412 124.8071   24.39412 ?          ?        109.5419 11.13460 ?        ?        ?         ?        
1 1 1 7  68 4  o 36.26765 16.15979 -5.105744  23.82681 -5.105744  23.82681 ?          ?        36.26765 16.15979 ?        ?        ?         ?        
1 1 1 7  68 5  o 116.4543 10.47368 140.6916   24.39412 140.6916   24.39412 ?          ?        116.4543 10.47368 ?        ?        ?         ?        
1 1 1 7  69 0  o 43.30937 25.50764 27.79794   36.87482 27.79794   36.87482 27.79794   36.87482 43.30937 25.50764 43.30937 25.50764 -0.000000 0.000000 
1 1 1 7  69 1  o 128.5571 9.928947 170.7588   25.52872 170.7588   25.52872 ?          ?        128.5571 9.928947 ?        ?        ?         ?        
1 1 1 7  69 2  o 99.08341 13.45499 104.3841   26.66333 104.3841   26.66333 ?          ?        99.08341 13.45499 ?        ?        ?         ?        
1 1 1 7  69 3  o 143.1866 8.716395 210.4701   24.96142 210.4701   24.96142 ?          ?        143.1866 8.716395 ?        ?        ?         ?        
1 1 1 7  70 0  o 40.01021 24.72457 19.28837   38.00943 19.28837   38.00943 19.28837   38.00943 40.01021 24.72457 40.01021 24.72457 -0.000000 0.000000 
1 1 1 7  70 1  o 87.83430 13.88644 82.25922   24.39412 82.25922   24.39412 ?          ?        87.83430 13.88644 ?        ?        ?         ?        
1 1 1 8  0  0  o 487.4861 21.67952 2393.459   210.4701 2393.459   210.4701 2393.459   210.4701 487.4861 21.67952 487.4861 21.67952 -0.000000 0.000000 
1 1 1 8  0  1  o 315.7915 8.186052 999.5914   51.62476 999.5914   51.62476 999.5914   51.62476 315.7915 8.186052 315.7915 8.186052 -0.000000 0.000000 
1 1 1 8  0  2  o 423.5016 10.52997 1797.789   89.06688 1797.789   89.06688 1797.789   89.06688 423.5016 10.52997 423.5016 10.52997 -0.000000 0.000000 
1 1 1 8  0  3  o 46.87439 10.39867 24.96142   8.509575 24.96142   8.509575 24.96142   8.509575 46.87439 10.39867 46.87439 10.39867 -0.000000 0.000000 
1 1 1 8  0  4  o 225.4589 5.543125 509.4399   24.96142 509.4399   24.96142 509.4399   24.96142 225.4589 5.543125 225.4589 5.543125 -0.000000 0.000000 
1 1 1 8  0  5  o 25.57240 13.16252 9.644185   8.509575 9.644185   8.509575 9.644185   8.509575 25.57240 13.16252 25.57240 13.16252 -0.000000 0.000000 
1 1 1 8  0  6  o 422.2111 9.146391 1787.578   77.15348 1787.578   77.15348 1787.578   77.15348 422.2111 9.146391 422.2111 9.146391 -0.000000 0.000000 
1 1 1 8  0  7  o 13.65891 9.291131 -3.403830  7.374964 -3.403830  7.374964 -3.403830  7.374964 13.65891 9.291131 13.65891 9.291131 -0.000000 0.000000 
1 1 1 8  0  8  o 46.47934 12.02759 25.52872   9.644185 25.52872   9.644185 25.52872   9.644185 46.47934 12.02759 46.47934 12.02759 -0.000000 0.000000 
1 1 1 8  0  9  o 205.5093 7.614118 424.3441   31.20177 424.3441   31.20177 424.3441   31.20177 205.5093 7.614118 205.5093 7.614118 -0.000000 0.000000 
1 1 1 8  0  10 o 557.1092 15.86299 3118.475   176.4319 3118.475   176.4319 3118.475   176.4319 557.1092 15.86299 557.1092 15.86299 -0.000000 0.000000 
1 1 1 8  0  11 o 351.8957 10.41844 1242.965   73.18234 1242.965   73.18234 1242.965   73.18234 351.8957 10.41844 351.8957 10.41844 -0.000000 0.000000 
1 1 1 8  0  12 o 123.7952 9.268496 156.0089   22.69220 156.0089   22.69220 156.0089   22.69220 123.7952 9.268496 123.7952 9.268496 -0.000000 0.000000 
1 1 1 8  0  13 o 71.21828 12.09139 54.46128   15.88454 54.46128   15.88454 54.46128   15.88454 71.21828 12.09139 71.21828 12.09139 -0.000000 0.000000 
1 1 1 8  0  14 o 37.02571 18.45363 20.42298   16.45185 20.42298   16.45185 20.42298   16.45185 37.02571 18.45363 37.02571 18.45363 -0.000000 0.000000 
1 1 1 8  0  15 o 36.48565 18.65129 19.85567   17.01915 19.85567   17.01915 19.85567   17.01915 36.48565 18.65129 36.48565 18.65129 -0.000000 0.000000 
1 1 1 8  0  16 f 405.2108 15.16656 1666.742   122.5379 1666.742   122.5379 1666.742   122.5379 405.2108 15.16656 405.2108 15.16656 -0.000000 0.000000 
1 1 1 8  0  17 o 30.94350 17.70153 13.04801   17.01915 13.04801   17.01915 13.04801   17.01915 30.94350 17.70153 30.94350 17.70153 -0.000000 0.000000 
1 1 1 8  0  18 o 25.22161 16.22815 2.269220   18.15376 2.269220   18.15376 2.269220   18.15376 25.22161 16.22815 25.22161 16.22815 -0.000000 0.000000 
1 1 1 8  0  19 f 60.22696 17.88862 45.95170   18.72106 45.95170   18.72106 45.95170   18.72106 60.22696 17.88862 60.22696 17.88862 -0.000000 0.000000 
1 1 1 8  1  0  o 1456.641 34.51031 21387.96   1004.130 21387.96   1004.130 21387.96   1004.130 1456.641 34.51031 1456.641 34.51031 -0.000000 0.000000 
1 1 1 8  1  1  o 101.3243 3.919232 102.6822   7.942269 102.6822   7.942269 ?          ?        101.3243 3.919232 ?        ?        ?         ?        
1 1 1 8  1  2  f 303.3066 5.050082 920.1687   30.63447 920.1687   30.63447 ?          ?        303.3066 5.050082 ?        ?        ?         ?        
1 1 1 8  1  3  o 277.8357 4.390026 772.1021   24.39412 772.1021   24.39412 ?          ?        277.8357 4.390026 ?        ?        ?         ?        
1 1 1 8  1  4  o 459.1236 9.823226 2113.211   90.20149 2113.211   90.20149 ?          ?        459.1236 9.823226 ?        ?        ?         ?        
1 1 1 8  1  5  o 85.52783 3.979792 73.18234   6.807660 73.18234   6.807660 ?          ?        85.52783 3.979792 ?        ?        ?         ?        
1 1 1 8  1  6  o 400.2266 6.095076 1603.771   48.78823 1603.771   48.78823 ?          ?        400.2266 6.095076 ?        ?        ?         ?        
1 1 1 8  1  7  o 94.35521 3.607464 89.06688   6.807660 89.06688   6.807660 ?          ?        94.35521 3.607464 ?        ?        ?         ?        
1 1 1 8  1  8  o 631.2126 9.347043 3996.663   117.9994 3996.663   117.9994 ?          ?        631.2126 9.347043 ?        ?        ?         ?        
1 1 1 8  1  9  o 255.4359 5.885462 652.9680   30.06716 652.9680   30.06716 ?          ?        255.4359 5.885462 ?        ?        ?         ?        
1 1 1 8  1  10 o 659.5291 16.64423 4372.219   219.5470 4372.219   219.5470 ?          ?        659.5291 16.64423 ?        ?        ?         ?        
1 1 1 8  1  11 o 286.2001 6.144812 819.7557   35.17290 819.7557   35.17290 ?          ?        286.2001 6.144812 ?        ?        ?         ?        
1 1 1 8  1  12 o 714.7111 16.62915 5150.562   237.7008 5150.562   237.7008 ?          ?        714.7111 16.62915 ?        ?        ?         ?        
1 1 1 8  1  13 o 471.8653 11.18102 2236.884   105.5187 2236.884   105.5187 ?          ?        471.8653 11.18102 ?        ?        ?         ?        
1 1 1 8  1  14 o 292.7268 7.170606 858.8997   41.98057 858.8997   41.98057 ?          ?        292.7268 7.170606 ?        ?        ?         ?        
1 1 1 8  1  15 o 148.9421 6.094232 222.3835   18.15376 222.3835   18.15376 ?          ?        148.9421 6.094232 ?        ?        ?         ?        
1 1 1 8  1  16 o 289.8778 8.317457 845.8517   48.22092 845.8517   48.22092 ?          ?        289.8778 8.317457 ?        ?        ?         ?        
1 1 1 8  1  17 o 72.58582 8.987990 53.32666   13.04801 53.32666   13.04801 ?          ?        72.58582 8.987990 ?        ?        ?         ?        
1 1 1 8  1  18 o 64.92213 10.04897 43.11518   13.04801 43.11518   13.04801 ?          ?        64.92213 10.04897 ?        ?        ?         ?        
1 1 1 8  1  19 o 103.3788 6.859542 108.3553   14.18262 108.3553   14.18262 ?          ?        103.3788 6.859542 ?        ?        ?         ?        
1 1 1 8  2  0  o 474.1383 9.940656 2252.201   94.17262 2252.201   94.17262 2252.201   94.17262 474.1383 9.940656 474.1383 9.940656 -0.000000 0.000000 
1 1 1 8  2  1  o 212.6192 4.002261 452.1420   17.01915 452.1420   17.01915 ?          ?        212.6192 4.002261 ?        ?        ?         ?        
1 1 1 8  2  2  o 878.9222 14.81320 7740.876   260.3930 7740.876   260.3930 ?          ?        878.9222 14.81320 ?        ?        ?         ?        
1 1 1 8  2  3  o 198.9605 5.132421 395.9789   20.42298 395.9789   20.42298 ?          ?        198.9605 5.132421 ?        ?        ?         ?        
1 1 1 8  2  4  o 736.6269 10.82045 5442.724   159.4127 5442.724   159.4127 ?          ?        736.6269 10.82045 ?        ?        ?         ?        
1 1 1 8  2  5  o 136.5988 3.114805 186.6433   8.509575 186.6433   8.509575 ?          ?        136.5988 3.114805 ?        ?        ?         ?        
1 1 1 8  2  6  o 151.7300 3.738911 230.3258   11.34610 230.3258   11.34610 ?          ?        151.7300 3.738911 ?        ?        ?         ?        
1 1 1 8  2  7  o 193.0201 3.526917 372.7193   13.61532 372.7193   13.61532 ?          ?        193.0201 3.526917 ?        ?        ?         ?        
1 1 1 8  2  8  o 199.6523 3.835977 398.8154   15.31723 398.8154   15.31723 ?          ?        199.6523 3.835977 ?        ?        ?         ?        
1 1 1 8  2  9  o 112.9622 3.766559 127.6436   8.509575 127.6436   8.509575 ?          ?        112.9622 3.766559 ?        ?        ?         ?        
1 1 1 8  2  10 o 798.4059 16.94655 6408.844   270.6045 6408.844   270.6045 ?          ?        798.4059 16.94655 ?        ?        ?         ?        
1 1 1 8  2  11 o 612.4591 12.22682 3762.934   149.7685 3762.934   149.7685 ?          ?        612.4591 12.22682 ?        ?        ?         ?        
1 1 1 8  2  12 o 251.2122 6.887723 631.9777   34.60560 631.9777   34.60560 ?          ?        251.2122 6.887723 ?        ?        ?         ?        
1 1 1 8  2  13 o 324.5339 8.041080 1055.755   52.19205 1055.755   52.19205 ?          ?        324.5339 8.041080 ?        ?        ?         ?        
1 1 1 8  2  14 o 243.7185 6.401192 595.1030   31.20177 595.1030   31.20177 ?          ?        243.7185 6.401192 ?        ?        ?         ?        
1 1 1 8  2  15 o 203.1725 6.980582 414.1326   28.36525 414.1326   28.36525 ?          ?        203.1725 6.980582 ?        ?        ?         ?        
1 1 1 8  2  16 o 239.1973 6.759353 574.6800   32.33638 574.6800   32.33638 ?          ?        239.1973 6.759353 ?        ?        ?         ?        
1 1 1 8  2  17 o 70.56319 9.647608 50.49014   13.61532 50.49014   13.61532 ?          ?        70.56319 9.647608 ?        ?        ?         ?        
1 1 1 8  2  18 o 162.9903 5.917031 267.7679   19.28837 267.7679   19.28837 ?          ?        162.9903 5.917031 ?        ?        ?         ?        
1 1 1 8  2  19 o 44.13109 14.18465 20.42298   14.18262 20.42298   14.18262 ?          ?        44.13109 14.18465 ?        ?        ?         ?        
1 1 1 8  3  0  o 53.32124 7.712389 29.49986   7.942269 29.49986   7.942269 29.49986   7.942269 53.32124 7.712389 53.32124 7.712389 -0.000000 0.000000 
1 1 1 8  3  1  o 130.2330 3.267058 169.6242   8.509575 169.6242   8.509575 ?          ?        130.2330 3.267058 ?        ?        ?         ?        
1 1 1 8  3  2  o 715.7585 12.12667 5130.139   173.5953 5130.139   173.5953 ?          ?        715.7585 12.12667 ?        ?        ?         ?        
1 1 1 8  3  3  o 96.15272 3.835027 92.47070   7.374964 92.47070   7.374964 ?          ?        96.15272 3.835027 ?        ?        ?         ?        
1 1 1 8  3  4  o 349.8639 7.702134 1225.946   53.89397 1225.946   53.89397 ?          ?        349.8639 7.702134 ?        ?        ?         ?        
1 1 1 8  3  5  o 242.0182 4.219307 586.0261   20.42298 586.0261   20.42298 ?          ?        242.0182 4.219307 ?        ?        ?         ?        
1 1 1 8  3  6  o 597.0640 8.836468 3574.021   105.5187 3574.021   105.5187 ?          ?        597.0640 8.836468 ?        ?        ?         ?        
1 1 1 8  3  7  o 102.7005 3.590518 105.5187   7.374964 105.5187   7.374964 ?          ?        102.7005 3.590518 ?        ?        ?         ?        
1 1 1 8  3  8  o 452.3809 6.771831 2049.673   61.26894 2049.673   61.26894 ?          ?        452.3809 6.771831 ?        ?        ?         ?        
1 1 1 8  3  9  o 381.5882 7.805145 1457.974   59.56702 1457.974   59.56702 ?          ?        381.5882 7.805145 ?        ?        ?         ?        
1 1 1 8  3  10 o 601.3362 12.83034 3627.348   154.3070 3627.348   154.3070 ?          ?        601.3362 12.83034 ?        ?        ?         ?        
1 1 1 8  3  11 f 85.85197 5.286355 73.74965   9.076880 73.74965   9.076880 ?          ?        85.85197 5.286355 ?        ?        ?         ?        
1 1 1 8  3  12 o 981.7672 24.78937 9817.779   486.7477 9817.779   486.7477 ?          ?        981.7672 24.78937 ?        ?        ?         ?        
1 1 1 8  3  13 o 274.2244 7.033790 753.3810   38.57674 753.3810   38.57674 ?          ?        274.2244 7.033790 ?        ?        ?         ?        
1 1 1 8  3  14 o 449.1516 10.73600 2028.115   96.44185 2028.115   96.44185 ?          ?        449.1516 10.73600 ?        ?        ?         ?        
1 1 1 8  3  15 o 358.0663 8.872403 1288.917   63.53815 1288.917   63.53815 ?          ?        358.0663 8.872403 ?        ?        ?         ?        
1 1 1 8  3  16 o 289.1458 7.553713 840.7460   43.68248 840.7460   43.68248 ?          ?        289.1458 7.553713 ?        ?        ?         ?        
1 1 1 8  3  17 o 147.3649 6.159457 218.4124   18.15376 218.4124   18.15376 ?          ?        147.3649 6.159457 ?        ?        ?         ?        
1 1 1 8  3  18 o 130.0873 6.323387 170.7588   16.45185 170.7588   16.45185 ?          ?        130.0873 6.323387 ?        ?        ?         ?        
1 1 1 8  3  19 f 204.7049 6.512628 424.3441   26.66333 424.3441   26.66333 ?          ?        204.7049 6.512628 ?        ?        ?         ?        
1 1 1 8  4  0  o 675.5416 14.16413 4574.180   191.1818 4574.180   191.1818 4574.180   191.1818 675.5416 14.16413 675.5416 14.16413 -0.000000 0.000000 
1 1 1 8  4  1  o 98.20000 3.177370 96.44185   6.240355 96.44185   6.240355 ?          ?        98.20000 3.177370 ?        ?        ?         ?        
1 1 1 8  4  2  o 490.5711 8.441847 2408.209   82.82652 2408.209   82.82652 ?          ?        490.5711 8.441847 ?        ?        ?         ?        
1 1 1 8  4  3  o 208.8375 4.618034 436.2575   19.28837 436.2575   19.28837 ?          ?        208.8375 4.618034 ?        ?        ?         ?        
1 1 1 8  4  4  o 388.5450 6.424332 1511.300   49.92284 1511.300   49.92284 ?          ?        388.5450 6.424332 ?        ?        ?         ?        
1 1 1 8  4  5  o 202.8920 4.194141 411.8634   17.01915 411.8634   17.01915 ?          ?        202.8920 4.194141 ?        ?        ?         ?        
1 1 1 8  4  6  o 101.3101 3.639797 102.6822   7.374964 102.6822   7.374964 ?          ?        101.3101 3.639797 ?        ?        ?         ?        
1 1 1 8  4  7  o 169.3893 3.684031 287.0563   12.48071 287.0563   12.48071 ?          ?        169.3893 3.684031 ?        ?        ?         ?        
1 1 1 8  4  8  o 315.1339 5.040569 993.9183   31.76908 993.9183   31.76908 ?          ?        315.1339 5.040569 ?        ?        ?         ?        
1 1 1 8  4  9  f 350.6755 7.198983 1231.052   50.49014 1231.052   50.49014 ?          ?        350.6755 7.198983 ?        ?        ?         ?        
1 1 1 8  4  10 o 233.4294 5.225159 545.1801   24.39412 545.1801   24.39412 ?          ?        233.4294 5.225159 ?        ?        ?         ?        
1 1 1 8  4  11 o 190.6280 5.654360 363.6425   21.55759 363.6425   21.55759 ?          ?        190.6280 5.654360 ?        ?        ?         ?        
1 1 1 8  4  12 o 489.1203 10.78658 2400.834   105.5187 2400.834   105.5187 ?          ?        489.1203 10.78658 ?        ?        ?         ?        
1 1 1 8  4  13 o 330.2307 8.074155 1093.197   53.32666 1093.197   53.32666 ?          ?        330.2307 8.074155 ?        ?        ?         ?        
1 1 1 8  4  14 o 389.7255 11.20852 1527.752   87.36497 1527.752   87.36497 ?          ?        389.7255 11.20852 ?        ?        ?         ?        
1 1 1 8  4  15 o 294.8177 7.504601 872.5150   44.24979 872.5150   44.24979 ?          ?        294.8177 7.504601 ?        ?        ?         ?        
1 1 1 8  4  16 o 254.4763 8.582818 652.4007   43.68248 652.4007   43.68248 ?          ?        254.4763 8.582818 ?        ?        ?         ?        
1 1 1 8  4  17 o 154.4773 6.059488 239.9700   18.72106 239.9700   18.72106 ?          ?        154.4773 6.059488 ?        ?        ?         ?        
1 1 1 8  4  18 o 22.53960 11.06109 -32.90369  17.01915 -32.90369  17.01915 ?          ?        22.53960 11.06109 ?        ?        ?         ?        
1 1 1 8  4  19 o 109.8957 6.968987 122.5379   15.31723 122.5379   15.31723 ?          ?        109.8957 6.968987 ?        ?        ?         ?        
1 1 1 8  5  0  o 786.4816 16.13664 6201.210   253.5853 6201.210   253.5853 6201.210   253.5853 786.4816 16.13664 786.4816 16.13664 -0.000000 0.000000 
1 1 1 8  5  1  o 546.4033 8.098375 2987.428   88.49958 2987.428   88.49958 ?          ?        546.4033 8.098375 ?        ?        ?         ?        
1 1 1 8  5  2  o 791.5726 11.53856 6273.826   182.6722 6273.826   182.6722 ?          ?        791.5726 11.53856 ?        ?        ?         ?        
1 1 1 8  5  3  o 45.17558 6.906778 20.42298   6.240355 20.42298   6.240355 ?          ?        45.17558 6.906778 ?        ?        ?         ?        
1 1 1 8  5  4  o 385.9880 6.393403 1491.445   49.35553 1491.445   49.35553 ?          ?        385.9880 6.393403 ?        ?        ?         ?        
1 1 1 8  5  5  o 174.0213 3.422973 302.9409   11.91340 302.9409   11.91340 ?          ?        174.0213 3.422973 ?        ?        ?         ?        
1 1 1 8  5  6  o 485.5730 8.470325 2363.392   82.25922 2363.392   82.25922 ?          ?        485.5730 8.470325 ?        ?        ?         ?        
1 1 1 8  5  7  o 301.8068 5.075179 911.6590   30.63447 911.6590   30.63447 ?          ?        301.8068 5.075179 ?        ?        ?         ?        
1 1 1 8  5  8  o 52.68346 6.999316 27.79794   7.374964 27.79794   7.374964 ?          ?        52.68346 6.999316 ?        ?        ?         ?        
1 1 1 8  5  9  o 462.8611 11.76622 2148.384   108.9226 2148.384   108.9226 ?          ?        462.8611 11.76622 ?        ?        ?         ?        
1 1 1 8  5  10 o 108.3449 4.450686 117.4321   9.644185 117.4321   9.644185 ?          ?        108.3449 4.450686 ?        ?        ?         ?        
1 1 1 8  5  11 o 268.7639 7.809934 723.3138   41.98057 723.3138   41.98057 ?          ?        268.7639 7.809934 ?        ?        ?         ?        
1 1 1 8  5  12 o 353.3655 8.589070 1251.475   60.70163 1251.475   60.70163 ?          ?        353.3655 8.589070 ?        ?        ?         ?        
1 1 1 8  5  13 o 345.3445 9.199243 1196.446   63.53815 1196.446   63.53815 ?          ?        345.3445 9.199243 ?        ?        ?         ?        
1 1 1 8  5  14 o 118.5059 6.223292 140.6916   14.74993 140.6916   14.74993 ?          ?        118.5059 6.223292 ?        ?        ?         ?        
1 1 1 8  5  15 o 137.8165 7.203662 190.6145   19.85567 190.6145   19.85567 ?          ?        137.8165 7.203662 ?        ?        ?         ?        
1 1 1 8  5  16 f 187.7719 6.193551 353.9983   23.25950 353.9983   23.25950 ?          ?        187.7719 6.193551 ?        ?        ?         ?        
1 1 1 8  5  17 o 31.29984 12.53975 5.105744   11.91340 5.105744   11.91340 ?          ?        31.29984 12.53975 ?        ?        ?         ?        
1 1 1 8  5  18 o 31.28516 12.71116 4.538440   12.48071 4.538440   12.48071 ?          ?        31.28516 12.71116 ?        ?        ?         ?        
1 1 1 8  5  19 o 111.1694 6.889140 125.3744   15.31723 125.3744   15.31723 ?          ?        111.1694 6.889140 ?        ?        ?         ?        
1 1 1 8  6  0  o 571.7458 12.11736 3275.619   138.4224 3275.619   138.4224 3275.619   138.4224 571.7458 12.11736 571.7458 12.11736 -0.000000 0.000000 
1 1 1 8  6  1  o 407.1390 6.270272 1658.232   51.05745 1658.232   51.05745 ?          ?        407.1390 6.270272 ?        ?        ?         ?        
1 1 1 8  6  2  o 382.2873 5.935902 1461.945   45.38440 1461.945   45.38440 ?          ?        382.2873 5.935902 ?        ?        ?         ?        
1 1 1 8  6  3  o 466.1754 7.058221 2175.047   65.80738 2175.047   65.80738 ?          ?        466.1754 7.058221 ?        ?        ?         ?        
1 1 1 8  6  4  o 263.3316 4.631825 693.8140   24.39412 693.8140   24.39412 ?          ?        263.3316 4.631825 ?        ?        ?         ?        
1 1 1 8  6  5  o 117.3909 3.382830 137.8551   7.942269 137.8551   7.942269 ?          ?        117.3909 3.382830 ?        ?        ?         ?        
1 1 1 8  6  6  o 546.4418 8.149714 2992.534   89.06688 2992.534   89.06688 ?          ?        546.4418 8.149714 ?        ?        ?         ?        
1 1 1 8  6  7  o 151.5417 3.743557 229.7585   11.34610 229.7585   11.34610 ?          ?        151.5417 3.743557 ?        ?        ?         ?        
1 1 1 8  6  8  o 109.6276 4.916094 120.2687   10.77879 120.2687   10.77879 ?          ?        109.6276 4.916094 ?        ?        ?         ?        
1 1 1 8  6  9  o 610.5596 15.47044 3745.347   188.9126 3745.347   188.9126 ?          ?        610.5596 15.47044 ?        ?        ?         ?        
1 1 1 8  6  10 f 281.6827 6.948251 794.2269   39.14404 794.2269   39.14404 ?          ?        281.6827 6.948251 ?        ?        ?         ?        
1 1 1 8  6  11 o 540.2333 13.59894 2930.697   146.9320 2930.697   146.9320 ?          ?        540.2333 13.59894 ?        ?        ?         ?        
1 1 1 8  6  12 o 385.1816 9.205154 1487.474   70.91312 1487.474   70.91312 ?          ?        385.1816 9.205154 ?        ?        ?         ?        
1 1 1 8  6  13 o 484.0584 13.53633 2359.421   131.0475 2359.421   131.0475 ?          ?        484.0584 13.53633 ?        ?        ?         ?        
1 1 1 8  6  14 o 284.3604 7.381577 810.6788   41.98057 810.6788   41.98057 ?          ?        284.3604 7.381577 ?        ?        ?         ?        
1 1 1 8  6  15 o 333.4128 8.337398 1117.023   55.59589 1117.023   55.59589 ?          ?        333.4128 8.337398 ?        ?        ?         ?        
1 1 1 8  6  16 o 298.1396 7.706406 894.6400   45.95170 894.6400   45.95170 ?          ?        298.1396 7.706406 ?        ?        ?         ?        
1 1 1 8  6  17 o 63.06766 8.995180 40.27865   11.34610 40.27865   11.34610 ?          ?        63.06766 8.995180 ?        ?        ?         ?        
1 1 1 8  6  18 o 167.9824 6.416620 284.7871   21.55759 284.7871   21.55759 ?          ?        167.9824 6.416620 ?        ?        ?         ?        
1 1 1 8  6  19 o 97.76434 6.963337 97.00916   13.61532 97.00916   13.61532 ?          ?        97.76434 6.963337 ?        ?        ?         ?        
1 1 1 8  7  0  o 648.4762 15.63586 4217.345   202.5279 4217.345   202.5279 4217.345   202.5279 648.4762 15.63586 648.4762 15.63586 -0.000000 0.000000 
1 1 1 8  7  1  o 223.9263 3.800168 501.4976   17.01915 501.4976   17.01915 ?          ?        223.9263 3.800168 ?        ?        ?         ?        
1 1 1 8  7  2  o 566.8400 8.406891 3215.485   95.30723 3215.485   95.30723 ?          ?        566.8400 8.406891 ?        ?        ?         ?        
1 1 1 8  7  3  o 443.9315 6.709033 1972.519   59.56702 1972.519   59.56702 ?          ?        443.9315 6.709033 ?        ?        ?         ?        
1 1 1 8  7  4  o 328.5883 6.129046 1080.716   40.27865 1080.716   40.27865 ?          ?        328.5883 6.129046 ?        ?        ?         ?        
1 1 1 8  7  5  o 178.3632 3.498678 318.2581   12.48071 318.2581   12.48071 ?          ?        178.3632 3.498678 ?        ?        ?         ?        
1 1 1 8  7  6  o 306.2959 4.815582 938.8898   29.49986 938.8898   29.49986 ?          ?        306.2959 4.815582 ?        ?        ?         ?        
1 1 1 8  7  7  o 162.9069 3.482388 265.4987   11.34610 265.4987   11.34610 ?          ?        162.9069 3.482388 ?        ?        ?         ?        
1 1 1 8  7  8  o 208.5285 4.760903 435.1229   19.85567 435.1229   19.85567 ?          ?        208.5285 4.760903 ?        ?        ?         ?        
1 1 1 8  7  9  o 368.2248 8.011371 1357.561   58.99971 1357.561   58.99971 ?          ?        368.2248 8.011371 ?        ?        ?         ?        
1 1 1 8  7  10 o 259.4909 6.558668 673.9583   34.03830 673.9583   34.03830 ?          ?        259.4909 6.558668 ?        ?        ?         ?        
1 1 1 8  7  11 o 531.5374 14.67525 2839.361   156.0089 2839.361   156.0089 ?          ?        531.5374 14.67525 ?        ?        ?         ?        
1 1 1 8  7  12 o 793.6251 21.90946 6390.124   347.7579 6390.124   347.7579 ?          ?        793.6251 21.90946 ?        ?        ?         ?        
1 1 1 8  7  13 o 399.1473 9.522657 1598.665   76.01886 1598.665   76.01886 ?          ?        399.1473 9.522657 ?        ?        ?         ?        
1 1 1 8  7  14 o 430.8994 10.26917 1865.866   88.49958 1865.866   88.49958 ?          ?        430.8994 10.26917 ?        ?        ?         ?        
1 1 1 8  7  15 o 280.7075 7.881834 791.3904   44.24979 791.3904   44.24979 ?          ?        280.7075 7.881834 ?        ?        ?         ?        
1 1 1 8  7  16 o 190.9700 6.535431 366.4790   24.96142 366.4790   24.96142 ?          ?        190.9700 6.535431 ?        ?        ?         ?        
1 1 1 8  7  17 o 270.4785 7.131201 737.4965   38.57674 737.4965   38.57674 ?          ?        270.4785 7.131201 ?        ?        ?         ?        
1 1 1 8  7  18 o 197.4332 6.177814 393.1424   24.39412 393.1424   24.39412 ?          ?        197.4332 6.177814 ?        ?        ?         ?        
1 1 1 8  7  19 o 197.6349 8.754931 399.9500   34.60560 399.9500   34.60560 ?          ?        197.6349 8.754931 ?        ?        ?         ?        
1 1 1 8  8  0  o 479.8916 10.23599 2307.229   98.14376 2307.229   98.14376 2307.229   98.14376 479.8916 10.23599 479.8916 10.23599 -0.000000 0.000000 
1 1 1 8  8  1  o 173.8801 3.262623 302.3735   11.34610 302.3735   11.34610 ?          ?        173.8801 3.262623 ?        ?        ?         ?        
1 1 1 8  8  2  o 461.2888 6.948518 2129.095   64.10546 2129.095   64.10546 ?          ?        461.2888 6.948518 ?        ?        ?         ?        
1 1 1 8  8  3  o 206.7880 3.703609 427.7480   15.31723 427.7480   15.31723 ?          ?        206.7880 3.703609 ?        ?        ?         ?        
1 1 1 8  8  4  o 254.8087 4.230151 649.5642   21.55759 649.5642   21.55759 ?          ?        254.8087 4.230151 ?        ?        ?         ?        
1 1 1 8  8  5  o 204.9802 3.874651 420.3730   15.88454 420.3730   15.88454 ?          ?        204.9802 3.874651 ?        ?        ?         ?        
1 1 1 8  8  6  o 405.3901 6.577204 1645.752   53.32666 1645.752   53.32666 ?          ?        405.3901 6.577204 ?        ?        ?         ?        
1 1 1 8  8  7  o 341.9845 5.723073 1170.917   39.14404 1170.917   39.14404 ?          ?        341.9845 5.723073 ?        ?        ?         ?        
1 1 1 8  8  8  o 371.9578 5.719450 1384.792   42.54787 1384.792   42.54787 ?          ?        371.9578 5.719450 ?        ?        ?         ?        
1 1 1 8  8  9  o 388.6748 7.881773 1512.435   61.26894 1512.435   61.26894 ?          ?        388.6748 7.881773 ?        ?        ?         ?        
1 1 1 8  8  10 o 254.0039 5.471951 645.5931   27.79794 645.5931   27.79794 ?          ?        254.0039 5.471951 ?        ?        ?         ?        
1 1 1 8  8  11 o 499.9742 12.65155 2509.190   126.5090 2509.190   126.5090 ?          ?        499.9742 12.65155 ?        ?        ?         ?        
1 1 1 8  8  12 o 595.5978 15.09707 3571.752   179.8357 3571.752   179.8357 ?          ?        595.5978 15.09707 ?        ?        ?         ?        
1 1 1 8  8  13 o 119.4869 5.934802 142.9609   14.18262 142.9609   14.18262 ?          ?        119.4869 5.934802 ?        ?        ?         ?        
1 1 1 8  8  14 o 755.8859 19.28828 5810.905   291.5948 5810.905   291.5948 ?          ?        755.8859 19.28828 ?        ?        ?         ?        
1 1 1 8  8  15 o 227.0446 7.246084 517.3821   32.90369 517.3821   32.90369 ?          ?        227.0446 7.246084 ?        ?        ?         ?        
1 1 1 8  8  16 o 394.0043 11.80672 1578.243   93.03801 1578.243   93.03801 ?          ?        394.0043 11.80672 ?        ?        ?         ?        
1 1 1 8  8  17 o 183.3860 8.043103 339.8157   29.49986 339.8157   29.49986 ?          ?        183.3860 8.043103 ?        ?        ?         ?        
1 1 1 8  8  18 f 63.47821 16.06476 44.24979   20.42298 44.24979   20.42298 ?          ?        63.47821 16.06476 ?        ?        ?         ?        
1 1 1 8  8  19 o 77.99596 17.19169 68.64390   26.09603 68.64390   26.09603 ?          ?        77.99596 17.19169 ?        ?        ?         ?        
1 1 1 8  9  0  f 769.5320 16.01285 5936.847   246.2104 5936.847   246.2104 5936.847   246.2104 769.5320 16.01285 769.5320 16.01285 -0.000000 0.000000 
1 1 1 8  9  1  o 393.3962 5.984592 1548.175   47.08631 1548.175   47.08631 ?          ?        393.3962 5.984592 ?        ?        ?         ?        
1 1 1 8  9  2  o 489.2782 7.304682 2395.729   71.48043 2395.729   71.48043 ?          ?        489.2782 7.304682 ?        ?        ?         ?        
1 1 1 8  9  3  o 107.0332 3.445176 114.5956   7.374964 114.5956   7.374964 ?          ?        107.0332 3.445176 ?        ?        ?         ?        
1 1 1 8  9  4  o 507.4569 7.657870 2578.968   77.72078 2578.968   77.72078 ?          ?        507.4569 7.657870 ?        ?        ?         ?        
1 1 1 8  9  5  o 129.9991 3.272935 169.0569   8.509575 169.0569   8.509575 ?          ?        129.9991 3.272935 ?        ?        ?         ?        
1 1 1 8  9  6  o 371.3502 7.256489 1381.388   53.89397 1381.388   53.89397 ?          ?        371.3502 7.256489 ?        ?        ?         ?        
1 1 1 8  9  7  o 329.0068 5.172887 1083.552   34.03830 1083.552   34.03830 ?          ?        329.0068 5.172887 ?        ?        ?         ?        
1 1 1 8  9  8  o 571.5734 12.25777 3280.724   140.1243 3280.724   140.1243 ?          ?        571.5734 12.25777 ?        ?        ?         ?        
1 1 1 8  9  9  o 222.7484 4.966343 496.3919   22.12490 496.3919   22.12490 ?          ?        222.7484 4.966343 ?        ?        ?         ?        
1 1 1 8  9  10 o 70.23547 4.846312 49.35553   6.807660 49.35553   6.807660 ?          ?        70.23547 4.846312 ?        ?        ?         ?        
1 1 1 8  9  11 o 301.2759 7.249581 908.8225   43.68248 908.8225   43.68248 ?          ?        301.2759 7.249581 ?        ?        ?         ?        
1 1 1 8  9  12 o 93.12789 5.177925 86.79766   9.644185 86.79766   9.644185 ?          ?        93.12789 5.177925 ?        ?        ?         ?        
1 1 1 8  9  13 o 229.5307 6.178967 527.5936   28.36525 527.5936   28.36525 ?          ?        229.5307 6.178967 ?        ?        ?         ?        
1 1 1 8  9  14 o 373.7847 10.09292 1403.512   75.45156 1403.512   75.45156 ?          ?        373.7847 10.09292 ?        ?        ?         ?        
1 1 1 8  9  15 o 234.4829 8.467854 552.5551   39.71135 552.5551   39.71135 ?          ?        234.4829 8.467854 ?        ?        ?         ?        
1 1 1 8  9  16 o 313.5398 9.951457 995.0529   62.40355 995.0529   62.40355 ?          ?        313.5398 9.951457 ?        ?        ?         ?        
1 1 1 8  9  17 o 145.3307 8.782974 213.8740   25.52872 213.8740   25.52872 ?          ?        145.3307 8.782974 ?        ?        ?         ?        
1 1 1 8  9  18 o 149.4389 8.921148 227.4893   26.66333 227.4893   26.66333 ?          ?        149.4389 8.921148 ?        ?        ?         ?        
1 1 1 8  9  19 o 134.6921 10.95085 188.3452   29.49986 188.3452   29.49986 ?          ?        134.6921 10.95085 ?        ?        ?         ?        
1 1 1 8  10 0  o 417.6166 9.111163 1747.299   76.01886 1747.299   76.01886 1747.299   76.01886 417.6166 9.111163 417.6166 9.111163 -0.000000 0.000000 
1 1 1 8  10 1  o 250.7996 4.297771 629.1412   21.55759 629.1412   21.55759 ?          ?        250.7996 4.297771 ?        ?        ?         ?        
1 1 1 8  10 2  o 474.8974 7.167506 2257.306   68.07660 2257.306   68.07660 ?          ?        474.8974 7.167506 ?        ?        ?         ?        
1 1 1 8  10 3  o 138.6588 3.273100 192.3164   9.076880 192.3164   9.076880 ?          ?        138.6588 3.273100 ?        ?        ?         ?        
1 1 1 8  10 4  o 345.4118 5.830526 1194.177   40.27865 1194.177   40.27865 ?          ?        345.4118 5.830526 ?        ?        ?         ?        
1 1 1 8  10 5  o 468.3006 7.026190 2196.605   65.80738 2196.605   65.80738 ?          ?        468.3006 7.026190 ?        ?        ?         ?        
1 1 1 8  10 6  o 445.6108 7.129333 1988.971   63.53815 1988.971   63.53815 ?          ?        445.6108 7.129333 ?        ?        ?         ?        
1 1 1 8  10 7  o 230.5941 4.305331 532.1321   19.85567 532.1321   19.85567 ?          ?        230.5941 4.305331 ?        ?        ?         ?        
1 1 1 8  10 8  o 822.1006 17.52772 6817.871   288.1909 6817.871   288.1909 ?          ?        822.1006 17.52772 ?        ?        ?         ?        
1 1 1 8  10 9  o 34.75379 9.517890 12.48071   6.807660 12.48071   6.807660 ?          ?        34.75379 9.517890 ?        ?        ?         ?        
1 1 1 8  10 10 f 188.2380 5.424776 354.5656   20.42298 354.5656   20.42298 ?          ?        188.2380 5.424776 ?        ?        ?         ?        
1 1 1 8  10 11 f 412.1938 9.083622 1702.482   74.88425 1702.482   74.88425 ?          ?        412.1938 9.083622 ?        ?        ?         ?        
1 1 1 8  10 12 o 116.4042 4.629899 135.5859   10.77879 135.5859   10.77879 ?          ?        116.4042 4.629899 ?        ?        ?         ?        
1 1 1 8  10 13 o 244.3642 7.893288 598.5067   38.57674 598.5067   38.57674 ?          ?        244.3642 7.893288 ?        ?        ?         ?        
1 1 1 8  10 14 o 371.5172 10.15452 1386.493   75.45156 1386.493   75.45156 ?          ?        371.5172 10.15452 ?        ?        ?         ?        
1 1 1 8  10 15 f 78.32780 14.29123 64.10546   21.55759 64.10546   21.55759 ?          ?        78.32780 14.29123 ?        ?        ?         ?        
1 1 1 8  10 16 o 112.5183 10.08379 128.2109   22.69220 128.2109   22.69220 ?          ?        112.5183 10.08379 ?        ?        ?         ?        
1 1 1 8  10 17 o 30.71347 14.25346 -17.01915  20.99029 -17.01915  20.99029 ?          ?        30.71347 14.25346 ?        ?        ?         ?        
1 1 1 8  10 18 o 121.4386 10.51096 151.4704   25.52872 151.4704   25.52872 ?          ?        121.4386 10.51096 ?        ?        ?         ?        
1 1 1 8  10 19 o 170.5584 8.980641 298.4024   30.63447 298.4024   30.63447 ?          ?        170.5584 8.980641 ?        ?        ?         ?        
1 1 1 8  11 0  o 464.5176 9.841121 2161.999   91.33610 2161.999   91.33610 2161.999   91.33610 464.5176 9.841121 464.5176 9.841121 -0.000000 0.000000 
1 1 1 8  11 1  o 495.8857 7.378953 2460.969   73.18234 2460.969   73.18234 ?          ?        495.8857 7.378953 ?        ?        ?         ?        
1 1 1 8  11 2  o 314.9930 5.132874 992.7838   32.33638 992.7838   32.33638 ?          ?        314.9930 5.132874 ?        ?        ?         ?        
1 1 1 8  11 3  o 461.6337 6.881880 2133.634   63.53815 2133.634   63.53815 ?          ?        461.6337 6.881880 ?        ?        ?         ?        
1 1 1 8  11 4  f 73.38599 5.024776 53.89397   7.374964 53.89397   7.374964 ?          ?        73.38599 5.024776 ?        ?        ?         ?        
1 1 1 8  11 5  o 330.6630 5.146977 1094.331   34.03830 1094.331   34.03830 ?          ?        330.6630 5.146977 ?        ?        ?         ?        
1 1 1 8  11 6  o 573.4333 8.557555 3296.042   98.14376 3296.042   98.14376 ?          ?        573.4333 8.557555 ?        ?        ?         ?        
1 1 1 8  11 7  o 219.1255 4.142321 480.5073   18.15376 480.5073   18.15376 ?          ?        219.1255 4.142321 ?        ?        ?         ?        
1 1 1 8  11 8  f 574.0429 12.25445 3309.657   140.6916 3309.657   140.6916 ?          ?        574.0429 12.25445 ?        ?        ?         ?        
1 1 1 8  11 9  o 391.3730 7.972387 1533.425   62.40355 1533.425   62.40355 ?          ?        391.3730 7.972387 ?        ?        ?         ?        
1 1 1 8  11 10 o 425.9838 8.722980 1817.645   74.31695 1817.645   74.31695 ?          ?        425.9838 8.722980 ?        ?        ?         ?        
1 1 1 8  11 11 o 816.0602 20.43816 6728.804   333.5753 6728.804   333.5753 ?          ?        816.0602 20.43816 ?        ?        ?         ?        
1 1 1 8  11 12 o 584.2115 21.12057 3458.291   246.7777 3458.291   246.7777 ?          ?        584.2115 21.12057 ?        ?        ?         ?        
1 1 1 8  11 13 o 45.48281 15.78842 18.72106   17.58645 18.72106   17.58645 ?          ?        45.48281 15.78842 ?        ?        ?         ?        
1 1 1 8  11 14 o 394.8973 11.56454 1568.598   91.33610 1568.598   91.33610 ?          ?        394.8973 11.56454 ?        ?        ?         ?        
1 1 1 8  11 15 o 180.6026 7.224710 327.3350   26.09603 327.3350   26.09603 ?          ?        180.6026 7.224710 ?        ?        ?         ?        
1 1 1 8  11 16 o 316.2699 9.955240 1012.639   62.97085 1012.639   62.97085 ?          ?        316.2699 9.955240 ?        ?        ?         ?        
1 1 1 8  11 17 o 48.98786 18.04034 20.99029   23.25950 20.99029   23.25950 ?          ?        48.98786 18.04034 ?        ?        ?         ?        
1 1 1 8  11 18 o 205.8504 8.543317 431.7191   35.17290 431.7191   35.17290 ?          ?        205.8504 8.543317 ?        ?        ?         ?        
1 1 1 8  11 19 o 139.8097 9.738465 201.3933   27.23064 201.3933   27.23064 ?          ?        139.8097 9.738465 ?        ?        ?         ?        
1 1 1 8  12 0  o 117.2397 5.591852 138.4224   13.04801 138.4224   13.04801 138.4224   13.04801 117.2397 5.591852 117.2397 5.591852 -0.000000 0.000000 
1 1 1 8  12 1  o 335.6557 5.239433 1127.235   35.17290 1127.235   35.17290 ?          ?        335.6557 5.239433 ?        ?        ?         ?        
1 1 1 8  12 2  o 98.47823 3.456429 97.00916   6.807660 97.00916   6.807660 ?          ?        98.47823 3.456429 ?        ?        ?         ?        
1 1 1 8  12 3  o 387.9239 5.995893 1506.195   46.51900 1506.195   46.51900 ?          ?        387.9239 5.995893 ?        ?        ?         ?        
1 1 1 8  12 4  o 340.9543 5.407590 1163.543   36.87482 1163.543   36.87482 ?          ?        340.9543 5.407590 ?        ?        ?         ?        
1 1 1 8  12 5  o 219.2798 3.880693 481.0746   17.01915 481.0746   17.01915 ?          ?        219.2798 3.880693 ?        ?        ?         ?        
1 1 1 8  12 6  o 295.5616 4.798535 874.2170   28.36525 874.2170   28.36525 ?          ?        295.5616 4.798535 ?        ?        ?         ?        
1 1 1 8  12 7  o 250.3940 4.191451 627.4393   20.99029 627.4393   20.99029 ?          ?        250.3940 4.191451 ?        ?        ?         ?        
1 1 1 8  12 8  o 272.1522 6.149315 741.4675   33.47099 741.4675   33.47099 ?          ?        272.1522 6.149315 ?        ?        ?         ?        
1 1 1 8  12 9  o 320.3169 6.730082 1026.822   43.11518 1026.822   43.11518 ?          ?        320.3169 6.730082 ?        ?        ?         ?        
1 1 1 8  12 10 o 406.5682 8.302332 1655.396   67.50929 1655.396   67.50929 ?          ?        406.5682 8.302332 ?        ?        ?         ?        
1 1 1 8  12 11 o 546.6859 11.93374 2999.342   130.4801 2999.342   130.4801 ?          ?        546.6859 11.93374 ?        ?        ?         ?        
1 1 1 8  12 12 o 97.22330 8.752608 94.73994   17.01915 94.73994   17.01915 ?          ?        97.22330 8.752608 ?        ?        ?         ?        
1 1 1 8  12 13 o 135.0020 7.984174 182.6722   21.55759 182.6722   21.55759 ?          ?        135.0020 7.984174 ?        ?        ?         ?        
1 1 1 8  12 14 o 460.5238 13.18100 2137.605   121.4033 2137.605   121.4033 ?          ?        460.5238 13.18100 ?        ?        ?         ?        
1 1 1 8  12 15 o 53.27387 17.95892 27.23064   22.69220 27.23064   22.69220 ?          ?        53.27387 17.95892 ?        ?        ?         ?        
1 1 1 8  12 16 o 401.8517 11.85851 1642.915   95.30723 1642.915   95.30723 ?          ?        401.8517 11.85851 ?        ?        ?         ?        
1 1 1 8  12 17 o 257.6374 9.358293 673.3909   48.22092 673.3909   48.22092 ?          ?        257.6374 9.358293 ?        ?        ?         ?        
1 1 1 8  12 18 o 179.6612 8.525622 329.0369   30.63447 329.0369   30.63447 ?          ?        179.6612 8.525622 ?        ?        ?         ?        
1 1 1 8  12 19 o 117.6165 10.85253 143.5282   25.52872 143.5282   25.52872 ?          ?        117.6165 10.85253 ?        ?        ?         ?        
1 1 1 8  13 0  o 974.9208 23.33472 9577.243   454.4113 9577.243   454.4113 9577.243   454.4113 974.9208 23.33472 974.9208 23.33472 -0.000000 0.000000 
1 1 1 8  13 1  o 240.9586 4.708733 580.9203   22.69220 580.9203   22.69220 ?          ?        240.9586 4.708733 ?        ?        ?         ?        
1 1 1 8  13 2  o 170.0685 3.502530 289.3255   11.91340 289.3255   11.91340 ?          ?        170.0685 3.502530 ?        ?        ?         ?        
1 1 1 8  13 3  o 203.1894 3.629601 412.9980   14.74993 412.9980   14.74993 ?          ?        203.1894 3.629601 ?        ?        ?         ?        
1 1 1 8  13 4  o 218.1173 3.771330 475.9689   16.45185 475.9689   16.45185 ?          ?        218.1173 3.771330 ?        ?        ?         ?        
1 1 1 8  13 5  o 601.3922 8.914369 3626.213   107.2206 3626.213   107.2206 ?          ?        601.3922 8.914369 ?        ?        ?         ?        
1 1 1 8  13 6  f 77.50800 5.489482 60.13433   8.509575 60.13433   8.509575 ?          ?        77.50800 5.489482 ?        ?        ?         ?        
1 1 1 8  13 7  o 34.72258 9.521671 12.48071   6.807660 12.48071   6.807660 ?          ?        34.72258 9.521671 ?        ?        ?         ?        
1 1 1 8  13 8  o 188.3887 4.968734 355.1329   18.72106 355.1329   18.72106 ?          ?        188.3887 4.968734 ?        ?        ?         ?        
1 1 1 8  13 9  o 570.8213 12.17454 3266.542   138.9897 3266.542   138.9897 ?          ?        570.8213 12.17454 ?        ?        ?         ?        
1 1 1 8  13 10 o 630.0818 14.49591 3987.019   182.6722 3987.019   182.6722 ?          ?        630.0818 14.49591 ?        ?        ?         ?        
1 1 1 8  13 11 o 207.1490 5.614197 429.4498   23.25950 429.4498   23.25950 ?          ?        207.1490 5.614197 ?        ?        ?         ?        
1 1 1 8  13 12 o 258.1714 9.338934 668.2853   48.22092 668.2853   48.22092 ?          ?        258.1714 9.338934 ?        ?        ?         ?        
1 1 1 8  13 13 o 257.3944 8.705920 664.3141   44.81709 664.3141   44.81709 ?          ?        257.3944 8.705920 ?        ?        ?         ?        
1 1 1 8  13 14 o 469.3223 13.29652 2221.566   124.8071 2221.566   124.8071 ?          ?        469.3223 13.29652 ?        ?        ?         ?        
1 1 1 8  13 15 o 330.5034 10.38475 1100.572   68.64390 1100.572   68.64390 ?          ?        330.5034 10.38475 ?        ?        ?         ?        
1 1 1 8  13 16 o 36.06123 15.94774 -6.240355  22.69220 -6.240355  22.69220 ?          ?        36.06123 15.94774 ?        ?        ?         ?        
1 1 1 8  13 17 o 206.8721 8.775353 433.4210   36.30752 433.4210   36.30752 ?          ?        206.8721 8.775353 ?        ?        ?         ?        
1 1 1 8  13 18 o 41.67706 18.83714 -11.34610  33.47099 -11.34610  33.47099 ?          ?        41.67706 18.83714 ?        ?        ?         ?        
1 1 1 8  13 19 o 174.8388 8.760777 313.1523   30.63447 313.1523   30.63447 ?          ?        174.8388 8.760777 ?        ?        ?         ?        
1 1 1 8  14 0  o 982.7263 20.28166 9720.771   398.2480 9720.771   398.2480 9720.771   398.2480 982.7263 20.28166 982.7263 20.28166 -0.000000 0.000000 
1 1 1 8  14 1  o 548.6838 8.168109 3015.793   89.63419 3015.793   89.63419 ?          ?        548.6838 8.168109 ?        ?        ?         ?        
1 1 1 8  14 2  o 171.3987 3.475348 293.8640   11.91340 293.8640   11.91340 ?          ?        171.3987 3.475348 ?        ?        ?         ?        
1 1 1 8  14 3  o 205.8192 3.721041 423.7768   15.31723 423.7768   15.31723 ?          ?        205.8192 3.721041 ?        ?        ?         ?        
1 1 1 8  14 4  o 287.8877 4.729385 829.3998   27.23064 829.3998   27.23064 ?          ?        287.8877 4.729385 ?        ?        ?         ?        
1 1 1 8  14 5  f 657.3178 9.752584 4334.210   128.2109 4334.210   128.2109 ?          ?        657.3178 9.752584 ?        ?        ?         ?        
1 1 1 8  14 6  o 242.5878 4.326328 588.8625   20.99029 588.8625   20.99029 ?          ?        242.5878 4.326328 ?        ?        ?         ?        
1 1 1 8  14 7  o 101.5856 3.909153 103.2495   7.942269 103.2495   7.942269 ?          ?        101.5856 3.909153 ?        ?        ?         ?        
1 1 1 8  14 8  o 645.2674 12.92392 4179.903   166.7877 4179.903   166.7877 ?          ?        645.2674 12.92392 ?        ?        ?         ?        
1 1 1 8  14 9  o 679.0472 15.58101 4630.343   211.6048 4630.343   211.6048 ?          ?        679.0472 15.58101 ?        ?        ?         ?        
1 1 1 8  14 10 o 464.3179 9.468973 2159.730   87.93227 2159.730   87.93227 ?          ?        464.3179 9.468973 ?        ?        ?         ?        
1 1 1 8  14 11 o 306.8377 7.487949 942.8608   45.95170 942.8608   45.95170 ?          ?        306.8377 7.487949 ?        ?        ?         ?        
1 1 1 8  14 12 o 269.7909 8.621306 729.5542   46.51900 729.5542   46.51900 ?          ?        269.7909 8.621306 ?        ?        ?         ?        
1 1 1 8  14 13 o 471.7171 13.46955 2239.720   127.0763 2239.720   127.0763 ?          ?        471.7171 13.46955 ?        ?        ?         ?        
1 1 1 8  14 14 o 205.2385 8.015963 422.6422   32.90369 422.6422   32.90369 ?          ?        205.2385 8.015963 ?        ?        ?         ?        
1 1 1 8  14 15 o 391.7463 11.58515 1549.877   90.76879 1549.877   90.76879 ?          ?        391.7463 11.58515 ?        ?        ?         ?        
1 1 1 8  14 16 o 242.1416 8.668600 591.6991   41.98057 591.6991   41.98057 ?          ?        242.1416 8.668600 ?        ?        ?         ?        
1 1 1 8  14 17 o 81.13869 20.86242 73.18234   34.03830 73.18234   34.03830 ?          ?        81.13869 20.86242 ?        ?        ?         ?        
1 1 1 8  14 18 o 60.71577 17.34897 40.84595   22.12490 40.84595   22.12490 ?          ?        60.71577 17.34897 ?        ?        ?         ?        
1 1 1 8  14 19 o 77.38933 16.95770 67.50929   25.52872 67.50929   25.52872 ?          ?        77.38933 16.95770 ?        ?        ?         ?        
1 1 1 8  15 0  o 803.6748 16.85195 6491.104   270.6045 6491.104   270.6045 6491.104   270.6045 803.6748 16.85195 803.6748 16.85195 -0.000000 0.000000 
1 1 1 8  15 1  o 334.9459 5.335222 1122.697   35.74022 1122.697   35.74022 ?          ?        334.9459 5.335222 ?        ?        ?         ?        
1 1 1 8  15 2  o 295.3867 4.993429 873.0823   29.49986 873.0823   29.49986 ?          ?        295.3867 4.993429 ?        ?        ?         ?        
1 1 1 8  15 3  o 405.6509 6.223349 1647.453   50.49014 1647.453   50.49014 ?          ?        405.6509 6.223349 ?        ?        ?         ?        
1 1 1 8  15 4  o 415.8905 6.411143 1731.982   53.32666 1731.982   53.32666 ?          ?        415.8905 6.411143 ?        ?        ?         ?        
1 1 1 8  15 5  o 233.7902 4.125146 546.8820   19.28837 546.8820   19.28837 ?          ?        233.7902 4.125146 ?        ?        ?         ?        
1 1 1 8  15 6  o 191.0923 3.710935 365.3444   14.18262 365.3444   14.18262 ?          ?        191.0923 3.710935 ?        ?        ?         ?        
1 1 1 8  15 7  o 176.9257 3.687428 313.1523   13.04801 313.1523   13.04801 ?          ?        176.9257 3.687428 ?        ?        ?         ?        
1 1 1 8  15 8  f 590.3420 11.82002 3495.166   139.5570 3495.166   139.5570 ?          ?        590.3420 11.82002 ?        ?        ?         ?        
1 1 1 8  15 9  o 667.7271 16.90716 4481.709   225.7874 4481.709   225.7874 ?          ?        667.7271 16.90716 ?        ?        ?         ?        
1 1 1 8  15 10 o 134.9201 4.414985 182.1049   11.91340 182.1049   11.91340 ?          ?        134.9201 4.414985 ?        ?        ?         ?        
1 1 1 8  15 11 o 236.0376 5.888457 557.6608   27.79794 557.6608   27.79794 ?          ?        236.0376 5.888457 ?        ?        ?         ?        
1 1 1 8  15 12 o 704.5626 17.99594 5016.111   253.5853 5016.111   253.5853 ?          ?        704.5626 17.99594 ?        ?        ?         ?        
1 1 1 8  15 13 o 476.5492 12.44014 2283.970   118.5667 2283.970   118.5667 ?          ?        476.5492 12.44014 ?        ?        ?         ?        
1 1 1 8  15 14 o 81.10233 12.94062 66.37468   20.99029 66.37468   20.99029 ?          ?        81.10233 12.94062 ?        ?        ?         ?        
1 1 1 8  15 15 o 147.7273 8.640491 219.5470   25.52872 219.5470   25.52872 ?          ?        147.7273 8.640491 ?        ?        ?         ?        
1 1 1 8  15 16 o 291.0994 12.56999 864.0055   73.18234 864.0055   73.18234 ?          ?        291.0994 12.56999 ?        ?        ?         ?        
1 1 1 8  15 17 o 104.8489 11.36245 112.3264   23.82681 112.3264   23.82681 ?          ?        104.8489 11.36245 ?        ?        ?         ?        
1 1 1 8  15 18 o 174.8063 9.249206 312.0177   32.33638 312.0177   32.33638 ?          ?        174.8063 9.249206 ?        ?        ?         ?        
1 1 1 8  15 19 o 87.11075 13.67616 80.55730   23.82681 80.55730   23.82681 ?          ?        87.11075 13.67616 ?        ?        ?         ?        
1 1 1 8  16 0  o 365.4940 8.002156 1338.840   58.43241 1338.840   58.43241 1338.840   58.43241 365.4940 8.002156 365.4940 8.002156 -0.000000 0.000000 
1 1 1 8  16 1  o 295.5865 4.798130 874.2170   28.36525 874.2170   28.36525 ?          ?        295.5865 4.798130 ?        ?        ?         ?        
1 1 1 8  16 2  o 96.72755 4.105484 93.60532   7.942269 93.60532   7.942269 ?          ?        96.72755 4.105484 ?        ?        ?         ?        
1 1 1 8  16 3  o 212.1809 4.010528 450.4402   17.01915 450.4402   17.01915 ?          ?        212.1809 4.010528 ?        ?        ?         ?        
1 1 1 8  16 4  o 343.0625 5.953136 1178.292   40.84595 1178.292   40.84595 ?          ?        343.0625 5.953136 ?        ?        ?         ?        
1 1 1 8  16 5  o 788.0444 12.38210 6240.922   195.1529 6240.922   195.1529 ?          ?        788.0444 12.38210 ?        ?        ?         ?        
1 1 1 8  16 6  f 264.2697 4.400713 698.9197   23.25950 698.9197   23.25950 ?          ?        264.2697 4.400713 ?        ?        ?         ?        
1 1 1 8  16 7  o 402.4353 7.259852 1621.925   58.43241 1621.925   58.43241 ?          ?        402.4353 7.259852 ?        ?        ?         ?        
1 1 1 8  16 8  o 247.5522 6.072893 613.2567   30.06716 613.2567   30.06716 ?          ?        247.5522 6.072893 ?        ?        ?         ?        
1 1 1 8  16 9  o 287.0911 8.694600 825.4287   49.92284 825.4287   49.92284 ?          ?        287.0911 8.694600 ?        ?        ?         ?        
1 1 1 8  16 10 o 293.8715 7.335719 864.5728   43.11518 864.5728   43.11518 ?          ?        293.8715 7.335719 ?        ?        ?         ?        
1 1 1 8  16 11 o 163.3990 5.207848 267.2006   17.01915 267.2006   17.01915 ?          ?        163.3990 5.207848 ?        ?        ?         ?        
1 1 1 8  16 12 o 331.6870 10.09114 1103.975   66.94199 1103.975   66.94199 ?          ?        331.6870 10.09114 ?        ?        ?         ?        
1 1 1 8  16 13 o 315.3096 9.805637 997.8894   61.83624 997.8894   61.83624 ?          ?        315.3096 9.805637 ?        ?        ?         ?        
1 1 1 8  16 14 o 174.8346 8.598745 306.9120   30.06716 306.9120   30.06716 ?          ?        174.8346 8.598745 ?        ?        ?         ?        
1 1 1 8  16 15 o 300.1389 13.13649 914.4956   78.85539 914.4956   78.85539 ?          ?        300.1389 13.13649 ?        ?        ?         ?        
1 1 1 8  16 16 o 142.0970 9.382091 204.2298   26.66333 204.2298   26.66333 ?          ?        142.0970 9.382091 ?        ?        ?         ?        
1 1 1 8  16 17 o 188.0030 8.599964 357.9694   32.33638 357.9694   32.33638 ?          ?        188.0030 8.599964 ?        ?        ?         ?        
1 1 1 8  16 18 o 54.83949 17.47411 32.33638   21.55759 32.33638   21.55759 ?          ?        54.83949 17.47411 ?        ?        ?         ?        
1 1 1 8  16 19 o 115.9158 11.74587 140.6916   27.23064 140.6916   27.23064 ?          ?        115.9158 11.74587 ?        ?        ?         ?        
1 1 1 8  17 0  o 32.40439 13.33367 14.74993   8.509575 14.74993   8.509575 14.74993   8.509575 32.40439 13.33367 32.40439 13.33367 -0.000000 0.000000 
1 1 1 8  17 1  o 296.9166 4.872169 882.1592   28.93255 882.1592   28.93255 ?          ?        296.9166 4.872169 ?        ?        ?         ?        
1 1 1 8  17 2  o 296.9003 4.967974 882.1592   29.49986 882.1592   29.49986 ?          ?        296.9003 4.967974 ?        ?        ?         ?        
1 1 1 8  17 3  f 864.5624 12.66419 7513.954   218.9797 7513.954   218.9797 ?          ?        864.5624 12.66419 ?        ?        ?         ?        
1 1 1 8  17 4  o 164.6303 3.962823 271.1718   13.04801 271.1718   13.04801 ?          ?        164.6303 3.962823 ?        ?        ?         ?        
1 1 1 8  17 5  o 598.7984 9.521426 3596.146   114.0283 3596.146   114.0283 ?          ?        598.7984 9.521426 ?        ?        ?         ?        
1 1 1 8  17 6  o 216.6611 3.927596 469.7285   17.01915 469.7285   17.01915 ?          ?        216.6611 3.927596 ?        ?        ?         ?        
1 1 1 8  17 7  o 252.3636 6.519103 637.6508   32.90369 637.6508   32.90369 ?          ?        252.3636 6.519103 ?        ?        ?         ?        
1 1 1 8  17 8  o 160.8002 5.115617 258.6910   16.45185 258.6910   16.45185 ?          ?        160.8002 5.115617 ?        ?        ?         ?        
1 1 1 8  17 9  o 629.9863 14.54313 3986.452   183.2395 3986.452   183.2395 ?          ?        629.9863 14.54313 ?        ?        ?         ?        
1 1 1 8  17 10 o 260.2914 8.064148 678.4968   41.98057 678.4968   41.98057 ?          ?        260.2914 8.064148 ?        ?        ?         ?        
1 1 1 8  17 11 o 110.6530 5.126882 122.5379   11.34610 122.5379   11.34610 ?          ?        110.6530 5.126882 ?        ?        ?         ?        
1 1 1 8  17 12 o 105.5287 9.945296 111.7591   20.99029 111.7591   20.99029 ?          ?        105.5287 9.945296 ?        ?        ?         ?        
1 1 1 8  17 13 f 397.2778 11.78084 1587.319   93.60532 1587.319   93.60532 ?          ?        397.2778 11.78084 ?        ?        ?         ?        
1 1 1 8  17 14 o 283.4334 10.60819 808.4095   60.13433 808.4095   60.13433 ?          ?        283.4334 10.60819 ?        ?        ?         ?        
1 1 1 8  17 15 o 371.1324 11.31148 1393.301   83.96114 1393.301   83.96114 ?          ?        371.1324 11.31148 ?        ?        ?         ?        
1 1 1 8  17 16 o 141.2792 9.235621 201.9606   26.09603 201.9606   26.09603 ?          ?        141.2792 9.235621 ?        ?        ?         ?        
1 1 1 8  17 17 o 108.8654 10.42213 120.8360   22.69220 120.8360   22.69220 ?          ?        108.8654 10.42213 ?        ?        ?         ?        
1 1 1 8  17 18 o 81.86774 15.46278 73.18234   24.39412 73.18234   24.39412 ?          ?        81.86774 15.46278 ?        ?        ?         ?        
1 1 1 8  17 19 o 187.4076 9.081353 361.3732   34.03830 361.3732   34.03830 ?          ?        187.4076 9.081353 ?        ?        ?         ?        
1 1 1 8  18 0  o 125.2879 6.374224 158.2781   15.88454 158.2781   15.88454 158.2781   15.88454 125.2879 6.374224 125.2879 6.374224 -0.000000 0.000000 
1 1 1 8  18 1  o 566.2466 8.415700 3213.215   95.30723 3213.215   95.30723 ?          ?        566.2466 8.415700 ?        ?        ?         ?        
1 1 1 8  18 2  o 108.0770 3.936812 116.8648   8.509575 116.8648   8.509575 ?          ?        108.0770 3.936812 ?        ?        ?         ?        
1 1 1 8  18 3  f 472.2475 7.267789 2234.047   68.64390 2234.047   68.64390 ?          ?        472.2475 7.267789 ?        ?        ?         ?        
1 1 1 8  18 4  o 420.4295 6.409395 1769.991   53.89397 1769.991   53.89397 ?          ?        420.4295 6.409395 ?        ?        ?         ?        
1 1 1 8  18 5  o 480.6717 7.317450 2314.604   70.34581 2314.604   70.34581 ?          ?        480.6717 7.317450 ?        ?        ?         ?        
1 1 1 8  18 6  o 339.2385 5.434941 1152.196   36.87482 1152.196   36.87482 ?          ?        339.2385 5.434941 ?        ?        ?         ?        
1 1 1 8  18 7  o 97.58688 5.231999 95.30723   10.21149 95.30723   10.21149 ?          ?        97.58688 5.231999 ?        ?        ?         ?        
1 1 1 8  18 8  o 57.82661 7.357836 33.47099   8.509575 33.47099   8.509575 ?          ?        57.82661 7.357836 ?        ?        ?         ?        
1 1 1 8  18 9  o 554.8626 11.96236 3088.408   132.7494 3088.408   132.7494 ?          ?        554.8626 11.96236 ?        ?        ?         ?        
1 1 1 8  18 10 o 78.58771 7.218749 61.83624   11.34610 61.83624   11.34610 ?          ?        78.58771 7.218749 ?        ?        ?         ?        
1 1 1 8  18 11 o 599.7050 15.18287 3621.675   182.1049 3621.675   182.1049 ?          ?        599.7050 15.18287 ?        ?        ?         ?        
1 1 1 8  18 12 o 231.6813 8.937551 538.3724   41.41326 538.3724   41.41326 ?          ?        231.6813 8.937551 ?        ?        ?         ?        
1 1 1 8  18 13 o 178.6953 9.206649 320.5273   32.90369 320.5273   32.90369 ?          ?        178.6953 9.206649 ?        ?        ?         ?        
1 1 1 8  18 14 o 362.6135 11.10787 1324.657   80.55730 1324.657   80.55730 ?          ?        362.6135 11.10787 ?        ?        ?         ?        
1 1 1 8  18 15 f 337.1307 10.51716 1147.658   70.91312 1147.658   70.91312 ?          ?        337.1307 10.51716 ?        ?        ?         ?        
1 1 1 8  18 16 o 294.3089 9.541538 877.6207   56.16319 877.6207   56.16319 ?          ?        294.3089 9.541538 ?        ?        ?         ?        
1 1 1 8  18 17 o 195.1840 9.010193 386.9020   35.17290 386.9020   35.17290 ?          ?        195.1840 9.010193 ?        ?        ?         ?        
1 1 1 8  18 18 o 61.30124 18.42069 41.98057   24.39412 41.98057   24.39412 ?          ?        61.30124 18.42069 ?        ?        ?         ?        
1 1 1 8  18 19 o 48.14273 18.93348 19.28837   26.66333 19.28837   26.66333 ?          ?        48.14273 18.93348 ?        ?        ?         ?        
1 1 1 8  19 0  o 69.97453 8.303693 51.05745   11.34610 51.05745   11.34610 51.05745   11.34610 69.97453 8.303693 69.97453 8.303693 -0.000000 0.000000 
1 1 1 8  19 1  o 337.1025 5.385233 1137.446   36.30752 1137.446   36.30752 ?          ?        337.1025 5.385233 ?        ?        ?         ?        
1 1 1 8  19 2  o 192.2770 3.835594 369.8828   14.74993 369.8828   14.74993 ?          ?        192.2770 3.835594 ?        ?        ?         ?        
1 1 1 8  19 3  o 169.0507 3.859203 285.9217   13.04801 285.9217   13.04801 ?          ?        169.0507 3.859203 ?        ?        ?         ?        
1 1 1 8  19 4  o 442.3222 6.861699 1959.471   60.70163 1959.471   60.70163 ?          ?        442.3222 6.861699 ?        ?        ?         ?        
1 1 1 8  19 5  o 408.2824 7.294830 1670.146   59.56702 1670.146   59.56702 ?          ?        408.2824 7.294830 ?        ?        ?         ?        
1 1 1 8  19 6  o 351.3188 5.732492 1235.590   40.27865 1235.590   40.27865 ?          ?        351.3188 5.732492 ?        ?        ?         ?        
1 1 1 8  19 7  o 470.5299 11.99644 2222.134   112.8937 2222.134   112.8937 ?          ?        470.5299 11.99644 ?        ?        ?         ?        
1 1 1 8  19 8  o 756.3549 15.07603 5742.828   228.0566 5742.828   228.0566 ?          ?        756.3549 15.07603 ?        ?        ?         ?        
1 1 1 8  19 9  o 51.05062 7.778818 26.09603   7.942269 26.09603   7.942269 ?          ?        51.05062 7.778818 ?        ?        ?         ?        
1 1 1 8  19 10 o 476.9555 10.58592 2281.133   100.9803 2281.133   100.9803 ?          ?        476.9555 10.58592 ?        ?        ?         ?        
1 1 1 8  19 11 o 500.6582 11.84109 2517.132   118.5667 2517.132   118.5667 ?          ?        500.6582 11.84109 ?        ?        ?         ?        
1 1 1 8  19 12 o 149.3076 8.359056 223.5181   24.96142 223.5181   24.96142 ?          ?        149.3076 8.359056 ?        ?        ?         ?        
1 1 1 8  19 13 o 372.1593 11.28027 1393.301   83.96114 1393.301   83.96114 ?          ?        372.1593 11.28027 ?        ?        ?         ?        
1 1 1 8  19 14 o 173.4892 8.338428 302.3735   28.93255 302.3735   28.93255 ?          ?        173.4892 8.338428 ?        ?        ?         ?        
1 1 1 8  19 15 o 207.0663 8.767122 431.7191   36.30752 431.7191   36.30752 ?          ?        207.0663 8.767122 ?        ?        ?         ?        
1 1 1 8  19 16 o 209.3999 8.940340 443.6324   37.44213 443.6324   37.44213 ?          ?        209.3999 8.940340 ?        ?        ?         ?        
1 1 1 8  19 17 o 247.1871 9.180171 621.7662   45.38440 621.7662   45.38440 ?          ?        247.1871 9.180171 ?        ?        ?         ?        
1 1 1 8  19 18 o 48.77600 18.99028 19.28837   26.66333 19.28837   26.66333 ?          ?        48.77600 18.99028 ?        ?        ?         ?        
1 1 1 8  19 19 o 172.7215 9.689299 308.0466   33.47099 308.0466   33.47099 ?          ?        172.7215 9.689299 ?        ?        ?         ?        
1 1 1 8  20 0  o 158.7558 5.373658 253.0180   17.01915 253.0180   17.01915 253.0180   17.01915 158.7558 5.373658 158.7558 5.373658 -0.000000 0.000000 
1 1 1 8  20 1  o 52.68145 6.999585 27.79794   7.374964 27.79794   7.374964 ?          ?        52.68145 6.999585 ?        ?        ?         ?        
1 1 1 8  20 2  o 414.1871 6.369026 1717.799   52.75936 1717.799   52.75936 ?          ?        414.1871 6.369026 ?        ?        ?         ?        
1 1 1 8  20 3  o 511.6810 7.650087 2623.218   78.28809 2623.218   78.28809 ?          ?        511.6810 7.650087 ?        ?        ?         ?        
1 1 1 8  20 4  o 620.4179 9.281075 3859.943   115.1629 3859.943   115.1629 ?          ?        620.4179 9.281075 ?        ?        ?         ?        
1 1 1 8  20 5  o 307.5521 4.980371 946.8319   30.63447 946.8319   30.63447 ?          ?        307.5521 4.980371 ?        ?        ?         ?        
1 1 1 8  20 6  o 466.0565 8.155540 2176.182   76.01886 2176.182   76.01886 ?          ?        466.0565 8.155540 ?        ?        ?         ?        
1 1 1 8  20 7  o 967.6108 22.22057 9462.646   430.0172 9462.646   430.0172 ?          ?        967.6108 22.22057 ?        ?        ?         ?        
1 1 1 8  20 8  f 243.0695 5.484714 591.1317   26.66333 591.1317   26.66333 ?          ?        243.0695 5.484714 ?        ?        ?         ?        
1 1 1 8  20 9  o 464.2946 10.81350 2160.865   100.4130 2160.865   100.4130 ?          ?        464.2946 10.81350 ?        ?        ?         ?        
1 1 1 8  20 10 o 363.3639 8.899173 1322.955   64.67276 1322.955   64.67276 ?          ?        363.3639 8.899173 ?        ?        ?         ?        
1 1 1 8  20 11 o 155.2150 5.116946 241.1046   15.88454 241.1046   15.88454 ?          ?        155.2150 5.116946 ?        ?        ?         ?        
1 1 1 8  20 12 o 146.9386 5.405163 216.1432   15.88454 216.1432   15.88454 ?          ?        146.9386 5.405163 ?        ?        ?         ?        
1 1 1 8  20 13 o 214.2074 7.680335 460.0844   32.90369 460.0844   32.90369 ?          ?        214.2074 7.680335 ?        ?        ?         ?        
1 1 1 8  20 14 o 295.3472 8.835713 877.0535   52.19205 877.0535   52.19205 ?          ?        295.3472 8.835713 ?        ?        ?         ?        
1 1 1 8  20 15 o 332.7460 9.377055 1117.023   62.40355 1117.023   62.40355 ?          ?        332.7460 9.377055 ?        ?        ?         ?        
1 1 1 8  20 16 o 190.4922 8.785396 367.0463   33.47099 367.0463   33.47099 ?          ?        190.4922 8.785396 ?        ?        ?         ?        
1 1 1 8  20 17 o 103.6195 12.59224 111.1918   26.09603 111.1918   26.09603 ?          ?        103.6195 12.59224 ?        ?        ?         ?        
1 1 1 8  20 18 o 166.5786 9.365480 284.2198   31.20177 284.2198   31.20177 ?          ?        166.5786 9.365480 ?        ?        ?         ?        
1 1 1 8  21 0  o 17.28026 11.77457 -5.673049  11.91340 -5.673049  11.91340 -5.673049  11.91340 17.28026 11.77457 17.28026 11.77457 -0.000000 0.000000 
1 1 1 8  21 1  o 298.9855 4.933325 894.6400   29.49986 894.6400   29.49986 ?          ?        298.9855 4.933325 ?        ?        ?         ?        
1 1 1 8  21 2  o 665.8785 9.882791 4448.238   131.6148 4448.238   131.6148 ?          ?        665.8785 9.882791 ?        ?        ?         ?        
1 1 1 8  21 3  o 406.3605 6.701104 1653.694   54.46128 1653.694   54.46128 ?          ?        406.3605 6.701104 ?        ?        ?         ?        
1 1 1 8  21 4  o 421.1497 6.533137 1776.232   55.02858 1776.232   55.02858 ?          ?        421.1497 6.533137 ?        ?        ?         ?        
1 1 1 8  21 5  o 367.3485 5.713998 1351.320   41.98057 1351.320   41.98057 ?          ?        367.3485 5.713998 ?        ?        ?         ?        
1 1 1 8  21 6  o 180.2425 4.563808 325.0657   16.45185 325.0657   16.45185 ?          ?        180.2425 4.563808 ?        ?        ?         ?        
1 1 1 8  21 7  o 390.0113 8.509329 1523.214   66.37468 1523.214   66.37468 ?          ?        390.0113 8.509329 ?        ?        ?         ?        
1 1 1 8  21 8  o 389.0998 8.164763 1515.839   63.53815 1515.839   63.53815 ?          ?        389.0998 8.164763 ?        ?        ?         ?        
1 1 1 8  21 9  o 817.7995 18.90324 6735.044   309.1812 6735.044   309.1812 ?          ?        817.7995 18.90324 ?        ?        ?         ?        
1 1 1 8  21 10 o 300.2377 7.085698 902.5823   42.54787 902.5823   42.54787 ?          ?        300.2377 7.085698 ?        ?        ?         ?        
1 1 1 8  21 11 o 72.58175 7.034474 52.75936   10.21149 52.75936   10.21149 ?          ?        72.58175 7.034474 ?        ?        ?         ?        
1 1 1 8  21 12 o 194.5246 6.416008 378.9597   24.96142 378.9597   24.96142 ?          ?        194.5246 6.416008 ?        ?        ?         ?        
1 1 1 8  21 13 f 182.7004 7.918031 334.7099   28.93255 334.7099   28.93255 ?          ?        182.7004 7.918031 ?        ?        ?         ?        
1 1 1 8  21 14 o 52.45996 16.50656 27.79794   19.28837 27.79794   19.28837 ?          ?        52.45996 16.50656 ?        ?        ?         ?        
1 1 1 8  21 15 o 218.5585 7.787000 481.0746   34.03830 481.0746   34.03830 ?          ?        218.5585 7.787000 ?        ?        ?         ?        
1 1 1 8  21 16 o 360.0502 10.32036 1317.849   74.31695 1317.849   74.31695 ?          ?        360.0502 10.32036 ?        ?        ?         ?        
1 1 1 8  21 17 o 163.5722 9.364206 272.8737   30.63447 272.8737   30.63447 ?          ?        163.5722 9.364206 ?        ?        ?         ?        
1 1 1 8  21 18 o 140.6701 10.08219 203.6625   28.36525 203.6625   28.36525 ?          ?        140.6701 10.08219 ?        ?        ?         ?        
1 1 1 8  22 0  o 205.7224 5.524063 424.3441   22.69220 424.3441   22.69220 424.3441   22.69220 205.7224 5.524063 205.7224 5.524063 -0.000000 0.000000 
1 1 1 8  22 1  o 346.8661 5.560754 1204.388   38.57674 1204.388   38.57674 ?          ?        346.8661 5.560754 ?        ?        ?         ?        
1 1 1 8  22 2  o 286.2123 4.657963 819.7557   26.66333 819.7557   26.66333 ?          ?        286.2123 4.657963 ?        ?        ?         ?        
1 1 1 8  22 3  o 366.4090 5.651234 1343.945   41.41326 1343.945   41.41326 ?          ?        366.4090 5.651234 ?        ?        ?         ?        
1 1 1 8  22 4  o 328.4002 5.268816 1079.581   34.60560 1079.581   34.60560 ?          ?        328.4002 5.268816 ?        ?        ?         ?        
1 1 1 8  22 5  o 243.6205 4.657283 593.9683   22.69220 593.9683   22.69220 ?          ?        243.6205 4.657283 ?        ?        ?         ?        
1 1 1 8  22 6  o 288.6577 7.271688 834.5057   41.98057 834.5057   41.98057 ?          ?        288.6577 7.271688 ?        ?        ?         ?        
1 1 1 8  22 7  o 545.3553 10.97462 2980.620   119.7014 2980.620   119.7014 ?          ?        545.3553 10.97462 ?        ?        ?         ?        
1 1 1 8  22 8  o 164.7943 5.508006 271.7391   18.15376 271.7391   18.15376 ?          ?        164.7943 5.508006 ?        ?        ?         ?        
1 1 1 8  22 9  o 664.4135 13.36265 4430.652   177.5665 4430.652   177.5665 ?          ?        664.4135 13.36265 ?        ?        ?         ?        
1 1 1 8  22 10 o 183.4974 5.410343 336.9791   19.85567 336.9791   19.85567 ?          ?        183.4974 5.410343 ?        ?        ?         ?        
1 1 1 8  22 11 o 155.7547 5.281331 242.8065   16.45185 242.8065   16.45185 ?          ?        155.7547 5.281331 ?        ?        ?         ?        
1 1 1 8  22 12 o 449.1277 10.23132 2024.711   91.90340 2024.711   91.90340 ?          ?        449.1277 10.23132 ?        ?        ?         ?        
1 1 1 8  22 13 o 365.8725 11.08646 1346.215   81.12460 1346.215   81.12460 ?          ?        365.8725 11.08646 ?        ?        ?         ?        
1 1 1 8  22 14 o 181.6255 7.964892 331.3061   28.93255 331.3061   28.93255 ?          ?        181.6255 7.964892 ?        ?        ?         ?        
1 1 1 8  22 15 o 124.7142 9.097681 157.1435   22.69220 157.1435   22.69220 ?          ?        124.7142 9.097681 ?        ?        ?         ?        
1 1 1 8  22 16 o 261.1559 8.689137 690.4101   45.38440 690.4101   45.38440 ?          ?        261.1559 8.689137 ?        ?        ?         ?        
1 1 1 8  22 17 o 47.02778 17.54250 19.28837   22.12490 19.28837   22.12490 ?          ?        47.02778 17.54250 ?        ?        ?         ?        
1 1 1 8  22 18 o 158.5357 8.588174 256.9891   27.23064 256.9891   27.23064 ?          ?        158.5357 8.588174 ?        ?        ?         ?        
1 1 1 8  23 0  o 215.0540 6.475954 464.0555   27.79794 464.0555   27.79794 464.0555   27.79794 215.0540 6.475954 215.0540 6.475954 -0.000000 0.000000 
1 1 1 8  23 1  o 723.0226 10.67096 5247.003   154.3070 5247.003   154.3070 ?          ?        723.0226 10.67096 ?        ?        ?         ?        
1 1 1 8  23 2  o 148.8927 4.191175 221.8162   12.48071 221.8162   12.48071 ?          ?        148.8927 4.191175 ?        ?        ?         ?        
1 1 1 8  23 3  o 268.2130 4.653283 719.9100   24.96142 719.9100   24.96142 ?          ?        268.2130 4.653283 ?        ?        ?         ?        
1 1 1 8  23 4  o 140.6605 4.033149 197.9895   11.34610 197.9895   11.34610 ?          ?        140.6605 4.033149 ?        ?        ?         ?        
1 1 1 8  23 5  o 320.6643 5.307467 1029.091   34.03830 1029.091   34.03830 ?          ?        320.6643 5.307467 ?        ?        ?         ?        
1 1 1 8  23 6  o 130.4237 4.567193 170.1915   11.91340 170.1915   11.91340 ?          ?        130.4237 4.567193 ?        ?        ?         ?        
1 1 1 8  23 7  o 475.0694 13.61333 2264.114   129.3455 2264.114   129.3455 ?          ?        475.0694 13.61333 ?        ?        ?         ?        
1 1 1 8  23 8  o 581.8643 11.74849 3395.887   136.7205 3395.887   136.7205 ?          ?        581.8643 11.74849 ?        ?        ?         ?        
1 1 1 8  23 9  o 298.8871 8.066745 894.6400   48.22092 894.6400   48.22092 ?          ?        298.8871 8.066745 ?        ?        ?         ?        
1 1 1 8  23 10 o 274.9156 6.706571 756.7847   36.87482 756.7847   36.87482 ?          ?        274.9156 6.706571 ?        ?        ?         ?        
1 1 1 8  23 11 o 376.0432 8.749977 1417.695   65.80738 1417.695   65.80738 ?          ?        376.0432 8.749977 ?        ?        ?         ?        
1 1 1 8  23 12 o 102.9287 6.062796 106.0860   12.48071 106.0860   12.48071 ?          ?        102.9287 6.062796 ?        ?        ?         ?        
1 1 1 8  23 13 o 468.6116 15.13260 2222.134   141.8262 2222.134   141.8262 ?          ?        468.6116 15.13260 ?        ?        ?         ?        
1 1 1 8  23 14 o 99.94452 12.48764 100.9803   24.96142 100.9803   24.96142 ?          ?        99.94452 12.48764 ?        ?        ?         ?        
1 1 1 8  23 15 o 190.3800 8.045609 365.3444   30.63447 365.3444   30.63447 ?          ?        190.3800 8.045609 ?        ?        ?         ?        
1 1 1 8  23 16 o 154.1822 8.462722 240.5373   26.09603 240.5373   26.09603 ?          ?        154.1822 8.462722 ?        ?        ?         ?        
1 1 1 8  23 17 o 118.9715 9.536825 144.6628   22.69220 144.6628   22.69220 ?          ?        118.9715 9.536825 ?        ?        ?         ?        
1 1 1 8  23 18 o 117.5191 9.896052 142.3935   23.25950 142.3935   23.25950 ?          ?        117.5191 9.896052 ?        ?        ?         ?        
1 1 1 8  24 0  o 316.2067 7.454700 1002.428   47.08631 1002.428   47.08631 1002.428   47.08631 316.2067 7.454700 316.2067 7.454700 -0.000000 0.000000 
1 1 1 8  24 1  o 183.3597 4.331523 336.4118   15.88454 336.4118   15.88454 ?          ?        183.3597 4.331523 ?        ?        ?         ?        
1 1 1 8  24 2  o 171.2103 4.141872 293.2967   14.18262 293.2967   14.18262 ?          ?        171.2103 4.141872 ?        ?        ?         ?        
1 1 1 8  24 3  o 912.8890 13.42309 8390.440   245.0758 8390.440   245.0758 ?          ?        912.8890 13.42309 ?        ?        ?         ?        
1 1 1 8  24 4  o 235.3185 4.821593 554.2570   22.69220 554.2570   22.69220 ?          ?        235.3185 4.821593 ?        ?        ?         ?        
1 1 1 8  24 5  o 124.6358 4.779284 155.4416   11.91340 155.4416   11.91340 ?          ?        124.6358 4.779284 ?        ?        ?         ?        
1 1 1 8  24 6  o 139.8601 5.273102 195.7202   14.74993 195.7202   14.74993 ?          ?        139.8601 5.273102 ?        ?        ?         ?        
1 1 1 8  24 7  o 803.9061 20.35903 6508.123   327.3350 6508.123   327.3350 ?          ?        803.9061 20.35903 ?        ?        ?         ?        
1 1 1 8  24 8  o 304.7841 6.607735 929.8129   40.27865 929.8129   40.27865 ?          ?        304.7841 6.607735 ?        ?        ?         ?        
1 1 1 8  24 9  f 441.8771 10.52759 1957.770   93.03801 1957.770   93.03801 ?          ?        441.8771 10.52759 ?        ?        ?         ?        
1 1 1 8  24 10 o 109.8715 5.679686 120.8360   12.48071 120.8360   12.48071 ?          ?        109.8715 5.679686 ?        ?        ?         ?        
1 1 1 8  24 11 o 789.8984 18.56547 6316.940   293.2967 6316.940   293.2967 ?          ?        789.8984 18.56547 ?        ?        ?         ?        
1 1 1 8  24 12 f 218.9091 6.219623 479.9400   27.23064 479.9400   27.23064 ?          ?        218.9091 6.219623 ?        ?        ?         ?        
1 1 1 8  24 13 o 314.6858 8.202587 993.9183   51.62476 993.9183   51.62476 ?          ?        314.6858 8.202587 ?        ?        ?         ?        
1 1 1 8  24 14 o 209.2554 8.268747 440.2286   34.60560 440.2286   34.60560 ?          ?        209.2554 8.268747 ?        ?        ?         ?        
1 1 1 8  24 15 o 203.3573 7.532179 416.4019   30.63447 416.4019   30.63447 ?          ?        203.3573 7.532179 ?        ?        ?         ?        
1 1 1 8  24 16 o 98.76791 10.33887 99.27837   20.42298 99.27837   20.42298 ?          ?        98.76791 10.33887 ?        ?        ?         ?        
1 1 1 8  24 17 o 142.4421 8.164549 206.4990   23.25950 206.4990   23.25950 ?          ?        142.4421 8.164549 ?        ?        ?         ?        
1 1 1 8  24 18 o 139.9819 9.321216 201.3933   26.09603 201.3933   26.09603 ?          ?        139.9819 9.321216 ?        ?        ?         ?        
1 1 1 8  25 0  o 396.5537 9.023091 1577.108   71.48043 1577.108   71.48043 1577.108   71.48043 396.5537 9.023091 396.5537 9.023091 -0.000000 0.000000 
1 1 1 8  25 1  o 660.3318 9.793980 4374.488   129.3455 4374.488   129.3455 ?          ?        660.3318 9.793980 ?        ?        ?         ?        
1 1 1 8  25 2  o 83.48282 5.776150 69.77851   9.644185 69.77851   9.644185 ?          ?        83.48282 5.776150 ?        ?        ?         ?        
1 1 1 8  25 3  o 149.4336 4.745461 223.5181   14.18262 223.5181   14.18262 ?          ?        149.4336 4.745461 ?        ?        ?         ?        
1 1 1 8  25 4  o 437.7342 7.257619 1919.193   63.53815 1919.193   63.53815 ?          ?        437.7342 7.257619 ?        ?        ?         ?        
1 1 1 8  25 5  o 594.2801 15.08282 3554.733   179.2684 3554.733   179.2684 ?          ?        594.2801 15.08282 ?        ?        ?         ?        
1 1 1 8  25 6  o 428.1485 8.877628 1835.799   76.01886 1835.799   76.01886 ?          ?        428.1485 8.877628 ?        ?        ?         ?        
1 1 1 8  25 7  o 306.5732 6.476650 940.5916   39.71135 940.5916   39.71135 ?          ?        306.5732 6.476650 ?        ?        ?         ?        
1 1 1 8  25 8  o 374.4399 8.484426 1404.080   63.53815 1404.080   63.53815 ?          ?        374.4399 8.484426 ?        ?        ?         ?        
1 1 1 8  25 9  o 521.1261 12.24690 2725.900   127.6436 2725.900   127.6436 ?          ?        521.1261 12.24690 ?        ?        ?         ?        
1 1 1 8  25 10 o 516.1051 11.54165 2674.276   119.1340 2674.276   119.1340 ?          ?        516.1051 11.54165 ?        ?        ?         ?        
1 1 1 8  25 11 o 322.2001 7.659143 1040.437   49.35553 1040.437   49.35553 ?          ?        322.2001 7.659143 ?        ?        ?         ?        
1 1 1 8  25 12 o 260.0100 6.654666 677.3621   34.60560 677.3621   34.60560 ?          ?        260.0100 6.654666 ?        ?        ?         ?        
1 1 1 8  25 13 o 539.2183 12.88807 2934.669   138.9897 2934.669   138.9897 ?          ?        539.2183 12.88807 ?        ?        ?         ?        
1 1 1 8  25 14 o 183.8330 7.869249 339.8157   28.93255 339.8157   28.93255 ?          ?        183.8330 7.869249 ?        ?        ?         ?        
1 1 1 8  25 15 o 277.3257 8.796196 776.6405   48.78823 776.6405   48.78823 ?          ?        277.3257 8.796196 ?        ?        ?         ?        
1 1 1 8  25 16 o 52.71880 18.56618 26.66333   24.39412 26.66333   24.39412 ?          ?        52.71880 18.56618 ?        ?        ?         ?        
1 1 1 8  25 17 o 141.2403 9.037338 203.6625   25.52872 203.6625   25.52872 ?          ?        141.2403 9.037338 ?        ?        ?         ?        
1 1 1 8  25 18 o 32.23417 14.83290 -13.61532  22.12490 -13.61532  22.12490 ?          ?        32.23417 14.83290 ?        ?        ?         ?        
1 1 1 8  26 0  o 251.7022 6.659247 635.3815   33.47099 635.3815   33.47099 635.3815   33.47099 251.7022 6.659247 251.7022 6.659247 -0.000000 0.000000 
1 1 1 8  26 1  o 363.8848 5.768387 1325.792   41.98057 1325.792   41.98057 ?          ?        363.8848 5.768387 ?        ?        ?         ?        
1 1 1 8  26 2  o 87.13918 5.208265 76.01886   9.076880 76.01886   9.076880 ?          ?        87.13918 5.208265 ?        ?        ?         ?        
1 1 1 8  26 3  o 251.2666 5.192895 631.9777   26.09603 631.9777   26.09603 ?          ?        251.2666 5.192895 ?        ?        ?         ?        
1 1 1 8  26 4  o 232.4231 5.369823 540.6417   24.96142 540.6417   24.96142 ?          ?        232.4231 5.369823 ?        ?        ?         ?        
1 1 1 8  26 5  o 1168.625 26.99083 13892.16   630.8431 13892.16   630.8431 ?          ?        1168.625 26.99083 ?        ?        ?         ?        
1 1 1 8  26 6  o 232.9433 5.479599 542.9108   25.52872 542.9108   25.52872 ?          ?        232.9433 5.479599 ?        ?        ?         ?        
1 1 1 8  26 7  o 332.5121 7.165697 1106.812   47.65361 1106.812   47.65361 ?          ?        332.5121 7.165697 ?        ?        ?         ?        
1 1 1 8  26 8  o 159.9151 4.966554 255.8545   15.88454 255.8545   15.88454 ?          ?        159.9151 4.966554 ?        ?        ?         ?        
1 1 1 8  26 9  f 630.9847 16.00360 4007.443   201.9606 4007.443   201.9606 ?          ?        630.9847 16.00360 ?        ?        ?         ?        
1 1 1 8  26 10 o 392.5672 8.959717 1544.771   70.34581 1544.771   70.34581 ?          ?        392.5672 8.959717 ?        ?        ?         ?        
1 1 1 8  26 11 o 144.9889 5.673485 210.4701   16.45185 210.4701   16.45185 ?          ?        144.9889 5.673485 ?        ?        ?         ?        
1 1 1 8  26 12 o 155.0901 7.132918 241.1046   22.12490 241.1046   22.12490 ?          ?        155.0901 7.132918 ?        ?        ?         ?        
1 1 1 8  26 13 o 358.9954 8.454374 1294.590   60.70163 1294.590   60.70163 ?          ?        358.9954 8.454374 ?        ?        ?         ?        
1 1 1 8  26 14 o 311.6284 8.192039 976.8991   51.05745 976.8991   51.05745 ?          ?        311.6284 8.192039 ?        ?        ?         ?        
1 1 1 8  26 15 f 116.7682 10.44553 138.4224   24.39412 138.4224   24.39412 ?          ?        116.7682 10.44553 ?        ?        ?         ?        
1 1 1 8  26 16 o 213.5773 7.968613 461.2190   34.03830 461.2190   34.03830 ?          ?        213.5773 7.968613 ?        ?        ?         ?        
1 1 1 8  26 17 o 187.8128 8.155585 358.5367   30.63447 358.5367   30.63447 ?          ?        187.8128 8.155585 ?        ?        ?         ?        
1 1 1 8  26 18 o 152.7568 8.913068 239.4027   27.23064 239.4027   27.23064 ?          ?        152.7568 8.913068 ?        ?        ?         ?        
1 1 1 8  27 0  o 93.73497 8.609281 90.20149   15.88454 90.20149   15.88454 90.20149   15.88454 93.73497 8.609281 93.73497 8.609281 -0.000000 0.000000 
1 1 1 8  27 1  o 562.7399 8.417737 3176.341   94.73994 3176.341   94.73994 ?          ?        562.7399 8.417737 ?        ?        ?         ?        
1 1 1 8  27 2  o 239.9040 6.148263 576.3818   29.49986 576.3818   29.49986 ?          ?        239.9040 6.148263 ?        ?        ?         ?        
1 1 1 8  27 3  o 378.9554 5.988091 1437.551   45.38440 1437.551   45.38440 ?          ?        378.9554 5.988091 ?        ?        ?         ?        
1 1 1 8  27 4  o 271.1106 6.068314 735.7945   32.90369 735.7945   32.90369 ?          ?        271.1106 6.068314 ?        ?        ?         ?        
1 1 1 8  27 5  o 622.3126 13.49179 3886.606   167.9223 3886.606   167.9223 ?          ?        622.3126 13.49179 ?        ?        ?         ?        
1 1 1 8  27 6  o 535.0029 12.61849 2869.996   135.0186 2869.996   135.0186 ?          ?        535.0029 12.61849 ?        ?        ?         ?        
1 1 1 8  27 7  f 348.1997 7.738945 1214.033   53.89397 1214.033   53.89397 ?          ?        348.1997 7.738945 ?        ?        ?         ?        
1 1 1 8  27 8  o 281.9265 7.948367 795.9289   44.81709 795.9289   44.81709 ?          ?        281.9265 7.948367 ?        ?        ?         ?        
1 1 1 8  27 9  o 519.7192 12.28006 2712.285   127.6436 2712.285   127.6436 ?          ?        519.7192 12.28006 ?        ?        ?         ?        
1 1 1 8  27 10 o 264.3882 6.973613 700.0543   36.87482 700.0543   36.87482 ?          ?        264.3882 6.973613 ?        ?        ?         ?        
1 1 1 8  27 11 o 92.14914 7.695473 85.09574   14.18262 85.09574   14.18262 ?          ?        92.14914 7.695473 ?        ?        ?         ?        
1 1 1 8  27 12 f 343.8762 8.413653 1186.235   57.86510 1186.235   57.86510 ?          ?        343.8762 8.413653 ?        ?        ?         ?        
1 1 1 8  27 13 o 375.5480 9.592346 1419.397   72.04772 1419.397   72.04772 ?          ?        375.5480 9.592346 ?        ?        ?         ?        
1 1 1 8  27 14 o 274.7888 7.019342 758.4867   38.57674 758.4867   38.57674 ?          ?        274.7888 7.019342 ?        ?        ?         ?        
1 1 1 8  27 15 o 96.11459 11.50965 94.17262   22.12490 94.17262   22.12490 ?          ?        96.11459 11.50965 ?        ?        ?         ?        
1 1 1 8  27 16 o 257.3199 8.708441 671.6891   44.81709 671.6891   44.81709 ?          ?        257.3199 8.708441 ?        ?        ?         ?        
1 1 1 8  27 17 o 195.5316 7.833638 388.6039   30.63447 388.6039   30.63447 ?          ?        195.5316 7.833638 ?        ?        ?         ?        
1 1 1 8  27 18 o 164.4462 8.279495 276.8448   27.23064 276.8448   27.23064 ?          ?        164.4462 8.279495 ?        ?        ?         ?        
1 1 1 8  28 0  o 301.3162 10.19245 912.7936   61.26894 912.7936   61.26894 912.7936   61.26894 301.3162 10.19245 301.3162 10.19245 -0.000000 0.000000 
1 1 1 8  28 1  o 425.2204 6.537303 1810.838   55.59589 1810.838   55.59589 ?          ?        425.2204 6.537303 ?        ?        ?         ?        
1 1 1 8  28 2  o 218.3682 4.286583 477.1035   18.72106 477.1035   18.72106 ?          ?        218.3682 4.286583 ?        ?        ?         ?        
1 1 1 8  28 3  o 451.7430 9.230230 2045.702   83.39383 2045.702   83.39383 ?          ?        451.7430 9.230230 ?        ?        ?         ?        
1 1 1 8  28 4  o 105.1414 5.395638 110.6245   11.34610 110.6245   11.34610 ?          ?        105.1414 5.395638 ?        ?        ?         ?        
1 1 1 8  28 5  f 636.6553 13.67794 4067.010   174.1626 4067.010   174.1626 ?          ?        636.6553 13.67794 ?        ?        ?         ?        
1 1 1 8  28 6  o 799.9154 20.35422 6446.854   325.6331 6446.854   325.6331 ?          ?        799.9154 20.35422 ?        ?        ?         ?        
1 1 1 8  28 7  o 364.6699 8.867302 1332.032   64.67276 1332.032   64.67276 ?          ?        364.6699 8.867302 ?        ?        ?         ?        
1 1 1 8  28 8  o 65.59086 9.514062 43.11518   12.48071 43.11518   12.48071 ?          ?        65.59086 9.514062 ?        ?        ?         ?        
1 1 1 8  28 9  o 324.3857 7.520094 1054.053   48.78823 1054.053   48.78823 ?          ?        324.3857 7.520094 ?        ?        ?         ?        
1 1 1 8  28 10 o 569.6133 13.54489 3264.273   154.3070 3264.273   154.3070 ?          ?        569.6133 13.54489 ?        ?        ?         ?        
1 1 1 8  28 11 o 339.5735 8.603796 1156.167   58.43241 1156.167   58.43241 ?          ?        339.5735 8.603796 ?        ?        ?         ?        
1 1 1 8  28 12 o 336.5957 8.090014 1136.312   54.46128 1136.312   54.46128 ?          ?        336.5957 8.090014 ?        ?        ?         ?        
1 1 1 8  28 13 o 91.14497 7.469047 83.39383   13.61532 83.39383   13.61532 ?          ?        91.14497 7.469047 ?        ?        ?         ?        
1 1 1 8  28 14 o 21.33302 9.916113 -9.076880  10.21149 -9.076880  10.21149 ?          ?        21.33302 9.916113 ?        ?        ?         ?        
1 1 1 8  28 15 o 183.3904 8.352257 339.8157   30.63447 339.8157   30.63447 ?          ?        183.3904 8.352257 ?        ?        ?         ?        
1 1 1 8  28 16 o 185.0671 8.889666 348.3253   32.90369 348.3253   32.90369 ?          ?        185.0671 8.889666 ?        ?        ?         ?        
1 1 1 8  28 17 o 307.1302 9.327932 966.1203   57.29780 966.1203   57.29780 ?          ?        307.1302 9.327932 ?        ?        ?         ?        
1 1 1 8  28 18 o 26.28608 12.74793 -32.33638  20.99029 -32.33638  20.99029 ?          ?        26.28608 12.74793 ?        ?        ?         ?        
1 1 1 8  29 0  o 375.6158 9.528693 1415.426   71.48043 1415.426   71.48043 1415.426   71.48043 375.6158 9.528693 375.6158 9.528693 -0.000000 0.000000 
1 1 1 8  29 1  o 343.4227 5.946892 1180.562   40.84595 1180.562   40.84595 ?          ?        343.4227 5.946892 ?        ?        ?         ?        
1 1 1 8  29 2  o 172.1684 5.766353 296.7005   19.85567 296.7005   19.85567 ?          ?        172.1684 5.766353 ?        ?        ?         ?        
1 1 1 8  29 3  o 786.1700 16.74126 6227.875   263.2295 6227.875   263.2295 ?          ?        786.1700 16.74126 ?        ?        ?         ?        
1 1 1 8  29 4  o 304.3318 6.617555 926.9763   40.27865 926.9763   40.27865 ?          ?        304.3318 6.617555 ?        ?        ?         ?        
1 1 1 8  29 5  o 866.3763 19.97146 7557.069   346.0561 7557.069   346.0561 ?          ?        866.3763 19.97146 ?        ?        ?         ?        
1 1 1 8  29 6  o 420.9921 9.500178 1775.664   79.99000 1775.664   79.99000 ?          ?        420.9921 9.500178 ?        ?        ?         ?        
1 1 1 8  29 7  o 469.9020 11.28810 2213.624   106.0860 2213.624   106.0860 ?          ?        469.9020 11.28810 ?        ?        ?         ?        
1 1 1 8  29 8  o 374.0924 10.76703 1403.512   80.55730 1403.512   80.55730 ?          ?        374.0924 10.76703 ?        ?        ?         ?        
1 1 1 8  29 9  o 274.0838 6.726923 752.2464   36.87482 752.2464   36.87482 ?          ?        274.0838 6.726923 ?        ?        ?         ?        
1 1 1 8  29 10 o 229.8925 6.416012 529.2956   29.49986 529.2956   29.49986 ?          ?        229.8925 6.416012 ?        ?        ?         ?        
1 1 1 8  29 11 o 356.2537 10.74883 1274.734   76.58617 1274.734   76.58617 ?          ?        356.2537 10.74883 ?        ?        ?         ?        
1 1 1 8  29 12 o 623.1090 13.88425 3921.779   173.0280 3921.779   173.0280 ?          ?        623.1090 13.88425 ?        ?        ?         ?        
1 1 1 8  29 13 o 538.3291 15.17509 2943.746   163.3838 2943.746   163.3838 ?          ?        538.3291 15.17509 ?        ?        ?         ?        
1 1 1 8  29 14 o 178.3308 5.885209 319.3927   20.99029 319.3927   20.99029 ?          ?        178.3308 5.885209 ?        ?        ?         ?        
1 1 1 8  29 15 o 131.3190 6.480079 173.5953   17.01915 173.5953   17.01915 ?          ?        131.3190 6.480079 ?        ?        ?         ?        
1 1 1 8  29 16 o 174.2615 8.464252 308.6139   29.49986 308.6139   29.49986 ?          ?        174.2615 8.464252 ?        ?        ?         ?        
1 1 1 8  29 17 o 182.8089 8.533984 340.9503   31.20177 340.9503   31.20177 ?          ?        182.8089 8.533984 ?        ?        ?         ?        
1 1 1 8  29 18 o 81.85561 14.74569 73.74965   23.25950 73.74965   23.25950 ?          ?        81.85561 14.74569 ?        ?        ?         ?        
1 1 1 8  30 0  o 546.6957 22.28697 3024.870   242.8065 3024.870   242.8065 3024.870   242.8065 546.6957 22.28697 546.6957 22.28697 -0.000000 0.000000 
1 1 1 8  30 1  o 419.1148 8.595225 1760.347   72.04772 1760.347   72.04772 ?          ?        419.1148 8.595225 ?        ?        ?         ?        
1 1 1 8  30 2  o 203.8458 5.148570 415.8346   20.99029 415.8346   20.99029 ?          ?        203.8458 5.148570 ?        ?        ?         ?        
1 1 1 8  30 3  o 834.0304 19.31759 7011.323   322.2292 7011.323   322.2292 ?          ?        834.0304 19.31759 ?        ?        ?         ?        
1 1 1 8  30 4  o 388.3217 10.15336 1510.733   78.85539 1510.733   78.85539 ?          ?        388.3217 10.15336 ?        ?        ?         ?        
1 1 1 8  30 5  o 1013.643 23.47814 10373.74   475.9689 10373.74   475.9689 ?          ?        1013.643 23.47814 ?        ?        ?         ?        
1 1 1 8  30 6  o 310.2986 6.855957 963.8511   42.54787 963.8511   42.54787 ?          ?        310.2986 6.855957 ?        ?        ?         ?        
1 1 1 8  30 7  o 614.1555 14.36378 3788.462   176.4319 3788.462   176.4319 ?          ?        614.1555 14.36378 ?        ?        ?         ?        
1 1 1 8  30 8  o 466.8357 13.24583 2189.230   123.6725 2189.230   123.6725 ?          ?        466.8357 13.24583 ?        ?        ?         ?        
1 1 1 8  30 9  o 233.2361 6.202418 544.6128   28.93255 544.6128   28.93255 ?          ?        233.2361 6.202418 ?        ?        ?         ?        
1 1 1 8  30 10 o 188.4770 5.869389 355.7002   22.12490 355.7002   22.12490 ?          ?        188.4770 5.869389 ?        ?        ?         ?        
1 1 1 8  30 11 o 392.8247 10.54243 1550.444   82.82652 1550.444   82.82652 ?          ?        392.8247 10.54243 ?        ?        ?         ?        
1 1 1 8  30 12 o 113.8273 6.977470 129.9128   15.88454 129.9128   15.88454 ?          ?        113.8273 6.977470 ?        ?        ?         ?        
1 1 1 8  30 13 o 279.2190 8.025438 783.4482   44.81709 783.4482   44.81709 ?          ?        279.2190 8.025438 ?        ?        ?         ?        
1 1 1 8  30 14 o 222.7306 6.494966 498.6611   28.93255 498.6611   28.93255 ?          ?        222.7306 6.494966 ?        ?        ?         ?        
1 1 1 8  30 15 o 144.9377 6.654022 211.6048   19.28837 211.6048   19.28837 ?          ?        144.9377 6.654022 ?        ?        ?         ?        
1 1 1 8  30 16 o 59.93001 18.50475 39.14404   24.39412 39.14404   24.39412 ?          ?        59.93001 18.50475 ?        ?        ?         ?        
1 1 1 8  30 17 o 263.2857 8.942056 709.6985   47.08631 709.6985   47.08631 ?          ?        263.2857 8.942056 ?        ?        ?         ?        
1 1 1 8  31 0  o 453.9290 13.33539 2070.663   120.8360 2070.663   120.8360 2070.663   120.8360 453.9290 13.33539 453.9290 13.33539 -0.000000 0.000000 
1 1 1 8  31 1  o 288.6326 6.387847 833.9382   36.87482 833.9382   36.87482 ?          ?        288.6326 6.387847 ?        ?        ?         ?        
1 1 1 8  31 2  o 353.3584 8.027332 1250.340   56.73050 1250.340   56.73050 ?          ?        353.3584 8.027332 ?        ?        ?         ?        
1 1 1 8  31 3  o 293.1524 6.386119 860.0343   37.44213 860.0343   37.44213 ?          ?        293.1524 6.386119 ?        ?        ?         ?        
1 1 1 8  31 4  o 323.9149 7.005606 1050.082   45.38440 1050.082   45.38440 ?          ?        323.9149 7.005606 ?        ?        ?         ?        
1 1 1 8  31 5  o 201.7590 5.623590 407.3250   22.69220 407.3250   22.69220 ?          ?        201.7590 5.623590 ?        ?        ?         ?        
1 1 1 8  31 6  o 164.4323 6.382654 270.6045   20.99029 270.6045   20.99029 ?          ?        164.4323 6.382654 ?        ?        ?         ?        
1 1 1 8  31 7  o 678.2121 21.37184 4649.631   289.8928 4649.631   289.8928 ?          ?        678.2121 21.37184 ?        ?        ?         ?        
1 1 1 8  31 8  o 292.7719 8.429007 858.8997   49.35553 858.8997   49.35553 ?          ?        292.7719 8.429007 ?        ?        ?         ?        
1 1 1 8  31 9  o 618.8269 15.67630 3858.241   194.0183 3858.241   194.0183 ?          ?        618.8269 15.67630 ?        ?        ?         ?        
1 1 1 8  31 10 o 211.5532 6.167724 448.1709   26.09603 448.1709   26.09603 ?          ?        211.5532 6.167724 ?        ?        ?         ?        
1 1 1 8  31 11 o 136.4756 6.650916 186.6433   18.15376 186.6433   18.15376 ?          ?        136.4756 6.650916 ?        ?        ?         ?        
1 1 1 8  31 12 o 222.5316 6.373307 496.3919   28.36525 496.3919   28.36525 ?          ?        222.5316 6.373307 ?        ?        ?         ?        
1 1 1 8  31 13 o 160.9172 6.169531 259.8257   19.85567 259.8257   19.85567 ?          ?        160.9172 6.169531 ?        ?        ?         ?        
1 1 1 8  31 14 o 68.23631 9.560903 47.08631   13.04801 47.08631   13.04801 ?          ?        68.23631 9.560903 ?        ?        ?         ?        
1 1 1 8  31 15 o 284.1737 7.286611 814.6500   41.41326 814.6500   41.41326 ?          ?        284.1737 7.286611 ?        ?        ?         ?        
1 1 1 8  31 16 o 110.6333 9.742817 125.3744   21.55759 125.3744   21.55759 ?          ?        110.6333 9.742817 ?        ?        ?         ?        
1 1 1 8  31 17 f 104.4493 11.94906 114.0283   24.96142 114.0283   24.96142 ?          ?        104.4493 11.94906 ?        ?        ?         ?        
1 1 1 8  32 0  o 362.3694 11.05977 1318.417   79.99000 1318.417   79.99000 1318.417   79.99000 362.3694 11.05977 362.3694 11.05977 -0.000000 0.000000 
1 1 1 8  32 1  o 134.9000 5.887525 182.1049   15.88454 182.1049   15.88454 ?          ?        134.9000 5.887525 ?        ?        ?         ?        
1 1 1 8  32 2  o 385.2313 7.952228 1485.772   61.26894 1485.772   61.26894 ?          ?        385.2313 7.952228 ?        ?        ?         ?        
1 1 1 8  32 3  o 204.1492 5.279862 416.9691   21.55759 416.9691   21.55759 ?          ?        204.1492 5.279862 ?        ?        ?         ?        
1 1 1 8  32 4  o 94.94105 6.274106 90.20149   11.91340 90.20149   11.91340 ?          ?        94.94105 6.274106 ?        ?        ?         ?        
1 1 1 8  32 5  o 1030.695 23.86027 10756.67   491.8534 10756.67   491.8534 ?          ?        1030.695 23.86027 ?        ?        ?         ?        
1 1 1 8  32 6  o 274.4756 6.200605 753.9482   34.03830 753.9482   34.03830 ?          ?        274.4756 6.200605 ?        ?        ?         ?        
1 1 1 8  32 7  o 813.9555 18.92282 6684.555   308.0466 6684.555   308.0466 ?          ?        813.9555 18.92282 ?        ?        ?         ?        
1 1 1 8  32 8  o 396.6375 9.654430 1577.675   76.58617 1577.675   76.58617 ?          ?        396.6375 9.654430 ?        ?        ?         ?        
1 1 1 8  32 9  o 520.1168 14.94295 2725.333   155.4416 2725.333   155.4416 ?          ?        520.1168 14.94295 ?        ?        ?         ?        
1 1 1 8  32 10 o 159.4623 6.937342 254.7199   22.12490 254.7199   22.12490 ?          ?        159.4623 6.937342 ?        ?        ?         ?        
1 1 1 8  32 11 o 534.5990 13.95450 2882.476   149.2012 2882.476   149.2012 ?          ?        534.5990 13.95450 ?        ?        ?         ?        
1 1 1 8  32 12 o 83.61395 9.498737 70.34581   15.88454 70.34581   15.88454 ?          ?        83.61395 9.498737 ?        ?        ?         ?        
1 1 1 8  32 13 o 104.0999 7.629471 108.9226   15.88454 108.9226   15.88454 ?          ?        104.0999 7.629471 ?        ?        ?         ?        
1 1 1 8  32 14 f 270.9645 8.165236 740.9003   44.24979 740.9003   44.24979 ?          ?        270.9645 8.165236 ?        ?        ?         ?        
1 1 1 8  32 15 o 101.4378 7.270428 103.8168   14.74993 103.8168   14.74993 ?          ?        101.4378 7.270428 ?        ?        ?         ?        
1 1 1 8  32 16 o 122.4913 8.104929 152.6050   19.85567 152.6050   19.85567 ?          ?        122.4913 8.104929 ?        ?        ?         ?        
1 1 1 8  32 17 o 150.0121 12.66879 236.5662   38.00943 236.5662   38.00943 ?          ?        150.0121 12.66879 ?        ?        ?         ?        
1 1 1 8  33 0  o 159.8661 7.847252 257.5565   24.96142 257.5565   24.96142 257.5565   24.96142 159.8661 7.847252 159.8661 7.847252 -0.000000 0.000000 
1 1 1 8  33 1  o 691.5944 13.82182 4799.400   191.1818 4799.400   191.1818 ?          ?        691.5944 13.82182 ?        ?        ?         ?        
1 1 1 8  33 2  o 304.4927 7.731928 928.1110   47.08631 928.1110   47.08631 ?          ?        304.4927 7.731928 ?        ?        ?         ?        
1 1 1 8  33 3  o 304.7205 6.609114 929.2455   40.27865 929.2455   40.27865 ?          ?        304.7205 6.609114 ?        ?        ?         ?        
1 1 1 8  33 4  o 348.3231 8.631974 1215.167   60.13433 1215.167   60.13433 ?          ?        348.3231 8.631974 ?        ?        ?         ?        
1 1 1 8  33 5  o 414.5830 9.989138 1722.338   82.82652 1722.338   82.82652 ?          ?        414.5830 9.989138 ?        ?        ?         ?        
1 1 1 8  33 6  o 109.3643 5.965393 119.7014   13.04801 119.7014   13.04801 ?          ?        109.3643 5.965393 ?        ?        ?         ?        
1 1 1 8  33 7  o 763.8762 21.16598 5902.808   323.3638 5902.808   323.3638 ?          ?        763.8762 21.16598 ?        ?        ?         ?        
1 1 1 8  33 8  o 343.1394 9.423688 1180.562   64.67276 1180.562   64.67276 ?          ?        343.1394 9.423688 ?        ?        ?         ?        
1 1 1 8  33 9  o 434.3308 10.57989 1894.231   91.90340 1894.231   91.90340 ?          ?        434.3308 10.57989 ?        ?        ?         ?        
1 1 1 8  33 10 o 663.7167 18.93248 4464.123   251.3161 4464.123   251.3161 ?          ?        663.7167 18.93248 ?        ?        ?         ?        
1 1 1 8  33 11 o 376.9486 8.879457 1426.205   66.94199 1426.205   66.94199 ?          ?        376.9486 8.879457 ?        ?        ?         ?        
1 1 1 8  33 12 o 98.86255 7.746732 98.14376   15.31723 98.14376   15.31723 ?          ?        98.86255 7.746732 ?        ?        ?         ?        
1 1 1 8  33 13 o 96.44938 7.940557 93.60532   15.31723 93.60532   15.31723 ?          ?        96.44938 7.940557 ?        ?        ?         ?        
1 1 1 8  33 14 o 142.0326 6.790120 203.0952   19.28837 203.0952   19.28837 ?          ?        142.0326 6.790120 ?        ?        ?         ?        
1 1 1 8  33 15 f 44.43259 13.84595 20.42298   13.61532 20.42298   13.61532 ?          ?        44.43259 13.84595 ?        ?        ?         ?        
1 1 1 8  33 16 o 82.89936 7.869792 69.77851   13.04801 69.77851   13.04801 ?          ?        82.89936 7.869792 ?        ?        ?         ?        
1 1 1 8  33 17 o 132.9903 13.86373 187.7779   36.87482 187.7779   36.87482 ?          ?        132.9903 13.86373 ?        ?        ?         ?        
1 1 1 8  34 0  o 592.3062 19.73061 3531.473   233.1623 3531.473   233.1623 3531.473   233.1623 592.3062 19.73061 592.3062 19.73061 -0.000000 0.000000 
1 1 1 8  34 1  o 639.3788 12.77676 4099.346   163.3838 4099.346   163.3838 ?          ?        639.3788 12.77676 ?        ?        ?         ?        
1 1 1 8  34 2  o 193.5968 5.421134 374.9886   20.99029 374.9886   20.99029 ?          ?        193.5968 5.421134 ?        ?        ?         ?        
1 1 1 8  34 3  o 512.4218 12.12281 2633.430   124.2398 2633.430   124.2398 ?          ?        512.4218 12.12281 ?        ?        ?         ?        
1 1 1 8  34 4  o 366.9755 8.888886 1349.051   65.24007 1349.051   65.24007 ?          ?        366.9755 8.888886 ?        ?        ?         ?        
1 1 1 8  34 5  o 570.7048 13.46928 3268.811   153.7396 3268.811   153.7396 ?          ?        570.7048 13.46928 ?        ?        ?         ?        
1 1 1 8  34 6  o 150.3916 5.658277 226.3547   17.01915 226.3547   17.01915 ?          ?        150.3916 5.658277 ?        ?        ?         ?        
1 1 1 8  34 7  o 1065.222 29.77064 11639.96   634.2470 11639.96   634.2470 ?          ?        1065.222 29.77064 ?        ?        ?         ?        
1 1 1 8  34 8  o 523.7307 13.59416 2758.237   142.3935 2758.237   142.3935 ?          ?        523.7307 13.59416 ?        ?        ?         ?        
1 1 1 8  34 9  o 267.9668 6.880485 719.3427   36.87482 719.3427   36.87482 ?          ?        267.9668 6.880485 ?        ?        ?         ?        
1 1 1 8  34 10 o 344.5621 8.396905 1190.773   57.86510 1190.773   57.86510 ?          ?        344.5621 8.396905 ?        ?        ?         ?        
1 1 1 8  34 11 o 420.9148 9.704091 1780.770   81.69191 1780.770   81.69191 ?          ?        420.9148 9.704091 ?        ?        ?         ?        
1 1 1 8  34 12 o 109.3919 8.556877 120.2687   18.72106 120.2687   18.72106 ?          ?        109.3919 8.556877 ?        ?        ?         ?        
1 1 1 8  34 13 o 119.6697 7.110886 144.0954   17.01915 144.0954   17.01915 ?          ?        119.6697 7.110886 ?        ?        ?         ?        
1 1 1 8  34 14 o 58.22154 11.61685 35.74022   13.04801 35.74022   13.04801 ?          ?        58.22154 11.61685 ?        ?        ?         ?        
1 1 1 8  34 15 o 314.6792 7.842197 1002.995   49.35553 1002.995   49.35553 ?          ?        314.6792 7.842197 ?        ?        ?         ?        
1 1 1 8  34 16 o 98.71106 6.896552 98.71106   13.61532 98.71106   13.61532 ?          ?        98.71106 6.896552 ?        ?        ?         ?        
1 1 1 8  34 17 o 79.58206 7.841409 64.67276   12.48071 64.67276   12.48071 ?          ?        79.58206 7.841409 ?        ?        ?         ?        
1 1 1 8  35 0  o 320.7125 10.01572 1032.495   64.10546 1032.495   64.10546 1032.495   64.10546 320.7125 10.01572 320.7125 10.01572 -0.000000 0.000000 
1 1 1 8  35 1  o 338.5172 7.373752 1147.091   49.92284 1147.091   49.92284 ?          ?        338.5172 7.373752 ?        ?        ?         ?        
1 1 1 8  35 2  o 334.8871 7.284279 1122.697   48.78823 1122.697   48.78823 ?          ?        334.8871 7.284279 ?        ?        ?         ?        
1 1 1 8  35 3  o 599.7095 12.06107 3608.060   144.6628 3608.060   144.6628 ?          ?        599.7095 12.06107 ?        ?        ?         ?        
1 1 1 8  35 4  o 269.1232 7.167115 725.0157   38.57674 725.0157   38.57674 ?          ?        269.1232 7.167115 ?        ?        ?         ?        
1 1 1 8  35 5  o 313.5612 8.593853 984.8415   53.89397 984.8415   53.89397 ?          ?        313.5612 8.593853 ?        ?        ?         ?        
1 1 1 8  35 6  o 281.3983 7.862484 793.0923   44.24979 793.0923   44.24979 ?          ?        281.3983 7.862484 ?        ?        ?         ?        
1 1 1 8  35 7  o 346.4012 11.05455 1204.388   76.58617 1204.388   76.58617 ?          ?        346.4012 11.05455 ?        ?        ?         ?        
1 1 1 8  35 8  o 148.8385 6.289053 221.8162   18.72106 221.8162   18.72106 ?          ?        148.8385 6.289053 ?        ?        ?         ?        
1 1 1 8  35 9  o 307.7662 7.465360 949.1012   45.95170 949.1012   45.95170 ?          ?        307.7662 7.465360 ?        ?        ?         ?        
1 1 1 8  35 10 o 226.6191 6.383522 514.5456   28.93255 514.5456   28.93255 ?          ?        226.6191 6.383522 ?        ?        ?         ?        
1 1 1 8  35 11 o 179.3046 6.327837 322.2292   22.69220 322.2292   22.69220 ?          ?        179.3046 6.327837 ?        ?        ?         ?        
1 1 1 8  35 12 o 169.1542 6.372171 287.0563   21.55759 287.0563   21.55759 ?          ?        169.1542 6.372171 ?        ?        ?         ?        
1 1 1 8  35 13 o 258.2982 6.918401 671.1218   35.74022 671.1218   35.74022 ?          ?        258.2982 6.918401 ?        ?        ?         ?        
1 1 1 8  35 14 o 118.4203 6.706847 141.2589   15.88454 141.2589   15.88454 ?          ?        118.4203 6.706847 ?        ?        ?         ?        
1 1 1 8  35 15 o 253.8185 6.928752 651.2661   35.17290 651.2661   35.17290 ?          ?        253.8185 6.928752 ?        ?        ?         ?        
1 1 1 8  35 16 o 95.25110 6.849273 91.90340   13.04801 91.90340   13.04801 ?          ?        95.25110 6.849273 ?        ?        ?         ?        
1 1 1 8  35 17 o 196.6304 6.924322 393.1424   27.23064 393.1424   27.23064 ?          ?        196.6304 6.924322 ?        ?        ?         ?        
1 1 1 8  36 0  o 371.7278 10.85595 1387.061   80.55730 1387.061   80.55730 1387.061   80.55730 371.7278 10.85595 371.7278 10.85595 -0.000000 0.000000 
1 1 1 8  36 1  o 1003.844 21.39027 10176.32   429.4498 10176.32   429.4498 ?          ?        1003.844 21.39027 ?        ?        ?         ?        
1 1 1 8  36 2  o 605.8901 12.12530 3682.944   146.9320 3682.944   146.9320 ?          ?        605.8901 12.12530 ?        ?        ?         ?        
1 1 1 8  36 3  o 562.6796 12.24988 3175.773   137.8551 3175.773   137.8551 ?          ?        562.6796 12.24988 ?        ?        ?         ?        
1 1 1 8  36 4  o 395.3118 9.686807 1565.762   76.58617 1565.762   76.58617 ?          ?        395.3118 9.686807 ?        ?        ?         ?        
1 1 1 8  36 5  o 382.9117 10.07458 1469.887   77.15348 1469.887   77.15348 ?          ?        382.9117 10.07458 ?        ?        ?         ?        
1 1 1 8  36 6  o 350.3502 9.391658 1230.484   65.80738 1230.484   65.80738 ?          ?        350.3502 9.391658 ?        ?        ?         ?        
1 1 1 8  36 7  f 155.3792 5.841759 241.6719   18.15376 241.6719   18.15376 ?          ?        155.3792 5.841759 ?        ?        ?         ?        
1 1 1 8  36 8  o 356.5143 8.911025 1274.734   63.53815 1274.734   63.53815 ?          ?        356.5143 8.911025 ?        ?        ?         ?        
1 1 1 8  36 9  o 310.9578 7.571175 968.9568   47.08631 968.9568   47.08631 ?          ?        310.9578 7.571175 ?        ?        ?         ?        
1 1 1 8  36 10 o 270.1252 7.035522 731.2560   38.00943 731.2560   38.00943 ?          ?        270.1252 7.035522 ?        ?        ?         ?        
1 1 1 8  36 11 o 305.6344 7.610237 937.7551   46.51900 937.7551   46.51900 ?          ?        305.6344 7.610237 ?        ?        ?         ?        
1 1 1 8  36 12 o 415.7927 10.36939 1745.598   86.23035 1745.598   86.23035 ?          ?        415.7927 10.36939 ?        ?        ?         ?        
1 1 1 8  36 13 o 85.48648 8.627053 73.74965   14.74993 73.74965   14.74993 ?          ?        85.48648 8.627053 ?        ?        ?         ?        
1 1 1 8  36 14 f 209.8963 6.486689 443.6324   27.23064 443.6324   27.23064 ?          ?        209.8963 6.486689 ?        ?        ?         ?        
1 1 1 8  36 15 f 29.46603 12.56135 0.5673050  13.04801 0.5673050  13.04801 ?          ?        29.46603 12.56135 ?        ?        ?         ?        
1 1 1 8  36 16 o 124.1093 6.627967 156.0089   16.45185 156.0089   16.45185 ?          ?        124.1093 6.627967 ?        ?        ?         ?        
1 1 1 8  37 0  o 150.2655 8.360064 228.0566   24.96142 228.0566   24.96142 228.0566   24.96142 150.2655 8.360064 150.2655 8.360064 -0.000000 0.000000 
1 1 1 8  37 1  f 823.8561 16.42304 6826.381   270.6045 6826.381   270.6045 ?          ?        823.8561 16.42304 ?        ?        ?         ?        
1 1 1 8  37 2  o 469.6239 9.724389 2209.653   91.33610 2209.653   91.33610 ?          ?        469.6239 9.724389 ?        ?        ?         ?        
1 1 1 8  37 3  o 152.6418 5.946525 233.1623   18.15376 233.1623   18.15376 ?          ?        152.6418 5.946525 ?        ?        ?         ?        
1 1 1 8  37 4  o 859.3771 21.65243 7467.435   372.1520 7467.435   372.1520 ?          ?        859.3771 21.65243 ?        ?        ?         ?        
1 1 1 8  37 5  o 341.7341 9.213428 1170.350   62.97085 1170.350   62.97085 ?          ?        341.7341 9.213428 ?        ?        ?         ?        
1 1 1 8  37 6  o 187.7475 5.892194 352.8637   22.12490 352.8637   22.12490 ?          ?        187.7475 5.892194 ?        ?        ?         ?        
1 1 1 8  37 7  o 243.0119 7.937212 591.6991   38.57674 591.6991   38.57674 ?          ?        243.0119 7.937212 ?        ?        ?         ?        
1 1 1 8  37 8  o 295.8476 7.382597 877.0535   43.68248 877.0535   43.68248 ?          ?        295.8476 7.382597 ?        ?        ?         ?        
1 1 1 8  37 9  o 273.3681 7.159585 748.8425   39.14404 748.8425   39.14404 ?          ?        273.3681 7.159585 ?        ?        ?         ?        
1 1 1 8  37 10 o 126.5445 7.172873 160.5473   18.15376 160.5473   18.15376 ?          ?        126.5445 7.172873 ?        ?        ?         ?        
1 1 1 8  37 11 o 276.8770 7.068849 769.2656   39.14404 769.2656   39.14404 ?          ?        276.8770 7.068849 ?        ?        ?         ?        
1 1 1 8  37 12 f 274.5523 7.232020 757.3521   39.71135 757.3521   39.71135 ?          ?        274.5523 7.232020 ?        ?        ?         ?        
1 1 1 8  37 13 o 126.3090 6.737108 160.5473   17.01915 160.5473   17.01915 ?          ?        126.3090 6.737108 ?        ?        ?         ?        
1 1 1 8  37 14 o 206.3733 6.459976 428.8826   26.66333 428.8826   26.66333 ?          ?        206.3733 6.459976 ?        ?        ?         ?        
1 1 1 8  37 15 o 95.70267 7.706122 93.03801   14.74993 93.03801   14.74993 ?          ?        95.70267 7.706122 ?        ?        ?         ?        
1 1 1 8  37 16 o 292.6180 8.142632 874.2170   47.65361 874.2170   47.65361 ?          ?        292.6180 8.142632 ?        ?        ?         ?        
1 1 1 8  38 0  o 432.6797 12.80839 1880.049   110.6245 1880.049   110.6245 1880.049   110.6245 432.6797 12.80839 432.6797 12.80839 -0.000000 0.000000 
1 1 1 8  38 1  o 579.1117 13.51865 3365.820   156.5762 3365.820   156.5762 ?          ?        579.1117 13.51865 ?        ?        ?         ?        
1 1 1 8  38 2  o 429.8314 8.842871 1850.549   76.01886 1850.549   76.01886 ?          ?        429.8314 8.842871 ?        ?        ?         ?        
1 1 1 8  38 3  o 602.1912 14.13102 3643.232   170.1915 3643.232   170.1915 ?          ?        602.1912 14.13102 ?        ?        ?         ?        
1 1 1 8  38 4  o 647.3803 18.05196 4225.287   233.7296 4225.287   233.7296 ?          ?        647.3803 18.05196 ?        ?        ?         ?        
1 1 1 8  38 5  o 132.0661 7.946888 174.7299   20.99029 174.7299   20.99029 ?          ?        132.0661 7.946888 ?        ?        ?         ?        
1 1 1 8  38 6  o 267.9169 6.775891 718.7754   36.30752 718.7754   36.30752 ?          ?        267.9169 6.775891 ?        ?        ?         ?        
1 1 1 8  38 7  o 128.0994 8.635833 164.5184   22.12490 164.5184   22.12490 ?          ?        128.0994 8.635833 ?        ?        ?         ?        
1 1 1 8  38 8  o 156.6235 6.157559 245.6430   19.28837 245.6430   19.28837 ?          ?        156.6235 6.157559 ?        ?        ?         ?        
1 1 1 8  38 9  o 90.83524 9.055871 82.82652   16.45185 82.82652   16.45185 ?          ?        90.83524 9.055871 ?        ?        ?         ?        
1 1 1 8  38 10 o 592.3702 14.31741 3548.492   169.6242 3548.492   169.6242 ?          ?        592.3702 14.31741 ?        ?        ?         ?        
1 1 1 8  38 11 o 308.5136 7.906982 955.9088   48.78823 955.9088   48.78823 ?          ?        308.5136 7.906982 ?        ?        ?         ?        
1 1 1 8  38 12 o 206.8880 6.306800 430.0172   26.09603 430.0172   26.09603 ?          ?        206.8880 6.306800 ?        ?        ?         ?        
1 1 1 8  38 13 o 283.2449 7.210359 808.4095   40.84595 808.4095   40.84595 ?          ?        283.2449 7.210359 ?        ?        ?         ?        
1 1 1 8  38 14 o 27.86282 12.55377 -6.807660  14.74993 -6.807660  14.74993 ?          ?        27.86282 12.55377 ?        ?        ?         ?        
1 1 1 8  38 15 o 134.2343 6.550656 182.1049   17.58645 182.1049   17.58645 ?          ?        134.2343 6.550656 ?        ?        ?         ?        
1 1 1 8  38 16 o 121.0278 6.796721 148.6339   16.45185 148.6339   16.45185 ?          ?        121.0278 6.796721 ?        ?        ?         ?        
1 1 1 8  39 0  o 284.0682 9.811281 810.6788   55.59589 810.6788   55.59589 810.6788   55.59589 284.0682 9.811281 284.0682 9.811281 -0.000000 0.000000 
1 1 1 8  39 1  o 651.1185 14.20183 4258.758   184.9414 4258.758   184.9414 ?          ?        651.1185 14.20183 ?        ?        ?         ?        
1 1 1 8  39 2  o 404.5724 9.184628 1640.079   74.31695 1640.079   74.31695 ?          ?        404.5724 9.184628 ?        ?        ?         ?        
1 1 1 8  39 3  o 177.8428 5.901359 316.5562   20.99029 316.5562   20.99029 ?          ?        177.8428 5.901359 ?        ?        ?         ?        
1 1 1 8  39 4  o 307.5270 8.116823 947.3992   49.92284 947.3992   49.92284 ?          ?        307.5270 8.116823 ?        ?        ?         ?        
1 1 1 8  39 5  o 347.2394 9.312418 1208.927   64.67276 1208.927   64.67276 ?          ?        347.2394 9.312418 ?        ?        ?         ?        
1 1 1 8  39 6  o 254.7329 7.906055 650.1314   40.27865 650.1314   40.27865 ?          ?        254.7329 7.906055 ?        ?        ?         ?        
1 1 1 8  39 7  o 154.9721 6.406211 240.5373   19.85567 240.5373   19.85567 ?          ?        154.9721 6.406211 ?        ?        ?         ?        
1 1 1 8  39 8  o 162.2937 6.466759 263.7968   20.99029 263.7968   20.99029 ?          ?        162.2937 6.466759 ?        ?        ?         ?        
1 1 1 8  39 9  o 420.1863 10.39598 1773.963   87.36497 1773.963   87.36497 ?          ?        420.1863 10.39598 ?        ?        ?         ?        
1 1 1 8  39 10 o 609.0439 14.76377 3758.963   179.8357 3758.963   179.8357 ?          ?        609.0439 14.76377 ?        ?        ?         ?        
1 1 1 8  39 11 o 448.7412 11.31472 2034.923   101.5476 2034.923   101.5476 ?          ?        448.7412 11.31472 ?        ?        ?         ?        
1 1 1 8  39 12 o 168.5188 6.227877 285.3544   20.99029 285.3544   20.99029 ?          ?        168.5188 6.227877 ?        ?        ?         ?        
1 1 1 8  39 13 o 113.2654 7.262523 129.3455   16.45185 129.3455   16.45185 ?          ?        113.2654 7.262523 ?        ?        ?         ?        
1 1 1 8  39 14 o 250.2382 6.914534 632.5450   34.60560 632.5450   34.60560 ?          ?        250.2382 6.914534 ?        ?        ?         ?        
1 1 1 8  39 15 f 67.29164 10.11665 46.51900   13.61532 46.51900   13.61532 ?          ?        67.29164 10.11665 ?        ?        ?         ?        
1 1 1 8  39 16 o 46.34408 13.72871 23.25950   13.61532 23.25950   13.61532 ?          ?        46.34408 13.72871 ?        ?        ?         ?        
1 1 1 8  40 0  o 176.5291 8.885393 314.2870   31.20177 314.2870   31.20177 314.2870   31.20177 176.5291 8.885393 176.5291 8.885393 -0.000000 0.000000 
1 1 1 8  40 1  o 64.03517 12.40266 42.54787   15.31723 42.54787   15.31723 ?          ?        64.03517 12.40266 ?        ?        ?         ?        
1 1 1 8  40 2  o 301.1736 7.252044 908.2553   43.68248 908.2553   43.68248 ?          ?        301.1736 7.252044 ?        ?        ?         ?        
1 1 1 8  40 3  o 639.4419 14.01757 4110.125   179.2684 4110.125   179.2684 ?          ?        639.4419 14.01757 ?        ?        ?         ?        
1 1 1 8  40 4  o 624.0464 15.86336 3924.049   197.9895 3924.049   197.9895 ?          ?        624.0464 15.86336 ?        ?        ?         ?        
1 1 1 8  40 5  o 393.7032 10.37481 1554.983   81.69191 1554.983   81.69191 ?          ?        393.7032 10.37481 ?        ?        ?         ?        
1 1 1 8  40 6  o 502.8967 13.02926 2543.795   131.0475 2543.795   131.0475 ?          ?        502.8967 13.02926 ?        ?        ?         ?        
1 1 1 8  40 7  o 340.0482 9.509354 1160.139   64.67276 1160.139   64.67276 ?          ?        340.0482 9.509354 ?        ?        ?         ?        
1 1 1 8  40 8  o 536.7153 14.05802 2904.601   150.9031 2904.601   150.9031 ?          ?        536.7153 14.05802 ?        ?        ?         ?        
1 1 1 8  40 9  o 320.1698 8.239278 1028.524   52.75936 1028.524   52.75936 ?          ?        320.1698 8.239278 ?        ?        ?         ?        
1 1 1 8  40 10 o 350.6259 8.494384 1235.590   59.56702 1235.590   59.56702 ?          ?        350.6259 8.494384 ?        ?        ?         ?        
1 1 1 8  40 11 o 278.6272 7.329857 780.0444   40.84595 780.0444   40.84595 ?          ?        278.6272 7.329857 ?        ?        ?         ?        
1 1 1 8  40 12 o 105.0530 7.830256 111.1918   16.45185 111.1918   16.45185 ?          ?        105.0530 7.830256 ?        ?        ?         ?        
1 1 1 8  40 13 o 82.90725 9.579704 69.77851   15.88454 69.77851   15.88454 ?          ?        82.90725 9.579704 ?        ?        ?         ?        
1 1 1 8  40 14 o 150.4649 6.598110 228.6239   19.85567 228.6239   19.85567 ?          ?        150.4649 6.598110 ?        ?        ?         ?        
1 1 1 8  40 15 o 113.3475 7.507508 130.4801   17.01915 130.4801   17.01915 ?          ?        113.3475 7.507508 ?        ?        ?         ?        
1 1 1 8  40 16 o 43.90129 14.19204 20.42298   14.18262 20.42298   14.18262 ?          ?        43.90129 14.19204 ?        ?        ?         ?        
1 1 1 8  41 0  o 128.0476 10.32079 167.3549   26.09603 167.3549   26.09603 167.3549   26.09603 128.0476 10.32079 128.0476 10.32079 -0.000000 0.000000 
1 1 1 8  41 1  o 65.60050 13.43488 44.81709   17.01915 44.81709   17.01915 ?          ?        65.60050 13.43488 ?        ?        ?         ?        
1 1 1 8  41 2  o 686.7133 15.03532 4744.939   206.4990 4744.939   206.4990 ?          ?        686.7133 15.03532 ?        ?        ?         ?        
1 1 1 8  41 3  o 529.0924 12.54501 2812.698   132.7494 2812.698   132.7494 ?          ?        529.0924 12.54501 ?        ?        ?         ?        
1 1 1 8  41 4  o 605.3713 14.24421 3686.915   172.4607 3686.915   172.4607 ?          ?        605.3713 14.24421 ?        ?        ?         ?        
1 1 1 8  41 5  o 317.5108 8.397615 1010.370   53.32666 1010.370   53.32666 ?          ?        317.5108 8.397615 ?        ?        ?         ?        
1 1 1 8  41 6  o 433.1426 11.26378 1885.154   97.57646 1885.154   97.57646 ?          ?        433.1426 11.26378 ?        ?        ?         ?        
1 1 1 8  41 7  f 408.9688 11.79086 1680.925   96.44185 1680.925   96.44185 ?          ?        408.9688 11.79086 ?        ?        ?         ?        
1 1 1 8  41 8  o 306.4930 8.144205 942.2936   49.92284 942.2936   49.92284 ?          ?        306.4930 8.144205 ?        ?        ?         ?        
1 1 1 8  41 9  o 133.0735 7.034107 177.5665   18.72106 177.5665   18.72106 ?          ?        133.0735 7.034107 ?        ?        ?         ?        
1 1 1 8  41 10 o 156.6712 6.698833 246.2104   20.99029 246.2104   20.99029 ?          ?        156.6712 6.698833 ?        ?        ?         ?        
1 1 1 8  41 11 o 98.70911 8.620861 98.14376   17.01915 98.14376   17.01915 ?          ?        98.70911 8.620861 ?        ?        ?         ?        
1 1 1 8  41 12 o 293.7165 8.208753 870.8131   48.22092 870.8131   48.22092 ?          ?        293.7165 8.208753 ?        ?        ?         ?        
1 1 1 8  41 13 o 120.7817 6.575723 146.9320   15.88454 146.9320   15.88454 ?          ?        120.7817 6.575723 ?        ?        ?         ?        
1 1 1 8  41 14 o 29.43618 12.55538 0.5673050  13.04801 0.5673050  13.04801 ?          ?        29.43618 12.55538 ?        ?        ?         ?        
1 1 1 8  41 15 f 121.0435 7.030181 148.6339   17.01915 148.6339   17.01915 ?          ?        121.0435 7.030181 ?        ?        ?         ?        
1 1 1 8  41 16 o 236.2182 6.964680 567.3050   32.90369 567.3050   32.90369 ?          ?        236.2182 6.964680 ?        ?        ?         ?        
1 1 1 8  42 0  o 262.1712 9.548686 690.9775   49.92284 690.9775   49.92284 690.9775   49.92284 262.1712 9.548686 262.1712 9.548686 -0.000000 0.000000 
1 1 1 8  42 1  o 65.21290 13.07500 44.24979   16.45185 44.24979   16.45185 ?          ?        65.21290 13.07500 ?        ?        ?         ?        
1 1 1 8  42 2  o 352.0416 8.137932 1241.830   57.29780 1241.830   57.29780 ?          ?        352.0416 8.137932 ?        ?        ?         ?        
1 1 1 8  42 3  f 571.4006 12.70825 3280.724   145.2301 3280.724   145.2301 ?          ?        571.4006 12.70825 ?        ?        ?         ?        
1 1 1 8  42 4  o 539.8944 13.81763 2931.832   149.2012 2931.832   149.2012 ?          ?        539.8944 13.81763 ?        ?        ?         ?        
1 1 1 8  42 5  o 154.0538 6.628519 237.7008   20.42298 237.7008   20.42298 ?          ?        154.0538 6.628519 ?        ?        ?         ?        
1 1 1 8  42 6  o 76.24480 11.90492 58.43241   18.15376 58.43241   18.15376 ?          ?        76.24480 11.90492 ?        ?        ?         ?        
1 1 1 8  42 7  o 142.7707 6.953696 204.2298   19.85567 204.2298   19.85567 ?          ?        142.7707 6.953696 ?        ?        ?         ?        
1 1 1 8  42 8  o 230.8153 6.759034 533.8340   31.20177 533.8340   31.20177 ?          ?        230.8153 6.759034 ?        ?        ?         ?        
1 1 1 8  42 9  o 438.4260 11.83972 1939.048   103.8168 1939.048   103.8168 ?          ?        438.4260 11.83972 ?        ?        ?         ?        
1 1 1 8  42 10 o 142.0100 7.390424 202.5279   20.99029 202.5279   20.99029 ?          ?        142.0100 7.390424 ?        ?        ?         ?        
1 1 1 8  42 11 o 278.6166 7.533751 781.7462   41.98057 781.7462   41.98057 ?          ?        278.6166 7.533751 ?        ?        ?         ?        
1 1 1 8  42 12 o 276.4270 9.543091 774.3713   52.75936 774.3713   52.75936 ?          ?        276.4270 9.543091 ?        ?        ?         ?        
1 1 1 8  42 13 o 88.57761 8.325992 79.42269   14.74993 79.42269   14.74993 ?          ?        88.57761 8.325992 ?        ?        ?         ?        
1 1 1 8  42 14 o 94.40303 8.413151 90.76879   15.88454 90.76879   15.88454 ?          ?        94.40303 8.413151 ?        ?        ?         ?        
1 1 1 8  42 15 o 159.9236 6.562599 259.2584   20.99029 259.2584   20.99029 ?          ?        159.9236 6.562599 ?        ?        ?         ?        
1 1 1 8  43 0  f 400.7702 13.26717 1615.684   106.0860 1615.684   106.0860 1615.684   106.0860 400.7702 13.26717 400.7702 13.26717 -0.000000 0.000000 
1 1 1 8  43 1  o 169.9986 6.173665 289.3255   20.99029 289.3255   20.99029 ?          ?        169.9986 6.173665 ?        ?        ?         ?        
1 1 1 8  43 2  o 602.6981 13.36611 3651.742   161.1146 3651.742   161.1146 ?          ?        602.6981 13.36611 ?        ?        ?         ?        
1 1 1 8  43 3  o 286.2032 6.937615 820.3230   39.71135 820.3230   39.71135 ?          ?        286.2032 6.937615 ?        ?        ?         ?        
1 1 1 8  43 4  o 719.7241 18.28683 5239.628   263.2295 5239.628   263.2295 ?          ?        719.7241 18.28683 ?        ?        ?         ?        
1 1 1 8  43 5  o 357.5009 8.489717 1281.542   60.70163 1281.542   60.70163 ?          ?        357.5009 8.489717 ?        ?        ?         ?        
1 1 1 8  43 6  o 598.8656 13.26219 3609.194   158.8454 3609.194   158.8454 ?          ?        598.8656 13.26219 ?        ?        ?         ?        
1 1 1 8  43 7  f 243.1128 6.650488 592.2664   32.33638 592.2664   32.33638 ?          ?        243.1128 6.650488 ?        ?        ?         ?        
1 1 1 8  43 8  o 576.4099 15.05832 3362.984   173.5953 3362.984   173.5953 ?          ?        576.4099 15.05832 ?        ?        ?         ?        
1 1 1 8  43 9  o 106.6496 10.37271 114.5956   22.12490 114.5956   22.12490 ?          ?        106.6496 10.37271 ?        ?        ?         ?        
1 1 1 8  43 10 o 67.48875 12.65576 47.65361   16.45185 47.65361   16.45185 ?          ?        67.48875 12.65576 ?        ?        ?         ?        
1 1 1 8  43 11 o 217.4504 6.652678 475.4016   28.93255 475.4016   28.93255 ?          ?        217.4504 6.652678 ?        ?        ?         ?        
1 1 1 8  43 12 o 98.27171 10.10244 98.14376   19.85567 98.14376   19.85567 ?          ?        98.27171 10.10244 ?        ?        ?         ?        
1 1 1 8  43 13 o 43.30778 14.47893 18.72106   14.74993 18.72106   14.74993 ?          ?        43.30778 14.47893 ?        ?        ?         ?        
1 1 1 8  43 14 o 134.7050 7.159487 183.8068   19.28837 183.8068   19.28837 ?          ?        134.7050 7.159487 ?        ?        ?         ?        
1 1 1 8  43 15 o 126.7921 7.158866 163.3838   18.15376 163.3838   18.15376 ?          ?        126.7921 7.158866 ?        ?        ?         ?        
1 1 1 8  44 0  o 127.4835 11.52512 166.7877   28.93255 166.7877   28.93255 166.7877   28.93255 127.4835 11.52512 127.4835 11.52512 -0.000000 0.000000 
1 1 1 8  44 1  o 112.5962 8.817205 127.0763   19.85567 127.0763   19.85567 ?          ?        112.5962 8.817205 ?        ?        ?         ?        
1 1 1 8  44 2  o 409.0316 9.223194 1677.521   75.45156 1677.521   75.45156 ?          ?        409.0316 9.223194 ?        ?        ?         ?        
1 1 1 8  44 3  o 406.0445 9.360903 1653.694   76.01886 1653.694   76.01886 ?          ?        406.0445 9.360903 ?        ?        ?         ?        
1 1 1 8  44 4  o 263.3586 7.216290 694.9486   38.00943 694.9486   38.00943 ?          ?        263.3586 7.216290 ?        ?        ?         ?        
1 1 1 8  44 5  o 436.6163 10.65444 1914.087   93.03801 1914.087   93.03801 ?          ?        436.6163 10.65444 ?        ?        ?         ?        
1 1 1 8  44 6  o 401.6417 10.73474 1620.790   86.23035 1620.790   86.23035 ?          ?        401.6417 10.73474 ?        ?        ?         ?        
1 1 1 8  44 7  o 205.6530 6.758458 423.7768   27.79794 423.7768   27.79794 ?          ?        205.6530 6.758458 ?        ?        ?         ?        
1 1 1 8  44 8  o 415.2544 10.31453 1734.819   85.66305 1734.819   85.66305 ?          ?        415.2544 10.31453 ?        ?        ?         ?        
1 1 1 8  44 9  o 224.7065 6.942784 506.6033   31.20177 506.6033   31.20177 ?          ?        224.7065 6.942784 ?        ?        ?         ?        
1 1 1 8  44 10 o 195.5662 7.687210 384.6328   30.06716 384.6328   30.06716 ?          ?        195.5662 7.687210 ?        ?        ?         ?        
1 1 1 8  44 11 o 368.5920 9.773372 1375.714   72.04772 1375.714   72.04772 ?          ?        368.5920 9.773372 ?        ?        ?         ?        
1 1 1 8  44 12 o 251.7735 7.210354 639.3527   36.30752 639.3527   36.30752 ?          ?        251.7735 7.210354 ?        ?        ?         ?        
1 1 1 8  44 13 o 78.81220 10.07746 63.53815   15.88454 63.53815   15.88454 ?          ?        78.81220 10.07746 ?        ?        ?         ?        
1 1 1 8  44 14 o 44.31354 15.02552 19.85567   15.88454 19.85567   15.88454 ?          ?        44.31354 15.02552 ?        ?        ?         ?        
1 1 1 8  44 15 o 196.7690 7.351907 394.2770   28.93255 394.2770   28.93255 ?          ?        196.7690 7.351907 ?        ?        ?         ?        
1 1 1 8  45 0  o 561.8096 17.50662 3181.446   196.2875 3181.446   196.2875 3181.446   196.2875 561.8096 17.50662 561.8096 17.50662 -0.000000 0.000000 
1 1 1 8  45 1  o 260.2589 7.084259 678.4968   36.87482 678.4968   36.87482 ?          ?        260.2589 7.084259 ?        ?        ?         ?        
1 1 1 8  45 2  o 107.4223 8.977825 115.7302   19.28837 115.7302   19.28837 ?          ?        107.4223 8.977825 ?        ?        ?         ?        
1 1 1 8  45 3  o 447.2102 10.08491 2007.692   90.20149 2007.692   90.20149 ?          ?        447.2102 10.08491 ?        ?        ?         ?        
1 1 1 8  45 4  o 684.0043 17.37568 4729.622   237.7008 4729.622   237.7008 ?          ?        684.0043 17.37568 ?        ?        ?         ?        
1 1 1 8  45 5  o 300.2882 7.651267 903.7169   45.95170 903.7169   45.95170 ?          ?        300.2882 7.651267 ?        ?        ?         ?        
1 1 1 8  45 6  o 397.2666 9.210734 1584.483   73.18234 1584.483   73.18234 ?          ?        397.2666 9.210734 ?        ?        ?         ?        
1 1 1 8  45 7  o 275.0161 7.322962 758.4867   40.27865 758.4867   40.27865 ?          ?        275.0161 7.322962 ?        ?        ?         ?        
1 1 1 8  45 8  o 194.0864 6.576638 377.8251   25.52872 377.8251   25.52872 ?          ?        194.0864 6.576638 ?        ?        ?         ?        
1 1 1 8  45 9  o 85.80295 10.57875 74.31695   18.15376 74.31695   18.15376 ?          ?        85.80295 10.57875 ?        ?        ?         ?        
1 1 1 8  45 10 o 324.7551 8.559663 1064.264   55.59589 1064.264   55.59589 ?          ?        324.7551 8.559663 ?        ?        ?         ?        
1 1 1 8  45 11 o 55.03202 13.90366 32.33638   15.31723 32.33638   15.31723 ?          ?        55.03202 13.90366 ?        ?        ?         ?        
1 1 1 8  45 12 o 376.5016 10.47212 1443.791   78.85539 1443.791   78.85539 ?          ?        376.5016 10.47212 ?        ?        ?         ?        
1 1 1 8  45 13 o 83.20915 9.885839 70.91312   16.45185 70.91312   16.45185 ?          ?        83.20915 9.885839 ?        ?        ?         ?        
1 1 1 8  45 14 f 114.6838 7.914698 133.8840   18.15376 133.8840   18.15376 ?          ?        114.6838 7.914698 ?        ?        ?         ?        
1 1 1 8  45 15 o 132.2407 7.292901 178.1338   19.28837 178.1338   19.28837 ?          ?        132.2407 7.292901 ?        ?        ?         ?        
1 1 1 8  46 0  o 22.99678 16.09594 -22.69220  26.09603 -22.69220  26.09603 -22.69220  26.09603 22.99678 16.09594 22.99678 16.09594 -0.000000 0.000000 
1 1 1 8  46 1  o 443.3997 10.10761 1973.654   89.63419 1973.654   89.63419 ?          ?        443.3997 10.10761 ?        ?        ?         ?        
1 1 1 8  46 2  o 234.8486 7.005300 552.5551   32.90369 552.5551   32.90369 ?          ?        234.8486 7.005300 ?        ?        ?         ?        
1 1 1 8  46 3  o 113.8051 9.222034 129.9128   20.99029 129.9128   20.99029 ?          ?        113.8051 9.222034 ?        ?        ?         ?        
1 1 1 8  46 4  o 306.9982 7.761222 944.5627   47.65361 944.5627   47.65361 ?          ?        306.9982 7.761222 ?        ?        ?         ?        
1 1 1 8  46 5  o 169.4229 6.696910 287.6236   22.69220 287.6236   22.69220 ?          ?        169.4229 6.696910 ?        ?        ?         ?        
1 1 1 8  46 6  o 204.5428 6.795142 419.2384   27.79794 419.2384   27.79794 ?          ?        204.5428 6.795142 ?        ?        ?         ?        
1 1 1 8  46 7  o 282.1843 7.438503 798.7654   41.98057 798.7654   41.98057 ?          ?        282.1843 7.438503 ?        ?        ?         ?        
1 1 1 8  46 8  o 320.3975 8.764612 1031.928   56.16319 1031.928   56.16319 ?          ?        320.3975 8.764612 ?        ?        ?         ?        
1 1 1 8  46 9  o 195.1908 6.394109 382.3636   24.96142 382.3636   24.96142 ?          ?        195.1908 6.394109 ?        ?        ?         ?        
1 1 1 8  46 10 o 135.1565 7.135570 183.8068   19.28837 183.8068   19.28837 ?          ?        135.1565 7.135570 ?        ?        ?         ?        
1 1 1 8  46 11 o 86.63096 11.45992 76.58617   19.85567 76.58617   19.85567 ?          ?        86.63096 11.45992 ?        ?        ?         ?        
1 1 1 8  46 12 o 240.1121 7.796801 583.1895   37.44213 583.1895   37.44213 ?          ?        240.1121 7.796801 ?        ?        ?         ?        
1 1 1 8  46 13 o 85.20132 9.654689 74.31695   16.45185 74.31695   16.45185 ?          ?        85.20132 9.654689 ?        ?        ?         ?        
1 1 1 8  46 14 o 156.1581 6.720842 247.3450   20.99029 247.3450   20.99029 ?          ?        156.1581 6.720842 ?        ?        ?         ?        
1 1 1 8  47 0  o 789.3823 24.48661 6316.940   385.7674 6316.940   385.7674 6316.940   385.7674 789.3823 24.48661 789.3823 24.48661 -0.000000 0.000000 
1 1 1 8  47 1  o 101.1461 10.09578 102.6822   20.42298 102.6822   20.42298 ?          ?        101.1461 10.09578 ?        ?        ?         ?        
1 1 1 8  47 2  o 302.0002 7.607895 913.9283   45.95170 913.9283   45.95170 ?          ?        302.0002 7.607895 ?        ?        ?         ?        
1 1 1 8  47 3  o 226.0037 7.028443 511.7091   31.76908 511.7091   31.76908 ?          ?        226.0037 7.028443 ?        ?        ?         ?        
1 1 1 8  47 4  o 398.2067 10.68487 1593.560   85.09574 1593.560   85.09574 ?          ?        398.2067 10.68487 ?        ?        ?         ?        
1 1 1 8  47 5  o 301.0038 7.444607 908.2553   44.81709 908.2553   44.81709 ?          ?        301.0038 7.444607 ?        ?        ?         ?        
1 1 1 8  47 6  o 520.3276 13.68307 2734.977   142.3935 2734.977   142.3935 ?          ?        520.3276 13.68307 ?        ?        ?         ?        
1 1 1 8  47 7  o 334.1990 8.232906 1122.129   55.02858 1122.129   55.02858 ?          ?        334.1990 8.232906 ?        ?        ?         ?        
1 1 1 8  47 8  o 229.4987 7.045005 528.7282   32.33638 528.7282   32.33638 ?          ?        229.4987 7.045005 ?        ?        ?         ?        
1 1 1 8  47 9  o 149.2410 7.412470 224.0854   22.12490 224.0854   22.12490 ?          ?        149.2410 7.412470 ?        ?        ?         ?        
1 1 1 8  47 10 o 134.2404 7.395564 181.5376   19.85567 181.5376   19.85567 ?          ?        134.2404 7.395564 ?        ?        ?         ?        
1 1 1 8  47 11 o 30.56340 13.32780 -2.269220  15.31723 -2.269220  15.31723 ?          ?        30.56340 13.32780 ?        ?        ?         ?        
1 1 1 8  47 12 o 146.3077 8.142702 217.2778   23.82681 217.2778   23.82681 ?          ?        146.3077 8.142702 ?        ?        ?         ?        
1 1 1 8  47 13 o 92.13300 9.236185 86.79766   17.01915 86.79766   17.01915 ?          ?        92.13300 9.236185 ?        ?        ?         ?        
1 1 1 8  47 14 o 146.9162 6.757482 218.9797   19.85567 218.9797   19.85567 ?          ?        146.9162 6.757482 ?        ?        ?         ?        
1 1 1 8  48 0  o 298.1143 10.78263 894.0726   64.10546 894.0726   64.10546 894.0726   64.10546 298.1143 10.78263 298.1143 10.78263 -0.000000 0.000000 
1 1 1 8  48 1  o 318.9204 7.915790 1019.447   50.49014 1019.447   50.49014 ?          ?        318.9204 7.915790 ?        ?        ?         ?        
1 1 1 8  48 2  o 215.0764 7.121763 463.4882   30.63447 463.4882   30.63447 ?          ?        215.0764 7.121763 ?        ?        ?         ?        
1 1 1 8  48 3  o 191.5271 6.960721 367.6136   26.66333 367.6136   26.66333 ?          ?        191.5271 6.960721 ?        ?        ?         ?        
1 1 1 8  48 4  o 252.5398 8.648632 639.9200   43.68248 639.9200   43.68248 ?          ?        252.5398 8.648632 ?        ?        ?         ?        
1 1 1 8  48 5  o 416.7349 9.733360 1745.030   81.12460 1745.030   81.12460 ?          ?        416.7349 9.733360 ?        ?        ?         ?        
1 1 1 8  48 6  o 203.3561 8.369135 415.2672   34.03830 415.2672   34.03830 ?          ?        203.3561 8.369135 ?        ?        ?         ?        
1 1 1 8  48 7  o 241.0698 7.177506 583.1895   34.60560 583.1895   34.60560 ?          ?        241.0698 7.177506 ?        ?        ?         ?        
1 1 1 8  48 8  o 404.2498 9.542796 1647.453   77.15348 1647.453   77.15348 ?          ?        404.2498 9.542796 ?        ?        ?         ?        
1 1 1 8  48 9  f 41.37529 16.14302 11.34610   19.28837 11.34610   19.28837 ?          ?        41.37529 16.14302 ?        ?        ?         ?        
1 1 1 8  48 10 o 286.3437 7.726691 827.1306   44.24979 827.1306   44.24979 ?          ?        286.3437 7.726691 ?        ?        ?         ?        
1 1 1 8  48 11 o 37.53369 15.00840 7.942269   17.01915 7.942269   17.01915 ?          ?        37.53369 15.00840 ?        ?        ?         ?        
1 1 1 8  48 12 o 277.8745 7.553871 782.3135   41.98057 782.3135   41.98057 ?          ?        277.8745 7.553871 ?        ?        ?         ?        
1 1 1 8  48 13 o 37.65771 14.85257 9.644185   16.45185 9.644185   16.45185 ?          ?        37.65771 14.85257 ?        ?        ?         ?        
1 1 1 8  48 14 o 162.9817 6.961581 270.0372   22.69220 270.0372   22.69220 ?          ?        162.9817 6.961581 ?        ?        ?         ?        
1 1 1 8  49 0  f 221.0088 9.925544 492.4207   43.68248 492.4207   43.68248 492.4207   43.68248 221.0088 9.925544 221.0088 9.925544 -0.000000 0.000000 
1 1 1 8  49 1  o 281.2738 7.462580 793.0923   41.98057 793.0923   41.98057 ?          ?        281.2738 7.462580 ?        ?        ?         ?        
1 1 1 8  49 2  o 418.2775 9.494020 1756.944   79.42269 1756.944   79.42269 ?          ?        418.2775 9.494020 ?        ?        ?         ?        
1 1 1 8  49 3  o 169.3804 7.535915 287.6236   25.52872 287.6236   25.52872 ?          ?        169.3804 7.535915 ?        ?        ?         ?        
1 1 1 8  49 4  o 555.5569 12.35587 3109.398   137.2878 3109.398   137.2878 ?          ?        555.5569 12.35587 ?        ?        ?         ?        
1 1 1 8  49 5  o 138.8544 7.762657 193.4510   21.55759 193.4510   21.55759 ?          ?        138.8544 7.762657 ?        ?        ?         ?        
1 1 1 8  49 6  o 324.2292 8.311092 1056.322   53.89397 1056.322   53.89397 ?          ?        324.2292 8.311092 ?        ?        ?         ?        
1 1 1 8  49 7  o 226.4106 6.890529 514.5456   31.20177 514.5456   31.20177 ?          ?        226.4106 6.890529 ?        ?        ?         ?        
1 1 1 8  49 8  o 240.0278 7.208666 579.2183   34.60560 579.2183   34.60560 ?          ?        240.0278 7.208666 ?        ?        ?         ?        
1 1 1 8  49 9  o 127.3656 7.572050 163.3838   19.28837 163.3838   19.28837 ?          ?        127.3656 7.572050 ?        ?        ?         ?        
1 1 1 8  49 10 o 329.9810 8.939864 1102.841   58.99971 1102.841   58.99971 ?          ?        329.9810 8.939864 ?        ?        ?         ?        
1 1 1 8  49 11 f 67.60316 13.48475 48.78823   17.58645 48.78823   17.58645 ?          ?        67.60316 13.48475 ?        ?        ?         ?        
1 1 1 8  49 12 o 80.82954 11.22966 67.50929   18.15376 67.50929   18.15376 ?          ?        80.82954 11.22966 ?        ?        ?         ?        
1 1 1 8  49 13 o 62.81933 16.49544 44.24979   20.99029 44.24979   20.99029 ?          ?        62.81933 16.49544 ?        ?        ?         ?        
1 1 1 8  49 14 o 131.4597 7.120456 175.8645   18.72106 175.8645   18.72106 ?          ?        131.4597 7.120456 ?        ?        ?         ?        
1 1 1 8  50 0  o 129.5485 12.47471 173.0280   31.76908 173.0280   31.76908 173.0280   31.76908 129.5485 12.47471 129.5485 12.47471 -0.000000 0.000000 
1 1 1 8  50 1  o 279.1535 7.417652 781.1789   41.41326 781.1789   41.41326 ?          ?        279.1535 7.417652 ?        ?        ?         ?        
1 1 1 8  50 2  o 559.2621 12.47689 3149.110   139.5570 3149.110   139.5570 ?          ?        559.2621 12.47689 ?        ?        ?         ?        
1 1 1 8  50 3  o 66.51443 15.24429 46.51900   19.85567 46.51900   19.85567 ?          ?        66.51443 15.24429 ?        ?        ?         ?        
1 1 1 8  50 4  o 544.0027 12.14903 2983.457   132.1821 2983.457   132.1821 ?          ?        544.0027 12.14903 ?        ?        ?         ?        
1 1 1 8  50 5  o 190.1151 6.564817 362.5079   24.96142 362.5079   24.96142 ?          ?        190.1151 6.564817 ?        ?        ?         ?        
1 1 1 8  50 6  o 554.4438 13.40387 3112.235   148.6339 3112.235   148.6339 ?          ?        554.4438 13.40387 ?        ?        ?         ?        
1 1 1 8  50 7  o 80.61274 11.96360 65.80738   19.28837 65.80738   19.28837 ?          ?        80.61274 11.96360 ?        ?        ?         ?        
1 1 1 8  50 8  o 422.0414 9.879816 1802.895   83.39383 1802.895   83.39383 ?          ?        422.0414 9.879816 ?        ?        ?         ?        
1 1 1 8  50 9  o 61.21939 15.68340 40.27865   19.28837 40.27865   19.28837 ?          ?        61.21939 15.68340 ?        ?        ?         ?        
1 1 1 8  50 10 o 160.6717 7.238208 260.3930   23.25950 260.3930   23.25950 ?          ?        160.6717 7.238208 ?        ?        ?         ?        
1 1 1 8  50 11 o 135.2137 7.132549 184.9414   19.28837 184.9414   19.28837 ?          ?        135.2137 7.132549 ?        ?        ?         ?        
1 1 1 8  50 12 o 155.7292 7.103642 245.6430   22.12490 245.6430   22.12490 ?          ?        155.7292 7.103642 ?        ?        ?         ?        
1 1 1 8  50 13 o 145.4260 7.216825 215.0086   20.99029 215.0086   20.99029 ?          ?        145.4260 7.216825 ?        ?        ?         ?        
1 1 1 8  51 0  o 245.1998 10.21841 605.8817   49.92284 605.8817   49.92284 605.8817   49.92284 245.1998 10.21841 245.1998 10.21841 -0.000000 0.000000 
1 1 1 8  51 1  o 72.12846 14.66718 54.46128   20.42298 54.46128   20.42298 ?          ?        72.12846 14.66718 ?        ?        ?         ?        
1 1 1 8  51 2  o 487.6763 11.05118 2394.027   107.7879 2394.027   107.7879 ?          ?        487.6763 11.05118 ?        ?        ?         ?        
1 1 1 8  51 3  o 256.0267 7.422942 657.5065   38.00943 657.5065   38.00943 ?          ?        256.0267 7.422942 ?        ?        ?         ?        
1 1 1 8  51 4  o 220.2640 6.954035 486.7477   30.63447 486.7477   30.63447 ?          ?        220.2640 6.954035 ?        ?        ?         ?        
1 1 1 8  51 5  o 158.7460 7.683381 253.0180   24.39412 253.0180   24.39412 ?          ?        158.7460 7.683381 ?        ?        ?         ?        
1 1 1 8  51 6  o 635.0440 16.61597 4131.115   211.0374 4131.115   211.0374 ?          ?        635.0440 16.61597 ?        ?        ?         ?        
1 1 1 8  51 7  o 185.4164 6.731180 345.4887   24.96142 345.4887   24.96142 ?          ?        185.4164 6.731180 ?        ?        ?         ?        
1 1 1 8  51 8  o 130.1527 8.063715 170.7588   20.99029 170.7588   20.99029 ?          ?        130.1527 8.063715 ?        ?        ?         ?        
1 1 1 8  51 9  o 60.32732 16.79022 39.14404   20.99029 39.14404   20.99029 ?          ?        60.32732 16.79022 ?        ?        ?         ?        
1 1 1 8  51 10 o 236.2706 6.843083 562.7665   32.33638 562.7665   32.33638 ?          ?        236.2706 6.843083 ?        ?        ?         ?        
1 1 1 8  51 11 o 33.39418 14.64671 -2.836525  18.72106 -2.836525  18.72106 ?          ?        33.39418 14.64671 ?        ?        ?         ?        
1 1 1 8  51 12 o 138.1309 7.803319 194.0183   21.55759 194.0183   21.55759 ?          ?        138.1309 7.803319 ?        ?        ?         ?        
1 1 1 8  51 13 o 102.4277 9.138673 107.7879   18.72106 107.7879   18.72106 ?          ?        102.4277 9.138673 ?        ?        ?         ?        
1 1 1 8  52 0  o 199.0920 10.75153 401.0846   42.54787 401.0846   42.54787 401.0846   42.54787 199.0920 10.75153 199.0920 10.75153 -0.000000 0.000000 
1 1 1 8  52 1  o 138.8013 8.583066 193.4510   23.82681 193.4510   23.82681 ?          ?        138.8013 8.583066 ?        ?        ?         ?        
1 1 1 8  52 2  o 482.5234 10.99284 2345.239   106.0860 2345.239   106.0860 ?          ?        482.5234 10.99284 ?        ?        ?         ?        
1 1 1 8  52 3  o 242.8366 7.008479 591.6991   34.03830 591.6991   34.03830 ?          ?        242.8366 7.008479 ?        ?        ?         ?        
1 1 1 8  52 4  o 329.1091 8.187858 1088.091   53.89397 1088.091   53.89397 ?          ?        329.1091 8.187858 ?        ?        ?         ?        
1 1 1 8  52 5  o 45.10530 16.22616 17.58645   18.72106 17.58645   18.72106 ?          ?        45.10530 16.22616 ?        ?        ?         ?        
1 1 1 8  52 6  o 72.24214 14.64587 55.02858   20.42298 55.02858   20.42298 ?          ?        72.24214 14.64587 ?        ?        ?         ?        
1 1 1 8  52 7  o 213.2021 6.918286 457.2478   29.49986 457.2478   29.49986 ?          ?        213.2021 6.918286 ?        ?        ?         ?        
1 1 1 8  52 8  o 403.1343 10.20246 1649.723   82.25922 1649.723   82.25922 ?          ?        403.1343 10.20246 ?        ?        ?         ?        
1 1 1 8  52 9  o 161.7983 7.713744 264.3641   24.96142 264.3641   24.96142 ?          ?        161.7983 7.713744 ?        ?        ?         ?        
1 1 1 8  52 10 f 156.0515 7.270741 246.2104   22.69220 246.2104   22.69220 ?          ?        156.0515 7.270741 ?        ?        ?         ?        
1 1 1 8  52 11 o 62.90992 15.79163 43.68248   19.85567 43.68248   19.85567 ?          ?        62.90992 15.79163 ?        ?        ?         ?        
1 1 1 8  52 12 o 244.7442 7.765133 609.8528   38.00943 609.8528   38.00943 ?          ?        244.7442 7.765133 ?        ?        ?         ?        
1 1 1 8  52 13 o 188.2836 6.779327 360.2386   25.52872 360.2386   25.52872 ?          ?        188.2836 6.779327 ?        ?        ?         ?        
1 1 1 8  53 0  o 460.0456 15.32838 2140.441   140.6916 2140.441   140.6916 2140.441   140.6916 460.0456 15.32838 460.0456 15.32838 -0.000000 0.000000 
1 1 1 8  53 1  o 195.4738 7.255511 383.4982   28.36525 383.4982   28.36525 ?          ?        195.4738 7.255511 ?        ?        ?         ?        
1 1 1 8  53 2  o 421.3821 9.827960 1787.578   82.82652 1787.578   82.82652 ?          ?        421.3821 9.827960 ?        ?        ?         ?        
1 1 1 8  53 3  o 211.3495 6.978927 448.1709   29.49986 448.1709   29.49986 ?          ?        211.3495 6.978927 ?        ?        ?         ?        
1 1 1 8  53 4  o 391.0259 9.140115 1539.098   71.48043 1539.098   71.48043 ?          ?        391.0259 9.140115 ?        ?        ?         ?        
1 1 1 8  53 5  o 149.4055 8.543437 224.6528   25.52872 224.6528   25.52872 ?          ?        149.4055 8.543437 ?        ?        ?         ?        
1 1 1 8  53 6  o 128.3403 8.619618 166.2204   22.12490 166.2204   22.12490 ?          ?        128.3403 8.619618 ?        ?        ?         ?        
1 1 1 8  53 7  o 240.7410 7.540786 583.7568   36.30752 583.7568   36.30752 ?          ?        240.7410 7.540786 ?        ?        ?         ?        
1 1 1 8  53 8  f 133.2587 7.875767 179.2684   20.99029 179.2684   20.99029 ?          ?        133.2587 7.875767 ?        ?        ?         ?        
1 1 1 8  53 9  o 148.6898 7.058413 222.9509   20.99029 222.9509   20.99029 ?          ?        148.6898 7.058413 ?        ?        ?         ?        
1 1 1 8  53 10 o 224.1514 7.213068 508.3052   32.33638 508.3052   32.33638 ?          ?        224.1514 7.213068 ?        ?        ?         ?        
1 1 1 8  53 11 o 129.3276 8.115162 170.1915   20.99029 170.1915   20.99029 ?          ?        129.3276 8.115162 ?        ?        ?         ?        
1 1 1 8  53 12 o 68.01637 12.56661 49.92284   16.45185 49.92284   16.45185 ?          ?        68.01637 12.56661 ?        ?        ?         ?        
1 1 1 8  54 0  f 269.3116 10.46149 731.2560   56.16319 731.2560   56.16319 731.2560   56.16319 269.3116 10.46149 269.3116 10.46149 -0.000000 0.000000 
1 1 1 8  54 1  f 171.9118 7.589947 296.7005   26.09603 296.7005   26.09603 ?          ?        171.9118 7.589947 ?        ?        ?         ?        
1 1 1 8  54 2  o 99.20259 11.15137 99.27837   22.12490 99.27837   22.12490 ?          ?        99.20259 11.15137 ?        ?        ?         ?        
1 1 1 8  54 3  o 166.6567 7.659076 279.1140   25.52872 279.1140   25.52872 ?          ?        166.6567 7.659076 ?        ?        ?         ?        
1 1 1 8  54 4  o 231.6186 7.225455 538.9397   33.47099 538.9397   33.47099 ?          ?        231.6186 7.225455 ?        ?        ?         ?        
1 1 1 8  54 5  o 200.6801 7.067280 405.0558   28.36525 405.0558   28.36525 ?          ?        200.6801 7.067280 ?        ?        ?         ?        
1 1 1 8  54 6  o 309.6284 7.970124 966.1203   49.35553 966.1203   49.35553 ?          ?        309.6284 7.970124 ?        ?        ?         ?        
1 1 1 8  54 7  o 193.6767 7.029923 377.8251   27.23064 377.8251   27.23064 ?          ?        193.6767 7.029923 ?        ?        ?         ?        
1 1 1 8  54 8  o 121.3997 8.645117 149.2012   20.99029 149.2012   20.99029 ?          ?        121.3997 8.645117 ?        ?        ?         ?        
1 1 1 8  54 9  o 200.2997 7.930388 406.1903   31.76908 406.1903   31.76908 ?          ?        200.2997 7.930388 ?        ?        ?         ?        
1 1 1 8  54 10 o 334.8400 8.471286 1142.552   56.73050 1142.552   56.73050 ?          ?        334.8400 8.471286 ?        ?        ?         ?        
1 1 1 8  54 11 o 142.1190 7.783934 205.3644   22.12490 205.3644   22.12490 ?          ?        142.1190 7.783934 ?        ?        ?         ?        
1 1 1 8  54 12 o 242.6176 7.131717 598.5067   34.60560 598.5067   34.60560 ?          ?        242.6176 7.131717 ?        ?        ?         ?        
1 1 1 8  55 0  o 138.4820 12.26763 197.4221   33.47099 197.4221   33.47099 197.4221   33.47099 138.4820 12.26763 138.4820 12.26763 -0.000000 0.000000 
1 1 1 8  55 1  o 76.47351 15.74654 61.83624   23.25950 61.83624   23.25950 ?          ?        76.47351 15.74654 ?        ?        ?         ?        
1 1 1 8  55 2  o 84.82954 13.70955 73.18234   23.25950 73.18234   23.25950 ?          ?        84.82954 13.70955 ?        ?        ?         ?        
1 1 1 8  55 3  o 249.4526 7.277438 625.1701   36.30752 625.1701   36.30752 ?          ?        249.4526 7.277438 ?        ?        ?         ?        
1 1 1 8  55 4  o 169.0898 7.213360 287.6236   24.39412 287.6236   24.39412 ?          ?        169.0898 7.213360 ?        ?        ?         ?        
1 1 1 8  55 5  o 78.22720 12.69103 62.40355   19.85567 62.40355   19.85567 ?          ?        78.22720 12.69103 ?        ?        ?         ?        
1 1 1 8  55 6  o 324.9536 8.205273 1065.966   53.32666 1065.966   53.32666 ?          ?        324.9536 8.205273 ?        ?        ?         ?        
1 1 1 8  55 7  o 102.9738 10.19205 107.7879   20.99029 107.7879   20.99029 ?          ?        102.9738 10.19205 ?        ?        ?         ?        
1 1 1 8  55 8  o 111.8952 9.379440 127.0763   20.99029 127.0763   20.99029 ?          ?        111.8952 9.379440 ?        ?        ?         ?        
1 1 1 8  55 9  o 231.1979 7.115915 540.6417   32.90369 540.6417   32.90369 ?          ?        231.1979 7.115915 ?        ?        ?         ?        
1 1 1 8  55 10 o 254.8775 7.233831 658.0737   36.87482 658.0737   36.87482 ?          ?        254.8775 7.233831 ?        ?        ?         ?        
1 1 1 8  55 11 o 53.81087 16.99399 31.76908   20.42298 31.76908   20.42298 ?          ?        53.81087 16.99399 ?        ?        ?         ?        
1 1 1 8  55 12 o 80.38631 11.29157 67.50929   18.15376 67.50929   18.15376 ?          ?        80.38631 11.29157 ?        ?        ?         ?        
1 1 1 8  56 0  o 25.57140 18.26165 -45.38440  38.00943 -45.38440  38.00943 -45.38440  38.00943 25.57140 18.26165 25.57140 18.26165 -0.000000 0.000000 
1 1 1 8  56 1  o 470.1523 10.79943 2233.480   101.5476 2233.480   101.5476 ?          ?        470.1523 10.79943 ?        ?        ?         ?        
1 1 1 8  56 2  o 366.3631 8.748897 1352.455   64.10546 1352.455   64.10546 ?          ?        366.3631 8.748897 ?        ?        ?         ?        
1 1 1 8  56 3  o 140.7776 9.268529 200.2587   26.09603 200.2587   26.09603 ?          ?        140.7776 9.268529 ?        ?        ?         ?        
1 1 1 8  56 4  o 100.3812 10.45528 102.1149   20.99029 102.1149   20.99029 ?          ?        100.3812 10.45528 ?        ?        ?         ?        
1 1 1 8  56 5  o 287.8348 7.686664 835.0729   44.24979 835.0729   44.24979 ?          ?        287.8348 7.686664 ?        ?        ?         ?        
1 1 1 8  56 6  o 175.4308 7.437698 310.3158   26.09603 310.3158   26.09603 ?          ?        175.4308 7.437698 ?        ?        ?         ?        
1 1 1 8  56 7  o 137.0429 8.486210 190.0471   23.25950 190.0471   23.25950 ?          ?        137.0429 8.486210 ?        ?        ?         ?        
1 1 1 8  56 8  o 384.8501 9.950130 1510.733   76.58617 1510.733   76.58617 ?          ?        384.8501 9.950130 ?        ?        ?         ?        
1 1 1 8  56 9  o 124.8325 8.634606 158.8454   21.55759 158.8454   21.55759 ?          ?        124.8325 8.634606 ?        ?        ?         ?        
1 1 1 8  56 10 o 241.8862 7.153282 593.4010   34.60560 593.4010   34.60560 ?          ?        241.8862 7.153282 ?        ?        ?         ?        
1 1 1 8  56 11 o 132.2147 8.367030 178.7011   22.12490 178.7011   22.12490 ?          ?        132.2147 8.367030 ?        ?        ?         ?        
1 1 1 8  57 0  o 163.0768 12.31497 272.8737   39.71135 272.8737   39.71135 272.8737   39.71135 163.0768 12.31497 163.0768 12.31497 -0.000000 0.000000 
1 1 1 8  57 1  o 119.9441 10.40544 145.7974   24.96142 145.7974   24.96142 ?          ?        119.9441 10.40544 ?        ?        ?         ?        
1 1 1 8  57 2  o 329.2618 8.442504 1093.764   55.59589 1093.764   55.59589 ?          ?        329.2618 8.442504 ?        ?        ?         ?        
1 1 1 8  57 3  o 127.0434 11.38688 163.9511   28.93255 163.9511   28.93255 ?          ?        127.0434 11.38688 ?        ?        ?         ?        
1 1 1 8  57 4  o 154.9639 8.053946 242.2392   24.96142 242.2392   24.96142 ?          ?        154.9639 8.053946 ?        ?        ?         ?        
1 1 1 8  57 5  o 45.22184 18.96422 5.673049   28.93255 5.673049   28.93255 ?          ?        45.22184 18.96422 ?        ?        ?         ?        
1 1 1 8  57 6  o 52.53087 17.03528 28.36525   20.42298 28.36525   20.42298 ?          ?        52.53087 17.03528 ?        ?        ?         ?        
1 1 1 8  57 7  o 79.22987 14.50242 66.94199   22.12490 66.94199   22.12490 ?          ?        79.22987 14.50242 ?        ?        ?         ?        
1 1 1 8  57 8  o 93.66178 11.20536 90.20149   20.99029 90.20149   20.99029 ?          ?        93.66178 11.20536 ?        ?        ?         ?        
1 1 1 8  57 9  o 127.0215 8.932423 164.5184   22.69220 164.5184   22.69220 ?          ?        127.0215 8.932423 ?        ?        ?         ?        
1 1 1 8  57 10 o 296.4850 8.610459 898.6110   51.05745 898.6110   51.05745 ?          ?        296.4850 8.610459 ?        ?        ?         ?        
1 1 1 8  57 11 o 122.1751 9.286750 153.7396   22.69220 153.7396   22.69220 ?          ?        122.1751 9.286750 ?        ?        ?         ?        
1 1 1 8  58 0  o 246.8886 10.72851 617.2278   52.75936 617.2278   52.75936 617.2278   52.75936 246.8886 10.72851 246.8886 10.72851 -0.000000 0.000000 
1 1 1 8  58 1  o 167.7175 8.287130 283.6525   27.79794 283.6525   27.79794 ?          ?        167.7175 8.287130 ?        ?        ?         ?        
1 1 1 8  58 2  o 298.7178 7.786447 899.1783   46.51900 899.1783   46.51900 ?          ?        298.7178 7.786447 ?        ?        ?         ?        
1 1 1 8  58 3  o 81.15504 13.28173 67.50929   21.55759 67.50929   21.55759 ?          ?        81.15504 13.28173 ?        ?        ?         ?        
1 1 1 8  58 4  o 253.7339 7.378226 648.9968   37.44213 648.9968   37.44213 ?          ?        253.7339 7.378226 ?        ?        ?         ?        
1 1 1 8  58 5  o 156.6740 10.13860 249.6142   31.76908 249.6142   31.76908 ?          ?        156.6740 10.13860 ?        ?        ?         ?        
1 1 1 8  58 6  o 341.2304 9.227029 1181.129   62.97085 1181.129   62.97085 ?          ?        341.2304 9.227029 ?        ?        ?         ?        
1 1 1 8  58 7  o 41.18512 16.12781 11.91340   19.28837 11.91340   19.28837 ?          ?        41.18512 16.12781 ?        ?        ?         ?        
1 1 1 8  58 8  o 230.8403 7.126939 540.0743   32.90369 540.0743   32.90369 ?          ?        230.8403 7.126939 ?        ?        ?         ?        
1 1 1 8  58 9  o 150.5843 8.099822 230.8931   24.39412 230.8931   24.39412 ?          ?        150.5843 8.099822 ?        ?        ?         ?        
1 1 1 8  58 10 o 253.8921 7.373630 655.8046   37.44213 655.8046   37.44213 ?          ?        253.8921 7.373630 ?        ?        ?         ?        
1 1 1 8  58 11 o 169.0584 8.053621 292.1620   27.23064 292.1620   27.23064 ?          ?        169.0584 8.053621 ?        ?        ?         ?        
1 1 1 8  59 0  o 196.1738 11.21014 392.0077   43.68248 392.0077   43.68248 392.0077   43.68248 196.1738 11.21014 196.1738 11.21014 -0.000000 0.000000 
1 1 1 8  59 1  o 40.44260 16.74784 5.673049   22.12490 5.673049   22.12490 ?          ?        40.44260 16.74784 ?        ?        ?         ?        
1 1 1 8  59 2  o 77.91767 15.10057 64.67276   22.69220 64.67276   22.69220 ?          ?        77.91767 15.10057 ?        ?        ?         ?        
1 1 1 8  59 3  o 122.5867 8.792789 152.0377   21.55759 152.0377   21.55759 ?          ?        122.5867 8.792789 ?        ?        ?         ?        
1 1 1 8  59 4  o 115.7264 10.04935 136.1532   23.25950 136.1532   23.25950 ?          ?        115.7264 10.04935 ?        ?        ?         ?        
1 1 1 8  59 5  o 44.51124 16.80101 15.88454   20.42298 15.88454   20.42298 ?          ?        44.51124 16.80101 ?        ?        ?         ?        
1 1 1 8  59 6  o 34.37012 15.43594 -8.509575  22.12490 -8.509575  22.12490 ?          ?        34.37012 15.43594 ?        ?        ?         ?        
1 1 1 8  59 7  f 54.23757 17.49351 31.20177   21.55759 31.20177   21.55759 ?          ?        54.23757 17.49351 ?        ?        ?         ?        
1 1 1 8  59 8  o 213.9420 7.424695 464.0555   31.76908 464.0555   31.76908 ?          ?        213.9420 7.424695 ?        ?        ?         ?        
1 1 1 8  59 9  o 86.05956 12.85441 77.72078   22.12490 77.72078   22.12490 ?          ?        86.05956 12.85441 ?        ?        ?         ?        
1 1 1 8  59 10 o 106.8208 9.293913 117.4321   19.85567 117.4321   19.85567 ?          ?        106.8208 9.293913 ?        ?        ?         ?        
1 1 1 8  60 0  o 30.03086 20.26087 -10.77879  34.03830 -10.77879  34.03830 -10.77879  34.03830 30.03086 20.26087 30.03086 20.26087 -0.000000 0.000000 
1 1 1 8  60 1  o 210.9405 7.395872 448.7382   31.20177 448.7382   31.20177 ?          ?        210.9405 7.395872 ?        ?        ?         ?        
1 1 1 8  60 2  o 249.2465 7.852476 627.4393   39.14404 627.4393   39.14404 ?          ?        249.2465 7.852476 ?        ?        ?         ?        
1 1 1 8  60 3  o 174.3477 7.646599 306.9120   26.66333 306.9120   26.66333 ?          ?        174.3477 7.646599 ?        ?        ?         ?        
1 1 1 8  60 4  o 171.7492 7.597132 297.8351   26.09603 297.8351   26.09603 ?          ?        171.7492 7.597132 ?        ?        ?         ?        
1 1 1 8  60 5  o 64.02535 16.99228 44.81709   22.12490 44.81709   22.12490 ?          ?        64.02535 16.99228 ?        ?        ?         ?        
1 1 1 8  60 6  o 142.1351 8.581313 205.3644   24.39412 205.3644   24.39412 ?          ?        142.1351 8.581313 ?        ?        ?         ?        
1 1 1 8  60 7  o 140.0810 8.302163 199.6914   23.25950 199.6914   23.25950 ?          ?        140.0810 8.302163 ?        ?        ?         ?        
1 1 1 8  60 8  o 255.0646 7.784567 661.4776   39.71135 661.4776   39.71135 ?          ?        255.0646 7.784567 ?        ?        ?         ?        
1 1 1 8  60 9  o 59.09786 16.28586 39.14404   19.85567 39.14404   19.85567 ?          ?        59.09786 16.28586 ?        ?        ?         ?        
1 1 1 8  60 10 o 225.7980 7.662957 520.2186   34.60560 520.2186   34.60560 ?          ?        225.7980 7.662957 ?        ?        ?         ?        
1 1 1 8  61 0  o 45.32048 24.67689 31.20177   31.20177 31.20177   31.20177 31.20177   31.20177 45.32048 24.67689 45.32048 24.67689 -0.000000 0.000000 
1 1 1 8  61 1  o 134.6212 9.270985 183.8068   24.96142 183.8068   24.96142 ?          ?        134.6212 9.270985 ?        ?        ?         ?        
1 1 1 8  61 2  o 237.5430 7.522895 569.5742   35.74022 569.5742   35.74022 ?          ?        237.5430 7.522895 ?        ?        ?         ?        
1 1 1 8  61 3  o 46.42307 17.49752 17.58645   22.12490 17.58645   22.12490 ?          ?        46.42307 17.49752 ?        ?        ?         ?        
1 1 1 8  61 4  o 222.2759 7.273928 499.2284   32.33638 499.2284   32.33638 ?          ?        222.2759 7.273928 ?        ?        ?         ?        
1 1 1 8  61 5  o 102.4814 10.79459 107.7879   22.12490 107.7879   22.12490 ?          ?        102.4814 10.79459 ?        ?        ?         ?        
1 1 1 8  61 6  o 195.7955 7.533334 389.1712   29.49986 389.1712   29.49986 ?          ?        195.7955 7.533334 ?        ?        ?         ?        
1 1 1 8  61 7  o 174.8098 7.950913 310.8831   27.79794 310.8831   27.79794 ?          ?        174.8098 7.950913 ?        ?        ?         ?        
1 1 1 8  61 8  o 110.3411 10.53981 125.9417   23.25950 125.9417   23.25950 ?          ?        110.3411 10.53981 ?        ?        ?         ?        
1 1 1 8  61 9  o 54.97815 17.72118 33.47099   22.12490 33.47099   22.12490 ?          ?        54.97815 17.72118 ?        ?        ?         ?        
1 1 1 8  62 0  o 114.1021 14.28648 138.4224   31.76908 138.4224   31.76908 138.4224   31.76908 114.1021 14.28648 114.1021 14.28648 -0.000000 0.000000 
1 1 1 8  62 1  o 131.8358 9.251706 176.4319   24.39412 176.4319   24.39412 ?          ?        131.8358 9.251706 ?        ?        ?         ?        
1 1 1 8  62 2  o 165.7270 8.044354 277.9794   26.66333 277.9794   26.66333 ?          ?        165.7270 8.044354 ?        ?        ?         ?        
1 1 1 8  62 3  o 202.9123 7.269114 416.4019   29.49986 416.4019   29.49986 ?          ?        202.9123 7.269114 ?        ?        ?         ?        
1 1 1 8  62 4  o 113.9541 9.956727 132.7494   22.69220 132.7494   22.69220 ?          ?        113.9541 9.956727 ?        ?        ?         ?        
1 1 1 8  62 5  o 100.1266 12.46493 104.3841   24.96142 104.3841   24.96142 ?          ?        100.1266 12.46493 ?        ?        ?         ?        
1 1 1 8  62 6  o 173.7616 7.998874 306.9120   27.79794 306.9120   27.79794 ?          ?        173.7616 7.998874 ?        ?        ?         ?        
1 1 1 8  62 7  o 34.50473 15.28863 -4.538440  20.99029 -4.538440  20.99029 ?          ?        34.50473 15.28863 ?        ?        ?         ?        
1 1 1 8  62 8  o 127.0236 9.155587 165.6530   23.25950 165.6530   23.25950 ?          ?        127.0236 9.155587 ?        ?        ?         ?        
1 1 1 8  62 9  o 117.0624 9.450045 141.2589   22.12490 141.2589   22.12490 ?          ?        117.0624 9.450045 ?        ?        ?         ?        
1 1 1 8  63 0  o 124.0259 13.54769 162.2492   32.90369 162.2492   32.90369 162.2492   32.90369 124.0259 13.54769 124.0259 13.54769 -0.000000 0.000000 
1 1 1 8  63 1  o 243.3822 7.692042 600.2086   37.44213 600.2086   37.44213 ?          ?        243.3822 7.692042 ?        ?        ?         ?        
1 1 1 8  63 2  o 91.27374 12.43085 86.23035   22.69220 86.23035   22.69220 ?          ?        91.27374 12.43085 ?        ?        ?         ?        
1 1 1 8  63 3  o 110.4469 11.04336 125.3744   24.39412 125.3744   24.39412 ?          ?        110.4469 11.04336 ?        ?        ?         ?        
1 1 1 8  63 4  o 71.19252 16.28346 56.16319   22.69220 56.16319   22.69220 ?          ?        71.19252 16.28346 ?        ?        ?         ?        
1 1 1 8  63 5  o 61.52249 17.27566 41.98057   22.12490 41.98057   22.12490 ?          ?        61.52249 17.27566 ?        ?        ?         ?        
1 1 1 8  63 6  o 78.96576 14.16360 67.50929   21.55759 67.50929   21.55759 ?          ?        78.96576 14.16360 ?        ?        ?         ?        
1 1 1 8  63 7  o 59.75970 17.99319 40.27865   23.25950 40.27865   23.25950 ?          ?        59.75970 17.99319 ?        ?        ?         ?        
1 1 1 8  63 8  o 132.1093 8.803127 179.2684   23.25950 179.2684   23.25950 ?          ?        132.1093 8.803127 ?        ?        ?         ?        
1 1 1 8  64 0  o 157.1974 11.86286 255.2872   36.87482 255.2872   36.87482 255.2872   36.87482 157.1974 11.86286 157.1974 11.86286 -0.000000 0.000000 
1 1 1 8  64 1  o 151.2890 8.812053 233.1623   26.66333 233.1623   26.66333 ?          ?        151.2890 8.812053 ?        ?        ?         ?        
1 1 1 8  64 2  f 169.2245 7.878094 291.0274   26.66333 291.0274   26.66333 ?          ?        169.2245 7.878094 ?        ?        ?         ?        
1 1 1 8  64 3  o 58.85157 18.31192 38.00943   23.82681 38.00943   23.82681 ?          ?        58.85157 18.31192 ?        ?        ?         ?        
1 1 1 8  64 4  o 150.7412 8.467732 231.4604   25.52872 231.4604   25.52872 ?          ?        150.7412 8.467732 ?        ?        ?         ?        
1 1 1 8  64 5  o 146.3913 8.331821 218.4124   24.39412 218.4124   24.39412 ?          ?        146.3913 8.331821 ?        ?        ?         ?        
1 1 1 8  64 6  o 134.3324 9.924386 186.0760   26.66333 186.0760   26.66333 ?          ?        134.3324 9.924386 ?        ?        ?         ?        
1 1 1 8  64 7  o 147.8023 8.828017 224.0854   26.09603 224.0854   26.09603 ?          ?        147.8023 8.828017 ?        ?        ?         ?        
1 1 1 8  65 0  o 330.7210 12.12886 1118.158   79.99000 1118.158   79.99000 1118.158   79.99000 330.7210 12.12886 330.7210 12.12886 -0.000000 0.000000 
1 1 1 8  65 1  o 174.5218 8.289092 309.7485   28.93255 309.7485   28.93255 ?          ?        174.5218 8.289092 ?        ?        ?         ?        
1 1 1 8  65 2  o 111.4868 11.19479 128.2109   24.96142 128.2109   24.96142 ?          ?        111.4868 11.19479 ?        ?        ?         ?        
1 1 1 8  65 3  o 51.41002 18.12683 26.66333   23.25950 26.66333   23.25950 ?          ?        51.41002 18.12683 ?        ?        ?         ?        
1 1 1 8  65 4  o 153.5607 8.496972 240.5373   26.09603 240.5373   26.09603 ?          ?        153.5607 8.496972 ?        ?        ?         ?        
1 1 1 8  65 5  o 118.6417 10.04149 145.2301   23.82681 145.2301   23.82681 ?          ?        118.6417 10.04149 ?        ?        ?         ?        
1 1 1 8  65 6  o 39.69854 16.61251 6.240355   22.12490 6.240355   22.12490 ?          ?        39.69854 16.61251 ?        ?        ?         ?        
1 1 1 8  65 7  o 94.38068 13.52434 94.73994   25.52872 94.73994   25.52872 ?          ?        94.38068 13.52434 ?        ?        ?         ?        
1 1 1 8  66 0  o 305.6725 11.63623 955.9088   70.91312 955.9088   70.91312 955.9088   70.91312 305.6725 11.63623 305.6725 11.63623 -0.000000 0.000000 
1 1 1 8  66 1  o 27.49155 13.28262 -32.33638  22.12490 -32.33638  22.12490 ?          ?        27.49155 13.28262 ?        ?        ?         ?        
1 1 1 8  66 2  o 118.3684 11.50250 145.2301   27.23064 145.2301   27.23064 ?          ?        118.3684 11.50250 ?        ?        ?         ?        
1 1 1 8  66 3  o 241.3612 7.991495 593.4010   38.57674 593.4010   38.57674 ?          ?        241.3612 7.991495 ?        ?        ?         ?        
1 1 1 8  66 4  o 63.12238 20.47424 45.38440   29.49986 45.38440   29.49986 ?          ?        63.12238 20.47424 ?        ?        ?         ?        
1 1 1 8  66 5  o 58.98918 17.77467 39.14404   22.69220 39.14404   22.69220 ?          ?        58.98918 17.77467 ?        ?        ?         ?        
1 1 1 8  66 6  o 94.17921 13.25209 94.17262   24.96142 94.17262   24.96142 ?          ?        94.17921 13.25209 ?        ?        ?         ?        
1 1 1 8  67 0  o 203.1058 10.53430 422.6422   42.54787 422.6422   42.54787 422.6422   42.54787 203.1058 10.53430 203.1058 10.53430 -0.000000 0.000000 
1 1 1 8  67 1  o 127.6501 9.999492 167.9223   25.52872 167.9223   25.52872 ?          ?        127.6501 9.999492 ?        ?        ?         ?        
1 1 1 8  67 2  o 50.81698 19.03282 24.39412   26.09603 24.39412   26.09603 ?          ?        50.81698 19.03282 ?        ?        ?         ?        
1 1 1 8  67 3  o 256.0644 7.754172 668.2853   39.71135 668.2853   39.71135 ?          ?        256.0644 7.754172 ?        ?        ?         ?        
1 1 1 8  67 4  o 125.1407 12.01335 163.9511   30.06716 163.9511   30.06716 ?          ?        125.1407 12.01335 ?        ?        ?         ?        
1 1 1 8  67 5  o 156.1824 8.535962 250.1815   26.66333 250.1815   26.66333 ?          ?        156.1824 8.535962 ?        ?        ?         ?        
1 1 1 8  68 0  o 241.6250 10.96610 598.5067   52.75936 598.5067   52.75936 598.5067   52.75936 241.6250 10.96610 241.6250 10.96610 -0.000000 0.000000 
1 1 1 8  68 1  o 214.3911 8.070670 469.1612   34.60560 469.1612   34.60560 ?          ?        214.3911 8.070670 ?        ?        ?         ?        
1 1 1 8  68 2  o 95.37210 12.19408 95.30723   23.25950 95.30723   23.25950 ?          ?        95.37210 12.19408 ?        ?        ?         ?        
1 1 1 8  68 3  o 153.0371 9.267440 241.1046   28.36525 241.1046   28.36525 ?          ?        153.0371 9.267440 ?        ?        ?         ?        
1 1 1 8  68 4  o 37.95663 16.91210 -5.105744  26.09603 -5.105744  26.09603 ?          ?        37.95663 16.91210 ?        ?        ?         ?        
1 1 1 8  69 0  o 49.62338 25.80516 40.84595   32.90369 40.84595   32.90369 40.84595   32.90369 49.62338 25.80516 49.62338 25.80516 -0.000000 0.000000 
1 1 1 8  69 1  o 79.79391 16.20526 71.48043   24.96142 71.48043   24.96142 ?          ?        79.79391 16.20526 ?        ?        ?         ?        
1 1 1 8  69 2  o 40.54263 17.00286 6.807660   23.25950 6.807660   23.25950 ?          ?        40.54263 17.00286 ?        ?        ?         ?        
1 1 1 8  69 3  f 46.07858 18.39764 15.88454   25.52872 15.88454   25.52872 ?          ?        46.07858 18.39764 ?        ?        ?         ?        
1 1 1 9  0  1  o 900.1299 21.51876 8134.019   386.9020 8134.019   386.9020 8134.019   386.9020 900.1299 21.51876 900.1299 21.51876 -0.000000 0.000000 
1 1 1 9  0  2  o 180.2421 4.886508 325.6331   17.58645 325.6331   17.58645 325.6331   17.58645 180.2421 4.886508 180.2421 4.886508 -0.000000 0.000000 
1 1 1 9  0  3  o 764.7889 15.92656 5873.309   243.3738 5873.309   243.3738 5873.309   243.3738 764.7889 15.92656 764.7889 15.92656 -0.000000 0.000000 
1 1 1 9  0  4  o 201.1074 7.071384 406.1903   28.36525 406.1903   28.36525 406.1903   28.36525 201.1074 7.071384 201.1074 7.071384 -0.000000 0.000000 
1 1 1 9  0  5  o 747.9245 15.60242 5623.127   233.1623 5623.127   233.1623 5623.127   233.1623 747.9245 15.60242 747.9245 15.60242 -0.000000 0.000000 
1 1 1 9  0  6  o 43.30781 12.12266 22.69220   9.076880 22.69220   9.076880 22.69220   9.076880 43.30781 12.12266 43.30781 12.12266 -0.000000 0.000000 
1 1 1 9  0  7  o 297.1951 7.934303 886.1303   47.08631 886.1303   47.08631 886.1303   47.08631 297.1951 7.934303 297.1951 7.934303 -0.000000 0.000000 
1 1 1 9  0  8  o 17.47564 11.67622 -2.836525  10.77879 -2.836525  10.77879 -2.836525  10.77879 17.47564 11.67622 17.47564 11.67622 -0.000000 0.000000 
1 1 1 9  0  9  o 31.02445 14.65893 14.18262   10.21149 14.18262   10.21149 14.18262   10.21149 31.02445 14.65893 31.02445 14.65893 -0.000000 0.000000 
1 1 1 9  0  10 o 314.8677 9.477981 995.0529   59.56702 995.0529   59.56702 995.0529   59.56702 314.8677 9.477981 314.8677 9.477981 -0.000000 0.000000 
1 1 1 9  0  11 o 68.06866 9.961127 48.22092   13.04801 48.22092   13.04801 48.22092   13.04801 68.06866 9.961127 68.06866 9.961127 -0.000000 0.000000 
1 1 1 9  0  12 o 334.7358 10.95713 1126.100   73.18234 1126.100   73.18234 1126.100   73.18234 334.7358 10.95713 334.7358 10.95713 -0.000000 0.000000 
1 1 1 9  0  13 o 679.1469 21.22095 4664.949   287.6236 4664.949   287.6236 4664.949   287.6236 679.1469 21.22095 679.1469 21.22095 -0.000000 0.000000 
1 1 1 9  0  14 o 438.3928 16.22416 1941.318   141.8262 1941.318   141.8262 1941.318   141.8262 438.3928 16.22416 438.3928 16.22416 -0.000000 0.000000 
1 1 1 9  0  15 o 166.5736 8.389242 280.2487   27.79794 280.2487   27.79794 280.2487   27.79794 166.5736 8.389242 166.5736 8.389242 -0.000000 0.000000 
1 1 1 9  0  16 o 237.3478 9.473976 569.0069   44.81709 569.0069   44.81709 569.0069   44.81709 237.3478 9.473976 237.3478 9.473976 -0.000000 0.000000 
1 1 1 9  0  17 o 25.78657 16.81688 0.000000   20.42298 0.000000   20.42298 0.000000   20.42298 25.78657 16.81688 25.78657 16.81688 -0.000000 0.000000 
1 1 1 9  0  18 o 73.76131 16.28951 62.97085   20.99029 62.97085   20.99029 62.97085   20.99029 73.76131 16.28951 73.76131 16.28951 -0.000000 0.000000 
1 1 1 9  0  19 f 74.28453 16.13393 64.10546   20.99029 64.10546   20.99029 64.10546   20.99029 74.28453 16.13393 74.28453 16.13393 -0.000000 0.000000 
1 1 1 9  1  0  o 102.8348 6.960614 107.2206   14.18262 107.2206   14.18262 107.2206   14.18262 102.8348 6.960614 102.8348 6.960614 -0.000000 0.000000 
1 1 1 9  1  1  o 614.3531 10.48080 3778.251   128.7782 3778.251   128.7782 ?          ?        614.3531 10.48080 ?        ?        ?         ?        
1 1 1 9  1  2  o 381.8172 6.388950 1458.541   48.78823 1458.541   48.78823 ?          ?        381.8172 6.388950 ?        ?        ?         ?        
1 1 1 9  1  3  o 574.6716 12.19169 3313.628   140.1243 3313.628   140.1243 ?          ?        574.6716 12.19169 ?        ?        ?         ?        
1 1 1 9  1  4  o 154.5196 3.487840 238.8354   10.77879 238.8354   10.77879 ?          ?        154.5196 3.487840 ?        ?        ?         ?        
1 1 1 9  1  5  o 539.4095 8.203375 2915.948   88.49958 2915.948   88.49958 ?          ?        539.4095 8.203375 ?        ?        ?         ?        
1 1 1 9  1  6  o 161.6854 3.508697 261.5276   11.34610 261.5276   11.34610 ?          ?        161.6854 3.508697 ?        ?        ?         ?        
1 1 1 9  1  7  o 310.6840 5.021465 966.1203   31.20177 966.1203   31.20177 ?          ?        310.6840 5.021465 ?        ?        ?         ?        
1 1 1 9  1  8  o 90.36252 4.080765 81.69191   7.374964 81.69191   7.374964 ?          ?        90.36252 4.080765 ?        ?        ?         ?        
1 1 1 9  1  9  o 330.4856 6.952149 1093.197   45.95170 1093.197   45.95170 ?          ?        330.4856 6.952149 ?        ?        ?         ?        
1 1 1 9  1  10 o 454.2686 9.803329 2067.827   89.06688 2067.827   89.06688 ?          ?        454.2686 9.803329 ?        ?        ?         ?        
1 1 1 9  1  11 o 314.4415 7.216668 989.9472   45.38440 989.9472   45.38440 ?          ?        314.4415 7.216668 ?        ?        ?         ?        
1 1 1 9  1  12 o 146.7733 4.831471 215.5759   14.18262 215.5759   14.18262 ?          ?        146.7733 4.831471 ?        ?        ?         ?        
1 1 1 9  1  13 o 184.5101 6.303042 340.9503   23.25950 340.9503   23.25950 ?          ?        184.5101 6.303042 ?        ?        ?         ?        
1 1 1 9  1  14 o 276.4069 8.312331 766.4290   45.95170 766.4290   45.95170 ?          ?        276.4069 8.312331 ?        ?        ?         ?        
1 1 1 9  1  15 o 230.4342 6.770212 532.6994   31.20177 532.6994   31.20177 ?          ?        230.4342 6.770212 ?        ?        ?         ?        
1 1 1 9  1  16 o 242.2801 6.556271 589.9972   31.76908 589.9972   31.76908 ?          ?        242.2801 6.556271 ?        ?        ?         ?        
1 1 1 9  1  17 o 163.1503 6.085089 267.7679   19.85567 267.7679   19.85567 ?          ?        163.1503 6.085089 ?        ?        ?         ?        
1 1 1 9  1  18 o 143.3600 6.727248 207.6336   19.28837 207.6336   19.28837 ?          ?        143.3600 6.727248 ?        ?        ?         ?        
1 1 1 9  1  19 o 155.1296 6.582556 243.9411   20.42298 243.9411   20.42298 ?          ?        155.1296 6.582556 ?        ?        ?         ?        
1 1 1 9  2  0  o 498.5732 12.41973 2492.170   123.6725 2492.170   123.6725 2492.170   123.6725 498.5732 12.41973 498.5732 12.41973 -0.000000 0.000000 
1 1 1 9  2  1  o 903.9210 16.63152 8192.451   300.6716 8192.451   300.6716 ?          ?        903.9210 16.63152 ?        ?        ?         ?        
1 1 1 9  2  2  o 198.8277 4.279874 395.4115   17.01915 395.4115   17.01915 ?          ?        198.8277 4.279874 ?        ?        ?         ?        
1 1 1 9  2  3  o 243.1960 4.315508 591.6991   20.99029 591.6991   20.99029 ?          ?        243.1960 4.315508 ?        ?        ?         ?        
1 1 1 9  2  4  o 135.3420 3.772476 183.2395   10.21149 183.2395   10.21149 ?          ?        135.3420 3.772476 ?        ?        ?         ?        
1 1 1 9  2  5  o 475.2538 7.162131 2262.412   68.07660 2262.412   68.07660 ?          ?        475.2538 7.162131 ?        ?        ?         ?        
1 1 1 9  2  6  o 225.8989 4.018116 510.5745   18.15376 510.5745   18.15376 ?          ?        225.8989 4.018116 ?        ?        ?         ?        
1 1 1 9  2  7  f 23.31323 9.421272 2.269220   6.807660 2.269220   6.807660 ?          ?        23.31323 9.421272 ?        ?        ?         ?        
1 1 1 9  2  8  o 204.9870 3.874524 420.3730   15.88454 420.3730   15.88454 ?          ?        204.9870 3.874524 ?        ?        ?         ?        
1 1 1 9  2  9  o 288.9579 6.576985 835.6403   38.00943 835.6403   38.00943 ?          ?        288.9579 6.576985 ?        ?        ?         ?        
1 1 1 9  2  10 o 238.5743 5.706951 569.5742   27.23064 569.5742   27.23064 ?          ?        238.5743 5.706951 ?        ?        ?         ?        
1 1 1 9  2  11 o 507.8233 11.89744 2587.478   120.8360 2587.478   120.8360 ?          ?        507.8233 11.89744 ?        ?        ?         ?        
1 1 1 9  2  12 o 107.5283 5.539662 115.7302   11.91340 115.7302   11.91340 ?          ?        107.5283 5.539662 ?        ?        ?         ?        
1 1 1 9  2  13 o 546.4385 12.82160 3004.447   140.1243 3004.447   140.1243 ?          ?        546.4385 12.82160 ?        ?        ?         ?        
1 1 1 9  2  14 o 456.8451 10.92774 2098.461   99.84568 2098.461   99.84568 ?          ?        456.8451 10.92774 ?        ?        ?         ?        
1 1 1 9  2  15 o 533.1535 13.88593 2880.774   148.0666 2880.774   148.0666 ?          ?        533.1535 13.88593 ?        ?        ?         ?        
1 1 1 9  2  16 o 319.2117 7.730845 1026.255   49.35553 1026.255   49.35553 ?          ?        319.2117 7.730845 ?        ?        ?         ?        
1 1 1 9  2  17 o 159.8114 6.212222 256.9891   19.85567 256.9891   19.85567 ?          ?        159.8114 6.212222 ?        ?        ?         ?        
1 1 1 9  2  18 o 148.4539 6.305346 222.3835   18.72106 222.3835   18.72106 ?          ?        148.4539 6.305346 ?        ?        ?         ?        
1 1 1 9  2  19 o 102.3717 7.481182 106.6533   15.31723 106.6533   15.31723 ?          ?        102.3717 7.481182 ?        ?        ?         ?        
1 1 1 9  3  0  o 85.23141 6.051828 73.74965   10.21149 73.74965   10.21149 73.74965   10.21149 85.23141 6.051828 85.23141 6.051828 -0.000000 0.000000 
1 1 1 9  3  1  o 1320.464 20.38574 17507.03   538.3724 17507.03   538.3724 ?          ?        1320.464 20.38574 ?        ?        ?         ?        
1 1 1 9  3  2  o 359.2472 6.079724 1291.186   43.68248 1291.186   43.68248 ?          ?        359.2472 6.079724 ?        ?        ?         ?        
1 1 1 9  3  3  o 342.9549 5.872296 1177.158   40.27865 1177.158   40.27865 ?          ?        342.9549 5.872296 ?        ?        ?         ?        
1 1 1 9  3  4  o 216.4196 4.325177 468.5939   18.72106 468.5939   18.72106 ?          ?        216.4196 4.325177 ?        ?        ?         ?        
1 1 1 9  3  5  o 469.2652 7.616209 2206.249   71.48043 2206.249   71.48043 ?          ?        469.2652 7.616209 ?        ?        ?         ?        
1 1 1 9  3  6  o 146.6025 3.482713 215.0086   10.21149 215.0086   10.21149 ?          ?        146.6025 3.482713 ?        ?        ?         ?        
1 1 1 9  3  7  o 464.6748 7.019971 2163.134   65.24007 2163.134   65.24007 ?          ?        464.6748 7.019971 ?        ?        ?         ?        
1 1 1 9  3  8  o 192.4343 3.685055 370.4502   14.18262 370.4502   14.18262 ?          ?        192.4343 3.685055 ?        ?        ?         ?        
1 1 1 9  3  9  o 163.4319 4.512561 267.2006   14.74993 267.2006   14.74993 ?          ?        163.4319 4.512561 ?        ?        ?         ?        
1 1 1 9  3  10 o 506.9615 10.91054 2576.699   110.6245 2576.699   110.6245 ?          ?        506.9615 10.91054 ?        ?        ?         ?        
1 1 1 9  3  11 o 940.3878 25.94049 8984.977   487.8823 8984.977   487.8823 ?          ?        940.3878 25.94049 ?        ?        ?         ?        
1 1 1 9  3  12 o 264.9510 6.530567 702.8909   34.60560 702.8909   34.60560 ?          ?        264.9510 6.530567 ?        ?        ?         ?        
1 1 1 9  3  13 o 323.0864 9.306231 1047.245   60.13433 1047.245   60.13433 ?          ?        323.0864 9.306231 ?        ?        ?         ?        
1 1 1 9  3  14 o 195.6666 6.088624 383.4982   23.82681 383.4982   23.82681 ?          ?        195.6666 6.088624 ?        ?        ?         ?        
1 1 1 9  3  15 o 451.8608 10.92273 2058.750   98.71106 2058.750   98.71106 ?          ?        451.8608 10.92273 ?        ?        ?         ?        
1 1 1 9  3  16 f 166.8159 6.461490 279.6813   21.55759 279.6813   21.55759 ?          ?        166.8159 6.461490 ?        ?        ?         ?        
1 1 1 9  3  17 o 192.2562 6.491707 372.1520   24.96142 372.1520   24.96142 ?          ?        192.2562 6.491707 ?        ?        ?         ?        
1 1 1 9  3  18 o 162.0294 6.302243 264.9314   20.42298 264.9314   20.42298 ?          ?        162.0294 6.302243 ?        ?        ?         ?        
1 1 1 9  3  19 o 52.31359 13.86964 30.06716   14.74993 30.06716   14.74993 ?          ?        52.31359 13.86964 ?        ?        ?         ?        
1 1 1 9  4  0  o 167.5490 4.578534 281.3832   15.31723 281.3832   15.31723 281.3832   15.31723 167.5490 4.578534 167.5490 4.578534 -0.000000 0.000000 
1 1 1 9  4  1  o 280.5793 4.650383 787.4193   26.09603 787.4193   26.09603 ?          ?        280.5793 4.650383 ?        ?        ?         ?        
1 1 1 9  4  2  o 368.6667 6.078267 1359.830   44.81709 1359.830   44.81709 ?          ?        368.6667 6.078267 ?        ?        ?         ?        
1 1 1 9  4  3  o 770.9810 12.06748 5965.779   186.0760 5965.779   186.0760 ?          ?        770.9810 12.06748 ?        ?        ?         ?        
1 1 1 9  4  4  o 87.81101 4.845392 77.15348   8.509575 77.15348   8.509575 ?          ?        87.81101 4.845392 ?        ?        ?         ?        
1 1 1 9  4  5  o 194.4739 3.938120 378.3924   15.31723 378.3924   15.31723 ?          ?        194.4739 3.938120 ?        ?        ?         ?        
1 1 1 9  4  6  o 307.1979 5.263119 944.5627   32.33638 944.5627   32.33638 ?          ?        307.1979 5.263119 ?        ?        ?         ?        
1 1 1 9  4  7  o 565.6487 8.976207 3209.244   101.5476 3209.244   101.5476 ?          ?        565.6487 8.976207 ?        ?        ?         ?        
1 1 1 9  4  8  o 233.1319 5.961848 544.0455   27.79794 544.0455   27.79794 ?          ?        233.1319 5.961848 ?        ?        ?         ?        
1 1 1 9  4  9  o 264.1728 6.120310 698.3524   32.33638 698.3524   32.33638 ?          ?        264.1728 6.120310 ?        ?        ?         ?        
1 1 1 9  4  10 o 334.7172 7.033747 1121.562   47.08631 1121.562   47.08631 ?          ?        334.7172 7.033747 ?        ?        ?         ?        
1 1 1 9  4  11 o 160.0700 5.670569 256.4218   18.15376 256.4218   18.15376 ?          ?        160.0700 5.670569 ?        ?        ?         ?        
1 1 1 9  4  12 o 309.5762 7.238460 959.8799   44.81709 959.8799   44.81709 ?          ?        309.5762 7.238460 ?        ?        ?         ?        
1 1 1 9  4  13 o 226.3920 6.765801 513.4110   30.63447 513.4110   30.63447 ?          ?        226.3920 6.765801 ?        ?        ?         ?        
1 1 1 9  4  14 o 155.6883 6.194545 242.8065   19.28837 242.8065   19.28837 ?          ?        155.6883 6.194545 ?        ?        ?         ?        
1 1 1 9  4  15 o 266.6375 8.829652 714.8043   47.08631 714.8043   47.08631 ?          ?        266.6375 8.829652 ?        ?        ?         ?        
1 1 1 9  4  16 o 89.63947 8.860237 81.12460   15.88454 81.12460   15.88454 ?          ?        89.63947 8.860237 ?        ?        ?         ?        
1 1 1 9  4  17 o 120.1534 7.790487 145.7974   18.72106 145.7974   18.72106 ?          ?        120.1534 7.790487 ?        ?        ?         ?        
1 1 1 9  4  18 o 91.61078 7.740697 85.09574   14.18262 85.09574   14.18262 ?          ?        91.61078 7.740697 ?        ?        ?         ?        
1 1 1 9  4  19 o 323.7243 10.25173 1082.985   66.37468 1082.985   66.37468 ?          ?        323.7243 10.25173 ?        ?        ?         ?        
1 1 1 9  5  0  o 189.4323 5.099276 359.6714   19.28837 359.6714   19.28837 359.6714   19.28837 189.4323 5.099276 189.4323 5.099276 -0.000000 0.000000 
1 1 1 9  5  1  o 1132.565 16.40457 12863.64   371.5847 12863.64   371.5847 ?          ?        1132.565 16.40457 ?        ?        ?         ?        
1 1 1 9  5  2  o 538.5743 8.110763 2903.467   87.36497 2903.467   87.36497 ?          ?        538.5743 8.110763 ?        ?        ?         ?        
1 1 1 9  5  3  o 896.2250 13.98917 8072.750   250.7488 8072.750   250.7488 ?          ?        896.2250 13.98917 ?        ?        ?         ?        
1 1 1 9  5  4  o 151.9271 3.547358 230.8931   10.77879 230.8931   10.77879 ?          ?        151.9271 3.547358 ?        ?        ?         ?        
1 1 1 9  5  5  o 542.2158 8.631741 2947.149   93.60532 2947.149   93.60532 ?          ?        542.2158 8.631741 ?        ?        ?         ?        
1 1 1 9  5  6  o 219.4058 4.007745 481.6419   17.58645 481.6419   17.58645 ?          ?        219.4058 4.007745 ?        ?        ?         ?        
1 1 1 9  5  7  o 488.0804 8.543041 2388.921   83.39383 2388.921   83.39383 ?          ?        488.0804 8.543041 ?        ?        ?         ?        
1 1 1 9  5  8  f 257.7830 7.042265 665.4487   36.30752 665.4487   36.30752 ?          ?        257.7830 7.042265 ?        ?        ?         ?        
1 1 1 9  5  9  o 203.0347 5.169138 412.4307   20.99029 412.4307   20.99029 ?          ?        203.0347 5.169138 ?        ?        ?         ?        
1 1 1 9  5  10 o 219.5251 5.297688 482.2092   23.25950 482.2092   23.25950 ?          ?        219.5251 5.297688 ?        ?        ?         ?        
1 1 1 9  5  11 o 438.1966 12.23431 1927.135   107.2206 1927.135   107.2206 ?          ?        438.1966 12.23431 ?        ?        ?         ?        
1 1 1 9  5  12 o 480.2928 10.63048 2314.604   102.1149 2314.604   102.1149 ?          ?        480.2928 10.63048 ?        ?        ?         ?        
1 1 1 9  5  13 o 912.8289 21.31677 8473.267   389.1712 8473.267   389.1712 ?          ?        912.8289 21.31677 ?        ?        ?         ?        
1 1 1 9  5  14 o 278.4611 7.232366 777.2078   40.27865 777.2078   40.27865 ?          ?        278.4611 7.232366 ?        ?        ?         ?        
1 1 1 9  5  15 o 235.2971 6.750843 555.3916   31.76908 555.3916   31.76908 ?          ?        235.2971 6.750843 ?        ?        ?         ?        
1 1 1 9  5  16 o 84.84847 8.357618 72.61504   14.18262 72.61504   14.18262 ?          ?        84.84847 8.357618 ?        ?        ?         ?        
1 1 1 9  5  17 o 182.8391 6.205511 336.4118   22.69220 336.4118   22.69220 ?          ?        182.8391 6.205511 ?        ?        ?         ?        
1 1 1 9  5  18 o 68.84850 12.40021 50.49014   16.45185 50.49014   16.45185 ?          ?        68.84850 12.40021 ?        ?        ?         ?        
1 1 1 9  5  19 o 180.8296 6.431331 331.3061   23.25950 331.3061   23.25950 ?          ?        180.8296 6.431331 ?        ?        ?         ?        
1 1 1 9  6  0  o 51.24176 9.899683 28.93255   9.076880 28.93255   9.076880 28.93255   9.076880 51.24176 9.899683 51.24176 9.899683 -0.000000 0.000000 
1 1 1 9  6  1  o 767.0421 11.20495 5892.029   171.8934 5892.029   171.8934 ?          ?        767.0421 11.20495 ?        ?        ?         ?        
1 1 1 9  6  2  o 378.1420 5.850949 1430.743   44.24979 1430.743   44.24979 ?          ?        378.1420 5.850949 ?        ?        ?         ?        
1 1 1 9  6  3  o 296.6364 4.781148 880.4573   28.36525 880.4573   28.36525 ?          ?        296.6364 4.781148 ?        ?        ?         ?        
1 1 1 9  6  4  o 147.9508 3.834416 218.9797   11.34610 218.9797   11.34610 ?          ?        147.9508 3.834416 ?        ?        ?         ?        
1 1 1 9  6  5  o 196.6563 3.605942 386.9020   14.18262 386.9020   14.18262 ?          ?        196.6563 3.605942 ?        ?        ?         ?        
1 1 1 9  6  6  o 189.9058 3.734120 360.8060   14.18262 360.8060   14.18262 ?          ?        189.9058 3.734120 ?        ?        ?         ?        
1 1 1 9  6  7  o 78.23434 5.075948 61.26894   7.942269 61.26894   7.942269 ?          ?        78.23434 5.075948 ?        ?        ?         ?        
1 1 1 9  6  8  o 95.53921 4.750343 91.33610   9.076880 91.33610   9.076880 ?          ?        95.53921 4.750343 ?        ?        ?         ?        
1 1 1 9  6  9  o 343.5088 9.000678 1181.696   61.83624 1181.696   61.83624 ?          ?        343.5088 9.000678 ?        ?        ?         ?        
1 1 1 9  6  10 o 180.8768 4.861444 327.3350   17.58645 327.3350   17.58645 ?          ?        180.8768 4.861444 ?        ?        ?         ?        
1 1 1 9  6  11 o 805.1765 22.12357 6560.882   356.2675 6560.882   356.2675 ?          ?        805.1765 22.12357 ?        ?        ?         ?        
1 1 1 9  6  12 o 546.9998 15.09011 3012.389   165.0858 3012.389   165.0858 ?          ?        546.9998 15.09011 ?        ?        ?         ?        
1 1 1 9  6  13 o 364.9581 9.093465 1336.003   66.37468 1336.003   66.37468 ?          ?        364.9581 9.093465 ?        ?        ?         ?        
1 1 1 9  6  14 o 268.9573 7.171535 725.0157   38.57674 725.0157   38.57674 ?          ?        268.9573 7.171535 ?        ?        ?         ?        
1 1 1 9  6  15 o 338.5605 10.22139 1154.466   69.21120 1154.466   69.21120 ?          ?        338.5605 10.22139 ?        ?        ?         ?        
1 1 1 9  6  16 o 209.2534 7.319946 440.7959   30.63447 440.7959   30.63447 ?          ?        209.2534 7.319946 ?        ?        ?         ?        
1 1 1 9  6  17 o 124.4870 6.380000 156.0089   15.88454 156.0089   15.88454 ?          ?        124.4870 6.380000 ?        ?        ?         ?        
1 1 1 9  6  18 o 119.9171 6.386592 145.2301   15.31723 145.2301   15.31723 ?          ?        119.9171 6.386592 ?        ?        ?         ?        
1 1 1 9  6  19 o 93.82274 7.558202 89.63419   14.18262 89.63419   14.18262 ?          ?        93.82274 7.558202 ?        ?        ?         ?        
1 1 1 9  7  0  o 320.7719 7.170645 1030.793   45.95170 1030.793   45.95170 1030.793   45.95170 320.7719 7.170645 320.7719 7.170645 -0.000000 0.000000 
1 1 1 9  7  1  o 603.1329 9.029732 3641.531   108.9226 3641.531   108.9226 ?          ?        603.1329 9.029732 ?        ?        ?         ?        
1 1 1 9  7  2  o 262.6002 4.320674 689.8428   22.69220 689.8428   22.69220 ?          ?        262.6002 4.320674 ?        ?        ?         ?        
1 1 1 9  7  3  o 634.2726 9.480834 4032.404   120.2687 4032.404   120.2687 ?          ?        634.2726 9.480834 ?        ?        ?         ?        
1 1 1 9  7  4  o 104.8843 4.056648 110.0572   8.509575 110.0572   8.509575 ?          ?        104.8843 4.056648 ?        ?        ?         ?        
1 1 1 9  7  5  o 367.5333 6.097011 1352.455   44.81709 1352.455   44.81709 ?          ?        367.5333 6.097011 ?        ?        ?         ?        
1 1 1 9  7  6  o 82.82502 4.452136 68.64390   7.374964 68.64390   7.374964 ?          ?        82.82502 4.452136 ?        ?        ?         ?        
1 1 1 9  7  7  o 392.6212 6.502125 1544.204   51.05745 1544.204   51.05745 ?          ?        392.6212 6.502125 ?        ?        ?         ?        
1 1 1 9  7  8  f 161.6767 4.210662 261.5276   13.61532 261.5276   13.61532 ?          ?        161.6767 4.210662 ?        ?        ?         ?        
1 1 1 9  7  9  o 751.5160 19.02299 5683.829   285.9217 5683.829   285.9217 ?          ?        751.5160 19.02299 ?        ?        ?         ?        
1 1 1 9  7  10 o 158.6511 5.721283 251.8834   18.15376 251.8834   18.15376 ?          ?        158.6511 5.721283 ?        ?        ?         ?        
1 1 1 9  7  11 o 364.8038 9.408332 1333.734   68.64390 1333.734   68.64390 ?          ?        364.8038 9.408332 ?        ?        ?         ?        
1 1 1 9  7  12 o 543.5555 16.85564 2979.486   183.2395 2979.486   183.2395 ?          ?        543.5555 16.85564 ?        ?        ?         ?        
1 1 1 9  7  13 o 271.6394 6.996303 739.1984   38.00943 739.1984   38.00943 ?          ?        271.6394 6.996303 ?        ?        ?         ?        
1 1 1 9  7  14 o 338.9843 8.535071 1152.764   57.86510 1152.764   57.86510 ?          ?        338.9843 8.535071 ?        ?        ?         ?        
1 1 1 9  7  15 o 229.5786 6.795445 528.7282   31.20177 528.7282   31.20177 ?          ?        229.5786 6.795445 ?        ?        ?         ?        
1 1 1 9  7  16 o 329.6606 8.260203 1096.033   54.46128 1096.033   54.46128 ?          ?        329.6606 8.260203 ?        ?        ?         ?        
1 1 1 9  7  17 o 329.7377 9.806698 1104.543   64.67276 1104.543   64.67276 ?          ?        329.7377 9.806698 ?        ?        ?         ?        
1 1 1 9  7  18 o 34.89729 12.62431 10.77879   11.34610 10.77879   11.34610 ?          ?        34.89729 12.62431 ?        ?        ?         ?        
1 1 1 9  7  19 o 87.22806 11.70666 79.42269   20.42298 79.42269   20.42298 ?          ?        87.22806 11.70666 ?        ?        ?         ?        
1 1 1 9  8  0  o 84.20779 6.128208 72.04772   10.21149 72.04772   10.21149 72.04772   10.21149 84.20779 6.128208 84.20779 6.128208 -0.000000 0.000000 
1 1 1 9  8  1  o 420.3790 6.410165 1768.290   53.89397 1768.290   53.89397 ?          ?        420.3790 6.410165 ?        ?        ?         ?        
1 1 1 9  8  2  o 305.5869 4.919578 934.3513   30.06716 934.3513   30.06716 ?          ?        305.5869 4.919578 ?        ?        ?         ?        
1 1 1 9  8  3  o 239.1927 4.387735 572.4106   20.99029 572.4106   20.99029 ?          ?        239.1927 4.387735 ?        ?        ?         ?        
1 1 1 9  8  4  o 174.8354 3.407033 305.7773   11.91340 305.7773   11.91340 ?          ?        174.8354 3.407033 ?        ?        ?         ?        
1 1 1 9  8  5  o 370.9784 6.193313 1377.984   45.95170 1377.984   45.95170 ?          ?        370.9784 6.193313 ?        ?        ?         ?        
1 1 1 9  8  6  o 102.4209 3.877269 104.9514   7.942269 104.9514   7.942269 ?          ?        102.4209 3.877269 ?        ?        ?         ?        
1 1 1 9  8  7  o 229.2470 3.959431 525.8917   18.15376 525.8917   18.15376 ?          ?        229.2470 3.959431 ?        ?        ?         ?        
1 1 1 9  8  8  o 232.7015 7.313725 542.3435   34.03830 542.3435   34.03830 ?          ?        232.7015 7.313725 ?        ?        ?         ?        
1 1 1 9  8  9  o 539.6320 11.56409 2918.784   124.8071 2918.784   124.8071 ?          ?        539.6320 11.56409 ?        ?        ?         ?        
1 1 1 9  8  10 o 455.4232 10.58816 2079.173   96.44185 2079.173   96.44185 ?          ?        455.4232 10.58816 ?        ?        ?         ?        
1 1 1 9  8  11 o 588.4446 18.17282 3491.195   213.8740 3491.195   213.8740 ?          ?        588.4446 18.17282 ?        ?        ?         ?        
1 1 1 9  8  12 o 862.9109 23.93052 7572.954   412.9980 7572.954   412.9980 ?          ?        862.9109 23.93052 ?        ?        ?         ?        
1 1 1 9  8  13 o 529.7550 13.60020 2825.179   144.0954 2825.179   144.0954 ?          ?        529.7550 13.60020 ?        ?        ?         ?        
1 1 1 9  8  14 o 225.4784 6.793215 509.4399   30.63447 509.4399   30.63447 ?          ?        225.4784 6.793215 ?        ?        ?         ?        
1 1 1 9  8  15 o 332.0492 8.457059 1107.947   56.16319 1107.947   56.16319 ?          ?        332.0492 8.457059 ?        ?        ?         ?        
1 1 1 9  8  16 o 49.68441 13.39545 26.09603   13.61532 26.09603   13.61532 ?          ?        49.68441 13.39545 ?        ?        ?         ?        
1 1 1 9  8  17 o 94.21204 13.24747 91.33610   24.96142 91.33610   24.96142 ?          ?        94.21204 13.24747 ?        ?        ?         ?        
1 1 1 9  8  18 o 229.4975 8.775402 537.2378   40.27865 537.2378   40.27865 ?          ?        229.4975 8.775402 ?        ?        ?         ?        
1 1 1 9  8  19 o 135.1542 9.864042 188.3452   26.66333 188.3452   26.66333 ?          ?        135.1542 9.864042 ?        ?        ?         ?        
1 1 1 9  9  0  o 86.30396 5.636512 75.45156   9.644185 75.45156   9.644185 75.45156   9.644185 86.30396 5.636512 86.30396 5.636512 -0.000000 0.000000 
1 1 1 9  9  1  o 621.1631 9.178612 3864.481   114.0283 3864.481   114.0283 ?          ?        621.1631 9.178612 ?        ?        ?         ?        
1 1 1 9  9  2  o 324.4613 5.245356 1053.485   34.03830 1053.485   34.03830 ?          ?        324.4613 5.245356 ?        ?        ?         ?        
1 1 1 9  9  3  o 122.3563 3.941025 149.7685   9.644185 149.7685   9.644185 ?          ?        122.3563 3.941025 ?        ?        ?         ?        
1 1 1 9  9  4  o 148.9082 3.428787 221.8162   10.21149 221.8162   10.21149 ?          ?        148.9082 3.428787 ?        ?        ?         ?        
1 1 1 9  9  5  o 448.2448 7.340563 2012.798   65.80738 2012.798   65.80738 ?          ?        448.2448 7.340563 ?        ?        ?         ?        
1 1 1 9  9  6  o 89.71661 5.058640 80.55730   9.076880 80.55730   9.076880 ?          ?        89.71661 5.058640 ?        ?        ?         ?        
1 1 1 9  9  7  o 267.1337 4.565900 714.2369   24.39412 714.2369   24.39412 ?          ?        267.1337 4.565900 ?        ?        ?         ?        
1 1 1 9  9  8  o 364.7567 7.465425 1332.599   54.46128 1332.599   54.46128 ?          ?        364.7567 7.465425 ?        ?        ?         ?        
1 1 1 9  9  9  o 370.4950 7.579481 1374.013   56.16319 1374.013   56.16319 ?          ?        370.4950 7.579481 ?        ?        ?         ?        
1 1 1 9  9  10 o 362.1504 7.989099 1313.311   57.86510 1313.311   57.86510 ?          ?        362.1504 7.989099 ?        ?        ?         ?        
1 1 1 9  9  11 o 770.3967 17.89404 5982.798   275.7102 5982.798   275.7102 ?          ?        770.3967 17.89404 ?        ?        ?         ?        
1 1 1 9  9  12 o 587.0502 12.90098 3463.397   151.4704 3463.397   151.4704 ?          ?        587.0502 12.90098 ?        ?        ?         ?        
1 1 1 9  9  13 o 432.2488 10.30273 1875.510   89.06688 1875.510   89.06688 ?          ?        432.2488 10.30273 ?        ?        ?         ?        
1 1 1 9  9  14 o 113.1213 6.519521 128.2109   14.74993 128.2109   14.74993 ?          ?        113.1213 6.519521 ?        ?        ?         ?        
1 1 1 9  9  15 o 349.8596 10.53989 1233.321   73.74965 1233.321   73.74965 ?          ?        349.8596 10.53989 ?        ?        ?         ?        
1 1 1 9  9  16 o 63.05101 17.42572 42.54787   22.69220 42.54787   22.69220 ?          ?        63.05101 17.42572 ?        ?        ?         ?        
1 1 1 9  9  17 o 117.1780 11.13521 140.1243   26.09603 140.1243   26.09603 ?          ?        117.1780 11.13521 ?        ?        ?         ?        
1 1 1 9  9  18 o 190.2914 8.645607 369.3155   32.90369 369.3155   32.90369 ?          ?        190.2914 8.645607 ?        ?        ?         ?        
1 1 1 9  9  19 o 171.0563 8.622849 299.5370   29.49986 299.5370   29.49986 ?          ?        171.0563 8.622849 ?        ?        ?         ?        
1 1 1 9  10 0  o 240.1840 5.794289 578.0837   27.79794 578.0837   27.79794 578.0837   27.79794 240.1840 5.794289 240.1840 5.794289 -0.000000 0.000000 
1 1 1 9  10 1  o 453.0529 6.887004 2054.779   62.40355 2054.779   62.40355 ?          ?        453.0529 6.887004 ?        ?        ?         ?        
1 1 1 9  10 2  f 236.4540 4.198634 559.3627   19.85567 559.3627   19.85567 ?          ?        236.4540 4.198634 ?        ?        ?         ?        
1 1 1 9  10 3  o 367.0450 6.105122 1348.484   44.81709 1348.484   44.81709 ?          ?        367.0450 6.105122 ?        ?        ?         ?        
1 1 1 9  10 4  f 329.9807 5.157620 1089.793   34.03830 1089.793   34.03830 ?          ?        329.9807 5.157620 ?        ?        ?         ?        
1 1 1 9  10 5  o 518.7384 7.874095 2696.400   81.69191 2696.400   81.69191 ?          ?        518.7384 7.874095 ?        ?        ?         ?        
1 1 1 9  10 6  o 335.9901 5.656333 1130.072   38.00943 1130.072   38.00943 ?          ?        335.9901 5.656333 ?        ?        ?         ?        
1 1 1 9  10 7  o 595.4019 10.14743 3559.839   120.8360 3559.839   120.8360 ?          ?        595.4019 10.14743 ?        ?        ?         ?        
1 1 1 9  10 8  o 78.24719 5.075115 61.26894   7.942269 61.26894   7.942269 ?          ?        78.24719 5.075115 ?        ?        ?         ?        
1 1 1 9  10 9  o 173.6971 4.409179 301.8062   15.31723 301.8062   15.31723 ?          ?        173.6971 4.409179 ?        ?        ?         ?        
1 1 1 9  10 10 o 179.7817 4.733283 323.3638   17.01915 323.3638   17.01915 ?          ?        179.7817 4.733283 ?        ?        ?         ?        
1 1 1 9  10 11 o 329.2792 7.580625 1085.822   49.92284 1085.822   49.92284 ?          ?        329.2792 7.580625 ?        ?        ?         ?        
1 1 1 9  10 12 f 557.0715 14.10443 3121.879   157.1435 3121.879   157.1435 ?          ?        557.0715 14.10443 ?        ?        ?         ?        
1 1 1 9  10 13 o 366.4755 8.823614 1346.782   64.67276 1346.782   64.67276 ?          ?        366.4755 8.823614 ?        ?        ?         ?        
1 1 1 9  10 14 o 248.4271 7.764197 618.9297   38.57674 618.9297   38.57674 ?          ?        248.4271 7.764197 ?        ?        ?         ?        
1 1 1 9  10 15 o 191.9826 8.569446 370.4502   32.90369 370.4502   32.90369 ?          ?        191.9826 8.569446 ?        ?        ?         ?        
1 1 1 9  10 16 o 281.2758 9.176890 799.3326   51.62476 799.3326   51.62476 ?          ?        281.2758 9.176890 ?        ?        ?         ?        
1 1 1 9  10 17 o 424.2041 12.57099 1846.578   106.6533 1846.578   106.6533 ?          ?        424.2041 12.57099 ?        ?        ?         ?        
1 1 1 9  10 18 f 194.7287 8.739927 386.9020   34.03830 386.9020   34.03830 ?          ?        194.7287 8.739927 ?        ?        ?         ?        
1 1 1 9  10 19 o 156.3389 9.797455 251.8834   30.63447 251.8834   30.63447 ?          ?        156.3389 9.797455 ?        ?        ?         ?        
1 1 1 9  11 0  f 40.52623 11.33594 19.85567   7.942269 19.85567   7.942269 19.85567   7.942269 40.52623 11.33594 40.52623 11.33594 -0.000000 0.000000 
1 1 1 9  11 1  o 801.9518 11.81367 6454.229   189.4799 6454.229   189.4799 ?          ?        801.9518 11.81367 ?        ?        ?         ?        
1 1 1 9  11 2  o 207.8789 3.684172 432.2864   15.31723 432.2864   15.31723 ?          ?        207.8789 3.684172 ?        ?        ?         ?        
1 1 1 9  11 3  o 340.4844 5.248436 1160.139   35.74022 1160.139   35.74022 ?          ?        340.4844 5.248436 ?        ?        ?         ?        
1 1 1 9  11 4  o 467.7520 7.095073 2191.499   66.37468 2191.499   66.37468 ?          ?        467.7520 7.095073 ?        ?        ?         ?        
1 1 1 9  11 5  o 353.7487 5.452563 1252.609   38.57674 1252.609   38.57674 ?          ?        353.7487 5.452563 ?        ?        ?         ?        
1 1 1 9  11 6  o 482.7965 7.755260 2335.595   74.88425 2335.595   74.88425 ?          ?        482.7965 7.755260 ?        ?        ?         ?        
1 1 1 9  11 7  o 569.8797 9.108660 3257.465   103.8168 3257.465   103.8168 ?          ?        569.8797 9.108660 ?        ?        ?         ?        
1 1 1 9  11 8  o 462.3286 9.939187 2142.711   91.90340 2142.711   91.90340 ?          ?        462.3286 9.939187 ?        ?        ?         ?        
1 1 1 9  11 9  o 240.7273 5.420248 579.7856   26.09603 579.7856   26.09603 ?          ?        240.7273 5.420248 ?        ?        ?         ?        
1 1 1 9  11 10 o 427.7679 9.217077 1832.962   78.85539 1832.962   78.85539 ?          ?        427.7679 9.217077 ?        ?        ?         ?        
1 1 1 9  11 11 o 280.3539 6.576478 786.8520   36.87482 786.8520   36.87482 ?          ?        280.3539 6.576478 ?        ?        ?         ?        
1 1 1 9  11 12 o 390.7722 10.01710 1531.723   78.28809 1531.723   78.28809 ?          ?        390.7722 10.01710 ?        ?        ?         ?        
1 1 1 9  11 13 o 216.8691 8.109248 471.4304   35.17290 471.4304   35.17290 ?          ?        216.8691 8.109248 ?        ?        ?         ?        
1 1 1 9  11 14 o 534.7417 15.17080 2892.688   162.2492 2892.688   162.2492 ?          ?        534.7417 15.17080 ?        ?        ?         ?        
1 1 1 9  11 15 o 146.7965 8.888506 216.7105   26.09603 216.7105   26.09603 ?          ?        146.7965 8.888506 ?        ?        ?         ?        
1 1 1 9  11 16 o 242.4930 8.656036 593.4010   41.98057 593.4010   41.98057 ?          ?        242.4930 8.656036 ?        ?        ?         ?        
1 1 1 9  11 17 o 258.5111 9.326663 677.9294   48.22092 677.9294   48.22092 ?          ?        258.5111 9.326663 ?        ?        ?         ?        
1 1 1 9  11 18 o 244.5729 9.858191 613.2567   48.22092 613.2567   48.22092 ?          ?        244.5729 9.858191 ?        ?        ?         ?        
1 1 1 9  11 19 o 228.4036 10.18351 538.9397   46.51900 538.9397   46.51900 ?          ?        228.4036 10.18351 ?        ?        ?         ?        
1 1 1 9  12 0  o 251.9905 6.312410 636.5162   31.76908 636.5162   31.76908 636.5162   31.76908 251.9905 6.312410 251.9905 6.312410 -0.000000 0.000000 
1 1 1 9  12 1  o 471.6216 7.157146 2227.239   67.50929 2227.239   67.50929 ?          ?        471.6216 7.157146 ?        ?        ?         ?        
1 1 1 9  12 2  o 409.7888 6.298947 1680.925   51.62476 1680.925   51.62476 ?          ?        409.7888 6.298947 ?        ?        ?         ?        
1 1 1 9  12 3  o 129.1207 3.734561 166.7877   9.644185 166.7877   9.644185 ?          ?        129.1207 3.734561 ?        ?        ?         ?        
1 1 1 9  12 4  o 391.4970 6.086077 1534.560   47.65361 1534.560   47.65361 ?          ?        391.4970 6.086077 ?        ?        ?         ?        
1 1 1 9  12 5  o 212.5765 4.136499 452.1420   17.58645 452.1420   17.58645 ?          ?        212.5765 4.136499 ?        ?        ?         ?        
1 1 1 9  12 6  o 167.7083 3.551824 281.3832   11.91340 281.3832   11.91340 ?          ?        167.7083 3.551824 ?        ?        ?         ?        
1 1 1 9  12 7  o 229.2502 4.454299 525.8917   20.42298 525.8917   20.42298 ?          ?        229.2502 4.454299 ?        ?        ?         ?        
1 1 1 9  12 8  o 637.0835 13.57970 4075.519   173.0280 4075.519   173.0280 ?          ?        637.0835 13.57970 ?        ?        ?         ?        
1 1 1 9  12 9  o 561.4879 14.24608 3163.860   159.9800 3163.860   159.9800 ?          ?        561.4879 14.24608 ?        ?        ?         ?        
1 1 1 9  12 10 o 615.5086 12.30449 3799.809   151.4704 3799.809   151.4704 ?          ?        615.5086 12.30449 ?        ?        ?         ?        
1 1 1 9  12 11 o 299.5544 7.385936 898.6110   44.24979 898.6110   44.24979 ?          ?        299.5544 7.385936 ?        ?        ?         ?        
1 1 1 9  12 12 o 300.4503 7.458320 904.2841   44.81709 904.2841   44.81709 ?          ?        300.4503 7.458320 ?        ?        ?         ?        
1 1 1 9  12 13 o 122.4211 9.268095 150.3358   22.69220 150.3358   22.69220 ?          ?        122.4211 9.268095 ?        ?        ?         ?        
1 1 1 9  12 14 o 482.8723 13.68706 2354.883   132.1821 2354.883   132.1821 ?          ?        482.8723 13.68706 ?        ?        ?         ?        
1 1 1 9  12 15 o 360.4069 9.995333 1308.773   72.04772 1308.773   72.04772 ?          ?        360.4069 9.995333 ?        ?        ?         ?        
1 1 1 9  12 16 o 195.9704 8.539807 387.4693   33.47099 387.4693   33.47099 ?          ?        195.9704 8.539807 ?        ?        ?         ?        
1 1 1 9  12 17 f 156.6054 8.875154 248.4796   27.79794 248.4796   27.79794 ?          ?        156.6054 8.875154 ?        ?        ?         ?        
1 1 1 9  12 18 o 148.2537 10.90576 226.3547   32.33638 226.3547   32.33638 ?          ?        148.2537 10.90576 ?        ?        ?         ?        
1 1 1 9  12 19 o 215.9239 10.11525 481.6419   43.68248 481.6419   43.68248 ?          ?        215.9239 10.11525 ?        ?        ?         ?        
1 1 1 9  13 0  o 388.8830 8.470018 1515.839   65.80738 1515.839   65.80738 1515.839   65.80738 388.8830 8.470018 388.8830 8.470018 -0.000000 0.000000 
1 1 1 9  13 1  o 538.2991 8.009521 2902.332   86.23035 2902.332   86.23035 ?          ?        538.2991 8.009521 ?        ?        ?         ?        
1 1 1 9  13 2  o 296.1602 4.788836 877.6207   28.36525 877.6207   28.36525 ?          ?        296.1602 4.788836 ?        ?        ?         ?        
1 1 1 9  13 3  o 98.46505 4.321114 97.00916   8.509575 97.00916   8.509575 ?          ?        98.46505 4.321114 ?        ?        ?         ?        
1 1 1 9  13 4  f 152.1101 3.356611 231.4604   10.21149 231.4604   10.21149 ?          ?        152.1101 3.356611 ?        ?        ?         ?        
1 1 1 9  13 5  o 494.3028 7.574735 2447.921   74.88425 2447.921   74.88425 ?          ?        494.3028 7.574735 ?        ?        ?         ?        
1 1 1 9  13 6  o 440.2512 7.731563 1942.452   68.07660 1942.452   68.07660 ?          ?        440.2512 7.731563 ?        ?        ?         ?        
1 1 1 9  13 7  o 350.3053 5.506160 1228.215   38.57674 1228.215   38.57674 ?          ?        350.3053 5.506160 ?        ?        ?         ?        
1 1 1 9  13 8  o 403.5378 8.786428 1631.002   70.91312 1631.002   70.91312 ?          ?        403.5378 8.786428 ?        ?        ?         ?        
1 1 1 9  13 9  o 529.5785 13.44405 2813.833   142.3935 2813.833   142.3935 ?          ?        529.5785 13.44405 ?        ?        ?         ?        
1 1 1 9  13 10 o 295.7485 6.234153 875.3516   36.87482 875.3516   36.87482 ?          ?        295.7485 6.234153 ?        ?        ?         ?        
1 1 1 9  13 11 o 242.6496 6.312491 589.4299   30.63447 589.4299   30.63447 ?          ?        242.6496 6.312491 ?        ?        ?         ?        
1 1 1 9  13 12 o 490.5431 11.50701 2416.719   112.8937 2416.719   112.8937 ?          ?        490.5431 11.50701 ?        ?        ?         ?        
1 1 1 9  13 13 o 443.3098 11.77327 1975.356   104.3841 1975.356   104.3841 ?          ?        443.3098 11.77327 ?        ?        ?         ?        
1 1 1 9  13 14 o 150.7210 8.468866 228.0566   25.52872 228.0566   25.52872 ?          ?        150.7210 8.468866 ?        ?        ?         ?        
1 1 1 9  13 15 o 487.5858 13.03117 2410.479   127.0763 2410.479   127.0763 ?          ?        487.5858 13.03117 ?        ?        ?         ?        
1 1 1 9  13 16 o 57.60799 17.85968 34.60560   22.69220 34.60560   22.69220 ?          ?        57.60799 17.85968 ?        ?        ?         ?        
1 1 1 9  13 17 o 120.2210 9.909585 146.9320   23.82681 146.9320   23.82681 ?          ?        120.2210 9.909585 ?        ?        ?         ?        
1 1 1 9  13 18 o 173.7517 20.07995 331.8734   69.77851 331.8734   69.77851 ?          ?        173.7517 20.07995 ?        ?        ?         ?        
1 1 1 9  13 19 o 254.7374 9.353480 667.7179   47.65361 667.7179   47.65361 ?          ?        254.7374 9.353480 ?        ?        ?         ?        
1 1 1 9  14 0  o 194.4084 5.407751 378.9597   20.99029 378.9597   20.99029 378.9597   20.99029 194.4084 5.407751 194.4084 5.407751 -0.000000 0.000000 
1 1 1 9  14 1  o 244.1232 4.299116 596.2375   20.99029 596.2375   20.99029 ?          ?        244.1232 4.299116 ?        ?        ?         ?        
1 1 1 9  14 2  o 498.8878 7.505120 2492.738   74.88425 2492.738   74.88425 ?          ?        498.8878 7.505120 ?        ?        ?         ?        
1 1 1 9  14 3  o 340.5308 5.414315 1160.706   36.87482 1160.706   36.87482 ?          ?        340.5308 5.414315 ?        ?        ?         ?        
1 1 1 9  14 4  o 369.0126 5.841965 1363.234   43.11518 1363.234   43.11518 ?          ?        369.0126 5.841965 ?        ?        ?         ?        
1 1 1 9  14 5  o 175.7929 3.872546 309.1812   13.61532 309.1812   13.61532 ?          ?        175.7929 3.872546 ?        ?        ?         ?        
1 1 1 9  14 6  o 348.7948 6.424565 1218.571   44.81709 1218.571   44.81709 ?          ?        348.7948 6.424565 ?        ?        ?         ?        
1 1 1 9  14 7  o 225.2794 4.029166 507.7379   18.15376 507.7379   18.15376 ?          ?        225.2794 4.029166 ?        ?        ?         ?        
1 1 1 9  14 8  o 1049.372 20.78661 11103.29   436.2575 11103.29   436.2575 ?          ?        1049.372 20.78661 ?        ?        ?         ?        
1 1 1 9  14 9  o 153.0328 4.819204 234.2970   14.74993 234.2970   14.74993 ?          ?        153.0328 4.819204 ?        ?        ?         ?        
1 1 1 9  14 10 o 607.8921 12.17869 3706.771   148.0666 3706.771   148.0666 ?          ?        607.8921 12.17869 ?        ?        ?         ?        
1 1 1 9  14 11 f 321.5997 7.408841 1035.899   47.65361 1035.899   47.65361 ?          ?        321.5997 7.408841 ?        ?        ?         ?        
1 1 1 9  14 12 o 131.4849 4.961791 173.0280   13.04801 173.0280   13.04801 ?          ?        131.4849 4.961791 ?        ?        ?         ?        
1 1 1 9  14 13 o 363.1233 9.842447 1323.522   71.48043 1323.522   71.48043 ?          ?        363.1233 9.842447 ?        ?        ?         ?        
1 1 1 9  14 14 f 164.3636 8.283658 271.1718   27.23064 271.1718   27.23064 ?          ?        164.3636 8.283658 ?        ?        ?         ?        
1 1 1 9  14 15 o 354.2008 10.01030 1265.657   70.91312 1265.657   70.91312 ?          ?        354.2008 10.01030 ?        ?        ?         ?        
1 1 1 9  14 16 o 165.6353 9.247569 277.4121   30.63447 277.4121   30.63447 ?          ?        165.6353 9.247569 ?        ?        ?         ?        
1 1 1 9  14 17 o 71.76285 23.04545 56.16319   37.44213 56.16319   37.44213 ?          ?        71.76285 23.04545 ?        ?        ?         ?        
1 1 1 9  14 18 o 92.59548 14.39775 90.20149   26.66333 90.20149   26.66333 ?          ?        92.59548 14.39775 ?        ?        ?         ?        
1 1 1 9  14 19 o 250.5048 9.737984 647.8623   48.78823 647.8623   48.78823 ?          ?        250.5048 9.737984 ?        ?        ?         ?        
1 1 1 9  15 0  o 946.4708 19.58877 9013.908   370.4502 9013.908   370.4502 9013.908   370.4502 946.4708 19.58877 946.4708 19.58877 -0.000000 0.000000 
1 1 1 9  15 1  o 166.6987 3.573335 277.9794   11.91340 277.9794   11.91340 ?          ?        166.6987 3.573335 ?        ?        ?         ?        
1 1 1 9  15 2  o 206.4968 3.983560 426.6133   16.45185 426.6133   16.45185 ?          ?        206.4968 3.983560 ?        ?        ?         ?        
1 1 1 9  15 3  o 277.4604 4.702658 770.4002   26.09603 770.4002   26.09603 ?          ?        277.4604 4.702658 ?        ?        ?         ?        
1 1 1 9  15 4  o 470.0984 7.119997 2213.624   66.94199 2213.624   66.94199 ?          ?        470.0984 7.119997 ?        ?        ?         ?        
1 1 1 9  15 5  o 246.1894 4.263037 606.4490   20.99029 606.4490   20.99029 ?          ?        246.1894 4.263037 ?        ?        ?         ?        
1 1 1 9  15 6  o 123.7230 3.897492 153.1723   9.644185 153.1723   9.644185 ?          ?        123.7230 3.897492 ?        ?        ?         ?        
1 1 1 9  15 7  o 248.2954 6.397436 617.2278   31.76908 617.2278   31.76908 ?          ?        248.2954 6.397436 ?        ?        ?         ?        
1 1 1 9  15 8  o 692.5605 15.89134 4818.689   220.1143 4818.689   220.1143 ?          ?        692.5605 15.89134 ?        ?        ?         ?        
1 1 1 9  15 9  o 109.8917 5.420520 120.8360   11.91340 120.8360   11.91340 ?          ?        109.8917 5.420520 ?        ?        ?         ?        
1 1 1 9  15 10 o 564.6981 15.52132 3205.840   175.2972 3205.840   175.2972 ?          ?        564.6981 15.52132 ?        ?        ?         ?        
1 1 1 9  15 11 o 251.5899 6.088176 633.6796   30.63447 633.6796   30.63447 ?          ?        251.5899 6.088176 ?        ?        ?         ?        
1 1 1 9  15 12 o 454.6985 11.60315 2077.471   105.5187 2077.471   105.5187 ?          ?        454.6985 11.60315 ?        ?        ?         ?        
1 1 1 9  15 13 f 314.9252 9.727537 995.6202   61.26894 995.6202   61.26894 ?          ?        314.9252 9.727537 ?        ?        ?         ?        
1 1 1 9  15 14 o 145.5437 8.770122 212.7394   25.52872 212.7394   25.52872 ?          ?        145.5437 8.770122 ?        ?        ?         ?        
1 1 1 9  15 15 o 191.7025 7.398246 369.3155   28.36525 369.3155   28.36525 ?          ?        191.7025 7.398246 ?        ?        ?         ?        
1 1 1 9  15 16 o 159.4123 12.09968 259.2584   38.57674 259.2584   38.57674 ?          ?        159.4123 12.09968 ?        ?        ?         ?        
1 1 1 9  15 17 o 190.3727 8.939912 367.6136   34.03830 367.6136   34.03830 ?          ?        190.3727 8.939912 ?        ?        ?         ?        
1 1 1 9  15 18 o 121.7041 10.02189 152.0377   24.39412 152.0377   24.39412 ?          ?        121.7041 10.02189 ?        ?        ?         ?        
1 1 1 9  15 19 o 145.3284 11.32046 220.6816   32.90369 220.6816   32.90369 ?          ?        145.3284 11.32046 ?        ?        ?         ?        
1 1 1 9  16 0  o 88.30772 6.825831 79.42269   11.91340 79.42269   11.91340 79.42269   11.91340 88.30772 6.825831 88.30772 6.825831 -0.000000 0.000000 
1 1 1 9  16 1  o 344.4270 5.517777 1187.369   38.00943 1187.369   38.00943 ?          ?        344.4270 5.517777 ?        ?        ?         ?        
1 1 1 9  16 2  o 193.8940 3.803607 376.1232   14.74993 376.1232   14.74993 ?          ?        193.8940 3.803607 ?        ?        ?         ?        
1 1 1 9  16 3  o 570.3973 8.603106 3261.436   98.14376 3261.436   98.14376 ?          ?        570.3973 8.603106 ?        ?        ?         ?        
1 1 1 9  16 4  o 526.4185 7.974752 2776.958   83.96114 2776.958   83.96114 ?          ?        526.4185 7.974752 ?        ?        ?         ?        
1 1 1 9  16 5  o 287.1406 5.828328 825.4287   33.47099 825.4287   33.47099 ?          ?        287.1406 5.828328 ?        ?        ?         ?        
1 1 1 9  16 6  f 539.4193 8.676489 2918.784   93.60532 2918.784   93.60532 ?          ?        539.4193 8.676489 ?        ?        ?         ?        
1 1 1 9  16 7  o 288.6624 7.173305 834.5057   41.41326 834.5057   41.41326 ?          ?        288.6624 7.173305 ?        ?        ?         ?        
1 1 1 9  16 8  o 283.2993 7.108851 803.3038   40.27865 803.3038   40.27865 ?          ?        283.2993 7.108851 ?        ?        ?         ?        
1 1 1 9  16 9  o 288.9498 6.282669 835.6403   36.30752 835.6403   36.30752 ?          ?        288.9498 6.282669 ?        ?        ?         ?        
1 1 1 9  16 10 f 305.4388 8.079449 934.3513   49.35553 934.3513   49.35553 ?          ?        305.4388 8.079449 ?        ?        ?         ?        
1 1 1 9  16 11 o 215.5777 5.657848 465.1901   24.39412 465.1901   24.39412 ?          ?        215.5777 5.657848 ?        ?        ?         ?        
1 1 1 9  16 12 o 237.9470 7.271703 567.3050   34.60560 567.3050   34.60560 ?          ?        237.9470 7.271703 ?        ?        ?         ?        
1 1 1 9  16 13 o 144.8607 8.224040 210.4701   23.82681 210.4701   23.82681 ?          ?        144.8607 8.224040 ?        ?        ?         ?        
1 1 1 9  16 14 o 184.5974 9.680587 342.6522   35.74022 342.6522   35.74022 ?          ?        184.5974 9.680587 ?        ?        ?         ?        
1 1 1 9  16 15 o 292.6278 9.693286 863.4382   56.73050 863.4382   56.73050 ?          ?        292.6278 9.693286 ?        ?        ?         ?        
1 1 1 9  16 16 o 228.9124 8.797831 529.8629   40.27865 529.8629   40.27865 ?          ?        228.9124 8.797831 ?        ?        ?         ?        
1 1 1 9  16 17 o 151.6324 9.353292 233.7296   28.36525 233.7296   28.36525 ?          ?        151.6324 9.353292 ?        ?        ?         ?        
1 1 1 9  16 18 o 38.57355 16.61651 1.134610   23.25950 1.134610   23.25950 ?          ?        38.57355 16.61651 ?        ?        ?         ?        
1 1 1 9  16 19 o 118.4926 12.44797 148.0666   29.49986 148.0666   29.49986 ?          ?        118.4926 12.44797 ?        ?        ?         ?        
1 1 1 9  17 0  o 125.1981 5.459881 157.7108   13.61532 157.7108   13.61532 157.7108   13.61532 125.1981 5.459881 125.1981 5.459881 -0.000000 0.000000 
1 1 1 9  17 1  o 547.9500 8.230813 3008.986   90.20149 3008.986   90.20149 ?          ?        547.9500 8.230813 ?        ?        ?         ?        
1 1 1 9  17 2  o 241.8880 4.338844 585.4587   20.99029 585.4587   20.99029 ?          ?        241.8880 4.338844 ?        ?        ?         ?        
1 1 1 9  17 3  o 591.8623 8.914128 3512.185   105.5187 3512.185   105.5187 ?          ?        591.8623 8.914128 ?        ?        ?         ?        
1 1 1 9  17 4  o 496.7657 7.537181 2472.315   74.88425 2472.315   74.88425 ?          ?        496.7657 7.537181 ?        ?        ?         ?        
1 1 1 9  17 5  o 205.7923 4.272864 423.7768   17.58645 423.7768   17.58645 ?          ?        205.7923 4.272864 ?        ?        ?         ?        
1 1 1 9  17 6  o 225.3750 4.530888 508.3052   20.42298 508.3052   20.42298 ?          ?        225.3750 4.530888 ?        ?        ?         ?        
1 1 1 9  17 7  o 214.3941 5.953691 460.0844   25.52872 460.0844   25.52872 ?          ?        214.3941 5.953691 ?        ?        ?         ?        
1 1 1 9  17 8  o 696.9338 14.81482 4875.419   206.4990 4875.419   206.4990 ?          ?        696.9338 14.81482 ?        ?        ?         ?        
1 1 1 9  17 9  o 368.8264 7.690678 1362.099   56.73050 1362.099   56.73050 ?          ?        368.8264 7.690678 ?        ?        ?         ?        
1 1 1 9  17 10 f 243.3369 6.994070 592.8337   34.03830 592.8337   34.03830 ?          ?        243.3369 6.994070 ?        ?        ?         ?        
1 1 1 9  17 11 o 221.6410 6.398919 491.8534   28.36525 491.8534   28.36525 ?          ?        221.6410 6.398919 ?        ?        ?         ?        
1 1 1 9  17 12 o 63.41828 6.261814 40.27865   7.942269 40.27865   7.942269 ?          ?        63.41828 6.261814 ?        ?        ?         ?        
1 1 1 9  17 13 o 199.4029 12.51808 400.5173   49.92284 400.5173   49.92284 ?          ?        199.4029 12.51808 ?        ?        ?         ?        
1 1 1 9  17 14 o 346.3057 10.48424 1207.792   72.61504 1207.792   72.61504 ?          ?        346.3057 10.48424 ?        ?        ?         ?        
1 1 1 9  17 15 o 46.02171 17.28652 16.45185   21.55759 16.45185   21.55759 ?          ?        46.02171 17.28652 ?        ?        ?         ?        
1 1 1 9  17 16 o 276.8680 9.732792 777.2078   53.89397 777.2078   53.89397 ?          ?        276.8680 9.732792 ?        ?        ?         ?        
1 1 1 9  17 17 o 86.09565 14.16687 77.15348   24.39412 77.15348   24.39412 ?          ?        86.09565 14.16687 ?        ?        ?         ?        
1 1 1 9  17 18 f 35.08296 15.87307 -9.644185  23.82681 -9.644185  23.82681 ?          ?        35.08296 15.87307 ?        ?        ?         ?        
1 1 1 9  17 19 o 93.35854 15.19157 94.17262   28.36525 94.17262   28.36525 ?          ?        93.35854 15.19157 ?        ?        ?         ?        
1 1 1 9  18 0  o 128.7275 5.753842 166.7877   14.74993 166.7877   14.74993 166.7877   14.74993 128.7275 5.753842 128.7275 5.753842 -0.000000 0.000000 
1 1 1 9  18 1  o 638.1107 9.557164 4084.028   121.9706 4084.028   121.9706 ?          ?        638.1107 9.557164 ?        ?        ?         ?        
1 1 1 9  18 2  o 279.9908 4.964083 784.5828   27.79794 784.5828   27.79794 ?          ?        279.9908 4.964083 ?        ?        ?         ?        
1 1 1 9  18 3  o 218.3525 4.546701 477.1035   19.85567 477.1035   19.85567 ?          ?        218.3525 4.546701 ?        ?        ?         ?        
1 1 1 9  18 4  o 318.7061 5.162074 1016.610   32.90369 1016.610   32.90369 ?          ?        318.7061 5.162074 ?        ?        ?         ?        
1 1 1 9  18 5  f 108.8518 4.169377 118.5667   9.076880 118.5667   9.076880 ?          ?        108.8518 4.169377 ?        ?        ?         ?        
1 1 1 9  18 6  o 176.1190 3.865376 310.3158   13.61532 310.3158   13.61532 ?          ?        176.1190 3.865376 ?        ?        ?         ?        
1 1 1 9  18 7  o 121.4218 4.438574 147.4993   10.77879 147.4993   10.77879 ?          ?        121.4218 4.438574 ?        ?        ?         ?        
1 1 1 9  18 8  o 363.8601 7.561777 1325.224   55.02858 1325.224   55.02858 ?          ?        363.8601 7.561777 ?        ?        ?         ?        
1 1 1 9  18 9  o 411.4361 10.61707 1696.809   87.36497 1696.809   87.36497 ?          ?        411.4361 10.61707 ?        ?        ?         ?        
1 1 1 9  18 10 o 123.9328 6.179653 153.7396   15.31723 153.7396   15.31723 ?          ?        123.9328 6.179653 ?        ?        ?         ?        
1 1 1 9  18 11 o 333.7446 9.773952 1117.023   65.24007 1117.023   65.24007 ?          ?        333.7446 9.773952 ?        ?        ?         ?        
1 1 1 9  18 12 o 257.9643 8.246854 667.1506   42.54787 667.1506   42.54787 ?          ?        257.9643 8.246854 ?        ?        ?         ?        
1 1 1 9  18 13 o 302.2725 10.60392 918.4667   64.10546 918.4667   64.10546 ?          ?        302.2725 10.60392 ?        ?        ?         ?        
1 1 1 9  18 14 o 420.9946 12.32994 1790.982   103.8168 1790.982   103.8168 ?          ?        420.9946 12.32994 ?        ?        ?         ?        
1 1 1 9  18 15 o 115.1751 9.851176 133.8840   22.69220 133.8840   22.69220 ?          ?        115.1751 9.851176 ?        ?        ?         ?        
1 1 1 9  18 16 o 39.07296 16.60826 1.701915   22.69220 1.701915   22.69220 ?          ?        39.07296 16.60826 ?        ?        ?         ?        
1 1 1 9  18 17 o 275.1041 9.588982 772.1021   52.75936 772.1021   52.75936 ?          ?        275.1041 9.588982 ?        ?        ?         ?        
1 1 1 9  18 18 o 137.7360 10.70884 195.7202   29.49986 195.7202   29.49986 ?          ?        137.7360 10.70884 ?        ?        ?         ?        
1 1 1 9  19 0  o 307.1473 7.119499 945.6974   43.68248 945.6974   43.68248 945.6974   43.68248 307.1473 7.119499 307.1473 7.119499 -0.000000 0.000000 
1 1 1 9  19 1  o 409.7931 6.298881 1681.492   51.62476 1681.492   51.62476 ?          ?        409.7931 6.298881 ?        ?        ?         ?        
1 1 1 9  19 2  o 194.4696 4.084068 378.3924   15.88454 378.3924   15.88454 ?          ?        194.4696 4.084068 ?        ?        ?         ?        
1 1 1 9  19 3  o 210.9771 3.898965 445.3344   16.45185 445.3344   16.45185 ?          ?        210.9771 3.898965 ?        ?        ?         ?        
1 1 1 9  19 4  o 123.2687 4.141964 152.0377   10.21149 152.0377   10.21149 ?          ?        123.2687 4.141964 ?        ?        ?         ?        
1 1 1 9  19 5  o 249.4811 4.320486 622.9009   21.55759 622.9009   21.55759 ?          ?        249.4811 4.320486 ?        ?        ?         ?        
1 1 1 9  19 6  o 448.2126 10.44207 2015.067   93.60532 2015.067   93.60532 ?          ?        448.2126 10.44207 ?        ?        ?         ?        
1 1 1 9  19 7  o 198.6570 4.997478 394.8442   19.85567 394.8442   19.85567 ?          ?        198.6570 4.997478 ?        ?        ?         ?        
1 1 1 9  19 8  o 293.8001 7.337502 864.0055   43.11518 864.0055   43.11518 ?          ?        293.8001 7.337502 ?        ?        ?         ?        
1 1 1 9  19 9  o 653.2317 13.98219 4283.720   182.6722 4283.720   182.6722 ?          ?        653.2317 13.98219 ?        ?        ?         ?        
1 1 1 9  19 10 o 323.6544 8.676414 1049.514   56.16319 1049.514   56.16319 ?          ?        323.6544 8.676414 ?        ?        ?         ?        
1 1 1 9  19 11 o 125.4790 7.459842 157.7108   18.72106 157.7108   18.72106 ?          ?        125.4790 7.459842 ?        ?        ?         ?        
1 1 1 9  19 12 o 222.5693 7.519230 496.3919   33.47099 496.3919   33.47099 ?          ?        222.5693 7.519230 ?        ?        ?         ?        
1 1 1 9  19 13 o 185.1235 8.427285 343.7868   31.20177 343.7868   31.20177 ?          ?        185.1235 8.427285 ?        ?        ?         ?        
1 1 1 9  19 14 f 371.7698 11.29209 1394.436   83.96114 1394.436   83.96114 ?          ?        371.7698 11.29209 ?        ?        ?         ?        
1 1 1 9  19 15 o 268.2253 9.200388 726.1503   49.35553 726.1503   49.35553 ?          ?        268.2253 9.200388 ?        ?        ?         ?        
1 1 1 9  19 16 o 309.7171 10.07428 974.0626   62.40355 974.0626   62.40355 ?          ?        309.7171 10.07428 ?        ?        ?         ?        
1 1 1 9  19 17 o 87.10907 14.32768 79.42269   24.96142 79.42269   24.96142 ?          ?        87.10907 14.32768 ?        ?        ?         ?        
1 1 1 9  19 18 o 155.6040 9.661439 248.4796   30.06716 248.4796   30.06716 ?          ?        155.6040 9.661439 ?        ?        ?         ?        
1 1 1 9  20 0  o 98.58085 6.975987 98.71106   13.61532 98.71106   13.61532 98.71106   13.61532 98.58085 6.975987 98.58085 6.975987 -0.000000 0.000000 
1 1 1 9  20 1  o 323.7269 5.257256 1048.947   34.03830 1048.947   34.03830 ?          ?        323.7269 5.257256 ?        ?        ?         ?        
1 1 1 9  20 2  o 343.7289 5.859073 1182.831   40.27865 1182.831   40.27865 ?          ?        343.7289 5.859073 ?        ?        ?         ?        
1 1 1 9  20 3  o 232.4524 4.148886 540.6417   19.28837 540.6417   19.28837 ?          ?        232.4524 4.148886 ?        ?        ?         ?        
1 1 1 9  20 4  o 470.0661 7.180830 2213.624   67.50929 2213.624   67.50929 ?          ?        470.0661 7.180830 ?        ?        ?         ?        
1 1 1 9  20 5  o 135.1085 4.198885 182.6722   11.34610 182.6722   11.34610 ?          ?        135.1085 4.198885 ?        ?        ?         ?        
1 1 1 9  20 6  o 527.7148 10.64272 2793.977   112.3264 2793.977   112.3264 ?          ?        527.7148 10.64272 ?        ?        ?         ?        
1 1 1 9  20 7  o 222.6145 5.224167 495.8246   23.25950 495.8246   23.25950 ?          ?        222.6145 5.224167 ?        ?        ?         ?        
1 1 1 9  20 8  o 1048.437 24.05170 11114.64   504.3341 11114.64   504.3341 ?          ?        1048.437 24.05170 ?        ?        ?         ?        
1 1 1 9  20 9  o 355.4022 7.502297 1264.523   53.32666 1264.523   53.32666 ?          ?        355.4022 7.502297 ?        ?        ?         ?        
1 1 1 9  20 10 o 305.9505 8.344069 937.7551   51.05745 937.7551   51.05745 ?          ?        305.9505 8.344069 ?        ?        ?         ?        
1 1 1 9  20 11 o 356.8572 8.743490 1276.436   62.40355 1276.436   62.40355 ?          ?        356.8572 8.743490 ?        ?        ?         ?        
1 1 1 9  20 12 o 259.1390 7.333792 672.8237   38.00943 672.8237   38.00943 ?          ?        259.1390 7.333792 ?        ?        ?         ?        
1 1 1 9  20 13 o 407.7127 11.06189 1671.281   90.20149 1671.281   90.20149 ?          ?        407.7127 11.06189 ?        ?        ?         ?        
1 1 1 9  20 14 o 277.1457 9.313648 772.6694   51.62476 772.6694   51.62476 ?          ?        277.1457 9.313648 ?        ?        ?         ?        
1 1 1 9  20 15 o 89.14560 13.04579 81.12460   23.25950 81.12460   23.25950 ?          ?        89.14560 13.04579 ?        ?        ?         ?        
1 1 1 9  20 16 o 40.12689 17.03618 2.269220   23.82681 2.269220   23.82681 ?          ?        40.12689 17.03618 ?        ?        ?         ?        
1 1 1 9  20 17 o 91.61777 14.55140 87.93227   26.66333 87.93227   26.66333 ?          ?        91.61777 14.55140 ?        ?        ?         ?        
1 1 1 9  20 18 f 154.5236 10.64682 246.7777   32.90369 246.7777   32.90369 ?          ?        154.5236 10.64682 ?        ?        ?         ?        
1 1 1 9  21 0  o 241.2795 6.358112 583.7568   30.63447 583.7568   30.63447 583.7568   30.63447 241.2795 6.358112 241.2795 6.358112 -0.000000 0.000000 
1 1 1 9  21 1  o 277.5577 4.803205 770.9675   26.66333 770.9675   26.66333 ?          ?        277.5577 4.803205 ?        ?        ?         ?        
1 1 1 9  21 2  o 607.1680 9.156590 3696.559   111.1918 3696.559   111.1918 ?          ?        607.1680 9.156590 ?        ?        ?         ?        
1 1 1 9  21 3  o 290.2381 4.788816 843.0153   27.79794 843.0153   27.79794 ?          ?        290.2381 4.788816 ?        ?        ?         ?        
1 1 1 9  21 4  o 266.2866 4.686946 709.6985   24.96142 709.6985   24.96142 ?          ?        266.2866 4.686946 ?        ?        ?         ?        
1 1 1 9  21 5  o 109.6198 5.175207 120.2687   11.34610 120.2687   11.34610 ?          ?        109.6198 5.175207 ?        ?        ?         ?        
1 1 1 9  21 6  o 662.6736 14.21101 4415.902   188.3452 4415.902   188.3452 ?          ?        662.6736 14.21101 ?        ?        ?         ?        
1 1 1 9  21 7  o 187.0511 4.852622 350.0272   18.15376 350.0272   18.15376 ?          ?        187.0511 4.852622 ?        ?        ?         ?        
1 1 1 9  21 8  o 742.6240 17.07360 5548.810   253.5853 5548.810   253.5853 ?          ?        742.6240 17.07360 ?        ?        ?         ?        
1 1 1 9  21 9  o 322.9817 7.464962 1044.408   48.22092 1044.408   48.22092 ?          ?        322.9817 7.464962 ?        ?        ?         ?        
1 1 1 9  21 10 o 132.9838 5.545760 176.9992   14.74993 176.9992   14.74993 ?          ?        132.9838 5.545760 ?        ?        ?         ?        
1 1 1 9  21 11 o 220.7573 5.910570 487.8823   26.09603 487.8823   26.09603 ?          ?        220.7573 5.910570 ?        ?        ?         ?        
1 1 1 9  21 12 o 449.2050 10.86102 2026.413   97.57646 2026.413   97.57646 ?          ?        449.2050 10.86102 ?        ?        ?         ?        
1 1 1 9  21 13 o 363.8146 11.07120 1331.465   80.55730 1331.465   80.55730 ?          ?        363.8146 11.07120 ?        ?        ?         ?        
1 1 1 9  21 14 o 409.1917 11.02191 1688.300   90.20149 1688.300   90.20149 ?          ?        409.1917 11.02191 ?        ?        ?         ?        
1 1 1 9  21 15 o 288.6113 9.828183 843.0153   56.73050 843.0153   56.73050 ?          ?        288.6113 9.828183 ?        ?        ?         ?        
1 1 1 9  21 16 o 281.0746 9.889881 802.7365   55.59589 802.7365   55.59589 ?          ?        281.0746 9.889881 ?        ?        ?         ?        
1 1 1 9  21 17 o 193.5149 9.234487 381.7962   35.74022 381.7962   35.74022 ?          ?        193.5149 9.234487 ?        ?        ?         ?        
1 1 1 9  21 18 o 171.6180 9.255753 302.3735   31.76908 302.3735   31.76908 ?          ?        171.6180 9.255753 ?        ?        ?         ?        
1 1 1 9  22 0  o 312.1558 7.369504 976.8991   45.95170 976.8991   45.95170 976.8991   45.95170 312.1558 7.369504 312.1558 7.369504 -0.000000 0.000000 
1 1 1 9  22 1  o 348.5874 5.451922 1216.302   38.00943 1216.302   38.00943 ?          ?        348.5874 5.451922 ?        ?        ?         ?        
1 1 1 9  22 2  o 392.9405 6.135906 1545.906   48.22092 1545.906   48.22092 ?          ?        392.9405 6.135906 ?        ?        ?         ?        
1 1 1 9  22 3  o 313.5859 5.155905 984.2742   32.33638 984.2742   32.33638 ?          ?        313.5859 5.155905 ?        ?        ?         ?        
1 1 1 9  22 4  o 320.2477 5.314372 1026.822   34.03830 1026.822   34.03830 ?          ?        320.2477 5.314372 ?        ?        ?         ?        
1 1 1 9  22 5  o 223.5028 4.315017 499.7957   19.28837 499.7957   19.28837 ?          ?        223.5028 4.315017 ?        ?        ?         ?        
1 1 1 9  22 6  o 183.8270 4.937730 338.1137   18.15376 338.1137   18.15376 ?          ?        183.8270 4.937730 ?        ?        ?         ?        
1 1 1 9  22 7  o 354.1383 9.371294 1256.013   66.37468 1256.013   66.37468 ?          ?        354.1383 9.371294 ?        ?        ?         ?        
1 1 1 9  22 8  o 901.4632 19.19413 8192.451   346.0561 8192.451   346.0561 ?          ?        901.4632 19.19413 ?        ?        ?         ?        
1 1 1 9  22 9  o 294.9039 7.502409 870.8131   44.24979 870.8131   44.24979 ?          ?        294.9039 7.502409 ?        ?        ?         ?        
1 1 1 9  22 10 o 180.0563 5.513741 324.4984   19.85567 324.4984   19.85567 ?          ?        180.0563 5.513741 ?        ?        ?         ?        
1 1 1 9  22 11 o 308.6094 7.444961 954.2070   45.95170 954.2070   45.95170 ?          ?        308.6094 7.444961 ?        ?        ?         ?        
1 1 1 9  22 12 o 151.3012 5.624262 229.1912   17.01915 229.1912   17.01915 ?          ?        151.3012 5.624262 ?        ?        ?         ?        
1 1 1 9  22 13 o 211.0726 6.316153 446.4690   26.66333 446.4690   26.66333 ?          ?        211.0726 6.316153 ?        ?        ?         ?        
1 1 1 9  22 14 f 293.0603 8.614293 863.4382   50.49014 863.4382   50.49014 ?          ?        293.0603 8.614293 ?        ?        ?         ?        
1 1 1 9  22 15 o 137.8732 8.435109 191.7491   23.25950 191.7491   23.25950 ?          ?        137.8732 8.435109 ?        ?        ?         ?        
1 1 1 9  22 16 o 259.9438 8.402293 683.6025   43.68248 683.6025   43.68248 ?          ?        259.9438 8.402293 ?        ?        ?         ?        
1 1 1 9  22 17 o 135.3019 10.69185 188.3452   28.93255 188.3452   28.93255 ?          ?        135.3019 10.69185 ?        ?        ?         ?        
1 1 1 9  22 18 o 106.2539 12.54698 118.5667   26.66333 118.5667   26.66333 ?          ?        106.2539 12.54698 ?        ?        ?         ?        
1 1 1 9  23 0  o 485.1780 10.65180 2361.690   103.2495 2361.690   103.2495 2361.690   103.2495 485.1780 10.65180 485.1780 10.65180 -0.000000 0.000000 
1 1 1 9  23 1  o 223.3624 4.444721 499.2284   19.85567 499.2284   19.85567 ?          ?        223.3624 4.444721 ?        ?        ?         ?        
1 1 1 9  23 2  o 636.7261 9.444302 4066.442   120.2687 4066.442   120.2687 ?          ?        636.7261 9.444302 ?        ?        ?         ?        
1 1 1 9  23 3  o 495.1392 7.447366 2456.998   73.74965 2456.998   73.74965 ?          ?        495.1392 7.447366 ?        ?        ?         ?        
1 1 1 9  23 4  o 272.9127 4.781021 745.4387   26.09603 745.4387   26.09603 ?          ?        272.9127 4.781021 ?        ?        ?         ?        
1 1 1 9  23 5  o 46.06272 10.12725 22.12490   9.076880 22.12490   9.076880 ?          ?        46.06272 10.12725 ?        ?        ?         ?        
1 1 1 9  23 6  o 381.9797 9.950641 1461.945   76.01886 1461.945   76.01886 ?          ?        381.9797 9.950641 ?        ?        ?         ?        
1 1 1 9  23 7  o 460.6492 10.83750 2126.259   99.84568 2126.259   99.84568 ?          ?        460.6492 10.83750 ?        ?        ?         ?        
1 1 1 9  23 8  o 484.5344 9.893471 2352.614   95.87454 2352.614   95.87454 ?          ?        484.5344 9.893471 ?        ?        ?         ?        
1 1 1 9  23 9  o 265.6331 6.300229 706.2947   33.47099 706.2947   33.47099 ?          ?        265.6331 6.300229 ?        ?        ?         ?        
1 1 1 9  23 10 o 548.4084 12.10315 3020.899   132.7494 3020.899   132.7494 ?          ?        548.4084 12.10315 ?        ?        ?         ?        
1 1 1 9  23 11 o 173.4638 5.559770 301.2389   19.28837 301.2389   19.28837 ?          ?        173.4638 5.559770 ?        ?        ?         ?        
1 1 1 9  23 12 o 198.4196 6.004147 394.2770   23.82681 394.2770   23.82681 ?          ?        198.4196 6.004147 ?        ?        ?         ?        
1 1 1 9  23 13 o 414.2287 11.09332 1727.443   91.90340 1727.443   91.90340 ?          ?        414.2287 11.09332 ?        ?        ?         ?        
1 1 1 9  23 14 o 112.4378 10.84783 127.6436   24.39412 127.6436   24.39412 ?          ?        112.4378 10.84783 ?        ?        ?         ?        
1 1 1 9  23 15 o 230.3931 8.002587 534.9686   36.87482 534.9686   36.87482 ?          ?        230.3931 8.002587 ?        ?        ?         ?        
1 1 1 9  23 16 o 235.2064 9.888975 562.1992   46.51900 562.1992   46.51900 ?          ?        235.2064 9.888975 ?        ?        ?         ?        
1 1 1 9  23 17 o 90.89652 14.66686 87.36497   26.66333 87.36497   26.66333 ?          ?        90.89652 14.66686 ?        ?        ?         ?        
1 1 1 9  23 18 o 166.7492 8.335258 284.2198   27.79794 284.2198   27.79794 ?          ?        166.7492 8.335258 ?        ?        ?         ?        
1 1 1 9  24 0  o 78.43356 8.111742 63.53815   12.48071 63.53815   12.48071 63.53815   12.48071 78.43356 8.111742 78.43356 8.111742 -0.000000 0.000000 
1 1 1 9  24 1  o 102.4112 4.431586 104.9514   9.076880 104.9514   9.076880 ?          ?        102.4112 4.431586 ?        ?        ?         ?        
1 1 1 9  24 2  o 332.5683 5.714530 1107.379   38.00943 1107.379   38.00943 ?          ?        332.5683 5.714530 ?        ?        ?         ?        
1 1 1 9  24 3  o 180.8330 4.862623 327.3350   17.58645 327.3350   17.58645 ?          ?        180.8330 4.862623 ?        ?        ?         ?        
1 1 1 9  24 4  o 617.5269 10.61067 3825.905   131.0475 3825.905   131.0475 ?          ?        617.5269 10.61067 ?        ?        ?         ?        
1 1 1 9  24 5  o 173.1691 5.241628 300.1043   18.15376 300.1043   18.15376 ?          ?        173.1691 5.241628 ?        ?        ?         ?        
1 1 1 9  24 6  o 321.1887 6.800128 1032.495   43.68248 1032.495   43.68248 ?          ?        321.1887 6.800128 ?        ?        ?         ?        
1 1 1 9  24 7  o 143.4703 4.942705 205.9317   14.18262 205.9317   14.18262 ?          ?        143.4703 4.942705 ?        ?        ?         ?        
1 1 1 9  24 8  o 389.5576 8.664865 1519.810   67.50929 1519.810   67.50929 ?          ?        389.5576 8.664865 ?        ?        ?         ?        
1 1 1 9  24 9  o 517.9893 11.39014 2691.862   117.9994 2691.862   117.9994 ?          ?        517.9893 11.39014 ?        ?        ?         ?        
1 1 1 9  24 10 o 410.9091 9.319114 1692.838   76.58617 1692.838   76.58617 ?          ?        410.9091 9.319114 ?        ?        ?         ?        
1 1 1 9  24 11 o 297.9547 7.235190 889.5342   43.11518 889.5342   43.11518 ?          ?        297.9547 7.235190 ?        ?        ?         ?        
1 1 1 9  24 12 o 483.2191 10.91831 2347.508   105.5187 2347.508   105.5187 ?          ?        483.2191 10.91831 ?        ?        ?         ?        
1 1 1 9  24 13 o 325.4643 8.541012 1063.697   55.59589 1063.697   55.59589 ?          ?        325.4643 8.541012 ?        ?        ?         ?        
1 1 1 9  24 14 o 447.7949 13.17561 2036.625   117.9994 2036.625   117.9994 ?          ?        447.7949 13.17561 ?        ?        ?         ?        
1 1 1 9  24 15 o 208.5719 7.887852 438.5268   32.90369 438.5268   32.90369 ?          ?        208.5719 7.887852 ?        ?        ?         ?        
1 1 1 9  24 16 o 173.1971 8.352492 303.5081   28.93255 303.5081   28.93255 ?          ?        173.1971 8.352492 ?        ?        ?         ?        
1 1 1 9  24 17 o 98.16019 10.98082 99.27837   21.55759 99.27837   21.55759 ?          ?        98.16019 10.98082 ?        ?        ?         ?        
1 1 1 9  24 18 o 105.9883 12.57843 117.9994   26.66333 117.9994   26.66333 ?          ?        105.9883 12.57843 ?        ?        ?         ?        
1 1 1 9  25 0  o 385.1193 8.627047 1487.474   66.37468 1487.474   66.37468 1487.474   66.37468 385.1193 8.627047 385.1193 8.627047 -0.000000 0.000000 
1 1 1 9  25 1  o 272.9156 4.573102 745.4387   24.96142 745.4387   24.96142 ?          ?        272.9156 4.573102 ?        ?        ?         ?        
1 1 1 9  25 2  o 144.6321 4.118519 209.3355   11.91340 209.3355   11.91340 ?          ?        144.6321 4.118519 ?        ?        ?         ?        
1 1 1 9  25 3  o 304.1925 5.781356 926.4091   35.17290 926.4091   35.17290 ?          ?        304.1925 5.781356 ?        ?        ?         ?        
1 1 1 9  25 4  o 673.0365 15.63586 4561.132   210.4701 4561.132   210.4701 ?          ?        673.0365 15.63586 ?        ?        ?         ?        
1 1 1 9  25 5  o 566.5623 12.11586 3220.591   137.2878 3220.591   137.2878 ?          ?        566.5623 12.11586 ?        ?        ?         ?        
1 1 1 9  25 6  o 494.4144 11.64639 2450.190   115.1629 2450.190   115.1629 ?          ?        494.4144 11.64639 ?        ?        ?         ?        
1 1 1 9  25 7  o 76.77153 7.020046 58.99971   10.77879 58.99971   10.77879 ?          ?        76.77153 7.020046 ?        ?        ?         ?        
1 1 1 9  25 8  o 264.8033 6.212856 701.7562   32.90369 701.7562   32.90369 ?          ?        264.8033 6.212856 ?        ?        ?         ?        
1 1 1 9  25 9  o 144.4278 5.695524 208.7682   16.45185 208.7682   16.45185 ?          ?        144.4278 5.695524 ?        ?        ?         ?        
1 1 1 9  25 10 f 300.0798 7.562055 902.0149   45.38440 902.0149   45.38440 ?          ?        300.0798 7.562055 ?        ?        ?         ?        
1 1 1 9  25 11 o 254.3136 6.803727 647.8623   34.60560 647.8623   34.60560 ?          ?        254.3136 6.803727 ?        ?        ?         ?        
1 1 1 9  25 12 o 178.4199 5.723290 318.8254   20.42298 318.8254   20.42298 ?          ?        178.4199 5.723290 ?        ?        ?         ?        
1 1 1 9  25 13 o 118.9427 6.200434 141.8262   14.74993 141.8262   14.74993 ?          ?        118.9427 6.200434 ?        ?        ?         ?        
1 1 1 9  25 14 o 511.9312 14.90484 2672.006   152.6050 2672.006   152.6050 ?          ?        511.9312 14.90484 ?        ?        ?         ?        
1 1 1 9  25 15 o 118.3603 9.346416 141.8262   22.12490 141.8262   22.12490 ?          ?        118.3603 9.346416 ?        ?        ?         ?        
1 1 1 9  25 16 o 122.6069 9.254044 152.6050   22.69220 152.6050   22.69220 ?          ?        122.6069 9.254044 ?        ?        ?         ?        
1 1 1 9  25 17 o 105.0313 11.61278 114.0283   24.39412 114.0283   24.39412 ?          ?        105.0313 11.61278 ?        ?        ?         ?        
1 1 1 9  25 18 o 91.94501 16.98961 94.73994   30.06716 94.73994   30.06716 ?          ?        91.94501 16.98961 ?        ?        ?         ?        
1 1 1 9  26 0  o 198.9301 6.000771 397.1135   23.82681 397.1135   23.82681 397.1135   23.82681 198.9301 6.000771 198.9301 6.000771 -0.000000 0.000000 
1 1 1 9  26 1  o 408.4118 7.361972 1671.848   60.13433 1671.848   60.13433 ?          ?        408.4118 7.361972 ?        ?        ?         ?        
1 1 1 9  26 2  o 326.2204 6.695241 1065.966   43.68248 1065.966   43.68248 ?          ?        326.2204 6.695241 ?        ?        ?         ?        
1 1 1 9  26 3  o 208.4076 4.219244 434.5556   17.58645 434.5556   17.58645 ?          ?        208.4076 4.219244 ?        ?        ?         ?        
1 1 1 9  26 4  o 356.1800 8.600840 1271.330   61.26894 1271.330   61.26894 ?          ?        356.1800 8.600840 ?        ?        ?         ?        
1 1 1 9  26 5  o 210.9704 5.378052 445.3344   22.69220 445.3344   22.69220 ?          ?        210.9704 5.378052 ?        ?        ?         ?        
1 1 1 9  26 6  o 354.3211 8.966183 1257.148   63.53815 1257.148   63.53815 ?          ?        354.3211 8.966183 ?        ?        ?         ?        
1 1 1 9  26 7  o 368.5080 7.851269 1359.830   57.86510 1359.830   57.86510 ?          ?        368.5080 7.851269 ?        ?        ?         ?        
1 1 1 9  26 8  f 394.5551 11.35890 1561.223   89.63419 1561.223   89.63419 ?          ?        394.5551 11.35890 ?        ?        ?         ?        
1 1 1 9  26 9  o 362.2279 8.927082 1315.013   64.67276 1315.013   64.67276 ?          ?        362.2279 8.927082 ?        ?        ?         ?        
1 1 1 9  26 10 o 257.3486 6.613267 663.1795   34.03830 663.1795   34.03830 ?          ?        257.3486 6.613267 ?        ?        ?         ?        
1 1 1 9  26 11 o 51.55260 12.71726 27.79794   13.04801 27.79794   13.04801 ?          ?        51.55260 12.71726 ?        ?        ?         ?        
1 1 1 9  26 12 o 387.8438 8.995699 1509.599   69.77851 1509.599   69.77851 ?          ?        387.8438 8.995699 ?        ?        ?         ?        
1 1 1 9  26 13 o 159.4076 5.872075 254.7199   18.72106 254.7199   18.72106 ?          ?        159.4076 5.872075 ?        ?        ?         ?        
1 1 1 9  26 14 o 177.5474 6.709985 316.5562   23.82681 316.5562   23.82681 ?          ?        177.5474 6.709985 ?        ?        ?         ?        
1 1 1 9  26 15 o 220.9290 8.730573 493.5553   38.57674 493.5553   38.57674 ?          ?        220.9290 8.730573 ?        ?        ?         ?        
1 1 1 9  26 16 f 147.5812 8.264645 220.6816   24.39412 220.6816   24.39412 ?          ?        147.5812 8.264645 ?        ?        ?         ?        
1 1 1 9  26 17 o 165.4875 10.79846 282.5179   35.74022 282.5179   35.74022 ?          ?        165.4875 10.79846 ?        ?        ?         ?        
1 1 1 9  26 18 o 155.1620 11.51706 251.8834   35.74022 251.8834   35.74022 ?          ?        155.1620 11.51706 ?        ?        ?         ?        
1 1 1 9  27 0  o 212.0223 9.133892 452.7094   38.57674 452.7094   38.57674 452.7094   38.57674 212.0223 9.133892 212.0223 9.133892 -0.000000 0.000000 
1 1 1 9  27 1  o 218.0670 5.203033 475.9689   22.69220 475.9689   22.69220 ?          ?        218.0670 5.203033 ?        ?        ?         ?        
1 1 1 9  27 2  o 512.5612 7.747630 2631.728   79.42269 2631.728   79.42269 ?          ?        512.5612 7.747630 ?        ?        ?         ?        
1 1 1 9  27 3  o 215.8551 5.387758 466.3247   23.25950 466.3247   23.25950 ?          ?        215.8551 5.387758 ?        ?        ?         ?        
1 1 1 9  27 4  o 292.6436 6.300294 857.1978   36.87482 857.1978   36.87482 ?          ?        292.6436 6.300294 ?        ?        ?         ?        
1 1 1 9  27 5  o 277.5694 6.131494 770.9675   34.03830 770.9675   34.03830 ?          ?        277.5694 6.131494 ?        ?        ?         ?        
1 1 1 9  27 6  o 762.5099 16.29353 5842.674   248.4796 5842.674   248.4796 ?          ?        762.5099 16.29353 ?        ?        ?         ?        
1 1 1 9  27 7  o 385.0479 8.103348 1484.637   62.40355 1484.637   62.40355 ?          ?        385.0479 8.103348 ?        ?        ?         ?        
1 1 1 9  27 8  o 587.4869 14.77440 3469.637   173.5953 3469.637   173.5953 ?          ?        587.4869 14.77440 ?        ?        ?         ?        
1 1 1 9  27 9  o 177.5172 5.592607 315.4216   19.85567 315.4216   19.85567 ?          ?        177.5172 5.592607 ?        ?        ?         ?        
1 1 1 9  27 10 o 771.1633 16.91991 6003.789   260.9603 6003.789   260.9603 ?          ?        771.1633 16.91991 ?        ?        ?         ?        
1 1 1 9  27 11 o 254.2148 6.694791 647.2949   34.03830 647.2949   34.03830 ?          ?        254.2148 6.694791 ?        ?        ?         ?        
1 1 1 9  27 12 o 407.1830 10.03135 1665.608   81.69191 1665.608   81.69191 ?          ?        407.1830 10.03135 ?        ?        ?         ?        
1 1 1 9  27 13 o 87.97839 7.737877 77.72078   13.61532 77.72078   13.61532 ?          ?        87.97839 7.737877 ?        ?        ?         ?        
1 1 1 9  27 14 o 134.6613 6.108601 182.1049   16.45185 182.1049   16.45185 ?          ?        134.6613 6.108601 ?        ?        ?         ?        
1 1 1 9  27 15 o 289.0632 11.08848 850.9575   64.10546 850.9575   64.10546 ?          ?        289.0632 11.08848 ?        ?        ?         ?        
1 1 1 9  27 16 o 234.4564 10.88848 563.9012   51.05745 563.9012   51.05745 ?          ?        234.4564 10.88848 ?        ?        ?         ?        
1 1 1 9  27 17 o 169.3001 11.56055 297.2678   39.14404 297.2678   39.14404 ?          ?        169.3001 11.56055 ?        ?        ?         ?        
1 1 1 9  27 18 o 131.2519 12.75067 182.1049   33.47099 182.1049   33.47099 ?          ?        131.2519 12.75067 ?        ?        ?         ?        
1 1 1 9  28 0  o 266.1899 6.508809 710.2658   34.60560 710.2658   34.60560 710.2658   34.60560 266.1899 6.508809 266.1899 6.508809 -0.000000 0.000000 
1 1 1 9  28 1  o 263.7356 5.162488 696.0832   27.23064 696.0832   27.23064 ?          ?        263.7356 5.162488 ?        ?        ?         ?        
1 1 1 9  28 2  o 345.2215 8.380866 1194.177   57.86510 1194.177   57.86510 ?          ?        345.2215 8.380866 ?        ?        ?         ?        
1 1 1 9  28 3  o 64.27186 9.709311 41.41326   12.48071 41.41326   12.48071 ?          ?        64.27186 9.709311 ?        ?        ?         ?        
1 1 1 9  28 4  o 351.2953 7.912984 1235.590   55.59589 1235.590   55.59589 ?          ?        351.2953 7.912984 ?        ?        ?         ?        
1 1 1 9  28 5  f 169.7280 4.846532 288.1909   16.45185 288.1909   16.45185 ?          ?        169.7280 4.846532 ?        ?        ?         ?        
1 1 1 9  28 6  o 302.3042 9.570677 915.6301   57.86510 915.6301   57.86510 ?          ?        302.3042 9.570677 ?        ?        ?         ?        
1 1 1 9  28 7  o 188.8521 5.106738 356.8348   19.28837 356.8348   19.28837 ?          ?        188.8521 5.106738 ?        ?        ?         ?        
1 1 1 9  28 8  o 613.3248 19.19306 3796.405   235.4316 3796.405   235.4316 ?          ?        613.3248 19.19306 ?        ?        ?         ?        
1 1 1 9  28 9  o 212.1251 5.883657 450.4402   24.96142 450.4402   24.96142 ?          ?        212.1251 5.883657 ?        ?        ?         ?        
1 1 1 9  28 10 o 391.1225 10.29822 1535.694   80.55730 1535.694   80.55730 ?          ?        391.1225 10.29822 ?        ?        ?         ?        
1 1 1 9  28 11 o 59.45222 12.34028 36.87482   14.18262 36.87482   14.18262 ?          ?        59.45222 12.34028 ?        ?        ?         ?        
1 1 1 9  28 12 o 509.1887 11.47559 2610.738   116.8648 2610.738   116.8648 ?          ?        509.1887 11.47559 ?        ?        ?         ?        
1 1 1 9  28 13 o 140.7090 6.450815 198.5567   18.15376 198.5567   18.15376 ?          ?        140.7090 6.450815 ?        ?        ?         ?        
1 1 1 9  28 14 o 25.75882 11.69277 -7.374964  13.04801 -7.374964  13.04801 ?          ?        25.75882 11.69277 ?        ?        ?         ?        
1 1 1 9  28 15 o 177.4424 7.513235 317.6908   26.66333 317.6908   26.66333 ?          ?        177.4424 7.513235 ?        ?        ?         ?        
1 1 1 9  28 16 o 169.1846 11.23312 294.4313   38.00943 294.4313   38.00943 ?          ?        169.1846 11.23312 ?        ?        ?         ?        
1 1 1 9  28 17 o 136.6735 13.90519 196.8548   38.00943 196.8548   38.00943 ?          ?        136.6735 13.90519 ?        ?        ?         ?        
1 1 1 9  29 0  o 91.45176 12.67625 86.23035   22.69220 86.23035   22.69220 86.23035   22.69220 91.45176 12.67625 91.45176 12.67625 -0.000000 0.000000 
1 1 1 9  29 1  o 144.6337 4.902945 209.3355   14.18262 209.3355   14.18262 ?          ?        144.6337 4.902945 ?        ?        ?         ?        
1 1 1 9  29 2  o 275.4733 6.075180 759.6213   33.47099 759.6213   33.47099 ?          ?        275.4733 6.075180 ?        ?        ?         ?        
1 1 1 9  29 3  o 228.5144 5.213416 522.4879   23.82681 522.4879   23.82681 ?          ?        228.5144 5.213416 ?        ?        ?         ?        
1 1 1 9  29 4  o 456.0669 10.01345 2083.711   91.33610 2083.711   91.33610 ?          ?        456.0669 10.01345 ?        ?        ?         ?        
1 1 1 9  29 5  o 388.5314 11.38899 1513.002   88.49958 1513.002   88.49958 ?          ?        388.5314 11.38899 ?        ?        ?         ?        
1 1 1 9  29 6  o 520.1676 15.26867 2719.660   158.8454 2719.660   158.8454 ?          ?        520.1676 15.26867 ?        ?        ?         ?        
1 1 1 9  29 7  o 399.5796 11.92594 1601.502   95.30723 1601.502   95.30723 ?          ?        399.5796 11.92594 ?        ?        ?         ?        
1 1 1 9  29 8  o 501.0769 15.96362 2527.344   159.9800 2527.344   159.9800 ?          ?        501.0769 15.96362 ?        ?        ?         ?        
1 1 1 9  29 9  o 360.8608 9.039505 1305.369   65.24007 1305.369   65.24007 ?          ?        360.8608 9.039505 ?        ?        ?         ?        
1 1 1 9  29 10 o 370.7136 10.17653 1379.686   75.45156 1379.686   75.45156 ?          ?        370.7136 10.17653 ?        ?        ?         ?        
1 1 1 9  29 11 o 407.5044 10.85873 1669.011   88.49958 1669.011   88.49958 ?          ?        407.5044 10.85873 ?        ?        ?         ?        
1 1 1 9  29 12 o 128.9599 7.258483 166.7877   18.72106 166.7877   18.72106 ?          ?        128.9599 7.258483 ?        ?        ?         ?        
1 1 1 9  29 13 o 162.2586 7.342231 264.3641   23.82681 264.3641   23.82681 ?          ?        162.2586 7.342231 ?        ?        ?         ?        
1 1 1 9  29 14 o 169.2957 6.701942 288.1909   22.69220 288.1909   22.69220 ?          ?        169.2957 6.701942 ?        ?        ?         ?        
1 1 1 9  29 15 o 214.4953 8.198994 465.1901   35.17290 465.1901   35.17290 ?          ?        214.4953 8.198994 ?        ?        ?         ?        
1 1 1 9  29 16 o 117.7982 9.872609 141.8262   23.25950 141.8262   23.25950 ?          ?        117.7982 9.872609 ?        ?        ?         ?        
1 1 1 9  29 17 o 132.5709 9.414364 180.4030   24.96142 180.4030   24.96142 ?          ?        132.5709 9.414364 ?        ?        ?         ?        
1 1 1 9  30 0  o 127.8980 8.049738 165.6530   20.42298 165.6530   20.42298 165.6530   20.42298 127.8980 8.049738 127.8980 8.049738 -0.000000 0.000000 
1 1 1 9  30 1  o 246.9691 5.627819 610.4202   27.79794 610.4202   27.79794 ?          ?        246.9691 5.627819 ?        ?        ?         ?        
1 1 1 9  30 2  o 830.3760 19.09517 6948.918   317.1235 6948.918   317.1235 ?          ?        830.3760 19.09517 ?        ?        ?         ?        
1 1 1 9  30 3  o 369.4662 7.907680 1366.638   58.43241 1366.638   58.43241 ?          ?        369.4662 7.907680 ?        ?        ?         ?        
1 1 1 9  30 4  o 1016.204 23.39105 10422.53   475.4016 10422.53   475.4016 ?          ?        1016.204 23.39105 ?        ?        ?         ?        
1 1 1 9  30 5  o 257.9818 5.937333 666.0161   30.63447 666.0161   30.63447 ?          ?        257.9818 5.937333 ?        ?        ?         ?        
1 1 1 9  30 6  o 558.5799 13.05072 3130.956   145.7974 3130.956   145.7974 ?          ?        558.5799 13.05072 ?        ?        ?         ?        
1 1 1 9  30 7  o 135.7252 6.060719 184.3741   16.45185 184.3741   16.45185 ?          ?        135.7252 6.060719 ?        ?        ?         ?        
1 1 1 9  30 8  o 534.4250 15.23287 2875.102   162.8165 2875.102   162.8165 ?          ?        534.4250 15.23287 ?        ?        ?         ?        
1 1 1 9  30 9  o 611.7488 15.62584 3770.309   191.1818 3770.309   191.1818 ?          ?        611.7488 15.62584 ?        ?        ?         ?        
1 1 1 9  30 10 o 610.5317 17.23663 3768.040   210.4701 3768.040   210.4701 ?          ?        610.5317 17.23663 ?        ?        ?         ?        
1 1 1 9  30 11 o 365.3770 9.393574 1340.542   68.64390 1340.542   68.64390 ?          ?        365.3770 9.393574 ?        ?        ?         ?        
1 1 1 9  30 12 o 397.1470 9.784887 1586.185   77.72078 1586.185   77.72078 ?          ?        397.1470 9.784887 ?        ?        ?         ?        
1 1 1 9  30 13 o 168.0773 6.750523 283.6525   22.69220 283.6525   22.69220 ?          ?        168.0773 6.750523 ?        ?        ?         ?        
1 1 1 9  30 14 o 193.4876 6.157194 376.1232   23.82681 376.1232   23.82681 ?          ?        193.4876 6.157194 ?        ?        ?         ?        
1 1 1 9  30 15 o 147.3814 5.773846 218.4124   17.01915 218.4124   17.01915 ?          ?        147.3814 5.773846 ?        ?        ?         ?        
1 1 1 9  30 16 o 42.78201 17.50237 9.644185   23.82681 9.644185   23.82681 ?          ?        42.78201 17.50237 ?        ?        ?         ?        
1 1 1 9  30 17 o 35.28053 15.58072 -3.403830  21.55759 -3.403830  21.55759 ?          ?        35.28053 15.58072 ?        ?        ?         ?        
1 1 1 9  31 0  o 896.3887 25.26454 8106.788   452.1420 8106.788   452.1420 8106.788   452.1420 896.3887 25.26454 896.3887 25.26454 -0.000000 0.000000 
1 1 1 9  31 1  o 367.3152 8.880665 1351.320   65.24007 1351.320   65.24007 ?          ?        367.3152 8.880665 ?        ?        ?         ?        
1 1 1 9  31 2  o 251.6496 5.861296 633.6796   29.49986 633.6796   29.49986 ?          ?        251.6496 5.861296 ?        ?        ?         ?        
1 1 1 9  31 3  o 578.1788 13.44234 3353.340   155.4416 3353.340   155.4416 ?          ?        578.1788 13.44234 ?        ?        ?         ?        
1 1 1 9  31 4  o 778.2407 17.89592 6091.153   278.5467 6091.153   278.5467 ?          ?        778.2407 17.89592 ?        ?        ?         ?        
1 1 1 9  31 5  o 177.7065 5.267413 315.9889   18.72106 315.9889   18.72106 ?          ?        177.7065 5.267413 ?        ?        ?         ?        
1 1 1 9  31 6  f 758.7853 17.49498 5792.751   265.4987 5792.751   265.4987 ?          ?        758.7853 17.49498 ?        ?        ?         ?        
1 1 1 9  31 7  o 278.7292 6.716579 777.7751   37.44213 777.7751   37.44213 ?          ?        278.7292 6.716579 ?        ?        ?         ?        
1 1 1 9  31 8  o 682.6545 17.36848 4702.958   237.1335 4702.958   237.1335 ?          ?        682.6545 17.36848 ?        ?        ?         ?        
1 1 1 9  31 9  o 295.0123 7.499652 871.9477   44.24979 871.9477   44.24979 ?          ?        295.0123 7.499652 ?        ?        ?         ?        
1 1 1 9  31 10 o 632.5364 14.12575 4029.567   178.7011 4029.567   178.7011 ?          ?        632.5364 14.12575 ?        ?        ?         ?        
1 1 1 9  31 11 o 290.5683 8.492932 846.9863   49.35553 846.9863   49.35553 ?          ?        290.5683 8.492932 ?        ?        ?         ?        
1 1 1 9  31 12 o 346.6259 8.346910 1207.225   57.86510 1207.225   57.86510 ?          ?        346.6259 8.346910 ?        ?        ?         ?        
1 1 1 9  31 13 o 191.2583 6.228962 367.0463   23.82681 367.0463   23.82681 ?          ?        191.2583 6.228962 ?        ?        ?         ?        
1 1 1 9  31 14 o 190.0852 5.968954 363.0752   22.69220 363.0752   22.69220 ?          ?        190.0852 5.968954 ?        ?        ?         ?        
1 1 1 9  31 15 o 45.07604 11.81336 21.55759   10.77879 21.55759   10.77879 ?          ?        45.07604 11.81336 ?        ?        ?         ?        
1 1 1 9  31 16 o 108.0222 6.564681 117.9994   14.18262 117.9994   14.18262 ?          ?        108.0222 6.564681 ?        ?        ?         ?        
1 1 1 9  31 17 o 68.38057 16.71117 52.75936   22.69220 52.75936   22.69220 ?          ?        68.38057 16.71117 ?        ?        ?         ?        
1 1 1 9  32 0  o 149.5557 9.175254 226.3547   27.23064 226.3547   27.23064 226.3547   27.23064 149.5557 9.175254 149.5557 9.175254 -0.000000 0.000000 
1 1 1 9  32 1  o 357.5658 7.536231 1279.840   53.89397 1279.840   53.89397 ?          ?        357.5658 7.536231 ?        ?        ?         ?        
1 1 1 9  32 2  o 312.7782 7.164357 979.1684   44.81709 979.1684   44.81709 ?          ?        312.7782 7.164357 ?        ?        ?         ?        
1 1 1 9  32 3  o 222.7385 5.603301 496.3919   24.96142 496.3919   24.96142 ?          ?        222.7385 5.603301 ?        ?        ?         ?        
1 1 1 9  32 4  o 518.5291 12.19883 2696.968   126.5090 2696.968   126.5090 ?          ?        518.5291 12.19883 ?        ?        ?         ?        
1 1 1 9  32 5  o 174.8128 5.354605 305.7773   18.72106 305.7773   18.72106 ?          ?        174.8128 5.354605 ?        ?        ?         ?        
1 1 1 9  32 6  o 597.4658 15.23978 3588.204   182.1049 3588.204   182.1049 ?          ?        597.4658 15.23978 ?        ?        ?         ?        
1 1 1 9  32 7  o 507.2772 16.27175 2590.882   165.0858 2590.882   165.0858 ?          ?        507.2772 16.27175 ?        ?        ?         ?        
1 1 1 9  32 8  o 294.7053 8.181210 870.2458   48.22092 870.2458   48.22092 ?          ?        294.7053 8.181210 ?        ?        ?         ?        
1 1 1 9  32 9  o 329.4826 7.920305 1088.091   52.19205 1088.091   52.19205 ?          ?        329.4826 7.920305 ?        ?        ?         ?        
1 1 1 9  32 10 o 609.0319 17.18593 3749.886   209.3355 3749.886   209.3355 ?          ?        609.0319 17.18593 ?        ?        ?         ?        
1 1 1 9  32 11 o 181.1832 7.045002 329.0369   25.52872 329.0369   25.52872 ?          ?        181.1832 7.045002 ?        ?        ?         ?        
1 1 1 9  32 12 o 292.8106 7.362296 860.6017   43.11518 860.6017   43.11518 ?          ?        292.8106 7.362296 ?        ?        ?         ?        
1 1 1 9  32 13 o 110.9505 6.902735 123.6725   15.31723 123.6725   15.31723 ?          ?        110.9505 6.902735 ?        ?        ?         ?        
1 1 1 9  32 14 o 290.6446 8.002730 852.6594   46.51900 852.6594   46.51900 ?          ?        290.6446 8.002730 ?        ?        ?         ?        
1 1 1 9  32 15 o 49.51759 11.64003 26.09603   11.34610 26.09603   11.34610 ?          ?        49.51759 11.64003 ?        ?        ?         ?        
1 1 1 9  32 16 o 107.9580 7.094072 117.9994   15.31723 117.9994   15.31723 ?          ?        107.9580 7.094072 ?        ?        ?         ?        
1 1 1 9  32 17 o 144.0388 10.24025 214.4413   29.49986 214.4413   29.49986 ?          ?        144.0388 10.24025 ?        ?        ?         ?        
1 1 1 9  33 0  o 870.0249 24.56054 7626.281   426.6133 7626.281   426.6133 7626.281   426.6133 870.0249 24.56054 870.0249 24.56054 -0.000000 0.000000 
1 1 1 9  33 1  o 306.9421 6.746103 942.8608   41.41326 942.8608   41.41326 ?          ?        306.9421 6.746103 ?        ?        ?         ?        
1 1 1 9  33 2  o 423.5177 8.840747 1796.088   74.88425 1796.088   74.88425 ?          ?        423.5177 8.840747 ?        ?        ?         ?        
1 1 1 9  33 3  o 36.84127 13.24907 11.34610   12.48071 11.34610   12.48071 ?          ?        36.84127 13.24907 ?        ?        ?         ?        
1 1 1 9  33 4  o 657.5430 15.35721 4346.124   201.9606 4346.124   201.9606 ?          ?        657.5430 15.35721 ?        ?        ?         ?        
1 1 1 9  33 5  o 254.5064 7.355833 648.4296   37.44213 648.4296   37.44213 ?          ?        254.5064 7.355833 ?        ?        ?         ?        
1 1 1 9  33 6  o 560.9471 15.67568 3165.562   175.8645 3165.562   175.8645 ?          ?        560.9471 15.67568 ?        ?        ?         ?        
1 1 1 9  33 7  o 322.7129 7.822764 1043.274   50.49014 1043.274   50.49014 ?          ?        322.7129 7.822764 ?        ?        ?         ?        
1 1 1 9  33 8  o 421.8929 11.02626 1786.443   93.03801 1786.443   93.03801 ?          ?        421.8929 11.02626 ?        ?        ?         ?        
1 1 1 9  33 9  f 558.1869 15.95646 3145.706   178.1338 3145.706   178.1338 ?          ?        558.1869 15.95646 ?        ?        ?         ?        
1 1 1 9  33 10 f 255.1845 6.669350 652.4007   34.03830 652.4007   34.03830 ?          ?        255.1845 6.669350 ?        ?        ?         ?        
1 1 1 9  33 11 o 94.19400 8.431821 89.06688   15.88454 89.06688   15.88454 ?          ?        94.19400 8.431821 ?        ?        ?         ?        
1 1 1 9  33 12 o 184.7046 6.296407 342.0849   23.25950 342.0849   23.25950 ?          ?        184.7046 6.296407 ?        ?        ?         ?        
1 1 1 9  33 13 o 129.6605 6.781730 169.0569   17.58645 169.0569   17.58645 ?          ?        129.6605 6.781730 ?        ?        ?         ?        
1 1 1 9  33 14 o 81.04350 8.400008 66.37468   13.61532 66.37468   13.61532 ?          ?        81.04350 8.400008 ?        ?        ?         ?        
1 1 1 9  33 15 o 210.7697 6.998125 448.7382   29.49986 448.7382   29.49986 ?          ?        210.7697 6.998125 ?        ?        ?         ?        
1 1 1 9  33 16 o 97.32128 6.703577 95.87454   13.04801 95.87454   13.04801 ?          ?        97.32128 6.703577 ?        ?        ?         ?        
1 1 1 9  33 17 o 208.4479 9.389406 447.6036   39.14404 447.6036   39.14404 ?          ?        208.4479 9.389406 ?        ?        ?         ?        
1 1 1 9  34 0  o 114.1622 9.829618 133.3167   22.12490 133.3167   22.12490 133.3167   22.12490 114.1622 9.829618 114.1622 9.829618 -0.000000 0.000000 
1 1 1 9  34 1  o 245.7203 6.002730 604.1797   29.49986 604.1797   29.49986 ?          ?        245.7203 6.002730 ?        ?        ?         ?        
1 1 1 9  34 2  o 833.9326 16.63277 6992.601   277.4121 6992.601   277.4121 ?          ?        833.9326 16.63277 ?        ?        ?         ?        
1 1 1 9  34 3  o 554.6043 12.99084 3087.274   144.0954 3087.274   144.0954 ?          ?        554.6043 12.99084 ?        ?        ?         ?        
1 1 1 9  34 4  o 666.5219 15.53335 4464.123   207.0663 4464.123   207.0663 ?          ?        666.5219 15.53335 ?        ?        ?         ?        
1 1 1 9  34 5  o 256.1424 7.641071 656.9391   39.14404 656.9391   39.14404 ?          ?        256.1424 7.641071 ?        ?        ?         ?        
1 1 1 9  34 6  o 298.6459 8.453176 893.5052   50.49014 893.5052   50.49014 ?          ?        298.6459 8.453176 ?        ?        ?         ?        
1 1 1 9  34 7  o 191.7732 6.064325 368.1809   23.25950 368.1809   23.25950 ?          ?        191.7732 6.064325 ?        ?        ?         ?        
1 1 1 9  34 8  o 137.9665 6.579045 190.6145   18.15376 190.6145   18.15376 ?          ?        137.9665 6.579045 ?        ?        ?         ?        
1 1 1 9  34 9  o 367.1927 8.574635 1351.888   62.97085 1351.888   62.97085 ?          ?        367.1927 8.574635 ?        ?        ?         ?        
1 1 1 9  34 10 o 125.4383 7.010004 157.7108   17.58645 157.7108   17.58645 ?          ?        125.4383 7.010004 ?        ?        ?         ?        
1 1 1 9  34 11 o 306.5306 7.865596 942.8608   48.22092 942.8608   48.22092 ?          ?        306.5306 7.865596 ?        ?        ?         ?        
1 1 1 9  34 12 o 181.2880 6.102138 329.6042   22.12490 329.6042   22.12490 ?          ?        181.2880 6.102138 ?        ?        ?         ?        
1 1 1 9  34 13 o 243.4437 6.990999 596.2375   34.03830 596.2375   34.03830 ?          ?        243.4437 6.990999 ?        ?        ?         ?        
1 1 1 9  34 14 o 123.0904 6.682828 152.6050   16.45185 152.6050   16.45185 ?          ?        123.0904 6.682828 ?        ?        ?         ?        
1 1 1 9  34 15 o 189.0561 6.451553 360.8060   24.39412 360.8060   24.39412 ?          ?        189.0561 6.451553 ?        ?        ?         ?        
1 1 1 9  34 16 o 126.8641 6.484044 162.8165   16.45185 162.8165   16.45185 ?          ?        126.8641 6.484044 ?        ?        ?         ?        
1 1 1 9  34 17 o 207.9423 8.593781 443.6324   35.74022 443.6324   35.74022 ?          ?        207.9423 8.593781 ?        ?        ?         ?        
1 1 1 9  35 0  o 878.2871 24.87980 7781.722   436.2575 7781.722   436.2575 7781.722   436.2575 878.2871 24.87980 878.2871 24.87980 -0.000000 0.000000 
1 1 1 9  35 1  o 393.9644 8.423943 1554.416   66.37468 1554.416   66.37468 ?          ?        393.9644 8.423943 ?        ?        ?         ?        
1 1 1 9  35 2  o 250.8329 6.219633 629.7086   31.20177 629.7086   31.20177 ?          ?        250.8329 6.219633 ?        ?        ?         ?        
1 1 1 9  35 3  o 488.6616 10.04210 2392.892   98.14376 2392.892   98.14376 ?          ?        488.6616 10.04210 ?        ?        ?         ?        
1 1 1 9  35 4  o 394.3182 9.639279 1557.819   76.01886 1557.819   76.01886 ?          ?        394.3182 9.639279 ?        ?        ?         ?        
1 1 1 9  35 5  o 354.7292 9.515609 1261.119   67.50929 1261.119   67.50929 ?          ?        354.7292 9.515609 ?        ?        ?         ?        
1 1 1 9  35 6  o 440.5082 11.52619 1947.558   101.5476 1947.558   101.5476 ?          ?        440.5082 11.52619 ?        ?        ?         ?        
1 1 1 9  35 7  o 142.6245 6.364181 203.6625   18.15376 203.6625   18.15376 ?          ?        142.6245 6.364181 ?        ?        ?         ?        
1 1 1 9  35 8  o 271.9298 8.657807 741.4675   47.08631 741.4675   47.08631 ?          ?        271.9298 8.657807 ?        ?        ?         ?        
1 1 1 9  35 9  o 138.9731 6.735498 193.4510   18.72106 193.4510   18.72106 ?          ?        138.9731 6.735498 ?        ?        ?         ?        
1 1 1 9  35 10 o 414.2049 11.23092 1725.174   93.03801 1725.174   93.03801 ?          ?        414.2049 11.23092 ?        ?        ?         ?        
1 1 1 9  35 11 o 511.7873 12.58123 2646.478   128.7782 2646.478   128.7782 ?          ?        511.7873 12.58123 ?        ?        ?         ?        
1 1 1 9  35 12 o 221.4791 6.531666 492.4207   28.93255 492.4207   28.93255 ?          ?        221.4791 6.531666 ?        ?        ?         ?        
1 1 1 9  35 13 o 138.7235 6.543143 193.4510   18.15376 193.4510   18.15376 ?          ?        138.7235 6.543143 ?        ?        ?         ?        
1 1 1 9  35 14 o 62.68095 11.74738 41.41326   14.18262 41.41326   14.18262 ?          ?        62.68095 11.74738 ?        ?        ?         ?        
1 1 1 9  35 15 f 72.75340 8.967288 53.89397   13.04801 53.89397   13.04801 ?          ?        72.75340 8.967288 ?        ?        ?         ?        
1 1 1 9  35 16 o 207.1933 6.160604 433.9883   25.52872 433.9883   25.52872 ?          ?        207.1933 6.160604 ?        ?        ?         ?        
1 1 1 9  36 0  o 45.02005 19.25691 28.93255   17.58645 28.93255   17.58645 28.93255   17.58645 45.02005 19.25691 45.02005 19.25691 -0.000000 0.000000 
1 1 1 9  36 1  o 454.0522 9.370702 2065.557   85.09574 2065.557   85.09574 ?          ?        454.0522 9.370702 ?        ?        ?         ?        
1 1 1 9  36 2  o 699.7486 14.06611 4916.265   196.8548 4916.265   196.8548 ?          ?        699.7486 14.06611 ?        ?        ?         ?        
1 1 1 9  36 3  o 239.8809 5.794113 575.8145   27.79794 575.8145   27.79794 ?          ?        239.8809 5.794113 ?        ?        ?         ?        
1 1 1 9  36 4  o 467.5161 11.16369 2192.066   104.3841 2192.066   104.3841 ?          ?        467.5161 11.16369 ?        ?        ?         ?        
1 1 1 9  36 5  o 183.6120 6.951811 337.5464   25.52872 337.5464   25.52872 ?          ?        183.6120 6.951811 ?        ?        ?         ?        
1 1 1 9  36 6  o 255.3602 6.664763 652.9680   34.03830 652.9680   34.03830 ?          ?        255.3602 6.664763 ?        ?        ?         ?        
1 1 1 9  36 7  o 127.9570 6.650342 163.9511   17.01915 163.9511   17.01915 ?          ?        127.9570 6.650342 ?        ?        ?         ?        
1 1 1 9  36 8  o 113.1171 7.272040 128.2109   16.45185 128.2109   16.45185 ?          ?        113.1171 7.272040 ?        ?        ?         ?        
1 1 1 9  36 9  o 176.6647 6.261833 312.5851   22.12490 312.5851   22.12490 ?          ?        176.6647 6.261833 ?        ?        ?         ?        
1 1 1 9  36 10 o 139.9420 6.891559 196.2875   19.28837 196.2875   19.28837 ?          ?        139.9420 6.891559 ?        ?        ?         ?        
1 1 1 9  36 11 o 33.10840 14.10923 0.000000   16.45185 0.000000   16.45185 ?          ?        33.10840 14.10923 ?        ?        ?         ?        
1 1 1 9  36 12 o 241.4836 6.695359 585.4587   32.33638 585.4587   32.33638 ?          ?        241.4836 6.695359 ?        ?        ?         ?        
1 1 1 9  36 13 o 40.55423 14.42123 14.74993   14.74993 14.74993   14.74993 ?          ?        40.55423 14.42123 ?        ?        ?         ?        
1 1 1 9  36 14 o 223.6676 6.467756 503.7668   28.93255 503.7668   28.93255 ?          ?        223.6676 6.467756 ?        ?        ?         ?        
1 1 1 9  36 15 o 99.43561 7.702087 100.4130   15.31723 100.4130   15.31723 ?          ?        99.43561 7.702087 ?        ?        ?         ?        
1 1 1 9  36 16 o 170.7992 5.978652 294.9986   20.42298 294.9986   20.42298 ?          ?        170.7992 5.978652 ?        ?        ?         ?        
1 1 1 9  37 0  o 796.1166 22.66531 6385.584   360.2386 6385.584   360.2386 6385.584   360.2386 796.1166 22.66531 796.1166 22.66531 -0.000000 0.000000 
1 1 1 9  37 1  o 266.2835 6.710932 709.6985   35.74022 709.6985   35.74022 ?          ?        266.2835 6.710932 ?        ?        ?         ?        
1 1 1 9  37 2  o 590.7422 13.73266 3503.108   162.2492 3503.108   162.2492 ?          ?        590.7422 13.73266 ?        ?        ?         ?        
1 1 1 9  37 3  o 89.99493 8.510055 81.12460   15.31723 81.12460   15.31723 ?          ?        89.99493 8.510055 ?        ?        ?         ?        
1 1 1 9  37 4  o 299.8431 7.473425 900.3129   44.81709 900.3129   44.81709 ?          ?        299.8431 7.473425 ?        ?        ?         ?        
1 1 1 9  37 5  o 409.3329 10.74092 1680.925   87.93227 1680.925   87.93227 ?          ?        409.3329 10.74092 ?        ?        ?         ?        
1 1 1 9  37 6  o 227.7814 7.222647 519.6514   32.90369 519.6514   32.90369 ?          ?        227.7814 7.222647 ?        ?        ?         ?        
1 1 1 9  37 7  o 390.4027 9.590642 1528.887   74.88425 1528.887   74.88425 ?          ?        390.4027 9.590642 ?        ?        ?         ?        
1 1 1 9  37 8  o 389.1778 9.766598 1519.810   76.01886 1519.810   76.01886 ?          ?        389.1778 9.766598 ?        ?        ?         ?        
1 1 1 9  37 9  o 160.1510 6.553278 256.9891   20.99029 256.9891   20.99029 ?          ?        160.1510 6.553278 ?        ?        ?         ?        
1 1 1 9  37 10 o 324.5616 7.778207 1056.889   50.49014 1056.889   50.49014 ?          ?        324.5616 7.778207 ?        ?        ?         ?        
1 1 1 9  37 11 o 81.55400 9.738663 66.94199   15.88454 66.94199   15.88454 ?          ?        81.55400 9.738663 ?        ?        ?         ?        
1 1 1 9  37 12 o 181.2900 6.414998 330.1715   23.25950 330.1715   23.25950 ?          ?        181.2900 6.414998 ?        ?        ?         ?        
1 1 1 9  37 13 f 327.2391 8.147967 1081.283   53.32666 1081.283   53.32666 ?          ?        327.2391 8.147967 ?        ?        ?         ?        
1 1 1 9  37 14 o 82.99843 8.543912 69.77851   14.18262 69.77851   14.18262 ?          ?        82.99843 8.543912 ?        ?        ?         ?        
1 1 1 9  37 15 o 220.7963 6.680332 492.9881   29.49986 492.9881   29.49986 ?          ?        220.7963 6.680332 ?        ?        ?         ?        
1 1 1 9  37 16 o 107.4984 7.124404 117.4321   15.31723 117.4321   15.31723 ?          ?        107.4984 7.124404 ?        ?        ?         ?        
1 1 1 9  38 0  o 564.2373 16.11602 3200.167   181.5376 3200.167   181.5376 3200.167   181.5376 564.2373 16.11602 564.2373 16.11602 -0.000000 0.000000 
1 1 1 9  38 1  o 603.9344 12.16457 3659.117   146.9320 3659.117   146.9320 ?          ?        603.9344 12.16457 ?        ?        ?         ?        
1 1 1 9  38 2  o 423.2099 9.651465 1794.953   81.69191 1794.953   81.69191 ?          ?        423.2099 9.651465 ?        ?        ?         ?        
1 1 1 9  38 3  o 333.5007 8.420250 1114.187   56.16319 1114.187   56.16319 ?          ?        333.5007 8.420250 ?        ?        ?         ?        
1 1 1 9  38 4  o 257.8061 6.821581 665.4487   35.17290 665.4487   35.17290 ?          ?        257.8061 6.821581 ?        ?        ?         ?        
1 1 1 9  38 5  o 183.7721 6.174005 338.1137   22.69220 338.1137   22.69220 ?          ?        183.7721 6.174005 ?        ?        ?         ?        
1 1 1 9  38 6  o 281.7315 8.255912 795.3616   46.51900 795.3616   46.51900 ?          ?        281.7315 8.255912 ?        ?        ?         ?        
1 1 1 9  38 7  o 198.5592 6.285637 394.8442   24.96142 394.8442   24.96142 ?          ?        198.5592 6.285637 ?        ?        ?         ?        
1 1 1 9  38 8  o 150.8972 6.579205 228.0566   19.85567 228.0566   19.85567 ?          ?        150.8972 6.579205 ?        ?        ?         ?        
1 1 1 9  38 9  o 370.7767 8.950763 1379.686   66.37468 1379.686   66.37468 ?          ?        370.7767 8.950763 ?        ?        ?         ?        
1 1 1 9  38 10 o 307.7138 8.388437 950.8031   51.62476 950.8031   51.62476 ?          ?        307.7138 8.388437 ?        ?        ?         ?        
1 1 1 9  38 11 o 109.6669 7.759472 120.8360   17.01915 120.8360   17.01915 ?          ?        109.6669 7.759472 ?        ?        ?         ?        
1 1 1 9  38 12 o 155.7914 6.372518 243.9411   19.85567 243.9411   19.85567 ?          ?        155.7914 6.372518 ?        ?        ?         ?        
1 1 1 9  38 13 o 189.7978 6.426343 362.5079   24.39412 362.5079   24.39412 ?          ?        189.7978 6.426343 ?        ?        ?         ?        
1 1 1 9  38 14 o 148.6766 6.486687 222.9509   19.28837 222.9509   19.28837 ?          ?        148.6766 6.486687 ?        ?        ?         ?        
1 1 1 9  38 15 o 59.28761 11.41118 37.44213   13.04801 37.44213   13.04801 ?          ?        59.28761 11.41118 ?        ?        ?         ?        
1 1 1 9  38 16 o 68.76982 9.899197 48.78823   13.61532 48.78823   13.61532 ?          ?        68.76982 9.899197 ?        ?        ?         ?        
1 1 1 9  39 0  o 205.1213 9.306237 423.7768   38.00943 423.7768   38.00943 423.7768   38.00943 205.1213 9.306237 205.1213 9.306237 -0.000000 0.000000 
1 1 1 9  39 1  f 348.5543 8.137972 1216.869   56.73050 1216.869   56.73050 ?          ?        348.5543 8.137972 ?        ?        ?         ?        
1 1 1 9  39 2  o 80.68047 9.492529 65.24007   15.31723 65.24007   15.31723 ?          ?        80.68047 9.492529 ?        ?        ?         ?        
1 1 1 9  39 3  o 218.1874 6.240197 476.5362   27.23064 476.5362   27.23064 ?          ?        218.1874 6.240197 ?        ?        ?         ?        
1 1 1 9  39 4  o 730.0413 17.13475 5376.349   250.1815 5376.349   250.1815 ?          ?        730.0413 17.13475 ?        ?        ?         ?        
1 1 1 9  39 5  o 173.7895 6.202212 302.3735   21.55759 302.3735   21.55759 ?          ?        173.7895 6.202212 ?        ?        ?         ?        
1 1 1 9  39 6  o 446.0643 11.57339 1998.615   103.2495 1998.615   103.2495 ?          ?        446.0643 11.57339 ?        ?        ?         ?        
1 1 1 9  39 7  o 503.8691 16.26922 2563.651   163.9511 2563.651   163.9511 ?          ?        503.8691 16.26922 ?        ?        ?         ?        
1 1 1 9  39 8  o 378.4707 11.31700 1439.820   85.66305 1439.820   85.66305 ?          ?        378.4707 11.31700 ?        ?        ?         ?        
1 1 1 9  39 9  o 584.7972 15.23039 3457.157   178.1338 3457.157   178.1338 ?          ?        584.7972 15.23039 ?        ?        ?         ?        
1 1 1 9  39 10 o 426.3184 10.44605 1831.260   89.06688 1831.260   89.06688 ?          ?        426.3184 10.44605 ?        ?        ?         ?        
1 1 1 9  39 11 o 269.8835 7.252026 731.8234   39.14404 731.8234   39.14404 ?          ?        269.8835 7.252026 ?        ?        ?         ?        
1 1 1 9  39 12 o 121.2691 7.484905 148.0666   18.15376 148.0666   18.15376 ?          ?        121.2691 7.484905 ?        ?        ?         ?        
1 1 1 9  39 13 o 210.2438 6.745798 445.3344   28.36525 445.3344   28.36525 ?          ?        210.2438 6.745798 ?        ?        ?         ?        
1 1 1 9  39 14 o 229.2735 6.680768 530.9974   30.63447 530.9974   30.63447 ?          ?        229.2735 6.680768 ?        ?        ?         ?        
1 1 1 9  39 15 o 248.5929 6.960295 626.3047   34.60560 626.3047   34.60560 ?          ?        248.5929 6.960295 ?        ?        ?         ?        
1 1 1 9  39 16 o 250.1440 7.030531 636.5162   35.17290 636.5162   35.17290 ?          ?        250.1440 7.030531 ?        ?        ?         ?        
1 1 1 9  40 0  o 288.4366 10.25584 836.2075   58.99971 836.2075   58.99971 836.2075   58.99971 288.4366 10.25584 288.4366 10.25584 -0.000000 0.000000 
1 1 1 9  40 1  o 214.2536 6.354769 459.5170   27.23064 459.5170   27.23064 ?          ?        214.2536 6.354769 ?        ?        ?         ?        
1 1 1 9  40 2  o 348.5066 8.464647 1216.869   58.99971 1216.869   58.99971 ?          ?        348.5066 8.464647 ?        ?        ?         ?        
1 1 1 9  40 3  o 99.25954 8.001518 98.71106   15.88454 98.71106   15.88454 ?          ?        99.25954 8.001518 ?        ?        ?         ?        
1 1 1 9  40 4  o 897.1211 20.96279 8154.442   376.1232 8154.442   376.1232 ?          ?        897.1211 20.96279 ?        ?        ?         ?        
1 1 1 9  40 5  o 240.8318 7.184601 580.9203   34.60560 580.9203   34.60560 ?          ?        240.8318 7.184601 ?        ?        ?         ?        
1 1 1 9  40 6  o 178.0822 6.849115 317.6908   24.39412 317.6908   24.39412 ?          ?        178.0822 6.849115 ?        ?        ?         ?        
1 1 1 9  40 7  o 162.9596 7.310648 266.0660   23.82681 266.0660   23.82681 ?          ?        162.9596 7.310648 ?        ?        ?         ?        
1 1 1 9  40 8  o 208.2424 6.674419 434.5556   27.79794 434.5556   27.79794 ?          ?        208.2424 6.674419 ?        ?        ?         ?        
1 1 1 9  40 9  o 275.9986 7.605215 764.1597   41.98057 764.1597   41.98057 ?          ?        275.9986 7.605215 ?        ?        ?         ?        
1 1 1 9  40 10 o 446.8278 11.99798 2016.202   107.2206 2016.202   107.2206 ?          ?        446.8278 11.99798 ?        ?        ?         ?        
1 1 1 9  40 11 o 413.3829 12.28251 1732.549   101.5476 1732.549   101.5476 ?          ?        413.3829 12.28251 ?        ?        ?         ?        
1 1 1 9  40 12 o 99.40083 8.846231 99.84568   17.58645 99.84568   17.58645 ?          ?        99.40083 8.846231 ?        ?        ?         ?        
1 1 1 9  40 13 o 160.2701 6.548409 258.6910   20.99029 258.6910   20.99029 ?          ?        160.2701 6.548409 ?        ?        ?         ?        
1 1 1 9  40 14 f 223.8229 6.970192 506.6033   31.20177 506.6033   31.20177 ?          ?        223.8229 6.970192 ?        ?        ?         ?        
1 1 1 9  40 15 o 57.33073 13.13853 35.74022   14.74993 35.74022   14.74993 ?          ?        57.33073 13.13853 ?        ?        ?         ?        
1 1 1 9  40 16 f 165.0614 6.358326 276.2775   20.99029 276.2775   20.99029 ?          ?        165.0614 6.358326 ?        ?        ?         ?        
1 1 1 9  41 0  o 484.6216 15.36903 2363.392   148.6339 2363.392   148.6339 2363.392   148.6339 484.6216 15.36903 484.6216 15.36903 -0.000000 0.000000 
1 1 1 9  41 1  o 434.8267 9.785020 1895.933   85.09574 1895.933   85.09574 ?          ?        434.8267 9.785020 ?        ?        ?         ?        
1 1 1 9  41 2  o 226.1844 6.646604 512.2764   30.06716 512.2764   30.06716 ?          ?        226.1844 6.646604 ?        ?        ?         ?        
1 1 1 9  41 3  o 275.6150 6.998302 760.7560   38.57674 760.7560   38.57674 ?          ?        275.6150 6.998302 ?        ?        ?         ?        
1 1 1 9  41 4  o 722.4312 18.37536 5271.965   265.4987 5271.965   265.4987 ?          ?        722.4312 18.37536 ?        ?        ?         ?        
1 1 1 9  41 5  o 520.8349 13.28851 2729.304   138.4224 2729.304   138.4224 ?          ?        520.8349 13.28851 ?        ?        ?         ?        
1 1 1 9  41 6  o 325.9401 7.919363 1064.831   51.62476 1064.831   51.62476 ?          ?        325.9401 7.919363 ?        ?        ?         ?        
1 1 1 9  41 7  o 180.7801 6.433094 327.3350   23.25950 327.3350   23.25950 ?          ?        180.7801 6.433094 ?        ?        ?         ?        
1 1 1 9  41 8  o 224.8941 7.946009 507.1707   35.74022 507.1707   35.74022 ?          ?        224.8941 7.946009 ?        ?        ?         ?        
1 1 1 9  41 9  o 91.65717 10.21255 84.52843   18.72106 84.52843   18.72106 ?          ?        91.65717 10.21255 ?        ?        ?         ?        
1 1 1 9  41 10 o 149.2201 7.223418 223.5181   21.55759 223.5181   21.55759 ?          ?        149.2201 7.223418 ?        ?        ?         ?        
1 1 1 9  41 11 o 355.5989 9.253036 1277.571   65.80738 1277.571   65.80738 ?          ?        355.5989 9.253036 ?        ?        ?         ?        
1 1 1 9  41 12 o 119.3287 7.368911 143.5282   17.58645 143.5282   17.58645 ?          ?        119.3287 7.368911 ?        ?        ?         ?        
1 1 1 9  41 13 o 230.3696 7.264631 535.5359   33.47099 535.5359   33.47099 ?          ?        230.3696 7.264631 ?        ?        ?         ?        
1 1 1 9  41 14 o 106.2023 7.745522 114.5956   16.45185 114.5956   16.45185 ?          ?        106.2023 7.745522 ?        ?        ?         ?        
1 1 1 9  41 15 o 194.8581 7.132868 385.7674   27.79794 385.7674   27.79794 ?          ?        194.8581 7.132868 ?        ?        ?         ?        
1 1 1 9  42 0  f 295.3765 10.30272 877.0535   60.70163 877.0535   60.70163 877.0535   60.70163 295.3765 10.30272 295.3765 10.30272 -0.000000 0.000000 
1 1 1 9  42 1  o 167.6285 6.768598 281.3832   22.69220 281.3832   22.69220 ?          ?        167.6285 6.768598 ?        ?        ?         ?        
1 1 1 9  42 2  o 512.4979 11.45684 2636.833   117.4321 2636.833   117.4321 ?          ?        512.4979 11.45684 ?        ?        ?         ?        
1 1 1 9  42 3  o 713.4998 16.73689 5133.542   238.8354 5133.542   238.8354 ?          ?        713.4998 16.73689 ?        ?        ?         ?        
1 1 1 9  42 4  o 294.4360 7.514330 868.5439   44.24979 868.5439   44.24979 ?          ?        294.4360 7.514330 ?        ?        ?         ?        
1 1 1 9  42 5  o 233.2930 6.687252 545.1801   31.20177 545.1801   31.20177 ?          ?        233.2930 6.687252 ?        ?        ?         ?        
1 1 1 9  42 6  o 414.8870 9.503236 1726.876   78.85539 1726.876   78.85539 ?          ?        414.8870 9.503236 ?        ?        ?         ?        
1 1 1 9  42 7  o 393.1942 9.306133 1552.146   73.18234 1552.146   73.18234 ?          ?        393.1942 9.306133 ?        ?        ?         ?        
1 1 1 9  42 8  o 230.7875 6.636942 533.8340   30.63447 533.8340   30.63447 ?          ?        230.7875 6.636942 ?        ?        ?         ?        
1 1 1 9  42 9  o 57.42593 15.80868 34.60560   18.72106 34.60560   18.72106 ?          ?        57.42593 15.80868 ?        ?        ?         ?        
1 1 1 9  42 10 o 134.8079 7.574845 182.6722   20.42298 182.6722   20.42298 ?          ?        134.8079 7.574845 ?        ?        ?         ?        
1 1 1 9  42 11 o 25.77203 12.22894 -20.42298  17.01915 -20.42298  17.01915 ?          ?        25.77203 12.22894 ?        ?        ?         ?        
1 1 1 9  42 12 o 95.49603 9.504981 92.47070   18.15376 92.47070   18.15376 ?          ?        95.49603 9.504981 ?        ?        ?         ?        
1 1 1 9  42 13 o 23.62719 11.18859 -16.45185  14.18262 -16.45185  14.18262 ?          ?        23.62719 11.18859 ?        ?        ?         ?        
1 1 1 9  42 14 o 59.91605 14.36674 39.14404   17.01915 39.14404   17.01915 ?          ?        59.91605 14.36674 ?        ?        ?         ?        
1 1 1 9  42 15 o 297.7601 7.906754 904.2841   47.08631 904.2841   47.08631 ?          ?        297.7601 7.906754 ?        ?        ?         ?        
1 1 1 9  43 0  o 407.2079 13.33606 1667.876   108.3553 1667.876   108.3553 1667.876   108.3553 407.2079 13.33606 407.2079 13.33606 -0.000000 0.000000 
1 1 1 9  43 1  o 639.7408 14.09969 4116.932   180.4030 4116.932   180.4030 ?          ?        639.7408 14.09969 ?        ?        ?         ?        
1 1 1 9  43 2  o 313.0872 7.700876 982.0049   48.22092 982.0049   48.22092 ?          ?        313.0872 7.700876 ?        ?        ?         ?        
1 1 1 9  43 3  o 311.4285 7.741893 971.7934   48.22092 971.7934   48.22092 ?          ?        311.4285 7.741893 ?        ?        ?         ?        
1 1 1 9  43 4  o 338.8842 8.621295 1151.629   58.43241 1151.629   58.43241 ?          ?        338.8842 8.621295 ?        ?        ?         ?        
1 1 1 9  43 5  o 312.1344 7.633510 976.3318   47.65361 976.3318   47.65361 ?          ?        312.1344 7.633510 ?        ?        ?         ?        
1 1 1 9  43 6  o 526.0530 12.56357 2784.333   132.1821 2784.333   132.1821 ?          ?        526.0530 12.56357 ?        ?        ?         ?        
1 1 1 9  43 7  o 555.2018 12.46595 3103.725   138.4224 3103.725   138.4224 ?          ?        555.2018 12.46595 ?        ?        ?         ?        
1 1 1 9  43 8  o 353.4827 8.826959 1254.879   62.40355 1254.879   62.40355 ?          ?        353.4827 8.826959 ?        ?        ?         ?        
1 1 1 9  43 9  o 177.3151 6.878746 315.4216   24.39412 315.4216   24.39412 ?          ?        177.3151 6.878746 ?        ?        ?         ?        
1 1 1 9  43 10 o 62.08213 14.80743 40.84595   18.15376 40.84595   18.15376 ?          ?        62.08213 14.80743 ?        ?        ?         ?        
1 1 1 9  43 11 f 263.6700 7.853240 700.6216   41.41326 700.6216   41.41326 ?          ?        263.6700 7.853240 ?        ?        ?         ?        
1 1 1 9  43 12 o 246.3882 7.483073 612.6893   36.87482 612.6893   36.87482 ?          ?        246.3882 7.483073 ?        ?        ?         ?        
1 1 1 9  43 13 o 194.0493 6.431720 380.0943   24.96142 380.0943   24.96142 ?          ?        194.0493 6.431720 ?        ?        ?         ?        
1 1 1 9  43 14 o 107.7005 7.901147 117.9994   17.01915 117.9994   17.01915 ?          ?        107.7005 7.901147 ?        ?        ?         ?        
1 1 1 9  43 15 o 106.8037 7.701904 116.2975   16.45185 116.2975   16.45185 ?          ?        106.8037 7.701904 ?        ?        ?         ?        
1 1 1 9  44 0  o 31.41227 19.87024 5.105744   26.09603 5.105744   26.09603 5.105744   26.09603 31.41227 19.87024 31.41227 19.87024 -0.000000 0.000000 
1 1 1 9  44 1  o 241.4101 7.167388 583.7568   34.60560 583.7568   34.60560 ?          ?        241.4101 7.167388 ?        ?        ?         ?        
1 1 1 9  44 2  o 160.8706 7.229259 259.2584   23.25950 259.2584   23.25950 ?          ?        160.8706 7.229259 ?        ?        ?         ?        
1 1 1 9  44 3  o 615.6967 14.51210 3820.799   178.7011 3820.799   178.7011 ?          ?        615.6967 14.51210 ?        ?        ?         ?        
1 1 1 9  44 4  o 267.1024 7.221339 714.8043   38.57674 714.8043   38.57674 ?          ?        267.1024 7.221339 ?        ?        ?         ?        
1 1 1 9  44 5  o 231.6061 6.491014 537.2378   30.06716 537.2378   30.06716 ?          ?        231.6061 6.491014 ?        ?        ?         ?        
1 1 1 9  44 6  o 226.6042 6.634291 514.5456   30.06716 514.5456   30.06716 ?          ?        226.6042 6.634291 ?        ?        ?         ?        
1 1 1 9  44 7  o 284.7401 7.371736 812.9480   41.98057 812.9480   41.98057 ?          ?        284.7401 7.371736 ?        ?        ?         ?        
1 1 1 9  44 8  o 167.6593 6.767353 281.9506   22.69220 281.9506   22.69220 ?          ?        167.6593 6.767353 ?        ?        ?         ?        
1 1 1 9  44 9  o 95.23543 9.530991 91.33610   18.15376 91.33610   18.15376 ?          ?        95.23543 9.530991 ?        ?        ?         ?        
1 1 1 9  44 10 o 194.9155 8.149449 382.9308   31.76908 382.9308   31.76908 ?          ?        194.9155 8.149449 ?        ?        ?         ?        
1 1 1 9  44 11 o 32.87671 13.93155 1.134610   15.88454 1.134610   15.88454 ?          ?        32.87671 13.93155 ?        ?        ?         ?        
1 1 1 9  44 12 o 291.5454 9.534689 862.8708   55.59589 862.8708   55.59589 ?          ?        291.5454 9.534689 ?        ?        ?         ?        
1 1 1 9  44 13 o 166.5556 6.641897 280.2487   22.12490 280.2487   22.12490 ?          ?        166.5556 6.641897 ?        ?        ?         ?        
1 1 1 9  44 14 o 51.05713 14.73633 28.36525   15.88454 28.36525   15.88454 ?          ?        51.05713 14.73633 ?        ?        ?         ?        
1 1 1 9  44 15 o 168.6893 6.894183 289.3255   23.25950 289.3255   23.25950 ?          ?        168.6893 6.894183 ?        ?        ?         ?        
1 1 1 9  45 0  o 28.19300 18.70441 -4.538440  26.66333 -4.538440  26.66333 -4.538440  26.66333 28.19300 18.70441 28.19300 18.70441 -0.000000 0.000000 
1 1 1 9  45 1  o 669.6895 14.69747 4520.853   196.8548 4520.853   196.8548 ?          ?        669.6895 14.69747 ?        ?        ?         ?        
1 1 1 9  45 2  o 284.4382 7.279835 810.6788   41.41326 810.6788   41.41326 ?          ?        284.4382 7.279835 ?        ?        ?         ?        
1 1 1 9  45 3  o 160.1463 7.439076 256.9891   23.82681 256.9891   23.82681 ?          ?        160.1463 7.439076 ?        ?        ?         ?        
1 1 1 9  45 4  o 434.9716 9.977395 1898.770   86.79766 1898.770   86.79766 ?          ?        434.9716 9.977395 ?        ?        ?         ?        
1 1 1 9  45 5  o 175.1793 6.800691 307.4793   23.82681 307.4793   23.82681 ?          ?        175.1793 6.800691 ?        ?        ?         ?        
1 1 1 9  45 6  o 86.95487 11.09102 76.01886   19.28837 76.01886   19.28837 ?          ?        86.95487 11.09102 ?        ?        ?         ?        
1 1 1 9  45 7  o 149.0898 7.419988 222.9509   22.12490 222.9509   22.12490 ?          ?        149.0898 7.419988 ?        ?        ?         ?        
1 1 1 9  45 8  o 218.8489 6.869390 480.5073   30.06716 480.5073   30.06716 ?          ?        218.8489 6.869390 ?        ?        ?         ?        
1 1 1 9  45 9  o 144.3238 7.468479 209.3355   21.55759 209.3355   21.55759 ?          ?        144.3238 7.468479 ?        ?        ?         ?        
1 1 1 9  45 10 o 82.54244 11.34027 69.21120   18.72106 69.21120   18.72106 ?          ?        82.54244 11.34027 ?        ?        ?         ?        
1 1 1 9  45 11 o 55.02673 15.03987 32.33638   17.01915 32.33638   17.01915 ?          ?        55.02673 15.03987 ?        ?        ?         ?        
1 1 1 9  45 12 o 45.78703 16.89897 18.15376   20.42298 18.15376   20.42298 ?          ?        45.78703 16.89897 ?        ?        ?         ?        
1 1 1 9  45 13 f 188.8075 6.760518 360.8060   25.52872 360.8060   25.52872 ?          ?        188.8075 6.760518 ?        ?        ?         ?        
1 1 1 9  45 14 o 139.5546 7.317201 197.9895   20.42298 197.9895   20.42298 ?          ?        139.5546 7.317201 ?        ?        ?         ?        
1 1 1 9  46 0  o 26.98937 18.24019 -10.77879  27.79794 -10.77879  27.79794 -10.77879  27.79794 26.98937 18.24019 26.98937 18.24019 -0.000000 0.000000 
1 1 1 9  46 1  o 105.5439 9.406357 111.7591   19.85567 111.7591   19.85567 ?          ?        105.5439 9.406357 ?        ?        ?         ?        
1 1 1 9  46 2  o 182.3168 7.156779 333.0080   26.09603 333.0080   26.09603 ?          ?        182.3168 7.156779 ?        ?        ?         ?        
1 1 1 9  46 3  f 356.0919 8.523311 1271.330   60.70163 1271.330   60.70163 ?          ?        356.0919 8.523311 ?        ?        ?         ?        
1 1 1 9  46 4  o 506.8982 13.37408 2588.045   135.5859 2588.045   135.5859 ?          ?        506.8982 13.37408 ?        ?        ?         ?        
1 1 1 9  46 5  o 108.1313 9.705923 117.4321   20.99029 117.4321   20.99029 ?          ?        108.1313 9.705923 ?        ?        ?         ?        
1 1 1 9  46 6  o 251.0820 6.891296 631.9777   34.60560 631.9777   34.60560 ?          ?        251.0820 6.891296 ?        ?        ?         ?        
1 1 1 9  46 7  o 316.0241 8.616633 1003.562   54.46128 1003.562   54.46128 ?          ?        316.0241 8.616633 ?        ?        ?         ?        
1 1 1 9  46 8  o 237.8803 7.035260 567.8723   33.47099 567.8723   33.47099 ?          ?        237.8803 7.035260 ?        ?        ?         ?        
1 1 1 9  46 9  o 275.8173 7.301692 764.7272   40.27865 764.7272   40.27865 ?          ?        275.8173 7.301692 ?        ?        ?         ?        
1 1 1 9  46 10 o 133.2611 7.024205 178.7011   18.72106 178.7011   18.72106 ?          ?        133.2611 7.024205 ?        ?        ?         ?        
1 1 1 9  46 11 o 135.3252 7.755500 184.9414   20.99029 184.9414   20.99029 ?          ?        135.3252 7.755500 ?        ?        ?         ?        
1 1 1 9  46 12 o 44.50687 15.75497 18.72106   17.58645 18.72106   17.58645 ?          ?        44.50687 15.75497 ?        ?        ?         ?        
1 1 1 9  46 13 o 142.3906 7.171463 205.3644   20.42298 205.3644   20.42298 ?          ?        142.3906 7.171463 ?        ?        ?         ?        
1 1 1 9  46 14 o 123.3196 7.590463 154.8743   18.72106 154.8743   18.72106 ?          ?        123.3196 7.590463 ?        ?        ?         ?        
1 1 1 9  47 0  o 340.3657 12.03350 1165.812   81.69191 1165.812   81.69191 1165.812   81.69191 340.3657 12.03350 340.3657 12.03350 -0.000000 0.000000 
1 1 1 9  47 1  o 344.5747 8.231959 1190.206   56.73050 1190.206   56.73050 ?          ?        344.5747 8.231959 ?        ?        ?         ?        
1 1 1 9  47 2  o 76.77991 14.20375 61.26894   20.99029 61.26894   20.99029 ?          ?        76.77991 14.20375 ?        ?        ?         ?        
1 1 1 9  47 3  o 622.6940 13.89350 3908.164   173.0280 3908.164   173.0280 ?          ?        622.6940 13.89350 ?        ?        ?         ?        
1 1 1 9  47 4  o 257.6387 8.477469 666.0161   43.68248 666.0161   43.68248 ?          ?        257.6387 8.477469 ?        ?        ?         ?        
1 1 1 9  47 5  o 69.45755 14.37159 50.49014   19.28837 50.49014   19.28837 ?          ?        69.45755 14.37159 ?        ?        ?         ?        
1 1 1 9  47 6  o 182.2128 7.316538 333.0080   26.66333 333.0080   26.66333 ?          ?        182.2128 7.316538 ?        ?        ?         ?        
1 1 1 9  47 7  o 72.93630 13.72660 55.59589   19.28837 55.59589   19.28837 ?          ?        72.93630 13.72660 ?        ?        ?         ?        
1 1 1 9  47 8  o 241.3228 6.934901 584.8914   33.47099 584.8914   33.47099 ?          ?        241.3228 6.934901 ?        ?        ?         ?        
1 1 1 9  47 9  o 93.72080 10.59299 89.06688   19.85567 89.06688   19.85567 ?          ?        93.72080 10.59299 ?        ?        ?         ?        
1 1 1 9  47 10 o 277.9075 7.961243 779.4771   44.24979 779.4771   44.24979 ?          ?        277.9075 7.961243 ?        ?        ?         ?        
1 1 1 9  47 11 o 94.29557 9.325175 90.20149   17.58645 90.20149   17.58645 ?          ?        94.29557 9.325175 ?        ?        ?         ?        
1 1 1 9  47 12 o 416.2781 12.81035 1796.655   106.6533 1796.655   106.6533 ?          ?        416.2781 12.81035 ?        ?        ?         ?        
1 1 1 9  47 13 o 99.34187 9.137012 100.9803   18.15376 100.9803   18.15376 ?          ?        99.34187 9.137012 ?        ?        ?         ?        
1 1 1 9  47 14 o 120.4989 8.474342 148.6339   20.42298 148.6339   20.42298 ?          ?        120.4989 8.474342 ?        ?        ?         ?        
1 1 1 9  48 0  o 278.7679 10.71845 782.3135   59.56702 782.3135   59.56702 782.3135   59.56702 278.7679 10.71845 278.7679 10.71845 -0.000000 0.000000 
1 1 1 9  48 1  o 199.0880 6.838844 397.1135   27.23064 397.1135   27.23064 ?          ?        199.0880 6.838844 ?        ?        ?         ?        
1 1 1 9  48 2  o 294.1409 7.618304 867.4093   44.81709 867.4093   44.81709 ?          ?        294.1409 7.618304 ?        ?        ?         ?        
1 1 1 9  48 3  o 675.6157 14.86244 4611.622   200.8260 4611.622   200.8260 ?          ?        675.6157 14.86244 ?        ?        ?         ?        
1 1 1 9  48 4  o 231.5319 6.983137 537.2378   32.33638 537.2378   32.33638 ?          ?        231.5319 6.983137 ?        ?        ?         ?        
1 1 1 9  48 5  o 120.4964 8.709918 145.7974   20.99029 145.7974   20.99029 ?          ?        120.4964 8.709918 ?        ?        ?         ?        
1 1 1 9  48 6  f 183.0222 7.904112 336.4118   28.93255 336.4118   28.93255 ?          ?        183.0222 7.904112 ?        ?        ?         ?        
1 1 1 9  48 7  o 391.2696 9.206917 1540.233   72.04772 1540.233   72.04772 ?          ?        391.2696 9.206917 ?        ?        ?         ?        
1 1 1 9  48 8  f 316.6570 8.061947 1008.668   51.05745 1008.668   51.05745 ?          ?        316.6570 8.061947 ?        ?        ?         ?        
1 1 1 9  48 9  o 119.3288 8.082023 143.5282   19.28837 143.5282   19.28837 ?          ?        119.3288 8.082023 ?        ?        ?         ?        
1 1 1 9  48 10 o 109.7906 8.784164 121.9706   19.28837 121.9706   19.28837 ?          ?        109.7906 8.784164 ?        ?        ?         ?        
1 1 1 9  48 11 o 62.83301 14.69366 42.54787   18.15376 42.54787   18.15376 ?          ?        62.83301 14.69366 ?        ?        ?         ?        
1 1 1 9  48 12 f 210.0382 6.752404 446.4690   28.36525 446.4690   28.36525 ?          ?        210.0382 6.752404 ?        ?        ?         ?        
1 1 1 9  48 13 o 86.14454 10.53680 76.58617   18.15376 76.58617   18.15376 ?          ?        86.14454 10.53680 ?        ?        ?         ?        
1 1 1 9  48 14 o 84.84330 10.69841 74.88425   18.15376 74.88425   18.15376 ?          ?        84.84330 10.69841 ?        ?        ?         ?        
1 1 1 9  49 0  o 34.99245 22.04271 7.374964   31.76908 7.374964   31.76908 7.374964   31.76908 34.99245 22.04271 34.99245 22.04271 -0.000000 0.000000 
1 1 1 9  49 1  o 314.8128 7.838870 993.9183   49.35553 993.9183   49.35553 ?          ?        314.8128 7.838870 ?        ?        ?         ?        
1 1 1 9  49 2  o 354.9209 8.711269 1263.955   61.83624 1263.955   61.83624 ?          ?        354.9209 8.711269 ?        ?        ?         ?        
1 1 1 9  49 3  o 114.7276 9.642355 132.1821   22.12490 132.1821   22.12490 ?          ?        114.7276 9.642355 ?        ?        ?         ?        
1 1 1 9  49 4  o 183.9236 7.248480 339.2484   26.66333 339.2484   26.66333 ?          ?        183.9236 7.248480 ?        ?        ?         ?        
1 1 1 9  49 5  o 304.3242 7.922623 929.8129   48.22092 929.8129   48.22092 ?          ?        304.3242 7.922623 ?        ?        ?         ?        
1 1 1 9  49 6  o 528.4634 15.35104 2837.659   162.2492 2837.659   162.2492 ?          ?        528.4634 15.35104 ?        ?        ?         ?        
1 1 1 9  49 7  o 189.9561 7.167613 362.5079   27.23064 362.5079   27.23064 ?          ?        189.9561 7.167613 ?        ?        ?         ?        
1 1 1 9  49 8  f 192.3678 6.782847 372.1520   26.09603 372.1520   26.09603 ?          ?        192.3678 6.782847 ?        ?        ?         ?        
1 1 1 9  49 9  f 215.5039 6.844391 467.4593   29.49986 467.4593   29.49986 ?          ?        215.5039 6.844391 ?        ?        ?         ?        
1 1 1 9  49 10 o 167.7216 7.103083 283.6525   23.82681 283.6525   23.82681 ?          ?        167.7216 7.103083 ?        ?        ?         ?        
1 1 1 9  49 11 o 252.8424 7.852984 647.8623   39.71135 647.8623   39.71135 ?          ?        252.8424 7.852984 ?        ?        ?         ?        
1 1 1 9  49 12 o 42.54672 15.45465 16.45185   17.01915 16.45185   17.01915 ?          ?        42.54672 15.45465 ?        ?        ?         ?        
1 1 1 9  49 13 o 147.2171 8.092403 221.2489   23.82681 221.2489   23.82681 ?          ?        147.2171 8.092403 ?        ?        ?         ?        
1 1 1 9  50 0  o 99.77290 16.54077 106.6533   30.63447 106.6533   30.63447 106.6533   30.63447 99.77290 16.54077 99.77290 16.54077 -0.000000 0.000000 
1 1 1 9  50 1  o 142.6717 8.549040 204.2298   24.39412 204.2298   24.39412 ?          ?        142.6717 8.549040 ?        ?        ?         ?        
1 1 1 9  50 2  o 269.7029 7.677572 729.5542   41.41326 729.5542   41.41326 ?          ?        269.7029 7.677572 ?        ?        ?         ?        
1 1 1 9  50 3  o 352.1899 8.456663 1245.234   59.56702 1245.234   59.56702 ?          ?        352.1899 8.456663 ?        ?        ?         ?        
1 1 1 9  50 4  o 275.0328 7.528787 759.0541   41.41326 759.0541   41.41326 ?          ?        275.0328 7.528787 ?        ?        ?         ?        
1 1 1 9  50 5  o 342.2345 8.536897 1177.158   58.43241 1177.158   58.43241 ?          ?        342.2345 8.536897 ?        ?        ?         ?        
1 1 1 9  50 6  o 364.0052 9.428973 1334.301   68.64390 1334.301   68.64390 ?          ?        364.0052 9.428973 ?        ?        ?         ?        
1 1 1 9  50 7  o 340.6647 8.326442 1168.081   56.73050 1168.081   56.73050 ?          ?        340.6647 8.326442 ?        ?        ?         ?        
1 1 1 9  50 8  o 103.0997 10.72985 107.7879   22.12490 107.7879   22.12490 ?          ?        103.0997 10.72985 ?        ?        ?         ?        
1 1 1 9  50 9  o 261.6527 7.913783 690.9775   41.41326 690.9775   41.41326 ?          ?        261.6527 7.913783 ?        ?        ?         ?        
1 1 1 9  50 10 o 108.1684 8.915902 118.5667   19.28837 118.5667   19.28837 ?          ?        108.1684 8.915902 ?        ?        ?         ?        
1 1 1 9  50 11 o 33.02109 14.64038 -5.105744  19.28837 -5.105744  19.28837 ?          ?        33.02109 14.64038 ?        ?        ?         ?        
1 1 1 9  50 12 o 110.5546 8.723454 124.8071   19.28837 124.8071   19.28837 ?          ?        110.5546 8.723454 ?        ?        ?         ?        
1 1 1 9  50 13 o 113.9979 8.211147 132.7494   18.72106 132.7494   18.72106 ?          ?        113.9979 8.211147 ?        ?        ?         ?        
1 1 1 9  51 0  o 106.2618 15.12870 117.4321   31.20177 117.4321   31.20177 117.4321   31.20177 106.2618 15.12870 106.2618 15.12870 -0.000000 0.000000 
1 1 1 9  51 1  o 298.2293 7.799201 892.3707   46.51900 892.3707   46.51900 ?          ?        298.2293 7.799201 ?        ?        ?         ?        
1 1 1 9  51 2  o 611.3324 13.54853 3775.415   165.6530 3775.415   165.6530 ?          ?        611.3324 13.54853 ?        ?        ?         ?        
1 1 1 9  51 3  o 598.2708 13.37020 3619.973   159.9800 3619.973   159.9800 ?          ?        598.2708 13.37020 ?        ?        ?         ?        
1 1 1 9  51 4  o 84.71310 13.05872 72.61504   22.12490 72.61504   22.12490 ?          ?        84.71310 13.05872 ?        ?        ?         ?        
1 1 1 9  51 5  o 196.6200 7.213215 388.0366   28.36525 388.0366   28.36525 ?          ?        196.6200 7.213215 ?        ?        ?         ?        
1 1 1 9  51 6  o 353.5290 8.745567 1258.282   61.83624 1258.282   61.83624 ?          ?        353.5290 8.745567 ?        ?        ?         ?        
1 1 1 9  51 7  o 360.7126 9.436405 1315.580   68.07660 1315.580   68.07660 ?          ?        360.7126 9.436405 ?        ?        ?         ?        
1 1 1 9  51 8  o 93.91766 10.87281 89.63419   20.42298 89.63419   20.42298 ?          ?        93.91766 10.87281 ?        ?        ?         ?        
1 1 1 9  51 9  o 143.0372 7.535658 206.4990   21.55759 206.4990   21.55759 ?          ?        143.0372 7.535658 ?        ?        ?         ?        
1 1 1 9  51 10 o 138.0426 8.013791 192.8837   22.12490 192.8837   22.12490 ?          ?        138.0426 8.013791 ?        ?        ?         ?        
1 1 1 9  51 11 o 137.4079 7.637944 191.7491   20.99029 191.7491   20.99029 ?          ?        137.4079 7.637944 ?        ?        ?         ?        
1 1 1 9  51 12 o 176.9984 6.570541 317.1235   23.25950 317.1235   23.25950 ?          ?        176.9984 6.570541 ?        ?        ?         ?        
1 1 1 9  51 13 o 145.9681 6.995697 216.7105   20.42298 216.7105   20.42298 ?          ?        145.9681 6.995697 ?        ?        ?         ?        
1 1 1 9  52 0  o 447.3186 14.68283 2020.740   131.0475 2020.740   131.0475 2020.740   131.0475 447.3186 14.68283 447.3186 14.68283 -0.000000 0.000000 
1 1 1 9  52 1  o 282.5840 7.729116 801.6019   43.68248 801.6019   43.68248 ?          ?        282.5840 7.729116 ?        ?        ?         ?        
1 1 1 9  52 2  o 48.44727 17.82115 19.28837   22.69220 19.28837   22.69220 ?          ?        48.44727 17.82115 ?        ?        ?         ?        
1 1 1 9  52 3  o 243.9745 7.208315 597.3721   35.17290 597.3721   35.17290 ?          ?        243.9745 7.208315 ?        ?        ?         ?        
1 1 1 9  52 4  o 269.8120 7.253950 730.6888   39.14404 730.6888   39.14404 ?          ?        269.8120 7.253950 ?        ?        ?         ?        
1 1 1 9  52 5  o 168.2800 7.922311 284.7871   26.66333 284.7871   26.66333 ?          ?        168.2800 7.922311 ?        ?        ?         ?        
1 1 1 9  52 6  o 132.2927 8.576513 176.4319   22.69220 176.4319   22.69220 ?          ?        132.2927 8.576513 ?        ?        ?         ?        
1 1 1 9  52 7  o 265.4709 7.586266 709.6985   40.27865 709.6985   40.27865 ?          ?        265.4709 7.586266 ?        ?        ?         ?        
1 1 1 9  52 8  o 192.1405 7.381382 372.1520   28.36525 372.1520   28.36525 ?          ?        192.1405 7.381382 ?        ?        ?         ?        
1 1 1 9  52 9  o 192.2320 7.820540 373.2867   30.06716 373.2867   30.06716 ?          ?        192.2320 7.820540 ?        ?        ?         ?        
1 1 1 9  52 10 o 116.3974 8.772956 137.8551   20.42298 137.8551   20.42298 ?          ?        116.3974 8.772956 ?        ?        ?         ?        
1 1 1 9  52 11 o 292.3633 8.052708 868.5439   47.08631 868.5439   47.08631 ?          ?        292.3633 8.052708 ?        ?        ?         ?        
1 1 1 9  52 12 o 68.19680 14.19487 51.05745   18.72106 51.05745   18.72106 ?          ?        68.19680 14.19487 ?        ?        ?         ?        
1 1 1 9  52 13 o 131.5334 8.194717 176.9992   21.55759 176.9992   21.55759 ?          ?        131.5334 8.194717 ?        ?        ?         ?        
1 1 1 9  53 0  o 66.94446 24.12057 60.13433   29.49986 60.13433   29.49986 60.13433   29.49986 66.94446 24.12057 66.94446 24.12057 -0.000000 0.000000 
1 1 1 9  53 1  o 231.9654 7.336934 540.0743   34.03830 540.0743   34.03830 ?          ?        231.9654 7.336934 ?        ?        ?         ?        
1 1 1 9  53 2  o 275.3016 7.418401 760.7560   40.84595 760.7560   40.84595 ?          ?        275.3016 7.418401 ?        ?        ?         ?        
1 1 1 9  53 3  o 131.3215 9.503934 173.5953   24.96142 173.5953   24.96142 ?          ?        131.3215 9.503934 ?        ?        ?         ?        
1 1 1 9  53 4  o 109.8015 11.36661 121.9706   24.96142 121.9706   24.96142 ?          ?        109.8015 11.36661 ?        ?        ?         ?        
1 1 1 9  53 5  o 324.0743 8.052484 1056.889   52.19205 1056.889   52.19205 ?          ?        324.0743 8.052484 ?        ?        ?         ?        
1 1 1 9  53 6  o 69.66283 14.70775 51.62476   19.85567 51.62476   19.85567 ?          ?        69.66283 14.70775 ?        ?        ?         ?        
1 1 1 9  53 7  o 402.6316 9.722051 1642.915   78.28809 1642.915   78.28809 ?          ?        402.6316 9.722051 ?        ?        ?         ?        
1 1 1 9  53 8  o 119.5248 8.780725 144.6628   20.99029 144.6628   20.99029 ?          ?        119.5248 8.780725 ?        ?        ?         ?        
1 1 1 9  53 9  o 90.07964 10.70629 82.82652   19.28837 82.82652   19.28837 ?          ?        90.07964 10.70629 ?        ?        ?         ?        
1 1 1 9  53 10 o 322.5625 9.497219 1063.130   61.26894 1063.130   61.26894 ?          ?        322.5625 9.497219 ?        ?        ?         ?        
1 1 1 9  53 11 o 407.5390 11.48422 1721.771   93.60532 1721.771   93.60532 ?          ?        407.5390 11.48422 ?        ?        ?         ?        
1 1 1 9  53 12 o 140.4000 7.677202 200.8260   21.55759 200.8260   21.55759 ?          ?        140.4000 7.677202 ?        ?        ?         ?        
1 1 1 9  54 0  o 116.7771 14.45149 143.5282   32.90369 143.5282   32.90369 143.5282   32.90369 116.7771 14.45149 116.7771 14.45149 -0.000000 0.000000 
1 1 1 9  54 1  o 478.1498 10.91542 2306.662   104.3841 2306.662   104.3841 ?          ?        478.1498 10.91542 ?        ?        ?         ?        
1 1 1 9  54 2  o 188.0016 7.543884 355.1329   28.36525 355.1329   28.36525 ?          ?        188.0016 7.543884 ?        ?        ?         ?        
1 1 1 9  54 3  o 303.4378 7.852286 925.8417   47.65361 925.8417   47.65361 ?          ?        303.4378 7.852286 ?        ?        ?         ?        
1 1 1 9  54 4  o 120.0716 8.740737 145.2301   20.99029 145.2301   20.99029 ?          ?        120.0716 8.740737 ?        ?        ?         ?        
1 1 1 9  54 5  o 80.62121 13.01784 66.37468   20.99029 66.37468   20.99029 ?          ?        80.62121 13.01784 ?        ?        ?         ?        
1 1 1 9  54 6  o 74.10647 13.51499 57.86510   19.28837 57.86510   19.28837 ?          ?        74.10647 13.51499 ?        ?        ?         ?        
1 1 1 9  54 7  o 135.3145 8.175363 184.9414   22.12490 184.9414   22.12490 ?          ?        135.3145 8.175363 ?        ?        ?         ?        
1 1 1 9  54 8  o 122.1352 8.360807 150.9031   20.42298 150.9031   20.42298 ?          ?        122.1352 8.360807 ?        ?        ?         ?        
1 1 1 9  54 9  o 223.4378 7.109155 504.9014   31.76908 504.9014   31.76908 ?          ?        223.4378 7.109155 ?        ?        ?         ?        
1 1 1 9  54 10 f 133.5836 8.281289 181.5376   22.12490 181.5376   22.12490 ?          ?        133.5836 8.281289 ?        ?        ?         ?        
1 1 1 9  54 11 o 220.6120 7.714515 495.2573   34.03830 495.2573   34.03830 ?          ?        220.6120 7.714515 ?        ?        ?         ?        
1 1 1 9  54 12 o 124.1197 8.227130 157.7108   20.42298 157.7108   20.42298 ?          ?        124.1197 8.227130 ?        ?        ?         ?        
1 1 1 9  55 0  o 111.1464 14.69688 131.0475   31.76908 131.0475   31.76908 131.0475   31.76908 111.1464 14.69688 111.1464 14.69688 -0.000000 0.000000 
1 1 1 9  55 1  f 461.7047 10.56698 2152.922   97.57646 2152.922   97.57646 ?          ?        461.7047 10.56698 ?        ?        ?         ?        
1 1 1 9  55 2  o 179.9810 7.722466 325.6331   27.79794 325.6331   27.79794 ?          ?        179.9810 7.722466 ?        ?        ?         ?        
1 1 1 9  55 3  o 116.7482 10.44732 137.8551   24.39412 137.8551   24.39412 ?          ?        116.7482 10.44732 ?        ?        ?         ?        
1 1 1 9  55 4  o 98.47884 9.793155 98.14376   19.28837 98.14376   19.28837 ?          ?        98.47884 9.793155 ?        ?        ?         ?        
1 1 1 9  55 5  o 89.26700 12.07478 81.12460   21.55759 81.12460   21.55759 ?          ?        89.26700 12.07478 ?        ?        ?         ?        
1 1 1 9  55 6  o 219.1053 7.379187 483.9111   32.33638 483.9111   32.33638 ?          ?        219.1053 7.379187 ?        ?        ?         ?        
1 1 1 9  55 7  f 51.21104 17.71537 25.52872   22.12490 25.52872   22.12490 ?          ?        51.21104 17.71537 ?        ?        ?         ?        
1 1 1 9  55 8  o 144.4193 8.052771 211.0374   23.25950 211.0374   23.25950 ?          ?        144.4193 8.052771 ?        ?        ?         ?        
1 1 1 9  55 9  o 302.3704 8.724293 930.3802   52.75936 930.3802   52.75936 ?          ?        302.3704 8.724293 ?        ?        ?         ?        
1 1 1 9  55 10 o 192.8668 7.206514 377.2578   27.79794 377.2578   27.79794 ?          ?        192.8668 7.206514 ?        ?        ?         ?        
1 1 1 9  55 11 o 160.5938 7.594974 262.6622   24.39412 262.6622   24.39412 ?          ?        160.5938 7.594974 ?        ?        ?         ?        
1 1 1 9  55 12 f 205.1525 7.189738 428.3152   29.49986 428.3152   29.49986 ?          ?        205.1525 7.189738 ?        ?        ?         ?        
1 1 1 9  56 0  o 77.30179 22.04284 73.74965   29.49986 73.74965   29.49986 73.74965   29.49986 77.30179 22.04284 77.30179 22.04284 -0.000000 0.000000 
1 1 1 9  56 1  o 135.1554 9.234338 184.3741   24.96142 184.3741   24.96142 ?          ?        135.1554 9.234338 ?        ?        ?         ?        
1 1 1 9  56 2  o 98.84901 11.47821 99.27837   22.69220 99.27837   22.69220 ?          ?        98.84901 11.47821 ?        ?        ?         ?        
1 1 1 9  56 3  o 272.0036 8.551175 746.5733   46.51900 746.5733   46.51900 ?          ?        272.0036 8.551175 ?        ?        ?         ?        
1 1 1 9  56 4  o 54.68774 17.47901 30.63447   21.55759 30.63447   21.55759 ?          ?        54.68774 17.47901 ?        ?        ?         ?        
1 1 1 9  56 5  o 297.2405 8.016003 891.8034   47.65361 891.8034   47.65361 ?          ?        297.2405 8.016003 ?        ?        ?         ?        
1 1 1 9  56 6  o 133.3664 8.294777 179.8357   22.12490 179.8357   22.12490 ?          ?        133.3664 8.294777 ?        ?        ?         ?        
1 1 1 9  56 7  o 253.8932 7.485319 650.6988   38.00943 650.6988   38.00943 ?          ?        253.8932 7.485319 ?        ?        ?         ?        
1 1 1 9  56 8  o 154.9718 7.687465 243.3738   23.82681 243.3738   23.82681 ?          ?        154.9718 7.687465 ?        ?        ?         ?        
1 1 1 9  56 9  o 170.2457 7.330997 293.8640   24.96142 293.8640   24.96142 ?          ?        170.2457 7.330997 ?        ?        ?         ?        
1 1 1 9  56 10 o 101.5964 10.88862 106.6533   22.12490 106.6533   22.12490 ?          ?        101.5964 10.88862 ?        ?        ?         ?        
1 1 1 9  56 11 o 206.5349 7.278956 433.9883   30.06716 433.9883   30.06716 ?          ?        206.5349 7.278956 ?        ?        ?         ?        
1 1 1 9  57 0  o 326.3773 11.50328 1077.879   74.88425 1077.879   74.88425 1077.879   74.88425 326.3773 11.50328 326.3773 11.50328 -0.000000 0.000000 
1 1 1 9  57 1  o 307.7126 7.927564 954.2070   48.78823 954.2070   48.78823 ?          ?        307.7126 7.927564 ?        ?        ?         ?        
1 1 1 9  57 2  o 78.12664 15.06013 64.67276   22.69220 64.67276   22.69220 ?          ?        78.12664 15.06013 ?        ?        ?         ?        
1 1 1 9  57 3  o 249.8143 7.493991 628.5739   37.44213 628.5739   37.44213 ?          ?        249.8143 7.493991 ?        ?        ?         ?        
1 1 1 9  57 4  o 74.14563 15.77435 58.99971   22.69220 58.99971   22.69220 ?          ?        74.14563 15.77435 ?        ?        ?         ?        
1 1 1 9  57 5  o 163.1308 8.172378 268.9026   26.66333 268.9026   26.66333 ?          ?        163.1308 8.172378 ?        ?        ?         ?        
1 1 1 9  57 6  o 118.4756 9.337319 142.3935   22.12490 142.3935   22.12490 ?          ?        118.4756 9.337319 ?        ?        ?         ?        
1 1 1 9  57 7  o 192.5805 7.511806 374.9886   28.93255 374.9886   28.93255 ?          ?        192.5805 7.511806 ?        ?        ?         ?        
1 1 1 9  57 8  o 62.21273 15.89728 42.54787   19.85567 42.54787   19.85567 ?          ?        62.21273 15.89728 ?        ?        ?         ?        
1 1 1 9  57 9  o 116.5213 8.520187 138.4224   19.85567 138.4224   19.85567 ?          ?        116.5213 8.520187 ?        ?        ?         ?        
1 1 1 9  57 10 o 105.7598 9.655363 115.1629   20.42298 115.1629   20.42298 ?          ?        105.7598 9.655363 ?        ?        ?         ?        
1 1 1 9  57 11 o 126.8044 8.724022 165.0858   22.12490 165.0858   22.12490 ?          ?        126.8044 8.724022 ?        ?        ?         ?        
1 1 1 9  58 0  o 456.3324 15.26647 2120.586   138.9897 2120.586   138.9897 2120.586   138.9897 456.3324 15.26647 456.3324 15.26647 -0.000000 0.000000 
1 1 1 9  58 1  o 40.07878 16.56044 5.673049   21.55759 5.673049   21.55759 ?          ?        40.07878 16.56044 ?        ?        ?         ?        
1 1 1 9  58 2  o 164.0015 7.610117 271.1718   24.96142 271.1718   24.96142 ?          ?        164.0015 7.610117 ?        ?        ?         ?        
1 1 1 9  58 3  o 230.0326 7.275272 533.2667   33.47099 533.2667   33.47099 ?          ?        230.0326 7.275272 ?        ?        ?         ?        
1 1 1 9  58 4  o 318.9567 8.359547 1028.524   53.32666 1028.524   53.32666 ?          ?        318.9567 8.359547 ?        ?        ?         ?        
1 1 1 9  58 5  o 241.3558 8.461774 589.4299   40.84595 589.4299   40.84595 ?          ?        241.3558 8.461774 ?        ?        ?         ?        
1 1 1 9  58 6  o 106.0144 10.43485 114.5956   22.12490 114.5956   22.12490 ?          ?        106.0144 10.43485 ?        ?        ?         ?        
1 1 1 9  58 7  o 181.8513 7.331079 334.7099   26.66333 334.7099   26.66333 ?          ?        181.8513 7.331079 ?        ?        ?         ?        
1 1 1 9  58 8  o 105.8673 10.44935 115.1629   22.12490 115.1629   22.12490 ?          ?        105.8673 10.44935 ?        ?        ?         ?        
1 1 1 9  58 9  o 155.7656 7.830393 246.7777   24.39412 246.7777   24.39412 ?          ?        155.7656 7.830393 ?        ?        ?         ?        
1 1 1 9  58 10 o 30.88480 14.30241 -14.74993  20.99029 -14.74993  20.99029 ?          ?        30.88480 14.30241 ?        ?        ?         ?        
1 1 1 9  59 0  o 354.2546 14.62674 1280.975   103.2495 1280.975   103.2495 1280.975   103.2495 354.2546 14.62674 354.2546 14.62674 -0.000000 0.000000 
1 1 1 9  59 1  o 229.2854 7.793827 530.4301   35.74022 530.4301   35.74022 ?          ?        229.2854 7.793827 ?        ?        ?         ?        
1 1 1 9  59 2  o 158.6102 8.226466 254.1526   26.09603 254.1526   26.09603 ?          ?        158.6102 8.226466 ?        ?        ?         ?        
1 1 1 9  59 3  o 182.4863 7.927321 336.4118   28.93255 336.4118   28.93255 ?          ?        182.4863 7.927321 ?        ?        ?         ?        
1 1 1 9  59 4  o 71.86047 15.44342 55.59589   21.55759 55.59589   21.55759 ?          ?        71.86047 15.44342 ?        ?        ?         ?        
1 1 1 9  59 5  o 173.5013 9.482260 305.7773   32.90369 305.7773   32.90369 ?          ?        173.5013 9.482260 ?        ?        ?         ?        
1 1 1 9  59 6  o 97.93771 12.45389 99.27837   24.39412 99.27837   24.39412 ?          ?        97.93771 12.45389 ?        ?        ?         ?        
1 1 1 9  59 7  o 109.7475 10.07990 123.6725   22.12490 123.6725   22.12490 ?          ?        109.7475 10.07990 ?        ?        ?         ?        
1 1 1 9  59 8  o 102.1475 9.996807 107.2206   20.42298 107.2206   20.42298 ?          ?        102.1475 9.996807 ?        ?        ?         ?        
1 1 1 9  59 9  o 281.6461 8.459841 811.2461   47.65361 811.2461   47.65361 ?          ?        281.6461 8.459841 ?        ?        ?         ?        
1 1 1 9  59 10 o 35.57124 15.73703 -3.403830  22.12490 -3.403830  22.12490 ?          ?        35.57124 15.73703 ?        ?        ?         ?        
1 1 1 9  60 0  o 26.27829 18.25980 -21.55759  31.76908 -21.55759  31.76908 -21.55759  31.76908 26.27829 18.25980 26.27829 18.25980 -0.000000 0.000000 
1 1 1 9  60 1  o 177.8613 7.655021 319.3927   27.23064 319.3927   27.23064 ?          ?        177.8613 7.655021 ?        ?        ?         ?        
1 1 1 9  60 2  o 80.64066 14.60688 69.21120   22.69220 69.21120   22.69220 ?          ?        80.64066 14.60688 ?        ?        ?         ?        
1 1 1 9  60 3  o 239.5146 7.224111 578.6511   34.60560 578.6511   34.60560 ?          ?        239.5146 7.224111 ?        ?        ?         ?        
1 1 1 9  60 4  o 43.83105 17.07337 13.61532   21.55759 13.61532   21.55759 ?          ?        43.83105 17.07337 ?        ?        ?         ?        
1 1 1 9  60 5  o 112.5352 9.830210 129.3455   22.12490 129.3455   22.12490 ?          ?        112.5352 9.830210 ?        ?        ?         ?        
1 1 1 9  60 6  o 113.0484 10.28741 131.0475   23.25950 131.0475   23.25950 ?          ?        113.0484 10.28741 ?        ?        ?         ?        
1 1 1 9  60 7  o 132.7112 9.190678 179.8357   24.39412 179.8357   24.39412 ?          ?        132.7112 9.190678 ?        ?        ?         ?        
1 1 1 9  60 8  o 247.1016 7.576262 620.6317   37.44213 620.6317   37.44213 ?          ?        247.1016 7.576262 ?        ?        ?         ?        
1 1 1 9  60 9  o 96.29333 11.19371 96.44185   21.55759 96.44185   21.55759 ?          ?        96.29333 11.19371 ?        ?        ?         ?        
1 1 1 9  61 0  o 162.4093 12.00724 271.1718   38.57674 271.1718   38.57674 271.1718   38.57674 162.4093 12.00724 162.4093 12.00724 -0.000000 0.000000 
1 1 1 9  61 1  o 160.9712 8.282020 262.0949   26.66333 262.0949   26.66333 ?          ?        160.9712 8.282020 ?        ?        ?         ?        
1 1 1 9  61 2  f 128.4648 9.052873 167.3549   23.25950 167.3549   23.25950 ?          ?        128.4648 9.052873 ?        ?        ?         ?        
1 1 1 9  61 3  o 80.83118 15.64801 70.34581   24.39412 70.34581   24.39412 ?          ?        80.83118 15.64801 ?        ?        ?         ?        
1 1 1 9  61 4  o 41.39602 16.61979 10.21149   20.99029 10.21149   20.99029 ?          ?        41.39602 16.61979 ?        ?        ?         ?        
1 1 1 9  61 5  o 119.3076 10.22320 145.7974   24.39412 145.7974   24.39412 ?          ?        119.3076 10.22320 ?        ?        ?         ?        
1 1 1 9  61 6  o 102.3433 10.80916 107.7879   22.12490 107.7879   22.12490 ?          ?        102.3433 10.80916 ?        ?        ?         ?        
1 1 1 9  61 7  o 89.00116 11.79214 82.25922   20.99029 82.25922   20.99029 ?          ?        89.00116 11.79214 ?        ?        ?         ?        
1 1 1 9  61 8  o 159.5670 7.999374 259.8257   25.52872 259.8257   25.52872 ?          ?        159.5670 7.999374 ?        ?        ?         ?        
1 1 1 9  61 9  o 183.8795 7.867261 345.4887   28.93255 345.4887   28.93255 ?          ?        183.8795 7.867261 ?        ?        ?         ?        
1 1 1 9  62 0  o 31.48923 20.84843 -2.836525  32.90369 -2.836525  32.90369 -2.836525  32.90369 31.48923 20.84843 31.48923 20.84843 -0.000000 0.000000 
1 1 1 9  62 1  o 197.1111 7.770865 393.1424   30.63447 393.1424   30.63447 ?          ?        197.1111 7.770865 ?        ?        ?         ?        
1 1 1 9  62 2  o 203.0575 7.682989 417.5364   31.20177 417.5364   31.20177 ?          ?        203.0575 7.682989 ?        ?        ?         ?        
1 1 1 9  62 3  o 58.63990 17.79582 37.44213   22.69220 37.44213   22.69220 ?          ?        58.63990 17.79582 ?        ?        ?         ?        
1 1 1 9  62 4  o 143.8506 8.478973 210.4701   24.39412 210.4701   24.39412 ?          ?        143.8506 8.478973 ?        ?        ?         ?        
1 1 1 9  62 5  f 68.39046 17.37827 52.19205   23.82681 52.19205   23.82681 ?          ?        68.39046 17.37827 ?        ?        ?         ?        
1 1 1 9  62 6  o 143.3770 8.704821 209.9028   24.96142 209.9028   24.96142 ?          ?        143.3770 8.704821 ?        ?        ?         ?        
1 1 1 9  62 7  o 178.5624 7.942671 325.0657   28.36525 325.0657   28.36525 ?          ?        178.5624 7.942671 ?        ?        ?         ?        
1 1 1 9  62 8  o 87.56492 13.28129 81.12460   23.25950 81.12460   23.25950 ?          ?        87.56492 13.28129 ?        ?        ?         ?        
1 1 1 9  63 0  o 43.86591 25.43061 27.79794   35.74022 27.79794   35.74022 27.79794   35.74022 43.86591 25.43061 43.86591 25.43061 -0.000000 0.000000 
1 1 1 9  63 1  o 286.2249 7.829000 830.5344   44.81709 830.5344   44.81709 ?          ?        286.2249 7.829000 ?        ?        ?         ?        
1 1 1 9  63 2  o 62.14108 18.08490 42.54787   23.82681 42.54787   23.82681 ?          ?        62.14108 18.08490 ?        ?        ?         ?        
1 1 1 9  63 3  o 106.8304 11.41721 117.9994   24.39412 117.9994   24.39412 ?          ?        106.8304 11.41721 ?        ?        ?         ?        
1 1 1 9  63 4  o 127.1911 9.812567 165.6530   24.96142 165.6530   24.96142 ?          ?        127.1911 9.812567 ?        ?        ?         ?        
1 1 1 9  63 5  o 41.50919 17.17963 7.942269   23.25950 7.942269   23.25950 ?          ?        41.50919 17.17963 ?        ?        ?         ?        
1 1 1 9  63 6  o 142.5390 9.153998 208.2009   26.09603 208.2009   26.09603 ?          ?        142.5390 9.153998 ?        ?        ?         ?        
1 1 1 9  63 7  o 229.2107 7.796366 535.5359   35.74022 535.5359   35.74022 ?          ?        229.2107 7.796366 ?        ?        ?         ?        
1 1 1 9  63 8  o 141.1070 9.045873 204.7971   25.52872 204.7971   25.52872 ?          ?        141.1070 9.045873 ?        ?        ?         ?        
1 1 1 9  64 0  o 273.7327 11.33708 765.8617   61.83624 765.8617   61.83624 765.8617   61.83624 273.7327 11.33708 273.7327 11.33708 -0.000000 0.000000 
1 1 1 9  64 1  o 35.04314 15.77802 -8.509575  23.25950 -8.509575  23.25950 ?          ?        35.04314 15.77802 ?        ?        ?         ?        
1 1 1 9  64 2  f 130.5238 9.996655 174.7299   26.09603 174.7299   26.09603 ?          ?        130.5238 9.996655 ?        ?        ?         ?        
1 1 1 9  64 3  o 124.9365 9.989641 159.9800   24.96142 159.9800   24.96142 ?          ?        124.9365 9.989641 ?        ?        ?         ?        
1 1 1 9  64 4  o 36.68003 16.34707 -6.240355  24.39412 -6.240355  24.39412 ?          ?        36.68003 16.34707 ?        ?        ?         ?        
1 1 1 9  64 5  o 211.7828 7.902199 456.6805   33.47099 456.6805   33.47099 ?          ?        211.7828 7.902199 ?        ?        ?         ?        
1 1 1 9  64 6  o 85.00988 13.68047 76.58617   23.25950 76.58617   23.25950 ?          ?        85.00988 13.68047 ?        ?        ?         ?        
1 1 1 9  64 7  o 163.1023 7.825984 271.7391   25.52872 271.7391   25.52872 ?          ?        163.1023 7.825984 ?        ?        ?         ?        
1 1 1 9  65 0  o 84.93079 22.47582 89.06688   32.90369 89.06688   32.90369 89.06688   32.90369 84.93079 22.47582 84.93079 22.47582 -0.000000 0.000000 
1 1 1 9  65 1  f 76.44102 17.44715 65.24007   26.09603 65.24007   26.09603 ?          ?        76.44102 17.44715 ?        ?        ?         ?        
1 1 1 9  65 2  o 109.7567 12.14656 125.3744   26.66333 125.3744   26.66333 ?          ?        109.7567 12.14656 ?        ?        ?         ?        
1 1 1 9  65 3  o 105.9122 10.71274 115.7302   22.69220 115.7302   22.69220 ?          ?        105.9122 10.71274 ?        ?        ?         ?        
1 1 1 9  65 4  o 59.56628 18.00490 39.71135   23.25950 39.71135   23.25950 ?          ?        59.56628 18.00490 ?        ?        ?         ?        
1 1 1 9  65 5  f 110.7540 11.26885 127.6436   24.96142 127.6436   24.96142 ?          ?        110.7540 11.26885 ?        ?        ?         ?        
1 1 1 9  65 6  o 34.79048 15.79473 -9.644185  23.82681 -9.644185  23.82681 ?          ?        34.79048 15.79473 ?        ?        ?         ?        
1 1 1 9  66 0  o 60.24908 27.48801 57.29780   35.74022 57.29780   35.74022 57.29780   35.74022 60.24908 27.48801 60.24908 27.48801 -0.000000 0.000000 
1 1 1 9  66 1  o 124.3639 10.49180 159.4127   26.09603 159.4127   26.09603 ?          ?        124.3639 10.49180 ?        ?        ?         ?        
1 1 1 9  66 2  o 48.32378 17.40929 22.69220   21.55759 22.69220   21.55759 ?          ?        48.32378 17.40929 ?        ?        ?         ?        
1 1 1 9  66 3  o 102.4433 12.45993 110.0572   25.52872 110.0572   25.52872 ?          ?        102.4433 12.45993 ?        ?        ?         ?        
1 1 1 9  66 4  o 220.4594 7.719857 495.2573   34.03830 495.2573   34.03830 ?          ?        220.4594 7.719857 ?        ?        ?         ?        
1 1 1 9  66 5  o 212.5479 7.606846 460.6516   32.33638 460.6516   32.33638 ?          ?        212.5479 7.606846 ?        ?        ?         ?        
1 1 1 9  66 6  o 137.4473 8.873988 194.0183   24.39412 194.0183   24.39412 ?          ?        137.4473 8.873988 ?        ?        ?         ?        
1 1 1 9  67 0  o 311.7170 11.95887 997.8894   74.31695 997.8894   74.31695 997.8894   74.31695 311.7170 11.95887 311.7170 11.95887 -0.000000 0.000000 
1 1 1 9  67 1  o 87.78484 14.54051 82.25922   25.52872 82.25922   25.52872 ?          ?        87.78484 14.54051 ?        ?        ?         ?        
1 1 1 9  67 2  o 116.6418 10.94321 141.2589   25.52872 141.2589   25.52872 ?          ?        116.6418 10.94321 ?        ?        ?         ?        
1 1 1 9  67 3  o 109.7733 11.88632 125.9417   26.09603 125.9417   26.09603 ?          ?        109.7733 11.88632 ?        ?        ?         ?        
1 1 1 9  67 4  o 115.3591 11.31078 138.9897   26.09603 138.9897   26.09603 ?          ?        115.3591 11.31078 ?        ?        ?         ?        
1 1 1 9  67 5  o 33.20370 15.39245 -16.45185  24.39412 -16.45185  24.39412 ?          ?        33.20370 15.39245 ?        ?        ?         ?        
1 1 1 9  68 0  o 32.91933 21.28010 5.105744   31.76908 5.105744   31.76908 5.105744   31.76908 32.91933 21.28010 32.91933 21.28010 -0.000000 0.000000 
1 1 1 9  68 1  o 78.22989 15.78194 68.07660   23.82681 68.07660   23.82681 ?          ?        78.22989 15.78194 ?        ?        ?         ?        
1 1 1 9  68 2  o 124.8383 10.45193 161.6819   26.09603 161.6819   26.09603 ?          ?        124.8383 10.45193 ?        ?        ?         ?        
1 1 1 9  68 3  o 76.71048 17.08379 66.94199   25.52872 66.94199   25.52872 ?          ?        76.71048 17.08379 ?        ?        ?         ?        
1 1 1 9  69 0  o 151.4995 13.30120 241.6719   39.71135 241.6719   39.71135 241.6719   39.71135 151.4995 13.30120 151.4995 13.30120 -0.000000 0.000000 
1 1 1 9  69 1  o 66.72161 17.59987 51.05745   23.82681 51.05745   23.82681 ?          ?        66.72161 17.59987 ?        ?        ?         ?        
1 1 1 9  69 2  o 66.29961 19.34596 51.05745   27.23064 51.05745   27.23064 ?          ?        66.29961 19.34596 ?        ?        ?         ?        
1 1 1 10 0  0  o 409.7543 18.00412 1690.569   146.9320 1690.569   146.9320 1690.569   146.9320 409.7543 18.00412 409.7543 18.00412 -0.000000 0.000000 
1 1 1 10 0  1  o 526.6505 16.13742 2787.169   169.6242 2787.169   169.6242 2787.169   169.6242 526.6505 16.13742 526.6505 16.13742 -0.000000 0.000000 
1 1 1 10 0  2  o 331.6523 8.994980 1103.408   59.56702 1103.408   59.56702 1103.408   59.56702 331.6523 8.994980 331.6523 8.994980 -0.000000 0.000000 
1 1 1 10 0  3  o 641.4301 13.58970 4129.413   174.1626 4129.413   174.1626 4129.413   174.1626 641.4301 13.58970 641.4301 13.58970 -0.000000 0.000000 
1 1 1 10 0  4  o 60.51962 8.728829 38.00943   10.21149 38.00943   10.21149 38.00943   10.21149 60.51962 8.728829 60.51962 8.728829 -0.000000 0.000000 
1 1 1 10 0  5  o 344.8725 10.96341 1195.312   75.45156 1195.312   75.45156 1195.312   75.45156 344.8725 10.96341 344.8725 10.96341 -0.000000 0.000000 
1 1 1 10 0  6  o 350.2537 7.945609 1229.917   55.59589 1229.917   55.59589 1229.917   55.59589 350.2537 7.945609 350.2537 7.945609 -0.000000 0.000000 
1 1 1 10 0  7  o 67.54884 8.843236 46.51900   11.91340 46.51900   11.91340 46.51900   11.91340 67.54884 8.843236 67.54884 8.843236 -0.000000 0.000000 
1 1 1 10 0  8  o 371.6172 15.70811 1393.301   116.2975 1393.301   116.2975 1393.301   116.2975 371.6172 15.70811 371.6172 15.70811 -0.000000 0.000000 
1 1 1 10 0  9  o 32.98016 15.09292 15.88454   10.77879 15.88454   10.77879 15.88454   10.77879 32.98016 15.09292 32.98016 15.09292 -0.000000 0.000000 
1 1 1 10 0  10 o 489.5919 14.16267 2408.209   138.4224 2408.209   138.4224 2408.209   138.4224 489.5919 14.16267 489.5919 14.16267 -0.000000 0.000000 
1 1 1 10 0  11 o 169.9844 7.879149 291.0274   26.66333 291.0274   26.66333 291.0274   26.66333 169.9844 7.879149 169.9844 7.879149 -0.000000 0.000000 
1 1 1 10 0  12 o 186.2374 7.643219 348.8925   28.36525 348.8925   28.36525 348.8925   28.36525 186.2374 7.643219 186.2374 7.643219 -0.000000 0.000000 
1 1 1 10 0  13 o 65.37498 18.08322 51.62476   20.42298 51.62476   20.42298 51.62476   20.42298 65.37498 18.08322 65.37498 18.08322 -0.000000 0.000000 
1 1 1 10 0  14 o 28.20060 17.12460 7.942269   17.58645 7.942269   17.58645 7.942269   17.58645 28.20060 17.12460 28.20060 17.12460 -0.000000 0.000000 
1 1 1 10 0  15 o 350.1759 11.77460 1236.157   82.25922 1236.157   82.25922 1236.157   82.25922 350.1759 11.77460 350.1759 11.77460 -0.000000 0.000000 
1 1 1 10 0  16 o 27.13574 17.02540 5.105744   18.72106 5.105744   18.72106 5.105744   18.72106 27.13574 17.02540 27.13574 17.02540 -0.000000 0.000000 
1 1 1 10 0  17 o 168.4965 8.975939 288.1909   30.06716 288.1909   30.06716 288.1909   30.06716 168.4965 8.975939 168.4965 8.975939 -0.000000 0.000000 
1 1 1 10 0  18 o 25.11782 16.36554 0.5673050  19.28837 0.5673050  19.28837 0.5673050  19.28837 25.11782 16.36554 25.11782 16.36554 -0.000000 0.000000 
1 1 1 10 0  19 o 274.9043 10.45432 772.1021   57.29780 772.1021   57.29780 772.1021   57.29780 274.9043 10.45432 274.9043 10.45432 -0.000000 0.000000 
1 1 1 10 1  0  f 1056.514 30.90666 11265.54   651.8334 11265.54   651.8334 11265.54   651.8334 1056.514 30.90666 1056.514 30.90666 -0.000000 0.000000 
1 1 1 10 1  1  o 244.9303 5.558856 600.2086   27.23064 600.2086   27.23064 ?          ?        244.9303 5.558856 ?        ?        ?         ?        
1 1 1 10 1  2  o 477.6780 10.15424 2287.374   97.00916 2287.374   97.00916 ?          ?        477.6780 10.15424 ?        ?        ?         ?        
1 1 1 10 1  3  o 206.5021 4.120817 426.6133   17.01915 426.6133   17.01915 ?          ?        206.5021 4.120817 ?        ?        ?         ?        
1 1 1 10 1  4  o 403.3423 6.258970 1628.733   50.49014 1628.733   50.49014 ?          ?        403.3423 6.258970 ?        ?        ?         ?        
1 1 1 10 1  5  o 120.4834 3.766860 145.2301   9.076880 145.2301   9.076880 ?          ?        120.4834 3.766860 ?        ?        ?         ?        
1 1 1 10 1  6  o 490.9235 7.511318 2414.450   73.74965 2414.450   73.74965 ?          ?        490.9235 7.511318 ?        ?        ?         ?        
1 1 1 10 1  7  o 70.21223 5.251909 49.35553   7.374964 49.35553   7.374964 ?          ?        70.21223 5.251909 ?        ?        ?         ?        
1 1 1 10 1  8  o 76.03897 5.222499 57.86510   7.942269 57.86510   7.942269 ?          ?        76.03897 5.222499 ?        ?        ?         ?        
1 1 1 10 1  9  o 181.8302 4.523960 330.7388   16.45185 330.7388   16.45185 ?          ?        181.8302 4.523960 ?        ?        ?         ?        
1 1 1 10 1  10 o 392.0711 8.609317 1539.666   67.50929 1539.666   67.50929 ?          ?        392.0711 8.609317 ?        ?        ?         ?        
1 1 1 10 1  11 o 131.0639 5.194152 171.8934   13.61532 171.8934   13.61532 ?          ?        131.0639 5.194152 ?        ?        ?         ?        
1 1 1 10 1  12 o 380.7349 8.716653 1452.868   66.37468 1452.868   66.37468 ?          ?        380.7349 8.716653 ?        ?        ?         ?        
1 1 1 10 1  13 o 407.0175 10.59295 1663.338   86.23035 1663.338   86.23035 ?          ?        407.0175 10.59295 ?        ?        ?         ?        
1 1 1 10 1  14 o 229.0046 6.193161 525.3243   28.36525 525.3243   28.36525 ?          ?        229.0046 6.193161 ?        ?        ?         ?        
1 1 1 10 1  15 o 65.85306 10.33765 43.68248   13.61532 43.68248   13.61532 ?          ?        65.85306 10.33765 ?        ?        ?         ?        
1 1 1 10 1  16 o 183.2881 6.190309 337.5464   22.69220 337.5464   22.69220 ?          ?        183.2881 6.190309 ?        ?        ?         ?        
1 1 1 10 1  17 o 198.6293 6.283419 397.1135   24.96142 397.1135   24.96142 ?          ?        198.6293 6.283419 ?        ?        ?         ?        
1 1 1 10 1  18 o 106.5396 7.454758 115.1629   15.88454 115.1629   15.88454 ?          ?        106.5396 7.454758 ?        ?        ?         ?        
1 1 1 10 1  19 o 68.49491 11.18129 48.78823   15.31723 48.78823   15.31723 ?          ?        68.49491 11.18129 ?        ?        ?         ?        
1 1 1 10 2  0  o 390.1971 9.973611 1526.618   77.72078 1526.618   77.72078 1526.618   77.72078 390.1971 9.973611 390.1971 9.973611 -0.000000 0.000000 
1 1 1 10 2  1  o 235.5035 4.697360 554.8243   22.12490 554.8243   22.12490 ?          ?        235.5035 4.697360 ?        ?        ?         ?        
1 1 1 10 2  2  o 895.5991 14.09396 8059.701   252.4507 8059.701   252.4507 ?          ?        895.5991 14.09396 ?        ?        ?         ?        
1 1 1 10 2  3  o 460.2457 8.073617 2121.720   74.31695 2121.720   74.31695 ?          ?        460.2457 8.073617 ?        ?        ?         ?        
1 1 1 10 2  4  o 402.7498 6.620322 1624.194   53.32666 1624.194   53.32666 ?          ?        402.7498 6.620322 ?        ?        ?         ?        
1 1 1 10 2  5  o 47.41945 8.699187 23.25950   7.942269 23.25950   7.942269 ?          ?        47.41945 8.699187 ?        ?        ?         ?        
1 1 1 10 2  6  o 149.6601 3.790622 224.0854   11.34610 224.0854   11.34610 ?          ?        149.6601 3.790622 ?        ?        ?         ?        
1 1 1 10 2  7  o 62.51138 6.352659 39.14404   7.942269 39.14404   7.942269 ?          ?        62.51138 6.352659 ?        ?        ?         ?        
1 1 1 10 2  8  o 363.9365 7.949890 1326.926   57.86510 1326.926   57.86510 ?          ?        363.9365 7.949890 ?        ?        ?         ?        
1 1 1 10 2  9  o 200.3678 5.096373 401.6519   20.42298 401.6519   20.42298 ?          ?        200.3678 5.096373 ?        ?        ?         ?        
1 1 1 10 2  10 o 335.9562 7.598825 1130.072   51.05745 1130.072   51.05745 ?          ?        335.9562 7.598825 ?        ?        ?         ?        
1 1 1 10 2  11 o 362.8513 10.31886 1320.119   74.88425 1320.119   74.88425 ?          ?        362.8513 10.31886 ?        ?        ?         ?        
1 1 1 10 2  12 o 227.8054 6.723825 519.6514   30.63447 519.6514   30.63447 ?          ?        227.8054 6.723825 ?        ?        ?         ?        
1 1 1 10 2  13 o 367.0540 9.737044 1351.888   71.48043 1351.888   71.48043 ?          ?        367.0540 9.737044 ?        ?        ?         ?        
1 1 1 10 2  14 o 383.0056 9.405572 1472.724   72.04772 1472.724   72.04772 ?          ?        383.0056 9.405572 ?        ?        ?         ?        
1 1 1 10 2  15 o 543.3932 12.11045 2982.322   131.6148 2982.322   131.6148 ?          ?        543.3932 12.11045 ?        ?        ?         ?        
1 1 1 10 2  16 o 139.4618 7.118678 195.7202   19.85567 195.7202   19.85567 ?          ?        139.4618 7.118678 ?        ?        ?         ?        
1 1 1 10 2  17 o 50.05132 13.75140 26.66333   14.18262 26.66333   14.18262 ?          ?        50.05132 13.75140 ?        ?        ?         ?        
1 1 1 10 2  18 o 86.95201 8.807866 77.15348   15.31723 77.15348   15.31723 ?          ?        86.95201 8.807866 ?        ?        ?         ?        
1 1 1 10 2  19 o 213.4035 6.911757 462.3535   29.49986 462.3535   29.49986 ?          ?        213.4035 6.911757 ?        ?        ?         ?        
1 1 1 10 3  0  o 291.6873 7.108284 852.6594   41.41326 852.6594   41.41326 852.6594   41.41326 291.6873 7.108284 291.6873 7.108284 -0.000000 0.000000 
1 1 1 10 3  1  o 221.8682 4.346808 492.4207   19.28837 492.4207   19.28837 ?          ?        221.8682 4.346808 ?        ?        ?         ?        
1 1 1 10 3  2  o 495.4615 7.957772 2458.700   78.85539 2458.700   78.85539 ?          ?        495.4615 7.957772 ?        ?        ?         ?        
1 1 1 10 3  3  o 51.05109 7.223122 26.09603   7.374964 26.09603   7.374964 ?          ?        51.05109 7.223122 ?        ?        ?         ?        
1 1 1 10 3  4  o 909.7156 14.28060 8326.902   259.8257 8326.902   259.8257 ?          ?        909.7156 14.28060 ?        ?        ?         ?        
1 1 1 10 3  5  o 223.3697 4.190601 499.2284   18.72106 499.2284   18.72106 ?          ?        223.3697 4.190601 ?        ?        ?         ?        
1 1 1 10 3  6  o 435.5179 7.164292 1899.904   62.40355 1899.904   62.40355 ?          ?        435.5179 7.164292 ?        ?        ?         ?        
1 1 1 10 3  7  o 108.5819 4.440973 117.9994   9.644185 117.9994   9.644185 ?          ?        108.5819 4.440973 ?        ?        ?         ?        
1 1 1 10 3  8  o 725.6489 18.45024 5317.350   267.7679 5317.350   267.7679 ?          ?        725.6489 18.45024 ?        ?        ?         ?        
1 1 1 10 3  9  o 220.0535 5.413868 484.4784   23.82681 484.4784   23.82681 ?          ?        220.0535 5.413868 ?        ?        ?         ?        
1 1 1 10 3  10 o 64.31886 7.056157 41.41326   9.076880 41.41326   9.076880 ?          ?        64.31886 7.056157 ?        ?        ?         ?        
1 1 1 10 3  11 o 294.7284 8.565536 870.2458   50.49014 870.2458   50.49014 ?          ?        294.7284 8.565536 ?        ?        ?         ?        
1 1 1 10 3  12 o 230.1588 6.655073 530.4301   30.63447 530.4301   30.63447 ?          ?        230.1588 6.655073 ?        ?        ?         ?        
1 1 1 10 3  13 o 294.9818 7.596586 871.9477   44.81709 871.9477   44.81709 ?          ?        294.9818 7.596586 ?        ?        ?         ?        
1 1 1 10 3  14 o 145.7036 6.813719 212.7394   19.85567 212.7394   19.85567 ?          ?        145.7036 6.813719 ?        ?        ?         ?        
1 1 1 10 3  15 o 83.34375 8.168171 69.77851   13.61532 69.77851   13.61532 ?          ?        83.34375 8.168171 ?        ?        ?         ?        
1 1 1 10 3  16 o 227.0703 6.745590 518.5167   30.63447 518.5167   30.63447 ?          ?        227.0703 6.745590 ?        ?        ?         ?        
1 1 1 10 3  17 o 100.0048 7.658250 100.9803   15.31723 100.9803   15.31723 ?          ?        100.0048 7.658250 ?        ?        ?         ?        
1 1 1 10 3  18 o 113.8828 7.472221 131.6148   17.01915 131.6148   17.01915 ?          ?        113.8828 7.472221 ?        ?        ?         ?        
1 1 1 10 3  19 o 125.6662 7.223009 160.5473   18.15376 160.5473   18.15376 ?          ?        125.6662 7.223009 ?        ?        ?         ?        
1 1 1 10 4  0  o 474.9130 14.60385 2265.816   138.4224 2265.816   138.4224 2265.816   138.4224 474.9130 14.60385 474.9130 14.60385 -0.000000 0.000000 
1 1 1 10 4  1  o 114.7082 3.709226 131.6148   8.509575 131.6148   8.509575 ?          ?        114.7082 3.709226 ?        ?        ?         ?        
1 1 1 10 4  2  o 461.3851 7.623330 2131.932   70.34581 2131.932   70.34581 ?          ?        461.3851 7.623330 ?        ?        ?         ?        
1 1 1 10 4  3  o 240.7242 4.595486 579.7856   22.12490 579.7856   22.12490 ?          ?        240.7242 4.595486 ?        ?        ?         ?        
1 1 1 10 4  4  o 193.3063 3.961908 373.8540   15.31723 373.8540   15.31723 ?          ?        193.3063 3.961908 ?        ?        ?         ?        
1 1 1 10 4  5  o 368.6468 6.617205 1360.965   48.78823 1360.965   48.78823 ?          ?        368.6468 6.617205 ?        ?        ?         ?        
1 1 1 10 4  6  o 119.2972 4.042082 142.3935   9.644185 142.3935   9.644185 ?          ?        119.2972 4.042082 ?        ?        ?         ?        
1 1 1 10 4  7  o 303.7337 5.136370 923.5726   31.20177 923.5726   31.20177 ?          ?        303.7337 5.136370 ?        ?        ?         ?        
1 1 1 10 4  8  o 463.3322 10.04010 2152.922   93.03801 2152.922   93.03801 ?          ?        463.3322 10.04010 ?        ?        ?         ?        
1 1 1 10 4  9  o 146.9934 4.438299 216.1432   13.04801 216.1432   13.04801 ?          ?        146.9934 4.438299 ?        ?        ?         ?        
1 1 1 10 4  10 o 251.0811 5.648623 630.8431   28.36525 630.8431   28.36525 ?          ?        251.0811 5.648623 ?        ?        ?         ?        
1 1 1 10 4  11 o 544.1702 12.71867 2973.245   138.4224 2973.245   138.4224 ?          ?        544.1702 12.71867 ?        ?        ?         ?        
1 1 1 10 4  12 o 410.3681 9.815250 1688.867   80.55730 1688.867   80.55730 ?          ?        410.3681 9.815250 ?        ?        ?         ?        
1 1 1 10 4  13 o 109.5848 6.471072 120.2687   14.18262 120.2687   14.18262 ?          ?        109.5848 6.471072 ?        ?        ?         ?        
1 1 1 10 4  14 o 213.7512 6.635108 457.8151   28.36525 457.8151   28.36525 ?          ?        213.7512 6.635108 ?        ?        ?         ?        
1 1 1 10 4  15 o 453.8772 11.81164 2079.740   107.2206 2079.740   107.2206 ?          ?        453.8772 11.81164 ?        ?        ?         ?        
1 1 1 10 4  16 o 152.5060 6.323805 233.7296   19.28837 233.7296   19.28837 ?          ?        152.5060 6.323805 ?        ?        ?         ?        
1 1 1 10 4  17 o 179.0715 6.336073 322.7965   22.69220 322.7965   22.69220 ?          ?        179.0715 6.336073 ?        ?        ?         ?        
1 1 1 10 4  18 o 150.0025 6.429351 227.4893   19.28837 227.4893   19.28837 ?          ?        150.0025 6.429351 ?        ?        ?         ?        
1 1 1 10 4  19 o 90.05206 8.189667 82.82652   14.74993 82.82652   14.74993 ?          ?        90.05206 8.189667 ?        ?        ?         ?        
1 1 1 10 5  0  o 493.2182 15.04106 2444.517   148.0666 2444.517   148.0666 2444.517   148.0666 493.2182 15.04106 493.2182 15.04106 -0.000000 0.000000 
1 1 1 10 5  1  o 160.4643 3.535398 257.5565   11.34610 257.5565   11.34610 ?          ?        160.4643 3.535398 ?        ?        ?         ?        
1 1 1 10 5  2  o 134.5027 3.585128 180.9703   9.644185 180.9703   9.644185 ?          ?        134.5027 3.585128 ?        ?        ?         ?        
1 1 1 10 5  3  o 110.6736 4.100743 122.5379   9.076880 122.5379   9.076880 ?          ?        110.6736 4.100743 ?        ?        ?         ?        
1 1 1 10 5  4  o 367.3058 6.178013 1350.753   45.38440 1350.753   45.38440 ?          ?        367.3058 6.178013 ?        ?        ?         ?        
1 1 1 10 5  5  o 261.0469 4.455044 681.9006   23.25950 681.9006   23.25950 ?          ?        261.0469 4.455044 ?        ?        ?         ?        
1 1 1 10 5  6  o 575.8328 9.211533 3324.974   106.0860 3324.974   106.0860 ?          ?        575.8328 9.211533 ?        ?        ?         ?        
1 1 1 10 5  7  o 261.2142 4.995140 683.0352   26.09603 683.0352   26.09603 ?          ?        261.2142 4.995140 ?        ?        ?         ?        
1 1 1 10 5  8  o 278.0192 6.325626 773.8040   35.17290 773.8040   35.17290 ?          ?        278.0192 6.325626 ?        ?        ?         ?        
1 1 1 10 5  9  o 358.9828 7.901561 1290.052   56.73050 1290.052   56.73050 ?          ?        358.9828 7.901561 ?        ?        ?         ?        
1 1 1 10 5  10 o 217.1870 5.485322 471.9977   23.82681 471.9977   23.82681 ?          ?        217.1870 5.485322 ?        ?        ?         ?        
1 1 1 10 5  11 o 374.7859 10.59574 1408.618   79.42269 1408.618   79.42269 ?          ?        374.7859 10.59574 ?        ?        ?         ?        
1 1 1 10 5  12 o 197.3152 5.893998 389.7385   23.25950 389.7385   23.25950 ?          ?        197.3152 5.893998 ?        ?        ?         ?        
1 1 1 10 5  13 o 370.0681 8.967902 1373.445   66.37468 1373.445   66.37468 ?          ?        370.0681 8.967902 ?        ?        ?         ?        
1 1 1 10 5  14 o 188.7334 6.162000 356.8348   23.25950 356.8348   23.25950 ?          ?        188.7334 6.162000 ?        ?        ?         ?        
1 1 1 10 5  15 o 299.2245 8.436832 899.7457   50.49014 899.7457   50.49014 ?          ?        299.2245 8.436832 ?        ?        ?         ?        
1 1 1 10 5  16 o 147.2302 6.357750 217.8451   18.72106 217.8451   18.72106 ?          ?        147.2302 6.357750 ?        ?        ?         ?        
1 1 1 10 5  17 o 170.6967 6.314590 293.2967   21.55759 293.2967   21.55759 ?          ?        170.6967 6.314590 ?        ?        ?         ?        
1 1 1 10 5  18 o 83.68276 8.813004 71.48043   14.74993 71.48043   14.74993 ?          ?        83.68276 8.813004 ?        ?        ?         ?        
1 1 1 10 5  19 o 164.7559 6.542281 275.1429   21.55759 275.1429   21.55759 ?          ?        164.7559 6.542281 ?        ?        ?         ?        
1 1 1 10 6  0  o 73.93834 7.022803 56.16319   10.21149 56.16319   10.21149 56.16319   10.21149 73.93834 7.022803 73.93834 7.022803 -0.000000 0.000000 
1 1 1 10 6  1  o 287.3257 4.738636 825.9961   27.23064 825.9961   27.23064 ?          ?        287.3257 4.738636 ?        ?        ?         ?        
1 1 1 10 6  2  o 450.5623 6.988029 2032.654   62.97085 2032.654   62.97085 ?          ?        450.5623 6.988029 ?        ?        ?         ?        
1 1 1 10 6  3  o 222.7392 4.584504 496.3919   20.42298 496.3919   20.42298 ?          ?        222.7392 4.584504 ?        ?        ?         ?        
1 1 1 10 6  4  o 337.1682 5.720696 1138.014   38.57674 1138.014   38.57674 ?          ?        337.1682 5.720696 ?        ?        ?         ?        
1 1 1 10 6  5  o 354.3793 5.602944 1257.148   39.71135 1257.148   39.71135 ?          ?        354.3793 5.602944 ?        ?        ?         ?        
1 1 1 10 6  6  o 481.6801 7.832124 2324.815   75.45156 2324.815   75.45156 ?          ?        481.6801 7.832124 ?        ?        ?         ?        
1 1 1 10 6  7  o 459.9888 7.461476 2120.586   68.64390 2120.586   68.64390 ?          ?        459.9888 7.461476 ?        ?        ?         ?        
1 1 1 10 6  8  o 25.62451 10.46749 2.269220   8.509575 2.269220   8.509575 ?          ?        25.62451 10.46749 ?        ?        ?         ?        
1 1 1 10 6  9  o 657.9780 15.13151 4346.124   199.1240 4346.124   199.1240 ?          ?        657.9780 15.13151 ?        ?        ?         ?        
1 1 1 10 6  10 o 275.8061 6.376384 761.3232   35.17290 761.3232   35.17290 ?          ?        275.8061 6.376384 ?        ?        ?         ?        
1 1 1 10 6  11 o 601.0178 14.01702 3630.185   168.4896 3630.185   168.4896 ?          ?        601.0178 14.01702 ?        ?        ?         ?        
1 1 1 10 6  12 o 632.5824 15.96318 4032.404   201.9606 4032.404   201.9606 ?          ?        632.5824 15.96318 ?        ?        ?         ?        
1 1 1 10 6  13 o 398.0999 9.690217 1590.156   77.15348 1590.156   77.15348 ?          ?        398.0999 9.690217 ?        ?        ?         ?        
1 1 1 10 6  14 f 433.1855 10.41142 1886.289   90.20149 1886.289   90.20149 ?          ?        433.1855 10.41142 ?        ?        ?         ?        
1 1 1 10 6  15 o 104.4118 7.878344 109.4899   16.45185 109.4899   16.45185 ?          ?        104.4118 7.878344 ?        ?        ?         ?        
1 1 1 10 6  16 o 188.6123 6.165956 357.4021   23.25950 357.4021   23.25950 ?          ?        188.6123 6.165956 ?        ?        ?         ?        
1 1 1 10 6  17 o 124.4541 6.609606 156.0089   16.45185 156.0089   16.45185 ?          ?        124.4541 6.609606 ?        ?        ?         ?        
1 1 1 10 6  18 o 66.30715 12.43694 47.08631   15.88454 47.08631   15.88454 ?          ?        66.30715 12.43694 ?        ?        ?         ?        
1 1 1 10 6  19 o 129.1328 6.589784 169.0569   17.01915 169.0569   17.01915 ?          ?        129.1328 6.589784 ?        ?        ?         ?        
1 1 1 10 7  0  o 192.5138 5.313238 371.5847   20.42298 371.5847   20.42298 371.5847   20.42298 192.5138 5.313238 192.5138 5.313238 -0.000000 0.000000 
1 1 1 10 7  1  o 192.4404 3.537542 370.4502   13.61532 370.4502   13.61532 ?          ?        192.4404 3.537542 ?        ?        ?         ?        
1 1 1 10 7  2  o 231.7353 4.039321 537.2378   18.72106 537.2378   18.72106 ?          ?        231.7353 4.039321 ?        ?        ?         ?        
1 1 1 10 7  3  o 164.8196 3.441975 271.7391   11.34610 271.7391   11.34610 ?          ?        164.8196 3.441975 ?        ?        ?         ?        
1 1 1 10 7  4  o 276.8339 5.020690 766.9963   27.79794 766.9963   27.79794 ?          ?        276.8339 5.020690 ?        ?        ?         ?        
1 1 1 10 7  5  o 105.1417 4.586281 110.6245   9.644185 110.6245   9.644185 ?          ?        105.1417 4.586281 ?        ?        ?         ?        
1 1 1 10 7  6  o 150.4154 3.771588 226.3547   11.34610 226.3547   11.34610 ?          ?        150.4154 3.771588 ?        ?        ?         ?        
1 1 1 10 7  7  o 450.3988 6.801632 2032.086   61.26894 2032.086   61.26894 ?          ?        450.3988 6.801632 ?        ?        ?         ?        
1 1 1 10 7  8  o 244.5525 5.451455 598.5067   26.66333 598.5067   26.66333 ?          ?        244.5525 5.451455 ?        ?        ?         ?        
1 1 1 10 7  9  o 662.0829 14.09517 4398.315   186.6433 4398.315   186.6433 ?          ?        662.0829 14.09517 ?        ?        ?         ?        
1 1 1 10 7  10 o 357.4898 8.489981 1279.840   60.70163 1279.840   60.70163 ?          ?        357.4898 8.489981 ?        ?        ?         ?        
1 1 1 10 7  11 o 165.6317 5.822669 274.5756   19.28837 274.5756   19.28837 ?          ?        165.6317 5.822669 ?        ?        ?         ?        
1 1 1 10 7  12 o 706.3092 19.51767 5046.745   275.7102 5046.745   275.7102 ?          ?        706.3092 19.51767 ?        ?        ?         ?        
1 1 1 10 7  13 o 597.8690 16.60537 3609.761   198.5567 3609.761   198.5567 ?          ?        597.8690 16.60537 ?        ?        ?         ?        
1 1 1 10 7  14 o 642.6041 16.42049 4185.009   211.0374 4185.009   211.0374 ?          ?        642.6041 16.42049 ?        ?        ?         ?        
1 1 1 10 7  15 o 420.5579 12.07296 1787.010   101.5476 1787.010   101.5476 ?          ?        420.5579 12.07296 ?        ?        ?         ?        
1 1 1 10 7  16 o 191.8727 6.209015 369.8828   23.82681 369.8828   23.82681 ?          ?        191.8727 6.209015 ?        ?        ?         ?        
1 1 1 10 7  17 o 77.45679 8.422770 60.70163   13.04801 60.70163   13.04801 ?          ?        77.45679 8.422770 ?        ?        ?         ?        
1 1 1 10 7  18 o 102.0134 8.619678 106.0860   17.58645 106.0860   17.58645 ?          ?        102.0134 8.619678 ?        ?        ?         ?        
1 1 1 10 7  19 o 58.47775 13.38024 37.44213   15.31723 37.44213   15.31723 ?          ?        58.47775 13.38024 ?        ?        ?         ?        
1 1 1 10 8  0  o 202.8251 5.462951 412.4307   22.12490 412.4307   22.12490 412.4307   22.12490 202.8251 5.462951 202.8251 5.462951 -0.000000 0.000000 
1 1 1 10 8  1  o 184.0000 3.699815 338.6811   13.61532 338.6811   13.61532 ?          ?        184.0000 3.699815 ?        ?        ?         ?        
1 1 1 10 8  2  o 312.2672 5.177679 975.7645   32.33638 975.7645   32.33638 ?          ?        312.2672 5.177679 ?        ?        ?         ?        
1 1 1 10 8  3  o 147.1867 3.468889 216.7105   10.21149 216.7105   10.21149 ?          ?        147.1867 3.468889 ?        ?        ?         ?        
1 1 1 10 8  4  o 172.5421 3.616714 297.8351   12.48071 297.8351   12.48071 ?          ?        172.5421 3.616714 ?        ?        ?         ?        
1 1 1 10 8  5  o 345.2162 5.751663 1193.042   39.71135 1193.042   39.71135 ?          ?        345.2162 5.751663 ?        ?        ?         ?        
1 1 1 10 8  6  o 158.6705 3.754133 251.8834   11.91340 251.8834   11.91340 ?          ?        158.6705 3.754133 ?        ?        ?         ?        
1 1 1 10 8  7  o 520.8544 7.787647 2718.525   81.12460 2718.525   81.12460 ?          ?        520.8544 7.787647 ?        ?        ?         ?        
1 1 1 10 8  8  o 308.7298 6.890794 954.2070   42.54787 954.2070   42.54787 ?          ?        308.7298 6.890794 ?        ?        ?         ?        
1 1 1 10 8  9  o 456.7123 10.68249 2089.951   97.57646 2089.951   97.57646 ?          ?        456.7123 10.68249 ?        ?        ?         ?        
1 1 1 10 8  10 o 516.2669 16.97738 2680.516   175.2972 2680.516   175.2972 ?          ?        516.2669 16.97738 ?        ?        ?         ?        
1 1 1 10 8  11 o 393.2667 11.17972 1551.579   87.93227 1551.579   87.93227 ?          ?        393.2667 11.17972 ?        ?        ?         ?        
1 1 1 10 8  12 o 371.1705 12.38022 1384.224   91.90340 1384.224   91.90340 ?          ?        371.1705 12.38022 ?        ?        ?         ?        
1 1 1 10 8  13 o 526.0577 13.48010 2785.468   141.8262 2785.468   141.8262 ?          ?        526.0577 13.48010 ?        ?        ?         ?        
1 1 1 10 8  14 o 35.10607 13.59034 7.942269   13.61532 7.942269   13.61532 ?          ?        35.10607 13.59034 ?        ?        ?         ?        
1 1 1 10 8  15 o 210.5579 7.813453 445.3344   32.90369 445.3344   32.90369 ?          ?        210.5579 7.813453 ?        ?        ?         ?        
1 1 1 10 8  16 o 221.6443 6.910728 494.1226   30.63447 494.1226   30.63447 ?          ?        221.6443 6.910728 ?        ?        ?         ?        
1 1 1 10 8  17 o 312.6257 8.801031 989.9472   55.02858 989.9472   55.02858 ?          ?        312.6257 8.801031 ?        ?        ?         ?        
1 1 1 10 8  18 o 129.2207 10.09747 171.3261   26.09603 171.3261   26.09603 ?          ?        129.2207 10.09747 ?        ?        ?         ?        
1 1 1 10 8  19 o 65.74725 18.02200 49.35553   24.39412 49.35553   24.39412 ?          ?        65.74725 18.02200 ?        ?        ?         ?        
1 1 1 10 9  0  o 204.4857 5.557684 419.2384   22.69220 419.2384   22.69220 419.2384   22.69220 204.4857 5.557684 204.4857 5.557684 -0.000000 0.000000 
1 1 1 10 9  1  o 167.8865 3.548054 281.9506   11.91340 281.9506   11.91340 ?          ?        167.8865 3.548054 ?        ?        ?         ?        
1 1 1 10 9  2  o 307.9802 4.973448 949.1012   30.63447 949.1012   30.63447 ?          ?        307.9802 4.973448 ?        ?        ?         ?        
1 1 1 10 9  3  o 409.3455 6.236474 1677.521   51.05745 1677.521   51.05745 ?          ?        409.3455 6.236474 ?        ?        ?         ?        
1 1 1 10 9  4  o 220.8194 4.110544 487.8823   18.15376 487.8823   18.15376 ?          ?        220.8194 4.110544 ?        ?        ?         ?        
1 1 1 10 9  5  o 666.5839 10.55318 4459.584   140.6916 4459.584   140.6916 ?          ?        666.5839 10.55318 ?        ?        ?         ?        
1 1 1 10 9  6  o 321.5637 5.998304 1035.332   38.57674 1035.332   38.57674 ?          ?        321.5637 5.998304 ?        ?        ?         ?        
1 1 1 10 9  7  o 514.2194 8.274264 2649.882   85.09574 2649.882   85.09574 ?          ?        514.2194 8.274264 ?        ?        ?         ?        
1 1 1 10 9  8  o 476.0474 10.30819 2271.489   98.14376 2271.489   98.14376 ?          ?        476.0474 10.30819 ?        ?        ?         ?        
1 1 1 10 9  9  o 193.7398 5.563541 375.5559   21.55759 375.5559   21.55759 ?          ?        193.7398 5.563541 ?        ?        ?         ?        
1 1 1 10 9  10 o 702.6173 16.18871 4962.216   227.4893 4962.216   227.4893 ?          ?        702.6173 16.18871 ?        ?        ?         ?        
1 1 1 10 9  11 o 550.5802 12.05541 3043.024   132.7494 3043.024   132.7494 ?          ?        550.5802 12.05541 ?        ?        ?         ?        
1 1 1 10 9  12 o 266.3182 6.710059 710.2658   35.74022 710.2658   35.74022 ?          ?        266.3182 6.710059 ?        ?        ?         ?        
1 1 1 10 9  13 o 454.4044 10.73674 2073.500   97.57646 2073.500   97.57646 ?          ?        454.4044 10.73674 ?        ?        ?         ?        
1 1 1 10 9  14 o 83.41962 7.140648 69.77851   11.91340 69.77851   11.91340 ?          ?        83.41962 7.140648 ?        ?        ?         ?        
1 1 1 10 9  15 o 401.3827 11.73103 1628.165   94.17262 1628.165   94.17262 ?          ?        401.3827 11.73103 ?        ?        ?         ?        
1 1 1 10 9  16 o 366.3616 11.14908 1362.667   81.69191 1362.667   81.69191 ?          ?        366.3616 11.14908 ?        ?        ?         ?        
1 1 1 10 9  17 o 230.6020 8.610367 538.3724   39.71135 538.3724   39.71135 ?          ?        230.6020 8.610367 ?        ?        ?         ?        
1 1 1 10 9  18 o 36.00430 15.65055 -1.134610  20.99029 -1.134610  20.99029 ?          ?        36.00430 15.65055 ?        ?        ?         ?        
1 1 1 10 9  19 o 160.9256 8.813155 265.4987   28.36525 265.4987   28.36525 ?          ?        160.9256 8.813155 ?        ?        ?         ?        
1 1 1 10 10 0  o 160.8809 5.479600 259.8257   17.58645 259.8257   17.58645 259.8257   17.58645 160.8809 5.479600 160.8809 5.479600 -0.000000 0.000000 
1 1 1 10 10 1  o 413.6995 6.445097 1713.261   53.32666 1713.261   53.32666 ?          ?        413.6995 6.445097 ?        ?        ?         ?        
1 1 1 10 10 2  f 764.2579 11.24577 5859.693   171.8934 5859.693   171.8934 ?          ?        764.2579 11.24577 ?        ?        ?         ?        
1 1 1 10 10 3  o 310.1567 5.030002 962.7164   31.20177 962.7164   31.20177 ?          ?        310.1567 5.030002 ?        ?        ?         ?        
1 1 1 10 10 4  o 244.7979 4.403141 599.6413   21.55759 599.6413   21.55759 ?          ?        244.7979 4.403141 ?        ?        ?         ?        
1 1 1 10 10 5  f 469.1963 7.677780 2205.682   72.04772 2205.682   72.04772 ?          ?        469.1963 7.677780 ?        ?        ?         ?        
1 1 1 10 10 6  o 258.8407 4.821772 670.5544   24.96142 670.5544   24.96142 ?          ?        258.8407 4.821772 ?        ?        ?         ?        
1 1 1 10 10 7  o 428.9686 7.538170 1843.174   64.67276 1843.174   64.67276 ?          ?        428.9686 7.538170 ?        ?        ?         ?        
1 1 1 10 10 8  o 404.7699 8.199064 1640.646   66.37468 1640.646   66.37468 ?          ?        404.7699 8.199064 ?        ?        ?         ?        
1 1 1 10 10 9  o 364.0986 8.647501 1327.494   62.97085 1327.494   62.97085 ?          ?        364.0986 8.647501 ?        ?        ?         ?        
1 1 1 10 10 10 o 900.2996 19.12442 8164.653   344.3541 8164.653   344.3541 ?          ?        900.2996 19.12442 ?        ?        ?         ?        
1 1 1 10 10 11 o 339.2497 7.692278 1152.764   52.19205 1152.764   52.19205 ?          ?        339.2497 7.692278 ?        ?        ?         ?        
1 1 1 10 10 12 o 347.1706 8.006999 1207.792   55.59589 1207.792   55.59589 ?          ?        347.1706 8.006999 ?        ?        ?         ?        
1 1 1 10 10 13 o 537.4639 12.61349 2905.736   135.5859 2905.736   135.5859 ?          ?        537.4639 12.61349 ?        ?        ?         ?        
1 1 1 10 10 14 o 219.1225 5.954667 481.0746   26.09603 481.0746   26.09603 ?          ?        219.1225 5.954667 ?        ?        ?         ?        
1 1 1 10 10 15 o 428.6239 12.37519 1860.193   106.0860 1860.193   106.0860 ?          ?        428.6239 12.37519 ?        ?        ?         ?        
1 1 1 10 10 16 o 337.4207 10.59218 1154.466   71.48043 1154.466   71.48043 ?          ?        337.4207 10.59218 ?        ?        ?         ?        
1 1 1 10 10 17 o 84.53550 13.75724 73.74965   23.25950 73.74965   23.25950 ?          ?        84.53550 13.75724 ?        ?        ?         ?        
1 1 1 10 10 18 f 36.94820 15.95761 0.000000   21.55759 0.000000   21.55759 ?          ?        36.94820 15.95761 ?        ?        ?         ?        
1 1 1 10 10 19 o 29.46876 13.80583 -17.58645  20.42298 -17.58645  20.42298 ?          ?        29.46876 13.80583 ?        ?        ?         ?        
1 1 1 10 11 0  o 441.7191 9.513729 1956.067   83.96114 1956.067   83.96114 1956.067   83.96114 441.7191 9.513729 441.7191 9.513729 -0.000000 0.000000 
1 1 1 10 11 1  o 401.5509 6.216252 1613.983   49.92284 1613.983   49.92284 ?          ?        401.5509 6.216252 ?        ?        ?         ?        
1 1 1 10 11 2  o 463.9270 7.092429 2155.192   65.80738 2155.192   65.80738 ?          ?        463.9270 7.092429 ?        ?        ?         ?        
1 1 1 10 11 3  o 35.75420 10.45286 13.04801   7.942269 13.04801   7.942269 ?          ?        35.75420 10.45286 ?        ?        ?         ?        
1 1 1 10 11 4  o 123.9532 4.347928 153.7396   10.77879 153.7396   10.77879 ?          ?        123.9532 4.347928 ?        ?        ?         ?        
1 1 1 10 11 5  o 433.2234 6.612964 1879.481   57.29780 1879.481   57.29780 ?          ?        433.2234 6.612964 ?        ?        ?         ?        
1 1 1 10 11 6  o 526.1021 7.979548 2774.688   83.96114 2774.688   83.96114 ?          ?        526.1021 7.979548 ?        ?        ?         ?        
1 1 1 10 11 7  o 113.4447 4.750682 128.7782   10.77879 128.7782   10.77879 ?          ?        113.4447 4.750682 ?        ?        ?         ?        
1 1 1 10 11 8  o 249.9426 6.128300 625.1701   30.63447 625.1701   30.63447 ?          ?        249.9426 6.128300 ?        ?        ?         ?        
1 1 1 10 11 9  o 304.6176 6.518229 928.6782   39.71135 928.6782   39.71135 ?          ?        304.6176 6.518229 ?        ?        ?         ?        
1 1 1 10 11 10 o 408.5851 8.400196 1671.848   68.64390 1671.848   68.64390 ?          ?        408.5851 8.400196 ?        ?        ?         ?        
1 1 1 10 11 11 o 357.1708 8.179898 1278.138   58.43241 1278.138   58.43241 ?          ?        357.1708 8.179898 ?        ?        ?         ?        
1 1 1 10 11 12 o 234.1891 6.177176 549.1512   28.93255 549.1512   28.93255 ?          ?        234.1891 6.177176 ?        ?        ?         ?        
1 1 1 10 11 13 o 280.2323 7.186655 786.8520   40.27865 786.8520   40.27865 ?          ?        280.2323 7.186655 ?        ?        ?         ?        
1 1 1 10 11 14 o 221.9416 6.006835 493.5553   26.66333 493.5553   26.66333 ?          ?        221.9416 6.006835 ?        ?        ?         ?        
1 1 1 10 11 15 o 426.3756 12.64002 1843.174   107.7879 1843.174   107.7879 ?          ?        426.3756 12.64002 ?        ?        ?         ?        
1 1 1 10 11 16 o 168.7975 8.570198 287.6236   28.93255 287.6236   28.93255 ?          ?        168.7975 8.570198 ?        ?        ?         ?        
1 1 1 10 11 17 o 94.57402 11.09728 91.33610   20.99029 91.33610   20.99029 ?          ?        94.57402 11.09728 ?        ?        ?         ?        
1 1 1 10 11 18 o 121.9300 9.538056 152.0377   23.25950 152.0377   23.25950 ?          ?        121.9300 9.538056 ?        ?        ?         ?        
1 1 1 10 11 19 o 194.6551 9.180394 389.7385   35.74022 389.7385   35.74022 ?          ?        194.6551 9.180394 ?        ?        ?         ?        
1 1 1 10 12 0  o 422.9281 9.332664 1793.251   78.85539 1793.251   78.85539 1793.251   78.85539 422.9281 9.332664 422.9281 9.332664 -0.000000 0.000000 
1 1 1 10 12 1  o 141.0875 3.618851 199.1240   10.21149 199.1240   10.21149 ?          ?        141.0875 3.618851 ?        ?        ?         ?        
1 1 1 10 12 2  o 197.9456 4.012348 392.0077   15.88454 392.0077   15.88454 ?          ?        197.9456 4.012348 ?        ?        ?         ?        
1 1 1 10 12 3  o 123.9647 3.661074 153.7396   9.076880 153.7396   9.076880 ?          ?        123.9647 3.661074 ?        ?        ?         ?        
1 1 1 10 12 4  o 111.4324 4.072818 124.2398   9.076880 124.2398   9.076880 ?          ?        111.4324 4.072818 ?        ?        ?         ?        
1 1 1 10 12 5  o 569.9763 8.509930 3256.331   97.00916 3256.331   97.00916 ?          ?        569.9763 8.509930 ?        ?        ?         ?        
1 1 1 10 12 6  o 534.5666 8.702191 2866.592   93.03801 2866.592   93.03801 ?          ?        534.5666 8.702191 ?        ?        ?         ?        
1 1 1 10 12 7  o 322.1512 7.132009 1039.303   45.95170 1039.303   45.95170 ?          ?        322.1512 7.132009 ?        ?        ?         ?        
1 1 1 10 12 8  o 290.1259 6.746043 842.4479   39.14404 842.4479   39.14404 ?          ?        290.1259 6.746043 ?        ?        ?         ?        
1 1 1 10 12 9  o 377.7301 9.837309 1429.609   74.31695 1429.609   74.31695 ?          ?        377.7301 9.837309 ?        ?        ?         ?        
1 1 1 10 12 10 o 579.8892 13.54944 3376.032   157.1435 3376.032   157.1435 ?          ?        579.8892 13.54944 ?        ?        ?         ?        
1 1 1 10 12 11 o 309.4021 7.150855 958.7454   44.24979 958.7454   44.24979 ?          ?        309.4021 7.150855 ?        ?        ?         ?        
1 1 1 10 12 12 o 311.2267 7.746912 970.6588   48.22092 970.6588   48.22092 ?          ?        311.2267 7.746912 ?        ?        ?         ?        
1 1 1 10 12 13 f 49.03907 9.596970 24.96142   9.076880 24.96142   9.076880 ?          ?        49.03907 9.596970 ?        ?        ?         ?        
1 1 1 10 12 14 o 523.7213 13.70272 2771.285   143.5282 2771.285   143.5282 ?          ?        523.7213 13.70272 ?        ?        ?         ?        
1 1 1 10 12 15 o 188.1898 8.139247 356.2675   30.63447 356.2675   30.63447 ?          ?        188.1898 8.139247 ?        ?        ?         ?        
1 1 1 10 12 16 o 369.0646 12.68143 1391.599   93.60532 1391.599   93.60532 ?          ?        369.0646 12.68143 ?        ?        ?         ?        
1 1 1 10 12 17 o 159.4641 8.538174 257.5565   27.23064 257.5565   27.23064 ?          ?        159.4641 8.538174 ?        ?        ?         ?        
1 1 1 10 12 18 o 140.0881 8.909188 200.2587   24.96142 200.2587   24.96142 ?          ?        140.0881 8.909188 ?        ?        ?         ?        
1 1 1 10 12 19 o 62.16624 23.43881 41.41326   39.71135 41.41326   39.71135 ?          ?        62.16624 23.43881 ?        ?        ?         ?        
1 1 1 10 13 0  o 417.1214 9.258471 1744.463   77.15348 1744.463   77.15348 1744.463   77.15348 417.1214 9.258471 417.1214 9.258471 -0.000000 0.000000 
1 1 1 10 13 1  o 409.2104 6.307849 1676.386   51.62476 1676.386   51.62476 ?          ?        409.2104 6.307849 ?        ?        ?         ?        
1 1 1 10 13 2  o 142.6717 4.175112 203.6625   11.91340 203.6625   11.91340 ?          ?        142.6717 4.175112 ?        ?        ?         ?        
1 1 1 10 13 3  o 85.84304 4.956473 73.74965   8.509575 73.74965   8.509575 ?          ?        85.84304 4.956473 ?        ?        ?         ?        
1 1 1 10 13 4  o 280.0038 4.659943 784.5828   26.09603 784.5828   26.09603 ?          ?        280.0038 4.659943 ?        ?        ?         ?        
1 1 1 10 13 5  o 672.0182 10.63668 4532.767   142.9609 4532.767   142.9609 ?          ?        672.0182 10.63668 ?        ?        ?         ?        
1 1 1 10 13 6  o 194.6046 3.935476 378.9597   15.31723 378.9597   15.31723 ?          ?        194.6046 3.935476 ?        ?        ?         ?        
1 1 1 10 13 7  o 118.0623 6.486928 139.5570   15.31723 139.5570   15.31723 ?          ?        118.0623 6.486928 ?        ?        ?         ?        
1 1 1 10 13 8  o 410.7500 10.56575 1690.569   86.79766 1690.569   86.79766 ?          ?        410.7500 10.56575 ?        ?        ?         ?        
1 1 1 10 13 9  o 207.8276 6.278288 432.2864   26.09603 432.2864   26.09603 ?          ?        207.8276 6.278288 ?        ?        ?         ?        
1 1 1 10 13 10 o 406.4229 9.003225 1654.829   73.18234 1654.829   73.18234 ?          ?        406.4229 9.003225 ?        ?        ?         ?        
1 1 1 10 13 11 o 313.9284 7.318820 987.1107   45.95170 987.1107   45.95170 ?          ?        313.9284 7.318820 ?        ?        ?         ?        
1 1 1 10 13 12 o 299.2317 9.005393 898.0438   53.89397 898.0438   53.89397 ?          ?        299.2317 9.005393 ?        ?        ?         ?        
1 1 1 10 13 13 o 269.0219 7.802444 725.5831   41.98057 725.5831   41.98057 ?          ?        269.0219 7.802444 ?        ?        ?         ?        
1 1 1 10 13 14 o 102.6769 10.49778 106.0860   21.55759 106.0860   21.55759 ?          ?        102.6769 10.49778 ?        ?        ?         ?        
1 1 1 10 13 15 f 206.8562 8.364654 430.5845   34.60560 430.5845   34.60560 ?          ?        206.8562 8.364654 ?        ?        ?         ?        
1 1 1 10 13 16 o 50.31553 17.68544 23.82681   22.12490 23.82681   22.12490 ?          ?        50.31553 17.68544 ?        ?        ?         ?        
1 1 1 10 13 17 o 149.9817 9.456236 228.6239   28.36525 228.6239   28.36525 ?          ?        149.9817 9.456236 ?        ?        ?         ?        
1 1 1 10 13 18 o 35.44295 17.21791 -57.86510  38.57674 -57.86510  38.57674 ?          ?        35.44295 17.21791 ?        ?        ?         ?        
1 1 1 10 13 19 o 173.7609 9.468091 311.4504   32.90369 311.4504   32.90369 ?          ?        173.7609 9.468091 ?        ?        ?         ?        
1 1 1 10 14 0  f 831.9259 17.44007 6960.832   289.8928 6960.832   289.8928 6960.832   289.8928 831.9259 17.44007 831.9259 17.44007 -0.000000 0.000000 
1 1 1 10 14 1  o 110.6686 4.100929 122.5379   9.076880 122.5379   9.076880 ?          ?        110.6686 4.100929 ?        ?        ?         ?        
1 1 1 10 14 2  o 342.1765 5.636965 1172.052   38.57674 1172.052   38.57674 ?          ?        342.1765 5.636965 ?        ?        ?         ?        
1 1 1 10 14 3  o 212.9765 4.128731 453.8440   17.58645 453.8440   17.58645 ?          ?        212.9765 4.128731 ?        ?        ?         ?        
1 1 1 10 14 4  o 384.8530 6.117442 1482.935   47.08631 1482.935   47.08631 ?          ?        384.8530 6.117442 ?        ?        ?         ?        
1 1 1 10 14 5  o 233.1684 4.501100 544.0455   20.99029 544.0455   20.99029 ?          ?        233.1684 4.501100 ?        ?        ?         ?        
1 1 1 10 14 6  o 358.2019 6.018278 1284.946   43.11518 1284.946   43.11518 ?          ?        358.2019 6.018278 ?        ?        ?         ?        
1 1 1 10 14 7  o 228.7065 6.077210 523.6225   27.79794 523.6225   27.79794 ?          ?        228.7065 6.077210 ?        ?        ?         ?        
1 1 1 10 14 8  o 818.1210 17.40495 6728.804   284.7871 6728.804   284.7871 ?          ?        818.1210 17.40495 ?        ?        ?         ?        
1 1 1 10 14 9  o 149.6549 4.927981 224.0854   14.74993 224.0854   14.74993 ?          ?        149.6549 4.927981 ?        ?        ?         ?        
1 1 1 10 14 10 o 404.6077 9.604460 1640.646   77.72078 1640.646   77.72078 ?          ?        404.6077 9.604460 ?        ?        ?         ?        
1 1 1 10 14 11 o 100.1622 5.380670 100.4130   10.77879 100.4130   10.77879 ?          ?        100.1622 5.380670 ?        ?        ?         ?        
1 1 1 10 14 12 o 467.1852 13.05377 2196.605   121.9706 2196.605   121.9706 ?          ?        467.1852 13.05377 ?        ?        ?         ?        
1 1 1 10 14 13 o 651.4909 15.19510 4288.258   197.9895 4288.258   197.9895 ?          ?        651.4909 15.19510 ?        ?        ?         ?        
1 1 1 10 14 14 o 311.9916 9.909920 979.1684   61.83624 979.1684   61.83624 ?          ?        311.9916 9.909920 ?        ?        ?         ?        
1 1 1 10 14 15 o 274.4883 9.197139 759.0541   50.49014 759.0541   50.49014 ?          ?        274.4883 9.197139 ?        ?        ?         ?        
1 1 1 10 14 16 o 324.3001 13.64471 1080.149   88.49958 1080.149   88.49958 ?          ?        324.3001 13.64471 ?        ?        ?         ?        
1 1 1 10 14 17 o 78.10024 21.49036 68.64390   34.60560 68.64390   34.60560 ?          ?        78.10024 21.49036 ?        ?        ?         ?        
1 1 1 10 14 18 o 159.4136 9.430553 260.3930   30.06716 260.3930   30.06716 ?          ?        159.4136 9.430553 ?        ?        ?         ?        
1 1 1 10 14 19 o 138.7867 10.21901 199.6914   28.36525 199.6914   28.36525 ?          ?        138.7867 10.21901 ?        ?        ?         ?        
1 1 1 10 15 0  o 836.1050 17.59073 7034.015   293.8640 7034.015   293.8640 7034.015   293.8640 836.1050 17.59073 836.1050 17.59073 -0.000000 0.000000 
1 1 1 10 15 1  o 56.82055 6.988905 32.33638   7.942269 32.33638   7.942269 ?          ?        56.82055 6.988905 ?        ?        ?         ?        
1 1 1 10 15 2  o 600.2564 8.978492 3612.598   107.7879 3612.598   107.7879 ?          ?        600.2564 8.978492 ?        ?        ?         ?        
1 1 1 10 15 3  o 323.3663 5.438555 1046.678   35.17290 1046.678   35.17290 ?          ?        323.3663 5.438555 ?        ?        ?         ?        
1 1 1 10 15 4  f 356.6165 5.567794 1273.032   39.71135 1273.032   39.71135 ?          ?        356.6165 5.567794 ?        ?        ?         ?        
1 1 1 10 15 5  o 541.1442 8.124661 2935.236   87.93227 2935.236   87.93227 ?          ?        541.1442 8.124661 ?        ?        ?         ?        
1 1 1 10 15 6  f 143.6624 3.948877 206.4990   11.34610 206.4990   11.34610 ?          ?        143.6624 3.948877 ?        ?        ?         ?        
1 1 1 10 15 7  o 379.4124 9.868451 1443.224   74.88425 1443.224   74.88425 ?          ?        379.4124 9.868451 ?        ?        ?         ?        
1 1 1 10 15 8  o 746.5582 15.91978 5597.598   237.7008 5597.598   237.7008 ?          ?        746.5582 15.91978 ?        ?        ?         ?        
1 1 1 10 15 9  o 471.7368 11.96575 2232.345   112.8937 2232.345   112.8937 ?          ?        471.7368 11.96575 ?        ?        ?         ?        
1 1 1 10 15 10 o 421.0579 10.77866 1777.934   90.76879 1777.934   90.76879 ?          ?        421.0579 10.77866 ?        ?        ?         ?        
1 1 1 10 15 11 o 119.7450 5.685130 143.5282   13.61532 143.5282   13.61532 ?          ?        119.7450 5.685130 ?        ?        ?         ?        
1 1 1 10 15 12 o 640.5664 16.20703 4144.163   207.6336 4144.163   207.6336 ?          ?        640.5664 16.20703 ?        ?        ?         ?        
1 1 1 10 15 13 o 587.6581 16.50776 3497.435   194.0183 3497.435   194.0183 ?          ?        587.6581 16.50776 ?        ?        ?         ?        
1 1 1 10 15 14 o 284.7230 8.667289 814.6500   49.35553 814.6500   49.35553 ?          ?        284.7230 8.667289 ?        ?        ?         ?        
1 1 1 10 15 15 o 127.8868 16.19137 167.3549   41.41326 167.3549   41.41326 ?          ?        127.8868 16.19137 ?        ?        ?         ?        
1 1 1 10 15 16 o 236.8691 9.460309 568.4396   44.81709 568.4396   44.81709 ?          ?        236.8691 9.460309 ?        ?        ?         ?        
1 1 1 10 15 17 f 156.4959 9.062619 249.0469   28.36525 249.0469   28.36525 ?          ?        156.4959 9.062619 ?        ?        ?         ?        
1 1 1 10 15 18 o 142.6940 9.541619 208.7682   27.23064 208.7682   27.23064 ?          ?        142.6940 9.541619 ?        ?        ?         ?        
1 1 1 10 15 19 o 121.7049 10.95409 154.3070   26.66333 154.3070   26.66333 ?          ?        121.7049 10.95409 ?        ?        ?         ?        
1 1 1 10 16 0  o 445.7979 9.936959 1993.510   88.49958 1993.510   88.49958 1993.510   88.49958 445.7979 9.936959 445.7979 9.936959 -0.000000 0.000000 
1 1 1 10 16 1  o 173.6856 3.756217 301.8062   13.04801 301.8062   13.04801 ?          ?        173.6856 3.756217 ?        ?        ?         ?        
1 1 1 10 16 2  o 428.2137 6.690327 1836.366   57.29780 1836.366   57.29780 ?          ?        428.2137 6.690327 ?        ?        ?         ?        
1 1 1 10 16 3  o 181.9726 3.896913 331.3061   14.18262 331.3061   14.18262 ?          ?        181.9726 3.896913 ?        ?        ?         ?        
1 1 1 10 16 4  o 506.7813 7.780022 2573.295   78.85539 2573.295   78.85539 ?          ?        506.7813 7.780022 ?        ?        ?         ?        
1 1 1 10 16 5  o 673.3238 10.70031 4553.757   144.0954 4553.757   144.0954 ?          ?        673.3238 10.70031 ?        ?        ?         ?        
1 1 1 10 16 6  o 264.5024 4.611322 700.0543   24.39412 700.0543   24.39412 ?          ?        264.5024 4.611322 ?        ?        ?         ?        
1 1 1 10 16 7  o 133.0075 4.691733 176.9992   12.48071 176.9992   12.48071 ?          ?        133.0075 4.691733 ?        ?        ?         ?        
1 1 1 10 16 8  o 601.8625 12.06505 3631.319   145.2301 3631.319   145.2301 ?          ?        601.8625 12.06505 ?        ?        ?         ?        
1 1 1 10 16 9  o 322.2906 8.889152 1040.437   57.29780 1040.437   57.29780 ?          ?        322.2906 8.889152 ?        ?        ?         ?        
1 1 1 10 16 10 o 394.6297 14.23187 1565.194   112.3264 1565.194   112.3264 ?          ?        394.6297 14.23187 ?        ?        ?         ?        
1 1 1 10 16 11 o 136.5487 5.816436 186.6433   15.88454 186.6433   15.88454 ?          ?        136.5487 5.816436 ?        ?        ?         ?        
1 1 1 10 16 12 o 395.9555 9.527782 1573.137   75.45156 1573.137   75.45156 ?          ?        395.9555 9.527782 ?        ?        ?         ?        
1 1 1 10 16 13 o 222.0495 8.431030 494.6899   37.44213 494.6899   37.44213 ?          ?        222.0495 8.431030 ?        ?        ?         ?        
1 1 1 10 16 14 f 193.2352 10.27539 376.1232   39.71135 376.1232   39.71135 ?          ?        193.2352 10.27539 ?        ?        ?         ?        
1 1 1 10 16 15 o 173.5448 8.989544 303.5081   31.20177 303.5081   31.20177 ?          ?        173.5448 8.989544 ?        ?        ?         ?        
1 1 1 10 16 16 o 147.1893 10.40648 220.1143   30.63447 220.1143   30.63447 ?          ?        147.1893 10.40648 ?        ?        ?         ?        
1 1 1 10 16 17 o 83.19817 13.63744 72.04772   22.69220 72.04772   22.69220 ?          ?        83.19817 13.63744 ?        ?        ?         ?        
1 1 1 10 16 18 o 217.7518 9.118490 485.0457   39.71135 485.0457   39.71135 ?          ?        217.7518 9.118490 ?        ?        ?         ?        
1 1 1 10 17 0  o 39.45958 14.72229 20.99029   10.77879 20.99029   10.77879 20.99029   10.77879 39.45958 14.72229 39.45958 14.72229 -0.000000 0.000000 
1 1 1 10 17 1  o 757.2769 11.16216 5758.146   169.0569 5758.146   169.0569 ?          ?        757.2769 11.16216 ?        ?        ?         ?        
1 1 1 10 17 2  o 364.9211 5.829736 1333.167   42.54787 1333.167   42.54787 ?          ?        364.9211 5.829736 ?        ?        ?         ?        
1 1 1 10 17 3  o 239.8903 4.256733 575.8145   20.42298 575.8145   20.42298 ?          ?        239.8903 4.256733 ?        ?        ?         ?        
1 1 1 10 17 4  o 342.6760 5.545973 1175.456   38.00943 1175.456   38.00943 ?          ?        342.6760 5.545973 ?        ?        ?         ?        
1 1 1 10 17 5  o 322.6387 5.187070 1042.139   33.47099 1042.139   33.47099 ?          ?        322.6387 5.187070 ?        ?        ?         ?        
1 1 1 10 17 6  o 495.1069 8.650966 2456.430   85.66305 2456.430   85.66305 ?          ?        495.1069 8.650966 ?        ?        ?         ?        
1 1 1 10 17 7  o 530.9257 11.43317 2826.313   121.4033 2826.313   121.4033 ?          ?        530.9257 11.43317 ?        ?        ?         ?        
1 1 1 10 17 8  o 296.4301 6.315507 879.3227   37.44213 879.3227   37.44213 ?          ?        296.4301 6.315507 ?        ?        ?         ?        
1 1 1 10 17 9  o 246.4005 6.101279 607.5836   30.06716 607.5836   30.06716 ?          ?        246.4005 6.101279 ?        ?        ?         ?        
1 1 1 10 17 10 f 212.5353 6.139222 452.1420   26.09603 452.1420   26.09603 ?          ?        212.5353 6.139222 ?        ?        ?         ?        
1 1 1 10 17 11 o 160.7576 5.822761 258.6910   18.72106 258.6910   18.72106 ?          ?        160.7576 5.822761 ?        ?        ?         ?        
1 1 1 10 17 12 o 338.6740 9.129167 1150.494   61.83624 1150.494   61.83624 ?          ?        338.6740 9.129167 ?        ?        ?         ?        
1 1 1 10 17 13 o 225.7274 9.801600 511.7091   44.24979 511.7091   44.24979 ?          ?        225.7274 9.801600 ?        ?        ?         ?        
1 1 1 10 17 14 o 365.7810 11.16678 1349.619   81.69191 1349.619   81.69191 ?          ?        365.7810 11.16678 ?        ?        ?         ?        
1 1 1 10 17 15 o 125.1039 10.20301 158.2781   25.52872 158.2781   25.52872 ?          ?        125.1039 10.20301 ?        ?        ?         ?        
1 1 1 10 17 16 o 54.91994 20.45738 26.09603   30.06716 26.09603   30.06716 ?          ?        54.91994 20.45738 ?        ?        ?         ?        
1 1 1 10 17 17 o 71.87876 17.50248 57.29780   24.96142 57.29780   24.96142 ?          ?        71.87876 17.50248 ?        ?        ?         ?        
1 1 1 10 17 18 o 265.2676 9.837625 722.7465   52.19205 722.7465   52.19205 ?          ?        265.2676 9.837625 ?        ?        ?         ?        
1 1 1 10 18 0  o 385.7427 8.613043 1492.012   66.37468 1492.012   66.37468 1492.012   66.37468 385.7427 8.613043 385.7427 8.613043 -0.000000 0.000000 
1 1 1 10 18 1  o 171.8795 3.795687 295.5659   13.04801 295.5659   13.04801 ?          ?        171.8795 3.795687 ?        ?        ?         ?        
1 1 1 10 18 2  o 48.53781 9.101918 24.39412   8.509575 24.39412   8.509575 ?          ?        48.53781 9.101918 ?        ?        ?         ?        
1 1 1 10 18 3  f 266.8117 5.315594 712.5350   28.36525 712.5350   28.36525 ?          ?        266.8117 5.315594 ?        ?        ?         ?        
1 1 1 10 18 4  o 240.1184 4.370821 576.9491   20.99029 576.9491   20.99029 ?          ?        240.1184 4.370821 ?        ?        ?         ?        
1 1 1 10 18 5  o 235.9318 4.448379 557.0934   20.99029 557.0934   20.99029 ?          ?        235.9318 4.448379 ?        ?        ?         ?        
1 1 1 10 18 6  o 509.7858 11.01702 2607.901   112.3264 2607.901   112.3264 ?          ?        509.7858 11.01702 ?        ?        ?         ?        
1 1 1 10 18 7  o 438.4181 9.575464 1925.433   83.96114 1925.433   83.96114 ?          ?        438.4181 9.575464 ?        ?        ?         ?        
1 1 1 10 18 8  o 395.1239 8.758164 1563.492   69.21120 1563.492   69.21120 ?          ?        395.1239 8.758164 ?        ?        ?         ?        
1 1 1 10 18 9  o 840.0446 17.79487 7100.956   298.9697 7100.956   298.9697 ?          ?        840.0446 17.79487 ?        ?        ?         ?        
1 1 1 10 18 10 o 364.4754 9.416808 1331.465   68.64390 1331.465   68.64390 ?          ?        364.4754 9.416808 ?        ?        ?         ?        
1 1 1 10 18 11 o 209.8338 8.921851 441.3633   37.44213 441.3633   37.44213 ?          ?        209.8338 8.921851 ?        ?        ?         ?        
1 1 1 10 18 12 o 180.9656 5.956268 327.9023   21.55759 327.9023   21.55759 ?          ?        180.9656 5.956268 ?        ?        ?         ?        
1 1 1 10 18 13 o 201.6613 6.048289 407.3250   24.39412 407.3250   24.39412 ?          ?        201.6613 6.048289 ?        ?        ?         ?        
1 1 1 10 18 14 o 78.12852 15.43473 64.10546   23.25950 64.10546   23.25950 ?          ?        78.12852 15.43473 ?        ?        ?         ?        
1 1 1 10 18 15 o 151.3694 9.182153 231.4604   27.79794 231.4604   27.79794 ?          ?        151.3694 9.182153 ?        ?        ?         ?        
1 1 1 10 18 16 o 34.80592 15.98130 -17.01915  25.52872 -17.01915  25.52872 ?          ?        34.80592 15.98130 ?        ?        ?         ?        
1 1 1 10 18 17 o 37.28213 16.02743 0.5673050  21.55759 0.5673050  21.55759 ?          ?        37.28213 16.02743 ?        ?        ?         ?        
1 1 1 10 18 18 o 37.40104 16.46309 -2.836525  23.82681 -2.836525  23.82681 ?          ?        37.40104 16.46309 ?        ?        ?         ?        
1 1 1 10 19 0  f 594.2571 12.70973 3545.656   150.9031 3545.656   150.9031 3545.656   150.9031 594.2571 12.70973 594.2571 12.70973 -0.000000 0.000000 
1 1 1 10 19 1  f 281.6156 4.733994 793.6596   26.66333 793.6596   26.66333 ?          ?        281.6156 4.733994 ?        ?        ?         ?        
1 1 1 10 19 2  o 274.8976 4.643316 756.2175   25.52872 756.2175   25.52872 ?          ?        274.8976 4.643316 ?        ?        ?         ?        
1 1 1 10 19 3  o 184.4468 3.998424 340.3830   14.74993 340.3830   14.74993 ?          ?        184.4468 3.998424 ?        ?        ?         ?        
1 1 1 10 19 4  o 404.0487 6.248026 1634.973   50.49014 1634.973   50.49014 ?          ?        404.0487 6.248026 ?        ?        ?         ?        
1 1 1 10 19 5  o 120.4701 4.473640 145.2301   10.77879 145.2301   10.77879 ?          ?        120.4701 4.473640 ?        ?        ?         ?        
1 1 1 10 19 6  o 312.4486 6.627212 977.4666   41.41326 977.4666   41.41326 ?          ?        312.4486 6.627212 ?        ?        ?         ?        
1 1 1 10 19 7  o 303.6795 6.911986 923.0052   41.98057 923.0052   41.98057 ?          ?        303.6795 6.911986 ?        ?        ?         ?        
1 1 1 10 19 8  o 372.8533 8.292302 1392.166   61.83624 1392.166   61.83624 ?          ?        372.8533 8.292302 ?        ?        ?         ?        
1 1 1 10 19 9  o 555.0532 15.84214 3096.918   175.8645 3096.918   175.8645 ?          ?        555.0532 15.84214 ?        ?        ?         ?        
1 1 1 10 19 10 o 133.3925 6.379349 178.1338   17.01915 178.1338   17.01915 ?          ?        133.3925 6.379349 ?        ?        ?         ?        
1 1 1 10 19 11 o 427.6190 10.28161 1834.664   87.93227 1834.664   87.93227 ?          ?        427.6190 10.28161 ?        ?        ?         ?        
1 1 1 10 19 12 o 376.0376 9.127266 1418.262   68.64390 1418.262   68.64390 ?          ?        376.0376 9.127266 ?        ?        ?         ?        
1 1 1 10 19 13 f 366.9001 9.045335 1351.320   66.37468 1351.320   66.37468 ?          ?        366.9001 9.045335 ?        ?        ?         ?        
1 1 1 10 19 14 o 582.6519 16.69827 3459.426   194.5856 3459.426   194.5856 ?          ?        582.6519 16.69827 ?        ?        ?         ?        
1 1 1 10 19 15 o 97.63104 11.91194 97.00916   23.25950 97.00916   23.25950 ?          ?        97.63104 11.91194 ?        ?        ?         ?        
1 1 1 10 19 16 o 227.3218 9.732854 524.7571   44.24979 524.7571   44.24979 ?          ?        227.3218 9.732854 ?        ?        ?         ?        
1 1 1 10 19 17 o 175.1817 9.067464 312.5851   31.76908 312.5851   31.76908 ?          ?        175.1817 9.067464 ?        ?        ?         ?        
1 1 1 10 19 18 o 65.87832 18.00611 49.35553   24.39412 49.35553   24.39412 ?          ?        65.87832 18.00611 ?        ?        ?         ?        
1 1 1 10 20 0  o 251.6354 6.321369 634.8142   31.76908 634.8142   31.76908 634.8142   31.76908 251.6354 6.321369 251.6354 6.321369 -0.000000 0.000000 
1 1 1 10 20 1  o 58.27742 8.274375 34.03830   9.644185 34.03830   9.644185 ?          ?        58.27742 8.274375 ?        ?        ?         ?        
1 1 1 10 20 2  o 328.8185 5.865962 1082.418   38.57674 1082.418   38.57674 ?          ?        328.8185 5.865962 ?        ?        ?         ?        
1 1 1 10 20 3  o 444.6725 6.825430 1980.462   60.70163 1980.462   60.70163 ?          ?        444.6725 6.825430 ?        ?        ?         ?        
1 1 1 10 20 4  f 558.9675 8.423802 3133.793   94.17262 3133.793   94.17262 ?          ?        558.9675 8.423802 ?        ?        ?         ?        
1 1 1 10 20 5  o 403.6868 7.307611 1632.136   58.99971 1632.136   58.99971 ?          ?        403.6868 7.307611 ?        ?        ?         ?        
1 1 1 10 20 6  o 278.8636 6.001320 778.3424   33.47099 778.3424   33.47099 ?          ?        278.8636 6.001320 ?        ?        ?         ?        
1 1 1 10 20 7  o 360.7810 8.098044 1303.099   58.43241 1303.099   58.43241 ?          ?        360.7810 8.098044 ?        ?        ?         ?        
1 1 1 10 20 8  o 214.4267 5.423648 460.0844   23.25950 460.0844   23.25950 ?          ?        214.4267 5.423648 ?        ?        ?         ?        
1 1 1 10 20 9  o 312.5541 10.16434 979.1684   63.53815 979.1684   63.53815 ?          ?        312.5541 10.16434 ?        ?        ?         ?        
1 1 1 10 20 10 o 229.1556 7.055551 525.8917   32.33638 525.8917   32.33638 ?          ?        229.1556 7.055551 ?        ?        ?         ?        
1 1 1 10 20 11 o 173.7996 5.549025 302.3735   19.28837 302.3735   19.28837 ?          ?        173.7996 5.549025 ?        ?        ?         ?        
1 1 1 10 20 12 o 423.1201 10.25686 1797.222   86.79766 1797.222   86.79766 ?          ?        423.1201 10.25686 ?        ?        ?         ?        
1 1 1 10 20 13 o 565.1656 16.06057 3237.042   181.5376 3237.042   181.5376 ?          ?        565.1656 16.06057 ?        ?        ?         ?        
1 1 1 10 20 14 o 123.9032 11.21761 154.8743   27.79794 154.8743   27.79794 ?          ?        123.9032 11.21761 ?        ?        ?         ?        
1 1 1 10 20 15 o 127.2898 9.804955 163.9511   24.96142 163.9511   24.96142 ?          ?        127.2898 9.804955 ?        ?        ?         ?        
1 1 1 10 20 16 o 186.6017 10.03264 353.9983   37.44213 353.9983   37.44213 ?          ?        186.6017 10.03264 ?        ?        ?         ?        
1 1 1 10 20 17 o 64.24012 18.72735 45.95170   25.52872 45.95170   25.52872 ?          ?        64.24012 18.72735 ?        ?        ?         ?        
1 1 1 10 20 18 o 118.1837 11.76049 145.7974   27.79794 145.7974   27.79794 ?          ?        118.1837 11.76049 ?        ?        ?         ?        
1 1 1 10 21 0  o 357.2746 8.187078 1279.840   58.43241 1279.840   58.43241 1279.840   58.43241 357.2746 8.187078 357.2746 8.187078 -0.000000 0.000000 
1 1 1 10 21 1  o 423.3741 6.565811 1794.953   55.59589 1794.953   55.59589 ?          ?        423.3741 6.565811 ?        ?        ?         ?        
1 1 1 10 21 2  o 185.8212 4.121498 345.4887   15.31723 345.4887   15.31723 ?          ?        185.8212 4.121498 ?        ?        ?         ?        
1 1 1 10 21 3  o 303.1053 5.053436 919.6014   30.63447 919.6014   30.63447 ?          ?        303.1053 5.053436 ?        ?        ?         ?        
1 1 1 10 21 4  o 322.0603 5.989056 1038.735   38.57674 1038.735   38.57674 ?          ?        322.0603 5.989056 ?        ?        ?         ?        
1 1 1 10 21 5  o 682.4601 14.71339 4685.939   200.8260 4685.939   200.8260 ?          ?        682.4601 14.71339 ?        ?        ?         ?        
1 1 1 10 21 6  o 303.5847 6.446971 922.4379   39.14404 922.4379   39.14404 ?          ?        303.5847 6.446971 ?        ?        ?         ?        
1 1 1 10 21 7  o 147.7490 5.567496 218.4124   16.45185 218.4124   16.45185 ?          ?        147.7490 5.567496 ?        ?        ?         ?        
1 1 1 10 21 8  o 612.7807 14.16456 3771.443   173.5953 3771.443   173.5953 ?          ?        612.7807 14.16456 ?        ?        ?         ?        
1 1 1 10 21 9  o 218.6013 5.709350 478.2381   24.96142 478.2381   24.96142 ?          ?        218.6013 5.709350 ?        ?        ?         ?        
1 1 1 10 21 10 o 374.8227 9.989291 1409.186   74.88425 1409.186   74.88425 ?          ?        374.8227 9.989291 ?        ?        ?         ?        
1 1 1 10 21 11 o 570.0837 13.48395 3271.081   153.7396 3271.081   153.7396 ?          ?        570.0837 13.48395 ?        ?        ?         ?        
1 1 1 10 21 12 o 387.9421 10.38264 1511.300   80.55730 1511.300   80.55730 ?          ?        387.9421 10.38264 ?        ?        ?         ?        
1 1 1 10 21 13 o 560.7388 14.36628 3179.744   161.1146 3179.744   161.1146 ?          ?        560.7388 14.36628 ?        ?        ?         ?        
1 1 1 10 21 14 o 222.1532 8.682466 496.3919   38.57674 496.3919   38.57674 ?          ?        222.1532 8.682466 ?        ?        ?         ?        
1 1 1 10 21 15 o 300.2341 10.67591 913.9283   64.10546 913.9283   64.10546 ?          ?        300.2341 10.67591 ?        ?        ?         ?        
1 1 1 10 21 16 o 148.3872 9.557852 223.5181   28.36525 223.5181   28.36525 ?          ?        148.3872 9.557852 ?        ?        ?         ?        
1 1 1 10 21 17 o 155.3157 10.22726 247.9123   31.76908 247.9123   31.76908 ?          ?        155.3157 10.22726 ?        ?        ?         ?        
1 1 1 10 21 18 o 205.5859 9.382145 434.5556   38.57674 434.5556   38.57674 ?          ?        205.5859 9.382145 ?        ?        ?         ?        
1 1 1 10 22 0  o 215.4796 6.198296 465.7574   26.66333 465.7574   26.66333 465.7574   26.66333 215.4796 6.198296 215.4796 6.198296 -0.000000 0.000000 
1 1 1 10 22 1  o 347.1102 5.556843 1206.090   38.57674 1206.090   38.57674 ?          ?        347.1102 5.556843 ?        ?        ?         ?        
1 1 1 10 22 2  f 465.1565 7.195642 2167.672   66.94199 2167.672   66.94199 ?          ?        465.1565 7.195642 ?        ?        ?         ?        
1 1 1 10 22 3  o 312.8907 5.620639 980.3030   35.17290 980.3030   35.17290 ?          ?        312.8907 5.620639 ?        ?        ?         ?        
1 1 1 10 22 4  o 225.2599 4.407282 507.7379   19.85567 507.7379   19.85567 ?          ?        225.2599 4.407282 ?        ?        ?         ?        
1 1 1 10 22 5  o 352.1151 7.411222 1241.830   52.19205 1241.830   52.19205 ?          ?        352.1151 7.411222 ?        ?        ?         ?        
1 1 1 10 22 6  o 232.1843 6.352682 539.5070   29.49986 539.5070   29.49986 ?          ?        232.1843 6.352682 ?        ?        ?         ?        
1 1 1 10 22 7  o 192.5751 5.008013 371.0175   19.28837 371.0175   19.28837 ?          ?        192.5751 5.008013 ?        ?        ?         ?        
1 1 1 10 22 8  o 486.6649 11.42385 2374.739   111.1918 2374.739   111.1918 ?          ?        486.6649 11.42385 ?        ?        ?         ?        
1 1 1 10 22 9  o 128.8818 5.282097 166.2204   13.61532 166.2204   13.61532 ?          ?        128.8818 5.282097 ?        ?        ?         ?        
1 1 1 10 22 10 o 424.6312 9.485561 1808.001   80.55730 1808.001   80.55730 ?          ?        424.6312 9.485561 ?        ?        ?         ?        
1 1 1 10 22 11 o 725.2975 15.87802 5310.542   230.3258 5310.542   230.3258 ?          ?        725.2975 15.87802 ?        ?        ?         ?        
1 1 1 10 22 12 o 305.3495 7.988917 934.9186   48.78823 934.9186   48.78823 ?          ?        305.3495 7.988917 ?        ?        ?         ?        
1 1 1 10 22 13 o 363.4683 9.755063 1328.061   70.91312 1328.061   70.91312 ?          ?        363.4683 9.755063 ?        ?        ?         ?        
1 1 1 10 22 14 o 222.5330 8.157782 498.0938   36.30752 498.0938   36.30752 ?          ?        222.5330 8.157782 ?        ?        ?         ?        
1 1 1 10 22 15 o 352.8302 12.62178 1269.628   89.06688 1269.628   89.06688 ?          ?        352.8302 12.62178 ?        ?        ?         ?        
1 1 1 10 22 16 o 156.3385 9.253174 247.9123   28.93255 247.9123   28.93255 ?          ?        156.3385 9.253174 ?        ?        ?         ?        
1 1 1 10 22 17 o 270.7017 9.640142 750.5444   52.19205 750.5444   52.19205 ?          ?        270.7017 9.640142 ?        ?        ?         ?        
1 1 1 10 22 18 o 191.3007 9.341370 376.1232   35.74022 376.1232   35.74022 ?          ?        191.3007 9.341370 ?        ?        ?         ?        
1 1 1 10 23 0  o 131.2591 6.297894 173.5953   16.45185 173.5953   16.45185 173.5953   16.45185 131.2591 6.297894 131.2591 6.297894 -0.000000 0.000000 
1 1 1 10 23 1  o 365.9764 5.967937 1341.109   43.68248 1341.109   43.68248 ?          ?        365.9764 5.967937 ?        ?        ?         ?        
1 1 1 10 23 2  o 404.5848 6.309858 1639.511   51.05745 1639.511   51.05745 ?          ?        404.5848 6.309858 ?        ?        ?         ?        
1 1 1 10 23 3  o 393.6250 7.278223 1552.714   57.29780 1552.714   57.29780 ?          ?        393.6250 7.278223 ?        ?        ?         ?        
1 1 1 10 23 4  o 548.6522 9.667877 3018.062   106.0860 3018.062   106.0860 ?          ?        548.6522 9.667877 ?        ?        ?         ?        
1 1 1 10 23 5  o 196.7708 5.333688 387.4693   20.99029 387.4693   20.99029 ?          ?        196.7708 5.333688 ?        ?        ?         ?        
1 1 1 10 23 6  o 282.5170 6.526124 798.7654   36.87482 798.7654   36.87482 ?          ?        282.5170 6.526124 ?        ?        ?         ?        
1 1 1 10 23 7  o 297.4492 6.770678 885.5631   40.27865 885.5631   40.27865 ?          ?        297.4492 6.770678 ?        ?        ?         ?        
1 1 1 10 23 8  o 458.0605 10.77489 2103.000   98.71106 2103.000   98.71106 ?          ?        458.0605 10.77489 ?        ?        ?         ?        
1 1 1 10 23 9  o 661.0264 16.60653 4400.017   219.5470 4400.017   219.5470 ?          ?        661.0264 16.60653 ?        ?        ?         ?        
1 1 1 10 23 10 o 573.2505 12.61776 3301.715   144.6628 3301.715   144.6628 ?          ?        573.2505 12.61776 ?        ?        ?         ?        
1 1 1 10 23 11 o 464.1329 12.03956 2165.970   111.7591 2165.970   111.7591 ?          ?        464.1329 12.03956 ?        ?        ?         ?        
1 1 1 10 23 12 o 170.4609 5.824114 291.0274   19.85567 291.0274   19.85567 ?          ?        170.4609 5.824114 ?        ?        ?         ?        
1 1 1 10 23 13 o 172.4958 6.906491 298.4024   23.82681 298.4024   23.82681 ?          ?        172.4958 6.906491 ?        ?        ?         ?        
1 1 1 10 23 14 o 297.3128 10.97162 893.5052   65.24007 893.5052   65.24007 ?          ?        297.3128 10.97162 ?        ?        ?         ?        
1 1 1 10 23 15 o 70.12884 19.24505 53.32666   27.79794 53.32666   27.79794 ?          ?        70.12884 19.24505 ?        ?        ?         ?        
1 1 1 10 23 16 o 147.6752 9.988090 221.8162   29.49986 221.8162   29.49986 ?          ?        147.6752 9.988090 ?        ?        ?         ?        
1 1 1 10 23 17 o 140.2697 11.93094 203.6625   33.47099 203.6625   33.47099 ?          ?        140.2697 11.93094 ?        ?        ?         ?        
1 1 1 10 23 18 o 44.22300 18.24188 10.77879   26.09603 10.77879   26.09603 ?          ?        44.22300 18.24188 ?        ?        ?         ?        
1 1 1 10 24 0  o 301.9775 7.336280 914.4956   44.24979 914.4956   44.24979 914.4956   44.24979 301.9775 7.336280 301.9775 7.336280 -0.000000 0.000000 
1 1 1 10 24 1  o 462.3579 7.055149 2142.144   65.24007 2142.144   65.24007 ?          ?        462.3579 7.055149 ?        ?        ?         ?        
1 1 1 10 24 2  o 266.5803 5.000995 711.4004   26.66333 711.4004   26.66333 ?          ?        266.5803 5.000995 ?        ?        ?         ?        
1 1 1 10 24 3  o 365.8011 6.668682 1339.974   48.78823 1339.974   48.78823 ?          ?        365.8011 6.668682 ?        ?        ?         ?        
1 1 1 10 24 4  o 219.4992 5.427540 482.2092   23.82681 482.2092   23.82681 ?          ?        219.4992 5.427540 ?        ?        ?         ?        
1 1 1 10 24 5  o 504.0609 10.97332 2547.199   110.6245 2547.199   110.6245 ?          ?        504.0609 10.97332 ?        ?        ?         ?        
1 1 1 10 24 6  o 233.6483 6.555679 546.3147   30.63447 546.3147   30.63447 ?          ?        233.6483 6.555679 ?        ?        ?         ?        
1 1 1 10 24 7  o 318.3032 7.307342 1014.341   46.51900 1014.341   46.51900 ?          ?        318.3032 7.307342 ?        ?        ?         ?        
1 1 1 10 24 8  f 245.1370 5.785591 601.3433   28.36525 601.3433   28.36525 ?          ?        245.1370 5.785591 ?        ?        ?         ?        
1 1 1 10 24 9  o 159.1836 5.345760 253.5853   17.01915 253.5853   17.01915 ?          ?        159.1836 5.345760 ?        ?        ?         ?        
1 1 1 10 24 10 o 333.6640 7.736040 1115.322   51.62476 1115.322   51.62476 ?          ?        333.6640 7.736040 ?        ?        ?         ?        
1 1 1 10 24 11 o 43.82441 13.53395 19.28837   13.04801 19.28837   13.04801 ?          ?        43.82441 13.53395 ?        ?        ?         ?        
1 1 1 10 24 12 o 236.5119 6.596236 560.4974   31.20177 560.4974   31.20177 ?          ?        236.5119 6.596236 ?        ?        ?         ?        
1 1 1 10 24 13 o 276.1115 8.218493 765.8617   45.38440 765.8617   45.38440 ?          ?        276.1115 8.218493 ?        ?        ?         ?        
1 1 1 10 24 14 o 336.6010 9.185391 1141.418   61.83624 1141.418   61.83624 ?          ?        336.6010 9.185391 ?        ?        ?         ?        
1 1 1 10 24 15 o 98.02462 12.15348 98.14376   23.82681 98.14376   23.82681 ?          ?        98.02462 12.15348 ?        ?        ?         ?        
1 1 1 10 24 16 o 144.4872 8.637935 211.6048   24.96142 211.6048   24.96142 ?          ?        144.4872 8.637935 ?        ?        ?         ?        
1 1 1 10 24 17 o 157.5651 8.101009 252.4507   25.52872 252.4507   25.52872 ?          ?        157.5651 8.101009 ?        ?        ?         ?        
1 1 1 10 24 18 o 107.6567 11.85654 121.4033   25.52872 121.4033   25.52872 ?          ?        107.6567 11.85654 ?        ?        ?         ?        
1 1 1 10 25 0  o 123.7537 8.328176 155.4416   20.42298 155.4416   20.42298 155.4416   20.42298 123.7537 8.328176 123.7537 8.328176 -0.000000 0.000000 
1 1 1 10 25 1  f 289.4652 5.781523 839.0439   33.47099 839.0439   33.47099 ?          ?        289.4652 5.781523 ?        ?        ?         ?        
1 1 1 10 25 2  o 76.00489 7.090856 57.86510   10.77879 57.86510   10.77879 ?          ?        76.00489 7.090856 ?        ?        ?         ?        
1 1 1 10 25 3  o 327.9198 5.363035 1076.177   35.17290 1076.177   35.17290 ?          ?        327.9198 5.363035 ?        ?        ?         ?        
1 1 1 10 25 4  o 507.1735 10.96191 2580.670   111.1918 2580.670   111.1918 ?          ?        507.1735 10.96191 ?        ?        ?         ?        
1 1 1 10 25 5  o 493.3148 10.11987 2438.277   99.84568 2438.277   99.84568 ?          ?        493.3148 10.11987 ?        ?        ?         ?        
1 1 1 10 25 6  o 294.8561 7.503624 870.2458   44.24979 870.2458   44.24979 ?          ?        294.8561 7.503624 ?        ?        ?         ?        
1 1 1 10 25 7  o 322.0478 8.367388 1038.735   53.89397 1038.735   53.89397 ?          ?        322.0478 8.367388 ?        ?        ?         ?        
1 1 1 10 25 8  o 293.5784 7.053186 862.8708   41.41326 862.8708   41.41326 ?          ?        293.5784 7.053186 ?        ?        ?         ?        
1 1 1 10 25 9  o 167.8385 5.577108 281.9506   18.72106 281.9506   18.72106 ?          ?        167.8385 5.577108 ?        ?        ?         ?        
1 1 1 10 25 10 o 95.77650 7.700182 91.90340   14.74993 91.90340   14.74993 ?          ?        95.77650 7.700182 ?        ?        ?         ?        
1 1 1 10 25 11 o 343.6943 8.005454 1183.965   55.02858 1183.965   55.02858 ?          ?        343.6943 8.005454 ?        ?        ?         ?        
1 1 1 10 25 12 o 295.0287 8.364530 873.0823   49.35553 873.0823   49.35553 ?          ?        295.0287 8.364530 ?        ?        ?         ?        
1 1 1 10 25 13 o 568.0280 18.32664 3302.282   208.2009 3302.282   208.2009 ?          ?        568.0280 18.32664 ?        ?        ?         ?        
1 1 1 10 25 14 o 281.2717 8.269406 796.4961   46.51900 796.4961   46.51900 ?          ?        281.2717 8.269406 ?        ?        ?         ?        
1 1 1 10 25 15 o 254.2259 8.368123 652.9680   42.54787 652.9680   42.54787 ?          ?        254.2259 8.368123 ?        ?        ?         ?        
1 1 1 10 25 16 o 60.79914 16.07963 40.27865   19.85567 40.27865   19.85567 ?          ?        60.79914 16.07963 ?        ?        ?         ?        
1 1 1 10 25 17 o 130.1113 9.592330 173.5953   24.96142 173.5953   24.96142 ?          ?        130.1113 9.592330 ?        ?        ?         ?        
1 1 1 10 25 18 o 77.31021 15.21816 66.37468   22.69220 66.37468   22.69220 ?          ?        77.31021 15.21816 ?        ?        ?         ?        
1 1 1 10 26 0  o 376.0620 8.684404 1418.262   65.24007 1418.262   65.24007 1418.262   65.24007 376.0620 8.684404 376.0620 8.684404 -0.000000 0.000000 
1 1 1 10 26 1  f 284.5486 6.280159 810.6788   35.74022 810.6788   35.74022 ?          ?        284.5486 6.280159 ?        ?        ?         ?        
1 1 1 10 26 2  o 237.9750 5.125353 566.7377   24.39412 566.7377   24.39412 ?          ?        237.9750 5.125353 ?        ?        ?         ?        
1 1 1 10 26 3  o 469.5818 10.32932 2211.922   97.00916 2211.922   97.00916 ?          ?        469.5818 10.32932 ?        ?        ?         ?        
1 1 1 10 26 4  o 282.1992 6.332446 797.0634   35.74022 797.0634   35.74022 ?          ?        282.1992 6.332446 ?        ?        ?         ?        
1 1 1 10 26 5  o 629.7158 14.54938 3980.212   183.2395 3980.212   183.2395 ?          ?        629.7158 14.54938 ?        ?        ?         ?        
1 1 1 10 26 6  o 535.0404 11.55730 2869.996   123.6725 2869.996   123.6725 ?          ?        535.0404 11.55730 ?        ?        ?         ?        
1 1 1 10 26 7  o 770.9798 17.80693 5982.231   274.5756 5982.231   274.5756 ?          ?        770.9798 17.80693 ?        ?        ?         ?        
1 1 1 10 26 8  f 394.8919 10.34358 1563.492   81.69191 1563.492   81.69191 ?          ?        394.8919 10.34358 ?        ?        ?         ?        
1 1 1 10 26 9  o 111.3887 6.620929 124.2398   14.74993 124.2398   14.74993 ?          ?        111.3887 6.620929 ?        ?        ?         ?        
1 1 1 10 26 10 o 436.6543 10.65351 1914.087   93.03801 1914.087   93.03801 ?          ?        436.6543 10.65351 ?        ?        ?         ?        
1 1 1 10 26 11 o 269.0686 7.801091 725.5831   41.98057 725.5831   41.98057 ?          ?        269.0686 7.801091 ?        ?        ?         ?        
1 1 1 10 26 12 o 283.3728 8.208094 805.5731   46.51900 805.5731   46.51900 ?          ?        283.3728 8.208094 ?        ?        ?         ?        
1 1 1 10 26 13 o 348.7061 9.273249 1223.109   64.67276 1223.109   64.67276 ?          ?        348.7061 9.273249 ?        ?        ?         ?        
1 1 1 10 26 14 o 167.6496 6.598555 282.5179   22.12490 282.5179   22.12490 ?          ?        167.6496 6.598555 ?        ?        ?         ?        
1 1 1 10 26 15 o 214.6704 8.852977 466.3247   38.00943 466.3247   38.00943 ?          ?        214.6704 8.852977 ?        ?        ?         ?        
1 1 1 10 26 16 o 229.1712 8.292802 533.2667   38.00943 533.2667   38.00943 ?          ?        229.1712 8.292802 ?        ?        ?         ?        
1 1 1 10 26 17 o 152.2456 9.129312 237.1335   27.79794 237.1335   27.79794 ?          ?        152.2456 9.129312 ?        ?        ?         ?        
1 1 1 10 26 18 o 188.2191 8.439389 363.0752   31.76908 363.0752   31.76908 ?          ?        188.2191 8.439389 ?        ?        ?         ?        
1 1 1 10 27 0  o 49.90602 18.45546 33.47099   17.01915 33.47099   17.01915 33.47099   17.01915 49.90602 18.45546 49.90602 18.45546 -0.000000 0.000000 
1 1 1 10 27 1  o 331.8512 7.179967 1102.841   47.65361 1102.841   47.65361 ?          ?        331.8512 7.179967 ?        ?        ?         ?        
1 1 1 10 27 2  o 338.4263 7.291918 1147.091   49.35553 1147.091   49.35553 ?          ?        338.4263 7.291918 ?        ?        ?         ?        
1 1 1 10 27 3  o 762.0552 16.34048 5846.645   249.0469 5846.645   249.0469 ?          ?        762.0552 16.34048 ?        ?        ?         ?        
1 1 1 10 27 4  o 291.9647 6.995018 853.2266   40.84595 853.2266   40.84595 ?          ?        291.9647 6.995018 ?        ?        ?         ?        
1 1 1 10 27 5  o 616.0618 15.70061 3811.155   193.4510 3811.155   193.4510 ?          ?        616.0618 15.70061 ?        ?        ?         ?        
1 1 1 10 27 6  o 332.2260 9.050216 1105.677   60.13433 1105.677   60.13433 ?          ?        332.2260 9.050216 ?        ?        ?         ?        
1 1 1 10 27 7  o 341.0293 8.483892 1164.677   57.86510 1164.677   57.86510 ?          ?        341.0293 8.483892 ?        ?        ?         ?        
1 1 1 10 27 8  o 394.6985 11.35477 1562.925   89.63419 1562.925   89.63419 ?          ?        394.6985 11.35477 ?        ?        ?         ?        
1 1 1 10 27 9  o 516.1074 13.24536 2677.679   136.7205 2677.679   136.7205 ?          ?        516.1074 13.24536 ?        ?        ?         ?        
1 1 1 10 27 10 o 348.0050 9.536453 1215.167   66.37468 1215.167   66.37468 ?          ?        348.0050 9.536453 ?        ?        ?         ?        
1 1 1 10 27 11 o 142.8099 5.958673 204.2298   17.01915 204.2298   17.01915 ?          ?        142.8099 5.958673 ?        ?        ?         ?        
1 1 1 10 27 12 o 215.4414 6.451392 465.1901   27.79794 465.1901   27.79794 ?          ?        215.4414 6.451392 ?        ?        ?         ?        
1 1 1 10 27 13 o 81.58643 9.039450 66.94199   14.74993 66.94199   14.74993 ?          ?        81.58643 9.039450 ?        ?        ?         ?        
1 1 1 10 27 14 o 20.54223 9.740126 -13.04801  10.77879 -13.04801  10.77879 ?          ?        20.54223 9.740126 ?        ?        ?         ?        
1 1 1 10 27 15 o 131.0947 10.16949 174.7299   26.66333 174.7299   26.66333 ?          ?        131.0947 10.16949 ?        ?        ?         ?        
1 1 1 10 27 16 o 48.92926 17.83838 22.12490   22.69220 22.12490   22.69220 ?          ?        48.92926 17.83838 ?        ?        ?         ?        
1 1 1 10 27 17 f 86.38068 12.14987 77.72078   20.99029 77.72078   20.99029 ?          ?        86.38068 12.14987 ?        ?        ?         ?        
1 1 1 10 28 0  o 264.6917 12.49044 706.8619   65.80738 706.8619   65.80738 706.8619   65.80738 264.6917 12.49044 264.6917 12.49044 -0.000000 0.000000 
1 1 1 10 28 1  o 498.1414 10.07876 2488.767   100.4130 2488.767   100.4130 ?          ?        498.1414 10.07876 ?        ?        ?         ?        
1 1 1 10 28 2  o 437.1093 8.955206 1914.654   78.28809 1914.654   78.28809 ?          ?        437.1093 8.955206 ?        ?        ?         ?        
1 1 1 10 28 3  o 561.6044 13.08145 3164.995   146.9320 3164.995   146.9320 ?          ?        561.6044 13.08145 ?        ?        ?         ?        
1 1 1 10 28 4  o 360.9286 8.173324 1304.234   58.99971 1304.234   58.99971 ?          ?        360.9286 8.173324 ?        ?        ?         ?        
1 1 1 10 28 5  o 74.14236 7.651564 55.02858   11.34610 55.02858   11.34610 ?          ?        74.14236 7.651564 ?        ?        ?         ?        
1 1 1 10 28 6  o 284.3899 6.582886 809.5441   37.44213 809.5441   37.44213 ?          ?        284.3899 6.582886 ?        ?        ?         ?        
1 1 1 10 28 7  o 575.0289 14.65053 3322.137   168.4896 3322.137   168.4896 ?          ?        575.0289 14.65053 ?        ?        ?         ?        
1 1 1 10 28 8  o 325.9796 7.657356 1064.264   49.92284 1064.264   49.92284 ?          ?        325.9796 7.657356 ?        ?        ?         ?        
1 1 1 10 28 9  o 283.2191 7.010713 803.3038   39.71135 803.3038   39.71135 ?          ?        283.2191 7.010713 ?        ?        ?         ?        
1 1 1 10 28 10 o 244.9056 6.601805 600.7759   32.33638 600.7759   32.33638 ?          ?        244.9056 6.601805 ?        ?        ?         ?        
1 1 1 10 28 11 f 408.7737 9.437187 1677.521   77.15348 1677.521   77.15348 ?          ?        408.7737 9.437187 ?        ?        ?         ?        
1 1 1 10 28 12 o 101.0158 10.67040 102.6822   21.55759 102.6822   21.55759 ?          ?        101.0158 10.67040 ?        ?        ?         ?        
1 1 1 10 28 13 o 136.1850 6.456824 186.0760   17.58645 186.0760   17.58645 ?          ?        136.1850 6.456824 ?        ?        ?         ?        
1 1 1 10 28 14 f 125.7275 6.317049 158.8454   15.88454 158.8454   15.88454 ?          ?        125.7275 6.317049 ?        ?        ?         ?        
1 1 1 10 28 15 o 35.61442 11.70778 12.48071   9.644185 12.48071   9.644185 ?          ?        35.61442 11.70778 ?        ?        ?         ?        
1 1 1 10 28 16 o 99.93394 11.06976 102.6822   22.12490 102.6822   22.12490 ?          ?        99.93394 11.06976 ?        ?        ?         ?        
1 1 1 10 28 17 o 108.5418 11.49853 122.5379   24.96142 122.5379   24.96142 ?          ?        108.5418 11.49853 ?        ?        ?         ?        
1 1 1 10 29 0  o 446.8140 13.16627 2005.990   117.4321 2005.990   117.4321 2005.990   117.4321 446.8140 13.16627 446.8140 13.16627 -0.000000 0.000000 
1 1 1 10 29 1  f 306.9714 7.022670 943.4282   43.11518 943.4282   43.11518 ?          ?        306.9714 7.022670 ?        ?        ?         ?        
1 1 1 10 29 2  o 242.0005 5.626153 586.0261   27.23064 586.0261   27.23064 ?          ?        242.0005 5.626153 ?        ?        ?         ?        
1 1 1 10 29 3  o 648.2631 13.08297 4215.643   169.6242 4215.643   169.6242 ?          ?        648.2631 13.08297 ?        ?        ?         ?        
1 1 1 10 29 4  o 915.9215 20.99704 8451.710   384.6328 8451.710   384.6328 ?          ?        915.9215 20.99704 ?        ?        ?         ?        
1 1 1 10 29 5  o 565.6210 14.59332 3213.215   165.0858 3213.215   165.0858 ?          ?        565.6210 14.59332 ?        ?        ?         ?        
1 1 1 10 29 6  o 582.8447 14.94074 3412.340   174.1626 3412.340   174.1626 ?          ?        582.8447 14.94074 ?        ?        ?         ?        
1 1 1 10 29 7  o 87.76820 8.079592 77.15348   14.18262 77.15348   14.18262 ?          ?        87.76820 8.079592 ?        ?        ?         ?        
1 1 1 10 29 8  o 160.7494 6.175971 258.6910   19.85567 258.6910   19.85567 ?          ?        160.7494 6.175971 ?        ?        ?         ?        
1 1 1 10 29 9  o 168.6662 5.886087 284.7871   19.85567 284.7871   19.85567 ?          ?        168.6662 5.886087 ?        ?        ?         ?        
1 1 1 10 29 10 o 183.2939 6.035360 336.4118   22.12490 336.4118   22.12490 ?          ?        183.2939 6.035360 ?        ?        ?         ?        
1 1 1 10 29 11 o 237.7034 6.563174 566.1703   31.20177 566.1703   31.20177 ?          ?        237.7034 6.563174 ?        ?        ?         ?        
1 1 1 10 29 12 o 459.3455 13.27656 2132.499   121.9706 2132.499   121.9706 ?          ?        459.3455 13.27656 ?        ?        ?         ?        
1 1 1 10 29 13 o 345.4822 8.292439 1200.984   57.29780 1200.984   57.29780 ?          ?        345.4822 8.292439 ?        ?        ?         ?        
1 1 1 10 29 14 o 252.0284 6.752869 638.7853   34.03830 638.7853   34.03830 ?          ?        252.0284 6.752869 ?        ?        ?         ?        
1 1 1 10 29 15 o 99.21912 7.147123 99.27837   14.18262 99.27837   14.18262 ?          ?        99.21912 7.147123 ?        ?        ?         ?        
1 1 1 10 29 16 o 61.43150 17.57524 41.98057   22.69220 41.98057   22.69220 ?          ?        61.43150 17.57524 ?        ?        ?         ?        
1 1 1 10 29 17 o 207.1994 8.213898 438.5268   34.03830 438.5268   34.03830 ?          ?        207.1994 8.213898 ?        ?        ?         ?        
1 1 1 10 30 0  o 182.4181 7.648357 334.7099   27.79794 334.7099   27.79794 334.7099   27.79794 182.4181 7.648357 182.4181 7.648357 -0.000000 0.000000 
1 1 1 10 30 1  o 191.9626 5.910577 368.7482   22.69220 368.7482   22.69220 ?          ?        191.9626 5.910577 ?        ?        ?         ?        
1 1 1 10 30 2  o 181.5029 5.313516 329.6042   19.28837 329.6042   19.28837 ?          ?        181.5029 5.313516 ?        ?        ?         ?        
1 1 1 10 30 3  o 1044.200 24.01349 11011.39   501.4976 11011.39   501.4976 ?          ?        1044.200 24.01349 ?        ?        ?         ?        
1 1 1 10 30 4  o 393.2960 8.294017 1548.743   65.24007 1548.743   65.24007 ?          ?        393.2960 8.294017 ?        ?        ?         ?        
1 1 1 10 30 5  o 82.44124 8.601657 68.07660   14.18262 68.07660   14.18262 ?          ?        82.44124 8.601657 ?        ?        ?         ?        
1 1 1 10 30 6  o 674.9507 15.67557 4578.151   211.6048 4578.151   211.6048 ?          ?        674.9507 15.67557 ?        ?        ?         ?        
1 1 1 10 30 7  o 810.8546 18.96020 6634.065   307.4793 6634.065   307.4793 ?          ?        810.8546 18.96020 ?        ?        ?         ?        
1 1 1 10 30 8  o 257.8337 7.810975 666.0161   40.27865 666.0161   40.27865 ?          ?        257.8337 7.810975 ?        ?        ?         ?        
1 1 1 10 30 9  o 554.0477 13.05508 3087.274   144.6628 3087.274   144.6628 ?          ?        554.0477 13.05508 ?        ?        ?         ?        
1 1 1 10 30 10 o 335.0176 8.043454 1124.966   53.89397 1124.966   53.89397 ?          ?        335.0176 8.043454 ?        ?        ?         ?        
1 1 1 10 30 11 o 416.0894 9.543946 1738.222   79.42269 1738.222   79.42269 ?          ?        416.0894 9.543946 ?        ?        ?         ?        
1 1 1 10 30 12 o 283.4897 7.404249 806.7077   41.98057 806.7077   41.98057 ?          ?        283.4897 7.404249 ?        ?        ?         ?        
1 1 1 10 30 13 o 140.6532 6.453377 198.5567   18.15376 198.5567   18.15376 ?          ?        140.6532 6.453377 ?        ?        ?         ?        
1 1 1 10 30 14 o 153.0434 6.116259 235.4316   18.72106 235.4316   18.72106 ?          ?        153.0434 6.116259 ?        ?        ?         ?        
1 1 1 10 30 15 o 124.0767 5.943876 154.8743   14.74993 154.8743   14.74993 ?          ?        124.0767 5.943876 ?        ?        ?         ?        
1 1 1 10 30 16 o 61.48621 18.14629 41.98057   23.82681 41.98057   23.82681 ?          ?        61.48621 18.14629 ?        ?        ?         ?        
1 1 1 10 30 17 o 166.7769 9.014186 285.3544   30.06716 285.3544   30.06716 ?          ?        166.7769 9.014186 ?        ?        ?         ?        
1 1 1 10 31 0  o 312.9176 9.355140 982.5721   58.43241 982.5721   58.43241 982.5721   58.43241 312.9176 9.355140 312.9176 9.355140 -0.000000 0.000000 
1 1 1 10 31 1  o 340.2851 7.168727 1159.004   48.78823 1159.004   48.78823 ?          ?        340.2851 7.168727 ?        ?        ?         ?        
1 1 1 10 31 2  o 763.4561 16.27334 5855.154   248.4796 5855.154   248.4796 ?          ?        763.4561 16.27334 ?        ?        ?         ?        
1 1 1 10 31 3  o 146.2015 5.820442 213.8740   17.01915 213.8740   17.01915 ?          ?        146.2015 5.820442 ?        ?        ?         ?        
1 1 1 10 31 4  o 150.4008 5.657934 226.3547   17.01915 226.3547   17.01915 ?          ?        150.4008 5.657934 ?        ?        ?         ?        
1 1 1 10 31 5  o 775.7099 17.91774 6057.115   277.9794 6057.115   277.9794 ?          ?        775.7099 17.91774 ?        ?        ?         ?        
1 1 1 10 31 6  o 329.0414 9.051600 1084.687   59.56702 1084.687   59.56702 ?          ?        329.0414 9.051600 ?        ?        ?         ?        
1 1 1 10 31 7  o 604.8066 15.28930 3680.107   184.9414 3680.107   184.9414 ?          ?        604.8066 15.28930 ?        ?        ?         ?        
1 1 1 10 31 8  f 268.2045 7.297426 720.4773   39.14404 720.4773   39.14404 ?          ?        268.2045 7.297426 ?        ?        ?         ?        
1 1 1 10 31 9  o 520.0057 13.36425 2721.929   138.9897 2721.929   138.9897 ?          ?        520.0057 13.36425 ?        ?        ?         ?        
1 1 1 10 31 10 o 260.0175 7.090834 677.3621   36.87482 677.3621   36.87482 ?          ?        260.0175 7.090834 ?        ?        ?         ?        
1 1 1 10 31 11 o 64.18179 10.60684 41.41326   13.61532 41.41326   13.61532 ?          ?        64.18179 10.60684 ?        ?        ?         ?        
1 1 1 10 31 12 o 64.34009 11.91038 43.11518   14.74993 43.11518   14.74993 ?          ?        64.34009 11.91038 ?        ?        ?         ?        
1 1 1 10 31 13 o 344.7656 8.967867 1198.148   61.83624 1198.148   61.83624 ?          ?        344.7656 8.967867 ?        ?        ?         ?        
1 1 1 10 31 14 o 54.27689 11.82583 31.20177   12.48071 31.20177   12.48071 ?          ?        54.27689 11.82583 ?        ?        ?         ?        
1 1 1 10 31 15 o 95.46028 6.834263 91.90340   13.04801 91.90340   13.04801 ?          ?        95.46028 6.834263 ?        ?        ?         ?        
1 1 1 10 31 16 o 238.2600 7.857408 576.3818   37.44213 576.3818   37.44213 ?          ?        238.2600 7.857408 ?        ?        ?         ?        
1 1 1 10 31 17 o 37.88137 16.66631 -2.269220  24.39412 -2.269220  24.39412 ?          ?        37.88137 16.66631 ?        ?        ?         ?        
1 1 1 10 32 0  o 654.2883 18.71890 4304.143   244.5084 4304.143   244.5084 4304.143   244.5084 654.2883 18.71890 654.2883 18.71890 -0.000000 0.000000 
1 1 1 10 32 1  o 74.51431 8.755374 55.59589   13.04801 55.59589   13.04801 ?          ?        74.51431 8.755374 ?        ?        ?         ?        
1 1 1 10 32 2  o 484.7346 10.00642 2353.748   97.00916 2353.748   97.00916 ?          ?        484.7346 10.00642 ?        ?        ?         ?        
1 1 1 10 32 3  o 768.3622 16.39093 5935.144   251.8834 5935.144   251.8834 ?          ?        768.3622 16.39093 ?        ?        ?         ?        
1 1 1 10 32 4  o 387.9145 8.774691 1507.329   68.07660 1507.329   68.07660 ?          ?        387.9145 8.774691 ?        ?        ?         ?        
1 1 1 10 32 5  o 552.1993 12.99605 3059.476   143.5282 3059.476   143.5282 ?          ?        552.1993 12.99605 ?        ?        ?         ?        
1 1 1 10 32 6  o 456.8756 11.79620 2094.490   107.7879 2094.490   107.7879 ?          ?        456.8756 11.79620 ?        ?        ?         ?        
1 1 1 10 32 7  o 294.5721 7.414565 869.1111   43.68248 869.1111   43.68248 ?          ?        294.5721 7.414565 ?        ?        ?         ?        
1 1 1 10 32 8  o 361.6554 8.862782 1311.042   64.10546 1311.042   64.10546 ?          ?        361.6554 8.862782 ?        ?        ?         ?        
1 1 1 10 32 9  o 340.3186 9.168402 1161.841   62.40355 1161.841   62.40355 ?          ?        340.3186 9.168402 ?        ?        ?         ?        
1 1 1 10 32 10 o 153.1174 6.483805 234.8643   19.85567 234.8643   19.85567 ?          ?        153.1174 6.483805 ?        ?        ?         ?        
1 1 1 10 32 11 o 304.2922 8.109891 929.2455   49.35553 929.2455   49.35553 ?          ?        304.2922 8.109891 ?        ?        ?         ?        
1 1 1 10 32 12 o 174.6244 6.334994 305.7773   22.12490 305.7773   22.12490 ?          ?        174.6244 6.334994 ?        ?        ?         ?        
1 1 1 10 32 13 o 492.4549 13.07513 2475.719   128.7782 2475.719   128.7782 ?          ?        492.4549 13.07513 ?        ?        ?         ?        
1 1 1 10 32 14 o 66.84914 10.18362 45.38440   13.61532 45.38440   13.61532 ?          ?        66.84914 10.18362 ?        ?        ?         ?        
1 1 1 10 32 15 o 118.8528 6.205123 142.3935   14.74993 142.3935   14.74993 ?          ?        118.8528 6.205123 ?        ?        ?         ?        
1 1 1 10 32 16 o 169.0038 6.881354 289.3255   23.25950 289.3255   23.25950 ?          ?        169.0038 6.881354 ?        ?        ?         ?        
1 1 1 10 32 17 o 130.9655 11.04587 178.7011   28.93255 178.7011   28.93255 ?          ?        130.9655 11.04587 ?        ?        ?         ?        
1 1 1 10 33 0  o 1081.082 30.62134 11812.42   660.9103 11812.42   660.9103 11812.42   660.9103 1081.082 30.62134 1081.082 30.62134 -0.000000 0.000000 
1 1 1 10 33 1  o 710.2153 14.21826 5062.629   201.9606 5062.629   201.9606 ?          ?        710.2153 14.21826 ?        ?        ?         ?        
1 1 1 10 33 2  o 172.3640 5.430677 297.2678   18.72106 297.2678   18.72106 ?          ?        172.3640 5.430677 ?        ?        ?         ?        
1 1 1 10 33 3  o 173.6358 6.861145 301.8062   23.82681 301.8062   23.82681 ?          ?        173.6358 6.861145 ?        ?        ?         ?        
1 1 1 10 33 4  f 413.4356 9.948252 1712.694   82.25922 1712.694   82.25922 ?          ?        413.4356 9.948252 ?        ?        ?         ?        
1 1 1 10 33 5  f 484.8008 12.34542 2358.287   119.7014 2358.287   119.7014 ?          ?        484.8008 12.34542 ?        ?        ?         ?        
1 1 1 10 33 6  o 93.99531 8.147872 88.49958   15.31723 88.49958   15.31723 ?          ?        93.99531 8.147872 ?        ?        ?         ?        
1 1 1 10 33 7  o 901.5653 22.84157 8257.123   411.8634 8257.123   411.8634 ?          ?        901.5653 22.84157 ?        ?        ?         ?        
1 1 1 10 33 8  o 414.2628 11.02393 1722.905   91.33610 1722.905   91.33610 ?          ?        414.2628 11.02393 ?        ?        ?         ?        
1 1 1 10 33 9  o 451.8970 10.85908 2050.808   98.14376 2050.808   98.14376 ?          ?        451.8970 10.85908 ?        ?        ?         ?        
1 1 1 10 33 10 o 163.3043 6.426739 267.2006   20.99029 267.2006   20.99029 ?          ?        163.3043 6.426739 ?        ?        ?         ?        
1 1 1 10 33 11 o 401.0919 12.09313 1621.925   97.00916 1621.925   97.00916 ?          ?        401.0919 12.09313 ?        ?        ?         ?        
1 1 1 10 33 12 o 277.3996 7.260042 772.6694   40.27865 772.6694   40.27865 ?          ?        277.3996 7.260042 ?        ?        ?         ?        
1 1 1 10 33 13 o 96.37377 7.946786 93.60532   15.31723 93.60532   15.31723 ?          ?        96.37377 7.946786 ?        ?        ?         ?        
1 1 1 10 33 14 o 96.58850 7.635447 94.17262   14.74993 94.17262   14.74993 ?          ?        96.58850 7.635447 ?        ?        ?         ?        
1 1 1 10 33 15 o 124.0995 6.399921 155.4416   15.88454 155.4416   15.88454 ?          ?        124.0995 6.399921 ?        ?        ?         ?        
1 1 1 10 33 16 o 178.9277 6.024106 323.3638   21.55759 323.3638   21.55759 ?          ?        178.9277 6.024106 ?        ?        ?         ?        
1 1 1 10 33 17 o 66.29572 17.65147 50.49014   23.82681 50.49014   23.82681 ?          ?        66.29572 17.65147 ?        ?        ?         ?        
1 1 1 10 34 0  o 507.5874 14.66825 2588.613   148.6339 2588.613   148.6339 2588.613   148.6339 507.5874 14.66825 507.5874 14.66825 -0.000000 0.000000 
1 1 1 10 34 1  o 605.6417 12.17711 3679.540   147.4993 3679.540   147.4993 ?          ?        605.6417 12.17711 ?        ?        ?         ?        
1 1 1 10 34 2  o 162.3690 5.240885 263.7968   17.01915 263.7968   17.01915 ?          ?        162.3690 5.240885 ?        ?        ?         ?        
1 1 1 10 34 3  o 212.2967 5.745289 451.0074   24.39412 451.0074   24.39412 ?          ?        212.2967 5.745289 ?        ?        ?         ?        
1 1 1 10 34 4  o 374.4547 9.317351 1404.647   69.77851 1404.647   69.77851 ?          ?        374.4547 9.317351 ?        ?        ?         ?        
1 1 1 10 34 5  o 377.3331 10.07318 1427.339   76.01886 1427.339   76.01886 ?          ?        377.3331 10.07318 ?        ?        ?         ?        
1 1 1 10 34 6  o 332.2902 8.280200 1106.245   55.02858 1106.245   55.02858 ?          ?        332.2902 8.280200 ?        ?        ?         ?        
1 1 1 10 34 7  o 397.9583 10.62026 1589.021   84.52843 1589.021   84.52843 ?          ?        397.9583 10.62026 ?        ?        ?         ?        
1 1 1 10 34 8  o 204.1926 6.251137 417.5364   25.52872 417.5364   25.52872 ?          ?        204.1926 6.251137 ?        ?        ?         ?        
1 1 1 10 34 9  o 192.1775 6.494367 369.8828   24.96142 369.8828   24.96142 ?          ?        192.1775 6.494367 ?        ?        ?         ?        
1 1 1 10 34 10 o 221.8339 6.393353 492.9881   28.36525 492.9881   28.36525 ?          ?        221.8339 6.393353 ?        ?        ?         ?        
1 1 1 10 34 11 o 301.2253 9.039959 912.2264   54.46128 912.2264   54.46128 ?          ?        301.2253 9.039959 ?        ?        ?         ?        
1 1 1 10 34 12 o 65.31528 10.85705 43.11518   14.18262 43.11518   14.18262 ?          ?        65.31528 10.85705 ?        ?        ?         ?        
1 1 1 10 34 13 o 78.17818 9.796361 61.83624   15.31723 61.83624   15.31723 ?          ?        78.17818 9.796361 ?        ?        ?         ?        
1 1 1 10 34 14 o 120.9874 6.798990 147.4993   16.45185 147.4993   16.45185 ?          ?        120.9874 6.798990 ?        ?        ?         ?        
1 1 1 10 34 15 o 141.6965 6.205679 202.5279   17.58645 202.5279   17.58645 ?          ?        141.6965 6.205679 ?        ?        ?         ?        
1 1 1 10 34 16 o 262.5626 7.130135 699.4871   37.44213 699.4871   37.44213 ?          ?        262.5626 7.130135 ?        ?        ?         ?        
1 1 1 10 35 0  o 611.9291 17.50703 3766.338   213.8740 3766.338   213.8740 3766.338   213.8740 611.9291 17.50703 611.9291 17.50703 -0.000000 0.000000 
1 1 1 10 35 1  o 520.8654 10.61930 2719.660   110.6245 2719.660   110.6245 ?          ?        520.8654 10.61930 ?        ?        ?         ?        
1 1 1 10 35 2  o 135.1084 5.878442 182.6722   15.88454 182.6722   15.88454 ?          ?        135.1084 5.878442 ?        ?        ?         ?        
1 1 1 10 35 3  o 662.3009 14.17618 4403.988   187.7779 4403.988   187.7779 ?          ?        662.3009 14.17618 ?        ?        ?         ?        
1 1 1 10 35 4  o 415.2686 10.79231 1729.146   89.63419 1729.146   89.63419 ?          ?        415.2686 10.79231 ?        ?        ?         ?        
1 1 1 10 35 5  o 690.4437 17.33687 4803.371   239.4027 4803.371   239.4027 ?          ?        690.4437 17.33687 ?        ?        ?         ?        
1 1 1 10 35 6  o 114.1251 7.704898 130.4801   17.58645 130.4801   17.58645 ?          ?        114.1251 7.704898 ?        ?        ?         ?        
1 1 1 10 35 7  f 247.9017 7.208547 615.5258   35.74022 615.5258   35.74022 ?          ?        247.9017 7.208547 ?        ?        ?         ?        
1 1 1 10 35 8  o 165.2203 6.695574 273.4410   22.12490 273.4410   22.12490 ?          ?        165.2203 6.695574 ?        ?        ?         ?        
1 1 1 10 35 9  o 475.3398 10.80093 2269.787   102.6822 2269.787   102.6822 ?          ?        475.3398 10.80093 ?        ?        ?         ?        
1 1 1 10 35 10 o 147.6276 6.724918 218.4124   19.85567 218.4124   19.85567 ?          ?        147.6276 6.724918 ?        ?        ?         ?        
1 1 1 10 35 11 o 404.4156 9.468746 1645.752   76.58617 1645.752   76.58617 ?          ?        404.4156 9.468746 ?        ?        ?         ?        
1 1 1 10 35 12 o 140.2313 6.675066 197.4221   18.72106 197.4221   18.72106 ?          ?        140.2313 6.675066 ?        ?        ?         ?        
1 1 1 10 35 13 o 216.2341 6.558921 470.2958   28.36525 470.2958   28.36525 ?          ?        216.2341 6.558921 ?        ?        ?         ?        
1 1 1 10 35 14 o 162.2016 6.470429 264.9314   20.99029 264.9314   20.99029 ?          ?        162.2016 6.470429 ?        ?        ?         ?        
1 1 1 10 35 15 o 104.3922 7.608106 110.6245   15.88454 110.6245   15.88454 ?          ?        104.3922 7.608106 ?        ?        ?         ?        
1 1 1 10 35 16 o 128.5434 6.399337 167.3549   16.45185 167.3549   16.45185 ?          ?        128.5434 6.399337 ?        ?        ?         ?        
1 1 1 10 36 0  o 21.37265 14.74876 -12.48071  19.85567 -12.48071  19.85567 -12.48071  19.85567 21.37265 14.74876 21.37265 14.74876 -0.000000 0.000000 
1 1 1 10 36 1  o 353.3858 7.866175 1250.340   55.59589 1250.340   55.59589 ?          ?        353.3858 7.866175 ?        ?        ?         ?        
1 1 1 10 36 2  o 287.3773 6.514454 826.5633   37.44213 826.5633   37.44213 ?          ?        287.3773 6.514454 ?        ?        ?         ?        
1 1 1 10 36 3  o 596.1561 13.08457 3567.781   156.0089 3567.781   156.0089 ?          ?        596.1561 13.08457 ?        ?        ?         ?        
1 1 1 10 36 4  o 266.0342 6.823843 708.5638   36.30752 708.5638   36.30752 ?          ?        266.0342 6.823843 ?        ?        ?         ?        
1 1 1 10 36 5  o 415.0083 10.93578 1728.011   90.76879 1728.011   90.76879 ?          ?        415.0083 10.93578 ?        ?        ?         ?        
1 1 1 10 36 6  o 40.91863 14.92399 13.61532   15.88454 13.61532   15.88454 ?          ?        40.91863 14.92399 ?        ?        ?         ?        
1 1 1 10 36 7  o 121.0941 7.729965 146.9320   18.72106 146.9320   18.72106 ?          ?        121.0941 7.729965 ?        ?        ?         ?        
1 1 1 10 36 8  o 291.1461 7.209535 849.2556   41.98057 849.2556   41.98057 ?          ?        291.1461 7.209535 ?        ?        ?         ?        
1 1 1 10 36 9  o 520.1496 11.72457 2722.496   121.9706 2722.496   121.9706 ?          ?        520.1496 11.72457 ?        ?        ?         ?        
1 1 1 10 36 10 o 442.7335 10.25095 1971.385   90.76879 1971.385   90.76879 ?          ?        442.7335 10.25095 ?        ?        ?         ?        
1 1 1 10 36 11 o 324.6904 7.775122 1058.591   50.49014 1058.591   50.49014 ?          ?        324.6904 7.775122 ?        ?        ?         ?        
1 1 1 10 36 12 o 245.0865 7.291345 604.1797   35.74022 604.1797   35.74022 ?          ?        245.0865 7.291345 ?        ?        ?         ?        
1 1 1 10 36 13 o 89.87070 8.837440 81.69191   15.88454 81.69191   15.88454 ?          ?        89.87070 8.837440 ?        ?        ?         ?        
1 1 1 10 36 14 o 141.9689 6.593367 203.0952   18.72106 203.0952   18.72106 ?          ?        141.9689 6.593367 ?        ?        ?         ?        
1 1 1 10 36 15 o 155.3844 6.389210 243.9411   19.85567 243.9411   19.85567 ?          ?        155.3844 6.389210 ?        ?        ?         ?        
1 1 1 10 36 16 f 69.19147 9.838872 49.35553   13.61532 49.35553   13.61532 ?          ?        69.19147 9.838872 ?        ?        ?         ?        
1 1 1 10 37 0  o 388.1125 13.55694 1514.704   104.9514 1514.704   104.9514 1514.704   104.9514 388.1125 13.55694 388.1125 13.55694 -0.000000 0.000000 
1 1 1 10 37 1  o 355.4429 7.900452 1265.090   56.16319 1265.090   56.16319 ?          ?        355.4429 7.900452 ?        ?        ?         ?        
1 1 1 10 37 2  o 174.1380 6.189801 303.5081   21.55759 303.5081   21.55759 ?          ?        174.1380 6.189801 ?        ?        ?         ?        
1 1 1 10 37 3  o 498.1250 11.84436 2489.902   117.9994 2489.902   117.9994 ?          ?        498.1250 11.84436 ?        ?        ?         ?        
1 1 1 10 37 4  o 429.8384 10.42650 1852.818   89.63419 1852.818   89.63419 ?          ?        429.8384 10.42650 ?        ?        ?         ?        
1 1 1 10 37 5  o 203.5090 6.550896 414.6999   26.66333 414.6999   26.66333 ?          ?        203.5090 6.550896 ?        ?        ?         ?        
1 1 1 10 37 6  o 299.2443 8.625854 897.4764   51.62476 897.4764   51.62476 ?          ?        299.2443 8.625854 ?        ?        ?         ?        
1 1 1 10 37 7  o 267.5371 6.997559 717.0735   37.44213 717.0735   37.44213 ?          ?        267.5371 6.997559 ?        ?        ?         ?        
1 1 1 10 37 8  o 169.1157 6.876801 286.4890   23.25950 286.4890   23.25950 ?          ?        169.1157 6.876801 ?        ?        ?         ?        
1 1 1 10 37 9  o 283.3846 7.306901 805.0057   41.41326 805.0057   41.41326 ?          ?        283.3846 7.306901 ?        ?        ?         ?        
1 1 1 10 37 10 o 450.0056 10.40046 2037.760   93.60532 2037.760   93.60532 ?          ?        450.0056 10.40046 ?        ?        ?         ?        
1 1 1 10 37 11 o 154.8047 6.962833 240.5373   21.55759 240.5373   21.55759 ?          ?        154.8047 6.962833 ?        ?        ?         ?        
1 1 1 10 37 12 o 301.3523 7.812501 915.0629   47.08631 915.0629   47.08631 ?          ?        301.3523 7.812501 ?        ?        ?         ?        
1 1 1 10 37 13 o 33.22550 13.85780 2.836525   15.31723 2.836525   15.31723 ?          ?        33.22550 13.85780 ?        ?        ?         ?        
1 1 1 10 37 14 o 160.6778 6.531795 260.3930   20.99029 260.3930   20.99029 ?          ?        160.6778 6.531795 ?        ?        ?         ?        
1 1 1 10 37 15 o 85.39391 8.636406 74.31695   14.74993 74.31695   14.74993 ?          ?        85.39391 8.636406 ?        ?        ?         ?        
1 1 1 10 37 16 o 272.8903 7.276066 757.3521   39.71135 757.3521   39.71135 ?          ?        272.8903 7.276066 ?        ?        ?         ?        
1 1 1 10 38 0  o 166.7585 9.071678 280.8159   30.06716 280.8159   30.06716 280.8159   30.06716 166.7585 9.071678 166.7585 9.071678 -0.000000 0.000000 
1 1 1 10 38 1  o 401.7634 9.107640 1617.386   73.18234 1617.386   73.18234 ?          ?        401.7634 9.107640 ?        ?        ?         ?        
1 1 1 10 38 2  o 477.4814 10.57426 2286.239   100.9803 2286.239   100.9803 ?          ?        477.4814 10.57426 ?        ?        ?         ?        
1 1 1 10 38 3  o 282.9524 6.917073 801.6019   39.14404 801.6019   39.14404 ?          ?        282.9524 6.917073 ?        ?        ?         ?        
1 1 1 10 38 4  o 373.2595 9.195200 1396.705   68.64390 1396.705   68.64390 ?          ?        373.2595 9.195200 ?        ?        ?         ?        
1 1 1 10 38 5  f 24.53765 11.62341 -18.72106  15.31723 -18.72106  15.31723 ?          ?        24.53765 11.62341 ?        ?        ?         ?        
1 1 1 10 38 6  o 249.7300 6.815019 624.6028   34.03830 624.6028   34.03830 ?          ?        249.7300 6.815019 ?        ?        ?         ?        
1 1 1 10 38 7  o 131.8473 7.099527 174.1626   18.72106 174.1626   18.72106 ?          ?        131.8473 7.099527 ?        ?        ?         ?        
1 1 1 10 38 8  o 253.9550 6.925026 646.1603   35.17290 646.1603   35.17290 ?          ?        253.9550 6.925026 ?        ?        ?         ?        
1 1 1 10 38 9  o 287.3546 7.205952 827.6979   41.41326 827.6979   41.41326 ?          ?        287.3546 7.205952 ?        ?        ?         ?        
1 1 1 10 38 10 o 229.6857 6.915771 529.2956   31.76908 529.2956   31.76908 ?          ?        229.6857 6.915771 ?        ?        ?         ?        
1 1 1 10 38 11 o 154.7539 6.965121 240.5373   21.55759 240.5373   21.55759 ?          ?        154.7539 6.965121 ?        ?        ?         ?        
1 1 1 10 38 12 o 350.8509 9.944184 1245.802   69.77851 1245.802   69.77851 ?          ?        350.8509 9.944184 ?        ?        ?         ?        
1 1 1 10 38 13 o 167.8232 6.591728 283.6525   22.12490 283.6525   22.12490 ?          ?        167.8232 6.591728 ?        ?        ?         ?        
1 1 1 10 38 14 o 109.0405 9.624991 121.4033   20.99029 121.4033   20.99029 ?          ?        109.0405 9.624991 ?        ?        ?         ?        
1 1 1 10 38 15 o 105.9589 7.495615 114.0283   15.88454 114.0283   15.88454 ?          ?        105.9589 7.495615 ?        ?        ?         ?        
1 1 1 10 38 16 o 237.0423 6.940469 571.2761   32.90369 571.2761   32.90369 ?          ?        237.0423 6.940469 ?        ?        ?         ?        
1 1 1 10 39 0  o 466.7033 17.12893 2194.903   159.4127 2194.903   159.4127 2194.903   159.4127 466.7033 17.12893 466.7033 17.12893 -0.000000 0.000000 
1 1 1 10 39 1  o 314.2256 7.582707 988.8126   47.65361 988.8126   47.65361 ?          ?        314.2256 7.582707 ?        ?        ?         ?        
1 1 1 10 39 2  o 524.7088 13.46070 2766.179   141.2589 2766.179   141.2589 ?          ?        524.7088 13.46070 ?        ?        ?         ?        
1 1 1 10 39 3  o 381.9423 9.357491 1462.512   71.48043 1462.512   71.48043 ?          ?        381.9423 9.357491 ?        ?        ?         ?        
1 1 1 10 39 4  o 143.0150 6.545141 204.7971   18.72106 204.7971   18.72106 ?          ?        143.0150 6.545141 ?        ?        ?         ?        
1 1 1 10 39 5  o 406.2301 10.68331 1655.963   86.79766 1655.963   86.79766 ?          ?        406.2301 10.68331 ?        ?        ?         ?        
1 1 1 10 39 6  o 284.0456 7.289897 808.4095   41.41326 808.4095   41.41326 ?          ?        284.0456 7.289897 ?        ?        ?         ?        
1 1 1 10 39 7  o 131.7962 8.608823 174.1626   22.69220 174.1626   22.69220 ?          ?        131.7962 8.608823 ?        ?        ?         ?        
1 1 1 10 39 8  o 354.0381 8.572754 1257.715   60.70163 1257.715   60.70163 ?          ?        354.0381 8.572754 ?        ?        ?         ?        
1 1 1 10 39 9  o 184.5621 6.916024 341.5176   25.52872 341.5176   25.52872 ?          ?        184.5621 6.916024 ?        ?        ?         ?        
1 1 1 10 39 10 o 163.7392 6.582905 268.9026   21.55759 268.9026   21.55759 ?          ?        163.7392 6.582905 ?        ?        ?         ?        
1 1 1 10 39 11 o 317.6198 8.573345 1015.476   54.46128 1015.476   54.46128 ?          ?        317.6198 8.573345 ?        ?        ?         ?        
1 1 1 10 39 12 o 76.67730 9.988115 59.56702   15.31723 59.56702   15.31723 ?          ?        76.67730 9.988115 ?        ?        ?         ?        
1 1 1 10 39 13 o 136.4986 8.104441 188.3452   22.12490 188.3452   22.12490 ?          ?        136.4986 8.104441 ?        ?        ?         ?        
1 1 1 10 39 14 o 123.1350 7.832203 153.7396   19.28837 153.7396   19.28837 ?          ?        123.1350 7.832203 ?        ?        ?         ?        
1 1 1 10 39 15 o 150.2294 6.797262 228.6239   20.42298 228.6239   20.42298 ?          ?        150.2294 6.797262 ?        ?        ?         ?        
1 1 1 10 39 16 o 115.6686 7.111627 136.1532   16.45185 136.1532   16.45185 ?          ?        115.6686 7.111627 ?        ?        ?         ?        
1 1 1 10 40 0  o 158.3898 9.930094 254.1526   31.20177 254.1526   31.20177 254.1526   31.20177 158.3898 9.930094 158.3898 9.930094 -0.000000 0.000000 
1 1 1 10 40 1  o 257.1230 7.060339 662.0449   36.30752 662.0449   36.30752 ?          ?        257.1230 7.060339 ?        ?        ?         ?        
1 1 1 10 40 2  o 452.8435 10.21001 2057.048   92.47070 2057.048   92.47070 ?          ?        452.8435 10.21001 ?        ?        ?         ?        
1 1 1 10 40 3  f 587.5019 12.93934 3469.070   152.0377 3469.070   152.0377 ?          ?        587.5019 12.93934 ?        ?        ?         ?        
1 1 1 10 40 4  o 246.6845 6.439213 609.2856   31.76908 609.2856   31.76908 ?          ?        246.6845 6.439213 ?        ?        ?         ?        
1 1 1 10 40 5  o 359.9206 9.851218 1299.696   70.91312 1299.696   70.91312 ?          ?        359.9206 9.851218 ?        ?        ?         ?        
1 1 1 10 40 6  o 199.4092 6.401090 398.2480   25.52872 398.2480   25.52872 ?          ?        199.4092 6.401090 ?        ?        ?         ?        
1 1 1 10 40 7  o 126.2812 9.209406 159.9800   23.25950 159.9800   23.25950 ?          ?        126.2812 9.209406 ?        ?        ?         ?        
1 1 1 10 40 8  o 284.1925 7.286129 809.5441   41.41326 809.5441   41.41326 ?          ?        284.1925 7.286129 ?        ?        ?         ?        
1 1 1 10 40 9  f 223.1323 6.864643 499.2284   30.63447 499.2284   30.63447 ?          ?        223.1323 6.864643 ?        ?        ?         ?        
1 1 1 10 40 10 o 50.25998 15.75102 25.52872   17.58645 25.52872   17.58645 ?          ?        50.25998 15.75102 ?        ?        ?         ?        
1 1 1 10 40 11 f 179.3824 6.483218 323.3638   23.25950 323.3638   23.25950 ?          ?        179.3824 6.483218 ?        ?        ?         ?        
1 1 1 10 40 12 o 85.21634 10.31871 73.74965   17.58645 73.74965   17.58645 ?          ?        85.21634 10.31871 ?        ?        ?         ?        
1 1 1 10 40 13 f 148.3692 6.691306 221.8162   19.85567 221.8162   19.85567 ?          ?        148.3692 6.691306 ?        ?        ?         ?        
1 1 1 10 40 14 o 61.94338 14.44711 41.98057   17.58645 41.98057   17.58645 ?          ?        61.94338 14.44711 ?        ?        ?         ?        
1 1 1 10 40 15 o 30.98388 13.28647 0.5673050  14.74993 0.5673050  14.74993 ?          ?        30.98388 13.28647 ?        ?        ?         ?        
1 1 1 10 41 0  o 635.1859 19.82537 4070.413   251.3161 4070.413   251.3161 4070.413   251.3161 635.1859 19.82537 635.1859 19.82537 -0.000000 0.000000 
1 1 1 10 41 1  o 97.48882 9.601646 95.30723   18.72106 95.30723   18.72106 ?          ?        97.48882 9.601646 ?        ?        ?         ?        
1 1 1 10 41 2  o 304.5880 7.357003 929.2455   44.81709 929.2455   44.81709 ?          ?        304.5880 7.357003 ?        ?        ?         ?        
1 1 1 10 41 3  o 528.1369 11.76208 2800.785   124.2398 2800.785   124.2398 ?          ?        528.1369 11.76208 ?        ?        ?         ?        
1 1 1 10 41 4  o 347.2482 9.720612 1209.494   67.50929 1209.494   67.50929 ?          ?        347.2482 9.720612 ?        ?        ?         ?        
1 1 1 10 41 5  o 254.9547 7.120386 651.2661   36.30752 651.2661   36.30752 ?          ?        254.9547 7.120386 ?        ?        ?         ?        
1 1 1 10 41 6  o 110.8115 8.447257 123.1052   18.72106 123.1052   18.72106 ?          ?        110.8115 8.447257 ?        ?        ?         ?        
1 1 1 10 41 7  o 113.7522 9.475682 129.9128   21.55759 129.9128   21.55759 ?          ?        113.7522 9.475682 ?        ?        ?         ?        
1 1 1 10 41 8  o 341.1189 8.232201 1167.514   56.16319 1167.514   56.16319 ?          ?        341.1189 8.232201 ?        ?        ?         ?        
1 1 1 10 41 9  o 216.1361 6.693133 468.5939   28.93255 468.5939   28.93255 ?          ?        216.1361 6.693133 ?        ?        ?         ?        
1 1 1 10 41 10 o 95.73153 10.07420 92.47070   19.28837 92.47070   19.28837 ?          ?        95.73153 10.07420 ?        ?        ?         ?        
1 1 1 10 41 11 o 83.43769 9.178846 70.34581   15.31723 70.34581   15.31723 ?          ?        83.43769 9.178846 ?        ?        ?         ?        
1 1 1 10 41 12 o 289.5014 10.67978 852.6594   61.83624 852.6594   61.83624 ?          ?        289.5014 10.67978 ?        ?        ?         ?        
1 1 1 10 41 13 o 110.5404 7.954763 123.6725   17.58645 123.6725   17.58645 ?          ?        110.5404 7.954763 ?        ?        ?         ?        
1 1 1 10 41 14 f 62.59980 13.95418 42.54787   17.01915 42.54787   17.01915 ?          ?        62.59980 13.95418 ?        ?        ?         ?        
1 1 1 10 41 15 o 240.9859 7.062300 589.9972   34.03830 589.9972   34.03830 ?          ?        240.9859 7.062300 ?        ?        ?         ?        
1 1 1 10 42 0  f 25.21511 17.25624 -13.61532  26.09603 -13.61532  26.09603 -13.61532  26.09603 25.21511 17.25624 25.21511 17.25624 -0.000000 0.000000 
1 1 1 10 42 1  o 97.78245 9.572814 95.87454   18.72106 95.87454   18.72106 ?          ?        97.78245 9.572814 ?        ?        ?         ?        
1 1 1 10 42 2  f 171.3117 6.623073 293.8640   22.69220 293.8640   22.69220 ?          ?        171.3117 6.623073 ?        ?        ?         ?        
1 1 1 10 42 3  o 182.3416 7.000247 333.0080   25.52872 333.0080   25.52872 ?          ?        182.3416 7.000247 ?        ?        ?         ?        
1 1 1 10 42 4  f 424.1771 10.29817 1806.299   87.36497 1806.299   87.36497 ?          ?        424.1771 10.29817 ?        ?        ?         ?        
1 1 1 10 42 5  o 528.8693 12.60393 2813.265   133.3167 2813.265   133.3167 ?          ?        528.8693 12.60393 ?        ?        ?         ?        
1 1 1 10 42 6  o 122.2272 8.122444 149.7685   19.85567 149.7685   19.85567 ?          ?        122.2272 8.122444 ?        ?        ?         ?        
1 1 1 10 42 7  o 136.4248 7.900908 186.6433   21.55759 186.6433   21.55759 ?          ?        136.4248 7.900908 ?        ?        ?         ?        
1 1 1 10 42 8  o 413.4005 12.41922 1723.472   102.6822 1723.472   102.6822 ?          ?        413.4005 12.41922 ?        ?        ?         ?        
1 1 1 10 42 9  o 241.8897 8.091301 587.7280   39.14404 587.7280   39.14404 ?          ?        241.8897 8.091301 ?        ?        ?         ?        
1 1 1 10 42 10 o 128.8103 7.707334 166.7877   19.85567 166.7877   19.85567 ?          ?        128.8103 7.707334 ?        ?        ?         ?        
1 1 1 10 42 11 o 108.6517 8.615173 119.1340   18.72106 119.1340   18.72106 ?          ?        108.6517 8.615173 ?        ?        ?         ?        
1 1 1 10 42 12 f 146.8200 6.955107 217.2778   20.42298 217.2778   20.42298 ?          ?        146.8200 6.955107 ?        ?        ?         ?        
1 1 1 10 42 13 o 152.4390 6.884816 234.8643   20.99029 234.8643   20.99029 ?          ?        152.4390 6.884816 ?        ?        ?         ?        
1 1 1 10 42 14 o 37.95642 14.48437 11.34610   15.31723 11.34610   15.31723 ?          ?        37.95642 14.48437 ?        ?        ?         ?        
1 1 1 10 42 15 o 90.42702 9.096753 83.96114   16.45185 83.96114   16.45185 ?          ?        90.42702 9.096753 ?        ?        ?         ?        
1 1 1 10 43 0  o 513.9189 16.37397 2660.093   167.9223 2660.093   167.9223 2660.093   167.9223 513.9189 16.37397 513.9189 16.37397 -0.000000 0.000000 
1 1 1 10 43 1  o 166.2390 7.507689 276.8448   24.96142 276.8448   24.96142 ?          ?        166.2390 7.507689 ?        ?        ?         ?        
1 1 1 10 43 2  o 222.8905 6.617568 497.5265   29.49986 497.5265   29.49986 ?          ?        222.8905 6.617568 ?        ?        ?         ?        
1 1 1 10 43 3  o 301.7951 7.707050 912.7936   46.51900 912.7936   46.51900 ?          ?        301.7951 7.707050 ?        ?        ?         ?        
1 1 1 10 43 4  o 408.5307 9.581666 1674.684   78.28809 1674.684   78.28809 ?          ?        408.5307 9.581666 ?        ?        ?         ?        
1 1 1 10 43 5  f 103.6690 9.029251 107.7879   18.72106 107.7879   18.72106 ?          ?        103.6690 9.029251 ?        ?        ?         ?        
1 1 1 10 43 6  o 337.2585 8.158221 1140.850   55.02858 1140.850   55.02858 ?          ?        337.2585 8.158221 ?        ?        ?         ?        
1 1 1 10 43 7  o 106.0208 9.631592 112.8937   20.42298 112.8937   20.42298 ?          ?        106.0208 9.631592 ?        ?        ?         ?        
1 1 1 10 43 8  o 283.9347 7.392645 808.9769   41.98057 808.9769   41.98057 ?          ?        283.9347 7.392645 ?        ?        ?         ?        
1 1 1 10 43 9  o 178.6982 7.142972 320.5273   25.52872 320.5273   25.52872 ?          ?        178.6982 7.142972 ?        ?        ?         ?        
1 1 1 10 43 10 o 175.8852 6.612125 310.8831   23.25950 310.8831   23.25950 ?          ?        175.8852 6.612125 ?        ?        ?         ?        
1 1 1 10 43 11 o 144.1413 7.281149 209.3355   20.99029 209.3355   20.99029 ?          ?        144.1413 7.281149 ?        ?        ?         ?        
1 1 1 10 43 12 o 147.2012 6.937099 218.4124   20.42298 218.4124   20.42298 ?          ?        147.2012 6.937099 ?        ?        ?         ?        
1 1 1 10 43 13 o 220.7078 6.940052 492.4207   30.63447 492.4207   30.63447 ?          ?        220.7078 6.940052 ?        ?        ?         ?        
1 1 1 10 43 14 o 36.65064 14.71411 7.942269   16.45185 7.942269   16.45185 ?          ?        36.65064 14.71411 ?        ?        ?         ?        
1 1 1 10 43 15 o 140.4151 7.272361 200.8260   20.42298 200.8260   20.42298 ?          ?        140.4151 7.272361 ?        ?        ?         ?        
1 1 1 10 44 0  o 91.46535 18.11676 93.03801   29.49986 93.03801   29.49986 93.03801   29.49986 91.46535 18.11676 91.46535 18.11676 -0.000000 0.000000 
1 1 1 10 44 1  f 317.6951 7.767751 1011.505   49.35553 1011.505   49.35553 ?          ?        317.6951 7.767751 ?        ?        ?         ?        
1 1 1 10 44 2  o 713.6059 15.62143 5139.216   222.9509 5139.216   222.9509 ?          ?        713.6059 15.62143 ?        ?        ?         ?        
1 1 1 10 44 3  o 147.8333 7.291183 218.9797   21.55759 218.9797   21.55759 ?          ?        147.8333 7.291183 ?        ?        ?         ?        
1 1 1 10 44 4  o 511.1924 13.42819 2630.026   137.2878 2630.026   137.2878 ?          ?        511.1924 13.42819 ?        ?        ?         ?        
1 1 1 10 44 5  o 127.8965 7.540619 163.9511   19.28837 163.9511   19.28837 ?          ?        127.8965 7.540619 ?        ?        ?         ?        
1 1 1 10 44 6  o 389.5526 9.174683 1523.214   71.48043 1523.214   71.48043 ?          ?        389.5526 9.174683 ?        ?        ?         ?        
1 1 1 10 44 7  o 125.1289 8.160774 157.1435   20.42298 157.1435   20.42298 ?          ?        125.1289 8.160774 ?        ?        ?         ?        
1 1 1 10 44 8  o 129.3042 7.897259 167.9223   20.42298 167.9223   20.42298 ?          ?        129.3042 7.897259 ?        ?        ?         ?        
1 1 1 10 44 9  o 126.3554 7.857072 160.5473   19.85567 160.5473   19.85567 ?          ?        126.3554 7.857072 ?        ?        ?         ?        
1 1 1 10 44 10 o 466.9544 13.91065 2232.912   129.9128 2232.912   129.9128 ?          ?        466.9544 13.91065 ?        ?        ?         ?        
1 1 1 10 44 11 o 174.6158 6.660193 306.9120   23.25950 306.9120   23.25950 ?          ?        174.6158 6.660193 ?        ?        ?         ?        
1 1 1 10 44 12 o 97.17577 9.340682 95.87454   18.15376 95.87454   18.15376 ?          ?        97.17577 9.340682 ?        ?        ?         ?        
1 1 1 10 44 13 o 215.7763 7.493032 472.5651   32.33638 472.5651   32.33638 ?          ?        215.7763 7.493032 ?        ?        ?         ?        
1 1 1 10 44 14 o 111.3609 8.150869 126.5090   18.15376 126.5090   18.15376 ?          ?        111.3609 8.150869 ?        ?        ?         ?        
1 1 1 10 44 15 o 39.17355 14.80803 13.04801   15.88454 13.04801   15.88454 ?          ?        39.17355 14.80803 ?        ?        ?         ?        
1 1 1 10 45 0  o 227.4808 9.891041 521.3533   44.81709 521.3533   44.81709 521.3533   44.81709 227.4808 9.891041 227.4808 9.891041 -0.000000 0.000000 
1 1 1 10 45 1  o 113.3080 9.012156 128.7782   20.42298 128.7782   20.42298 ?          ?        113.3080 9.012156 ?        ?        ?         ?        
1 1 1 10 45 2  o 98.26604 11.25765 97.00916   22.12490 97.00916   22.12490 ?          ?        98.26604 11.25765 ?        ?        ?         ?        
1 1 1 10 45 3  o 271.3091 7.318468 737.4965   39.71135 737.4965   39.71135 ?          ?        271.3091 7.318468 ?        ?        ?         ?        
1 1 1 10 45 4  f 701.0692 17.88331 4975.832   250.7488 4975.832   250.7488 ?          ?        701.0692 17.88331 ?        ?        ?         ?        
1 1 1 10 45 5  o 179.1357 7.125525 321.6619   25.52872 321.6619   25.52872 ?          ?        179.1357 7.125525 ?        ?        ?         ?        
1 1 1 10 45 6  o 233.0952 6.936304 544.6128   32.33638 544.6128   32.33638 ?          ?        233.0952 6.936304 ?        ?        ?         ?        
1 1 1 10 45 7  o 270.7026 7.334867 735.2272   39.71135 735.2272   39.71135 ?          ?        270.7026 7.334867 ?        ?        ?         ?        
1 1 1 10 45 8  o 165.0773 7.045033 273.4410   23.25950 273.4410   23.25950 ?          ?        165.0773 7.045033 ?        ?        ?         ?        
1 1 1 10 45 9  o 209.7840 6.760583 441.9306   28.36525 441.9306   28.36525 ?          ?        209.7840 6.760583 ?        ?        ?         ?        
1 1 1 10 45 10 o 247.1610 7.344912 614.9586   36.30752 614.9586   36.30752 ?          ?        247.1610 7.344912 ?        ?        ?         ?        
1 1 1 10 45 11 o 122.4523 9.265730 152.0377   22.69220 152.0377   22.69220 ?          ?        122.4523 9.265730 ?        ?        ?         ?        
1 1 1 10 45 12 o 144.0034 7.682071 209.9028   22.12490 209.9028   22.12490 ?          ?        144.0034 7.682071 ?        ?        ?         ?        
1 1 1 10 45 13 o 155.1325 6.765276 243.3738   20.99029 243.3738   20.99029 ?          ?        155.1325 6.765276 ?        ?        ?         ?        
1 1 1 10 45 14 o 188.0278 7.693688 360.2386   28.93255 360.2386   28.93255 ?          ?        188.0278 7.693688 ?        ?        ?         ?        
1 1 1 10 46 0  o 178.0171 10.10658 320.5273   35.74022 320.5273   35.74022 320.5273   35.74022 178.0171 10.10658 178.0171 10.10658 -0.000000 0.000000 
1 1 1 10 46 1  o 154.1870 7.910564 238.2681   24.39412 238.2681   24.39412 ?          ?        154.1870 7.910564 ?        ?        ?         ?        
1 1 1 10 46 2  o 125.1804 8.837205 157.1435   22.12490 157.1435   22.12490 ?          ?        125.1804 8.837205 ?        ?        ?         ?        
1 1 1 10 46 3  o 268.2444 7.296340 721.0446   39.14404 721.0446   39.14404 ?          ?        268.2444 7.296340 ?        ?        ?         ?        
1 1 1 10 46 4  o 349.4053 8.361696 1224.811   58.43241 1224.811   58.43241 ?          ?        349.4053 8.361696 ?        ?        ?         ?        
1 1 1 10 46 5  o 45.67914 16.24664 18.15376   18.72106 18.15376   18.72106 ?          ?        45.67914 16.24664 ?        ?        ?         ?        
1 1 1 10 46 6  o 423.4627 9.913639 1802.895   83.96114 1802.895   83.96114 ?          ?        423.4627 9.913639 ?        ?        ?         ?        
1 1 1 10 46 7  o 232.9781 6.939791 544.6128   32.33638 544.6128   32.33638 ?          ?        232.9781 6.939791 ?        ?        ?         ?        
1 1 1 10 46 8  o 113.3752 8.506430 129.3455   19.28837 129.3455   19.28837 ?          ?        113.3752 8.506430 ?        ?        ?         ?        
1 1 1 10 46 9  o 118.3443 8.388944 141.2589   19.85567 141.2589   19.85567 ?          ?        118.3443 8.388944 ?        ?        ?         ?        
1 1 1 10 46 10 o 473.1743 12.76865 2291.345   120.8360 2291.345   120.8360 ?          ?        473.1743 12.76865 ?        ?        ?         ?        
1 1 1 10 46 11 o 130.2303 7.841101 171.3261   20.42298 171.3261   20.42298 ?          ?        130.2303 7.841101 ?        ?        ?         ?        
1 1 1 10 46 12 o 286.0131 9.917467 836.2075   56.73050 836.2075   56.73050 ?          ?        286.0131 9.917467 ?        ?        ?         ?        
1 1 1 10 46 13 o 160.6664 6.885351 261.5276   22.12490 261.5276   22.12490 ?          ?        160.6664 6.885351 ?        ?        ?         ?        
1 1 1 10 46 14 o 60.84221 14.22641 40.84595   17.01915 40.84595   17.01915 ?          ?        60.84221 14.22641 ?        ?        ?         ?        
1 1 1 10 47 0  o 131.2258 13.43919 178.1338   34.60560 178.1338   34.60560 178.1338   34.60560 131.2258 13.43919 131.2258 13.43919 -0.000000 0.000000 
1 1 1 10 47 1  o 183.7000 7.102894 338.1137   26.09603 338.1137   26.09603 ?          ?        183.7000 7.102894 ?        ?        ?         ?        
1 1 1 10 47 2  o 366.5470 8.821892 1347.917   64.67276 1347.917   64.67276 ?          ?        366.5470 8.821892 ?        ?        ?         ?        
1 1 1 10 47 3  o 306.3289 7.963373 941.1589   48.78823 941.1589   48.78823 ?          ?        306.3289 7.963373 ?        ?        ?         ?        
1 1 1 10 47 4  o 113.5182 9.245338 129.3455   20.99029 129.3455   20.99029 ?          ?        113.5182 9.245338 ?        ?        ?         ?        
1 1 1 10 47 5  o 64.79976 15.86448 44.24979   20.42298 44.24979   20.42298 ?          ?        64.79976 15.86448 ?        ?        ?         ?        
1 1 1 10 47 6  o 270.1363 7.455245 732.3907   40.27865 732.3907   40.27865 ?          ?        270.1363 7.455245 ?        ?        ?         ?        
1 1 1 10 47 7  o 246.5191 7.133911 609.8528   35.17290 609.8528   35.17290 ?          ?        246.5191 7.133911 ?        ?        ?         ?        
1 1 1 10 47 8  o 158.1356 7.533666 251.3161   23.82681 251.3161   23.82681 ?          ?        158.1356 7.533666 ?        ?        ?         ?        
1 1 1 10 47 9  o 230.7002 7.131264 535.5359   32.90369 535.5359   32.90369 ?          ?        230.7002 7.131264 ?        ?        ?         ?        
1 1 1 10 47 10 o 415.9917 10.63718 1759.780   88.49958 1759.780   88.49958 ?          ?        415.9917 10.63718 ?        ?        ?         ?        
1 1 1 10 47 11 o 47.99347 15.80996 23.25950   17.58645 23.25950   17.58645 ?          ?        47.99347 15.80996 ?        ?        ?         ?        
1 1 1 10 47 12 o 274.6175 9.605971 771.5348   52.75936 771.5348   52.75936 ?          ?        274.6175 9.605971 ?        ?        ?         ?        
1 1 1 10 47 13 o 102.6334 9.120355 107.7879   18.72106 107.7879   18.72106 ?          ?        102.6334 9.120355 ?        ?        ?         ?        
1 1 1 10 47 14 o 67.94191 13.41990 50.49014   17.58645 50.49014   17.58645 ?          ?        67.94191 13.41990 ?        ?        ?         ?        
1 1 1 10 48 0  o 148.3965 12.00410 225.2201   35.17290 225.2201   35.17290 225.2201   35.17290 148.3965 12.00410 148.3965 12.00410 -0.000000 0.000000 
1 1 1 10 48 1  o 322.9557 7.992544 1046.110   51.62476 1046.110   51.62476 ?          ?        322.9557 7.992544 ?        ?        ?         ?        
1 1 1 10 48 2  o 559.0540 12.63375 3148.542   141.2589 3148.542   141.2589 ?          ?        559.0540 12.63375 ?        ?        ?         ?        
1 1 1 10 48 3  o 182.7470 7.139933 334.7099   26.09603 334.7099   26.09603 ?          ?        182.7470 7.139933 ?        ?        ?         ?        
1 1 1 10 48 4  o 354.0351 8.572827 1258.282   60.70163 1258.282   60.70163 ?          ?        354.0351 8.572827 ?        ?        ?         ?        
1 1 1 10 48 5  o 237.8000 7.395481 567.3050   35.17290 567.3050   35.17290 ?          ?        237.8000 7.395481 ?        ?        ?         ?        
1 1 1 10 48 6  f 50.27676 16.79901 24.39412   19.85567 24.39412   19.85567 ?          ?        50.27676 16.79901 ?        ?        ?         ?        
1 1 1 10 48 7  f 365.8199 8.839427 1347.349   64.67276 1347.349   64.67276 ?          ?        365.8199 8.839427 ?        ?        ?         ?        
1 1 1 10 48 8  o 120.6864 8.696212 146.9320   20.99029 146.9320   20.99029 ?          ?        120.6864 8.696212 ?        ?        ?         ?        
1 1 1 10 48 9  o 52.60254 16.77106 28.36525   19.85567 28.36525   19.85567 ?          ?        52.60254 16.77106 ?        ?        ?         ?        
1 1 1 10 48 10 o 230.2801 7.760161 535.5359   35.74022 535.5359   35.74022 ?          ?        230.2801 7.760161 ?        ?        ?         ?        
1 1 1 10 48 11 o 147.0255 7.138316 218.4124   20.99029 218.4124   20.99029 ?          ?        147.0255 7.138316 ?        ?        ?         ?        
1 1 1 10 48 12 o 161.8170 6.836395 264.9314   22.12490 264.9314   22.12490 ?          ?        161.8170 6.836395 ?        ?        ?         ?        
1 1 1 10 48 13 o 93.64774 13.93308 93.03801   26.09603 93.03801   26.09603 ?          ?        93.64774 13.93308 ?        ?        ?         ?        
1 1 1 10 48 14 o 146.1166 7.182715 217.2778   20.99029 217.2778   20.99029 ?          ?        146.1166 7.182715 ?        ?        ?         ?        
1 1 1 10 49 0  o 42.84677 24.02995 25.52872   30.63447 25.52872   30.63447 25.52872   30.63447 42.84677 24.02995 42.84677 24.02995 -0.000000 0.000000 
1 1 1 10 49 1  o 308.2968 7.912541 953.0723   48.78823 953.0723   48.78823 ?          ?        308.2968 7.912541 ?        ?        ?         ?        
1 1 1 10 49 2  o 334.9564 8.298973 1125.533   55.59589 1125.533   55.59589 ?          ?        334.9564 8.298973 ?        ?        ?         ?        
1 1 1 10 49 3  o 212.7289 7.333694 453.8440   31.20177 453.8440   31.20177 ?          ?        212.7289 7.333694 ?        ?        ?         ?        
1 1 1 10 49 4  o 250.5887 7.018054 629.7086   35.17290 629.7086   35.17290 ?          ?        250.5887 7.018054 ?        ?        ?         ?        
1 1 1 10 49 5  o 133.7321 8.908406 179.8357   23.82681 179.8357   23.82681 ?          ?        133.7321 8.908406 ?        ?        ?         ?        
1 1 1 10 49 6  o 373.1505 10.49015 1403.512   78.28809 1403.512   78.28809 ?          ?        373.1505 10.49015 ?        ?        ?         ?        
1 1 1 10 49 7  o 418.6646 9.824000 1767.722   82.25922 1767.722   82.25922 ?          ?        418.6646 9.824000 ?        ?        ?         ?        
1 1 1 10 49 8  o 151.9897 7.465042 232.5950   22.69220 232.5950   22.69220 ?          ?        151.9897 7.465042 ?        ?        ?         ?        
1 1 1 10 49 9  o 143.3345 7.322131 207.0663   20.99029 207.0663   20.99029 ?          ?        143.3345 7.322131 ?        ?        ?         ?        
1 1 1 10 49 10 o 154.0335 7.365993 239.4027   22.69220 239.4027   22.69220 ?          ?        154.0335 7.365993 ?        ?        ?         ?        
1 1 1 10 49 11 o 63.30581 14.99746 43.68248   18.72106 43.68248   18.72106 ?          ?        63.30581 14.99746 ?        ?        ?         ?        
1 1 1 10 49 12 o 75.81804 11.59780 59.56702   17.58645 59.56702   17.58645 ?          ?        75.81804 11.59780 ?        ?        ?         ?        
1 1 1 10 49 13 o 44.38687 16.41471 18.15376   19.28837 18.15376   19.28837 ?          ?        44.38687 16.41471 ?        ?        ?         ?        
1 1 1 10 50 0  o 316.8001 11.40344 1010.937   72.04772 1010.937   72.04772 1010.937   72.04772 316.8001 11.40344 316.8001 11.40344 -0.000000 0.000000 
1 1 1 10 50 1  o 285.0939 7.462080 815.2172   42.54787 815.2172   42.54787 ?          ?        285.0939 7.462080 ?        ?        ?         ?        
1 1 1 10 50 2  o 868.8297 19.19682 7701.165   333.5753 7701.165   333.5753 ?          ?        868.8297 19.19682 ?        ?        ?         ?        
1 1 1 10 50 3  o 249.1817 7.399185 622.9009   36.87482 622.9009   36.87482 ?          ?        249.1817 7.399185 ?        ?        ?         ?        
1 1 1 10 50 4  o 281.7484 7.651362 797.0634   43.11518 797.0634   43.11518 ?          ?        281.7484 7.651362 ?        ?        ?         ?        
1 1 1 10 50 5  o 146.1358 7.764081 214.4413   22.69220 214.4413   22.69220 ?          ?        146.1358 7.764081 ?        ?        ?         ?        
1 1 1 10 50 6  o 128.9372 10.55965 167.9223   27.23064 167.9223   27.23064 ?          ?        128.9372 10.55965 ?        ?        ?         ?        
1 1 1 10 50 7  o 375.7851 9.133400 1426.205   68.64390 1426.205   68.64390 ?          ?        375.7851 9.133400 ?        ?        ?         ?        
1 1 1 10 50 8  o 48.50024 16.55731 22.69220   19.28837 22.69220   19.28837 ?          ?        48.50024 16.55731 ?        ?        ?         ?        
1 1 1 10 50 9  o 218.5785 7.137431 481.6419   31.20177 481.6419   31.20177 ?          ?        218.5785 7.137431 ?        ?        ?         ?        
1 1 1 10 50 10 o 229.5590 8.155229 533.2667   37.44213 533.2667   37.44213 ?          ?        229.5590 8.155229 ?        ?        ?         ?        
1 1 1 10 50 11 o 151.0303 6.949029 230.8931   20.99029 230.8931   20.99029 ?          ?        151.0303 6.949029 ?        ?        ?         ?        
1 1 1 10 50 12 o 44.27714 16.40660 17.58645   19.28837 17.58645   19.28837 ?          ?        44.27714 16.40660 ?        ?        ?         ?        
1 1 1 10 50 13 o 169.3474 7.034891 291.5948   23.82681 291.5948   23.82681 ?          ?        169.3474 7.034891 ?        ?        ?         ?        
1 1 1 10 51 0  o 90.02342 20.25459 93.03801   31.76908 93.03801   31.76908 93.03801   31.76908 90.02342 20.25459 90.02342 20.25459 -0.000000 0.000000 
1 1 1 10 51 1  o 429.9338 10.16028 1859.626   87.36497 1859.626   87.36497 ?          ?        429.9338 10.16028 ?        ?        ?         ?        
1 1 1 10 51 2  o 133.0888 9.377732 178.1338   24.96142 178.1338   24.96142 ?          ?        133.0888 9.377732 ?        ?        ?         ?        
1 1 1 10 51 3  o 362.1092 8.851677 1318.417   64.10546 1318.417   64.10546 ?          ?        362.1092 8.851677 ?        ?        ?         ?        
1 1 1 10 51 4  o 95.15345 11.32780 91.33610   21.55759 91.33610   21.55759 ?          ?        95.15345 11.32780 ?        ?        ?         ?        
1 1 1 10 51 5  o 42.94521 16.46117 13.04801   19.85567 13.04801   19.85567 ?          ?        42.94521 16.46117 ?        ?        ?         ?        
1 1 1 10 51 6  o 190.5468 8.038570 365.3444   30.63447 365.3444   30.63447 ?          ?        190.5468 8.038570 ?        ?        ?         ?        
1 1 1 10 51 7  o 122.6943 9.016271 152.0377   22.12490 152.0377   22.12490 ?          ?        122.6943 9.016271 ?        ?        ?         ?        
1 1 1 10 51 8  o 59.93805 16.18401 38.57674   19.85567 38.57674   19.85567 ?          ?        59.93805 16.18401 ?        ?        ?         ?        
1 1 1 10 51 9  o 62.84377 15.06746 42.54787   18.72106 42.54787   18.72106 ?          ?        62.84377 15.06746 ?        ?        ?         ?        
1 1 1 10 51 10 o 155.7283 6.921538 245.0758   21.55759 245.0758   21.55759 ?          ?        155.7283 6.921538 ?        ?        ?         ?        
1 1 1 10 51 11 o 150.1944 7.365420 228.6239   22.12490 228.6239   22.12490 ?          ?        150.1944 7.365420 ?        ?        ?         ?        
1 1 1 10 51 12 o 114.4706 9.168420 134.4513   20.99029 134.4513   20.99029 ?          ?        114.4706 9.168420 ?        ?        ?         ?        
1 1 1 10 51 13 o 76.16154 11.54550 60.70163   17.58645 60.70163   17.58645 ?          ?        76.16154 11.54550 ?        ?        ?         ?        
1 1 1 10 52 0  o 181.0618 11.21166 333.0080   40.27865 333.0080   40.27865 333.0080   40.27865 181.0618 11.21166 181.0618 11.21166 -0.000000 0.000000 
1 1 1 10 52 1  o 285.9662 8.034465 821.4576   45.95170 821.4576   45.95170 ?          ?        285.9662 8.034465 ?        ?        ?         ?        
1 1 1 10 52 2  o 425.1133 9.875149 1819.347   83.96114 1819.347   83.96114 ?          ?        425.1133 9.875149 ?        ?        ?         ?        
1 1 1 10 52 3  o 155.0959 8.229980 241.6719   25.52872 241.6719   25.52872 ?          ?        155.0959 8.229980 ?        ?        ?         ?        
1 1 1 10 52 4  o 103.3182 10.70716 107.7879   22.12490 107.7879   22.12490 ?          ?        103.3182 10.70716 ?        ?        ?         ?        
1 1 1 10 52 5  o 256.9182 7.286779 663.1795   37.44213 663.1795   37.44213 ?          ?        256.9182 7.286779 ?        ?        ?         ?        
1 1 1 10 52 6  o 364.2665 8.877122 1339.974   64.67276 1339.974   64.67276 ?          ?        364.2665 8.877122 ?        ?        ?         ?        
1 1 1 10 52 7  o 194.9088 6.985482 382.3636   27.23064 382.3636   27.23064 ?          ?        194.9088 6.985482 ?        ?        ?         ?        
1 1 1 10 52 8  o 216.5625 6.941913 472.5651   30.06716 472.5651   30.06716 ?          ?        216.5625 6.941913 ?        ?        ?         ?        
1 1 1 10 52 9  o 103.7733 9.840193 109.4899   20.42298 109.4899   20.42298 ?          ?        103.7733 9.840193 ?        ?        ?         ?        
1 1 1 10 52 10 o 53.05193 16.46956 30.06716   19.28837 30.06716   19.28837 ?          ?        53.05193 16.46956 ?        ?        ?         ?        
1 1 1 10 52 11 o 95.16773 11.02805 93.60532   20.99029 93.60532   20.99029 ?          ?        95.16773 11.02805 ?        ?        ?         ?        
1 1 1 10 52 12 o 237.1293 7.296778 571.8434   34.60560 571.8434   34.60560 ?          ?        237.1293 7.296778 ?        ?        ?         ?        
1 1 1 10 53 0  o 39.63081 23.52305 18.72106   31.76908 18.72106   31.76908 18.72106   31.76908 39.63081 23.52305 39.63081 23.52305 -0.000000 0.000000 
1 1 1 10 53 1  o 207.7962 7.371277 433.4210   30.63447 433.4210   30.63447 ?          ?        207.7962 7.371277 ?        ?        ?         ?        
1 1 1 10 53 2  o 288.6228 7.763956 836.7748   44.81709 836.7748   44.81709 ?          ?        288.6228 7.763956 ?        ?        ?         ?        
1 1 1 10 53 3  o 272.8874 7.380085 748.2752   40.27865 748.2752   40.27865 ?          ?        272.8874 7.380085 ?        ?        ?         ?        
1 1 1 10 53 4  o 218.6029 7.006877 479.9400   30.63447 479.9400   30.63447 ?          ?        218.6029 7.006877 ?        ?        ?         ?        
1 1 1 10 53 5  o 56.87019 17.90578 33.47099   22.69220 33.47099   22.69220 ?          ?        56.87019 17.90578 ?        ?        ?         ?        
1 1 1 10 53 6  o 233.7515 7.038178 549.7185   32.90369 549.7185   32.90369 ?          ?        233.7515 7.038178 ?        ?        ?         ?        
1 1 1 10 53 7  o 206.9763 7.263433 431.7191   30.06716 431.7191   30.06716 ?          ?        206.9763 7.263433 ?        ?        ?         ?        
1 1 1 10 53 8  o 168.4614 7.577025 286.4890   25.52872 286.4890   25.52872 ?          ?        168.4614 7.577025 ?        ?        ?         ?        
1 1 1 10 53 9  o 96.97836 9.652186 95.87454   18.72106 95.87454   18.72106 ?          ?        96.97836 9.652186 ?        ?        ?         ?        
1 1 1 10 53 10 o 163.6404 7.453572 271.7391   24.39412 271.7391   24.39412 ?          ?        163.6404 7.453572 ?        ?        ?         ?        
1 1 1 10 53 11 o 169.5311 6.692635 291.0274   22.69220 291.0274   22.69220 ?          ?        169.5311 6.692635 ?        ?        ?         ?        
1 1 1 10 53 12 o 76.84219 11.81236 61.83624   18.15376 61.83624   18.15376 ?          ?        76.84219 11.81236 ?        ?        ?         ?        
1 1 1 10 54 0  f 300.3813 10.89080 910.5245   65.24007 910.5245   65.24007 910.5245   65.24007 300.3813 10.89080 300.3813 10.89080 -0.000000 0.000000 
1 1 1 10 54 1  o 192.2185 7.968657 371.5847   30.63447 371.5847   30.63447 ?          ?        192.2185 7.968657 ?        ?        ?         ?        
1 1 1 10 54 2  o 177.7339 7.979694 317.6908   28.36525 317.6908   28.36525 ?          ?        177.7339 7.979694 ?        ?        ?         ?        
1 1 1 10 54 3  o 297.7608 9.240399 893.5052   55.02858 893.5052   55.02858 ?          ?        297.7608 9.240399 ?        ?        ?         ?        
1 1 1 10 54 4  o 310.4320 8.040866 971.2261   49.92284 971.2261   49.92284 ?          ?        310.4320 8.040866 ?        ?        ?         ?        
1 1 1 10 54 5  o 256.8871 7.398080 664.3141   38.00943 664.3141   38.00943 ?          ?        256.8871 7.398080 ?        ?        ?         ?        
1 1 1 10 54 6  f 64.44483 16.94145 44.81709   22.12490 44.81709   22.12490 ?          ?        64.44483 16.94145 ?        ?        ?         ?        
1 1 1 10 54 7  o 91.27307 11.49862 85.09574   20.99029 85.09574   20.99029 ?          ?        91.27307 11.49862 ?        ?        ?         ?        
1 1 1 10 54 8  f 185.2788 7.501651 346.6233   27.79794 346.6233   27.79794 ?          ?        185.2788 7.501651 ?        ?        ?         ?        
1 1 1 10 54 9  o 125.9536 8.332549 161.1146   20.99029 161.1146   20.99029 ?          ?        125.9536 8.332549 ?        ?        ?         ?        
1 1 1 10 54 10 o 96.76526 9.673443 95.87454   18.72106 95.87454   18.72106 ?          ?        96.76526 9.673443 ?        ?        ?         ?        
1 1 1 10 54 11 o 127.0446 8.484259 165.0858   21.55759 165.0858   21.55759 ?          ?        127.0446 8.484259 ?        ?        ?         ?        
1 1 1 10 54 12 o 165.1905 7.727057 278.5467   25.52872 278.5467   25.52872 ?          ?        165.1905 7.727057 ?        ?        ?         ?        
1 1 1 10 55 0  o 54.40663 26.04359 44.81709   32.33638 44.81709   32.33638 44.81709   32.33638 54.40663 26.04359 54.40663 26.04359 -0.000000 0.000000 
1 1 1 10 55 1  f 363.8391 8.965509 1333.734   65.24007 1333.734   65.24007 ?          ?        363.8391 8.965509 ?        ?        ?         ?        
1 1 1 10 55 2  o 203.8830 7.373630 418.1037   30.06716 418.1037   30.06716 ?          ?        203.8830 7.373630 ?        ?        ?         ?        
1 1 1 10 55 3  o 191.1794 8.457080 368.7482   32.33638 368.7482   32.33638 ?          ?        191.1794 8.457080 ?        ?        ?         ?        
1 1 1 10 55 4  o 159.0972 8.379572 255.2872   26.66333 255.2872   26.66333 ?          ?        159.0972 8.379572 ?        ?        ?         ?        
1 1 1 10 55 5  o 87.23664 12.35581 77.72078   21.55759 77.72078   21.55759 ?          ?        87.23664 12.35581 ?        ?        ?         ?        
1 1 1 10 55 6  o 312.9890 8.065802 989.3799   50.49014 989.3799   50.49014 ?          ?        312.9890 8.065802 ?        ?        ?         ?        
1 1 1 10 55 7  o 34.93589 15.56903 -7.374964  22.12490 -7.374964  22.12490 ?          ?        34.93589 15.56903 ?        ?        ?         ?        
1 1 1 10 55 8  o 80.03178 13.11372 66.37468   20.99029 66.37468   20.99029 ?          ?        80.03178 13.11372 ?        ?        ?         ?        
1 1 1 10 55 9  o 110.5802 9.747486 125.3744   21.55759 125.3744   21.55759 ?          ?        110.5802 9.747486 ?        ?        ?         ?        
1 1 1 10 55 10 f 81.09368 12.59221 68.64390   20.42298 68.64390   20.42298 ?          ?        81.09368 12.59221 ?        ?        ?         ?        
1 1 1 10 55 11 o 47.48696 16.74759 22.69220   19.85567 22.69220   19.85567 ?          ?        47.48696 16.74759 ?        ?        ?         ?        
1 1 1 10 56 0  o 67.21164 27.01303 64.67276   35.17290 64.67276   35.17290 64.67276   35.17290 67.21164 27.01303 67.21164 27.01303 -0.000000 0.000000 
1 1 1 10 56 1  o 148.8226 8.576900 223.5181   25.52872 223.5181   25.52872 ?          ?        148.8226 8.576900 ?        ?        ?         ?        
1 1 1 10 56 2  o 209.2331 7.456225 440.7959   31.20177 440.7959   31.20177 ?          ?        209.2331 7.456225 ?        ?        ?         ?        
1 1 1 10 56 3  o 119.3492 9.744308 144.0954   23.25950 144.0954   23.25950 ?          ?        119.3492 9.744308 ?        ?        ?         ?        
1 1 1 10 56 4  o 177.9924 7.649384 319.3927   27.23064 319.3927   27.23064 ?          ?        177.9924 7.649384 ?        ?        ?         ?        
1 1 1 10 56 5  f 129.5001 8.761461 169.6242   22.69220 169.6242   22.69220 ?          ?        129.5001 8.761461 ?        ?        ?         ?        
1 1 1 10 56 6  f 218.0508 7.544960 479.9400   32.90369 479.9400   32.90369 ?          ?        218.0508 7.544960 ?        ?        ?         ?        
1 1 1 10 56 7  f 121.5617 9.800290 150.3358   23.82681 150.3358   23.82681 ?          ?        121.5617 9.800290 ?        ?        ?         ?        
1 1 1 10 56 8  o 102.1969 9.714418 106.6533   19.85567 106.6533   19.85567 ?          ?        102.1969 9.714418 ?        ?        ?         ?        
1 1 1 10 56 9  o 186.1530 7.314047 351.1618   27.23064 351.1618   27.23064 ?          ?        186.1530 7.314047 ?        ?        ?         ?        
1 1 1 10 56 10 o 280.8424 8.484051 806.1404   47.65361 806.1404   47.65361 ?          ?        280.8424 8.484051 ?        ?        ?         ?        
1 1 1 10 56 11 f 76.65611 12.21107 61.83624   18.72106 61.83624   18.72106 ?          ?        76.65611 12.21107 ?        ?        ?         ?        
1 1 1 10 57 0  o 368.3149 13.05112 1375.714   95.87454 1375.714   95.87454 1375.714   95.87454 368.3149 13.05112 368.3149 13.05112 -0.000000 0.000000 
1 1 1 10 57 1  o 38.25275 16.44422 -0.5673050 22.69220 -0.5673050 22.69220 ?          ?        38.25275 16.44422 ?        ?        ?         ?        
1 1 1 10 57 2  o 132.7740 8.972692 178.1338   23.82681 178.1338   23.82681 ?          ?        132.7740 8.972692 ?        ?        ?         ?        
1 1 1 10 57 3  f 127.7608 8.880734 165.0858   22.69220 165.0858   22.69220 ?          ?        127.7608 8.880734 ?        ?        ?         ?        
1 1 1 10 57 4  o 33.43548 15.19037 -11.91340  22.12490 -11.91340  22.12490 ?          ?        33.43548 15.19037 ?        ?        ?         ?        
1 1 1 10 57 5  o 45.20282 16.85576 17.01915   20.42298 17.01915   20.42298 ?          ?        45.20282 16.85576 ?        ?        ?         ?        
1 1 1 10 57 6  o 99.38944 11.41580 100.9803   22.69220 100.9803   22.69220 ?          ?        99.38944 11.41580 ?        ?        ?         ?        
1 1 1 10 57 7  o 48.01252 17.60322 20.99029   22.12490 20.99029   22.12490 ?          ?        48.01252 17.60322 ?        ?        ?         ?        
1 1 1 10 57 8  o 289.1083 8.535819 852.0920   49.35553 852.0920   49.35553 ?          ?        289.1083 8.535819 ?        ?        ?         ?        
1 1 1 10 57 9  o 205.1836 7.603378 427.7480   31.20177 427.7480   31.20177 ?          ?        205.1836 7.603378 ?        ?        ?         ?        
1 1 1 10 57 10 o 317.0414 8.946858 1030.793   56.73050 1030.793   56.73050 ?          ?        317.0414 8.946858 ?        ?        ?         ?        
1 1 1 10 58 0  o 92.68047 19.88259 98.71106   32.33638 98.71106   32.33638 98.71106   32.33638 92.68047 19.88259 92.68047 19.88259 -0.000000 0.000000 
1 1 1 10 58 1  o 63.63958 17.35440 43.68248   22.69220 43.68248   22.69220 ?          ?        63.63958 17.35440 ?        ?        ?         ?        
1 1 1 10 58 2  o 104.9464 11.62218 112.3264   24.39412 112.3264   24.39412 ?          ?        104.9464 11.62218 ?        ?        ?         ?        
1 1 1 10 58 3  o 106.6061 10.90909 115.7302   23.25950 115.7302   23.25950 ?          ?        106.6061 10.90909 ?        ?        ?         ?        
1 1 1 10 58 4  f 229.0906 7.181372 529.2956   32.90369 529.2956   32.90369 ?          ?        229.0906 7.181372 ?        ?        ?         ?        
1 1 1 10 58 5  o 71.59425 16.56056 55.59589   23.25950 55.59589   23.25950 ?          ?        71.59425 16.56056 ?        ?        ?         ?        
1 1 1 10 58 6  o 72.58096 15.68634 57.29780   22.12490 57.29780   22.12490 ?          ?        72.58096 15.68634 ?        ?        ?         ?        
1 1 1 10 58 7  o 179.3337 7.275830 325.6331   26.09603 325.6331   26.09603 ?          ?        179.3337 7.275830 ?        ?        ?         ?        
1 1 1 10 58 8  o 135.5521 8.579545 187.2106   23.25950 187.2106   23.25950 ?          ?        135.5521 8.579545 ?        ?        ?         ?        
1 1 1 10 58 9  o 166.8762 7.818977 283.6525   26.09603 283.6525   26.09603 ?          ?        166.8762 7.818977 ?        ?        ?         ?        
1 1 1 10 58 10 o 122.8062 9.470003 155.4416   23.25950 155.4416   23.25950 ?          ?        122.8062 9.470003 ?        ?        ?         ?        
1 1 1 10 59 0  o 84.28894 22.63378 86.79766   32.90369 86.79766   32.90369 86.79766   32.90369 84.28894 22.63378 84.28894 22.63378 -0.000000 0.000000 
1 1 1 10 59 1  o 70.36266 15.71916 53.32666   21.55759 53.32666   21.55759 ?          ?        70.36266 15.71916 ?        ?        ?         ?        
1 1 1 10 59 2  o 169.2411 7.877323 289.3255   26.66333 289.3255   26.66333 ?          ?        169.2411 7.877323 ?        ?        ?         ?        
1 1 1 10 59 3  o 147.2585 8.667997 219.5470   25.52872 219.5470   25.52872 ?          ?        147.2585 8.667997 ?        ?        ?         ?        
1 1 1 10 59 4  o 126.3876 9.650521 162.2492   24.39412 162.2492   24.39412 ?          ?        126.3876 9.650521 ?        ?        ?         ?        
1 1 1 10 59 5  o 85.85569 17.45638 80.55730   28.93255 80.55730   28.93255 ?          ?        85.85569 17.45638 ?        ?        ?         ?        
1 1 1 10 59 6  o 76.42639 14.62510 62.97085   21.55759 62.97085   21.55759 ?          ?        76.42639 14.62510 ?        ?        ?         ?        
1 1 1 10 59 7  o 193.1993 7.781387 378.9597   30.06716 378.9597   30.06716 ?          ?        193.1993 7.781387 ?        ?        ?         ?        
1 1 1 10 59 8  o 119.5089 10.20598 146.9320   24.39412 146.9320   24.39412 ?          ?        119.5089 10.20598 ?        ?        ?         ?        
1 1 1 10 59 9  o 104.9411 10.54157 114.0283   22.12490 114.0283   22.12490 ?          ?        104.9411 10.54157 ?        ?        ?         ?        
1 1 1 10 59 10 o 152.1566 8.388963 237.1335   25.52872 237.1335   25.52872 ?          ?        152.1566 8.388963 ?        ?        ?         ?        
1 1 1 10 60 0  o 83.41875 23.21671 86.23035   33.47099 86.23035   33.47099 86.23035   33.47099 83.41875 23.21671 83.41875 23.21671 -0.000000 0.000000 
1 1 1 10 60 1  o 156.2306 8.170204 246.7777   25.52872 246.7777   25.52872 ?          ?        156.2306 8.170204 ?        ?        ?         ?        
1 1 1 10 60 2  o 173.5777 8.170766 304.6428   28.36525 304.6428   28.36525 ?          ?        173.5777 8.170766 ?        ?        ?         ?        
1 1 1 10 60 3  o 115.0348 9.616612 134.4513   22.12490 134.4513   22.12490 ?          ?        115.0348 9.616612 ?        ?        ?         ?        
1 1 1 10 60 4  o 171.3283 7.946919 297.2678   27.23064 297.2678   27.23064 ?          ?        171.3283 7.946919 ?        ?        ?         ?        
1 1 1 10 60 5  o 127.3100 11.36303 166.7877   28.93255 166.7877   28.93255 ?          ?        127.3100 11.36303 ?        ?        ?         ?        
1 1 1 10 60 6  o 147.8521 8.057652 222.3835   23.82681 222.3835   23.82681 ?          ?        147.8521 8.057652 ?        ?        ?         ?        
1 1 1 10 60 7  o 38.25242 16.22066 3.403830   21.55759 3.403830   21.55759 ?          ?        38.25242 16.22066 ?        ?        ?         ?        
1 1 1 10 60 8  o 59.45946 17.46654 39.71135   22.12490 39.71135   22.12490 ?          ?        59.45946 17.46654 ?        ?        ?         ?        
1 1 1 10 60 9  o 43.46281 17.34791 13.61532   22.69220 13.61532   22.69220 ?          ?        43.46281 17.34791 ?        ?        ?         ?        
1 1 1 10 61 0  o 81.08967 27.13799 87.93227   39.14404 87.93227   39.14404 87.93227   39.14404 81.08967 27.13799 81.08967 27.13799 -0.000000 0.000000 
1 1 1 10 61 1  o 218.1031 7.543150 480.5073   32.90369 480.5073   32.90369 ?          ?        218.1031 7.543150 ?        ?        ?         ?        
1 1 1 10 61 2  o 144.5392 8.242336 211.6048   23.82681 211.6048   23.82681 ?          ?        144.5392 8.242336 ?        ?        ?         ?        
1 1 1 10 61 3  o 129.3804 8.769567 170.1915   22.69220 170.1915   22.69220 ?          ?        129.3804 8.769567 ?        ?        ?         ?        
1 1 1 10 61 4  o 93.80697 13.00229 91.33610   24.39412 91.33610   24.39412 ?          ?        93.80697 13.00229 ?        ?        ?         ?        
1 1 1 10 61 5  o 233.5470 7.530157 553.6896   35.17290 553.6896   35.17290 ?          ?        233.5470 7.530157 ?        ?        ?         ?        
1 1 1 10 61 6  o 127.7858 9.766901 167.3549   24.96142 167.3549   24.96142 ?          ?        127.7858 9.766901 ?        ?        ?         ?        
1 1 1 10 61 7  o 149.8080 9.088512 229.7585   27.23064 229.7585   27.23064 ?          ?        149.8080 9.088512 ?        ?        ?         ?        
1 1 1 10 61 8  o 158.5764 7.870472 256.4218   24.96142 256.4218   24.96142 ?          ?        158.5764 7.870472 ?        ?        ?         ?        
1 1 1 10 61 9  o 150.9313 8.269132 233.1623   24.96142 233.1623   24.96142 ?          ?        150.9313 8.269132 ?        ?        ?         ?        
1 1 1 10 62 0  o 67.20609 26.75271 65.80738   34.60560 65.80738   34.60560 65.80738   34.60560 67.20609 26.75271 67.20609 26.75271 -0.000000 0.000000 
1 1 1 10 62 1  o 239.1912 7.708231 579.7856   36.87482 579.7856   36.87482 ?          ?        239.1912 7.708231 ?        ?        ?         ?        
1 1 1 10 62 2  o 149.1635 8.747458 226.3547   26.09603 226.3547   26.09603 ?          ?        149.1635 8.747458 ?        ?        ?         ?        
1 1 1 10 62 3  o 43.47074 16.86483 14.18262   20.99029 14.18262   20.99029 ?          ?        43.47074 16.86483 ?        ?        ?         ?        
1 1 1 10 62 4  o 39.47139 16.32718 6.807660   20.99029 6.807660   20.99029 ?          ?        39.47139 16.32718 ?        ?        ?         ?        
1 1 1 10 62 5  o 117.0491 9.451113 140.1243   22.12490 140.1243   22.12490 ?          ?        117.0491 9.451113 ?        ?        ?         ?        
1 1 1 10 62 6  o 150.5243 8.291493 230.8931   24.96142 230.8931   24.96142 ?          ?        150.5243 8.291493 ?        ?        ?         ?        
1 1 1 10 62 7  o 77.01200 14.89621 65.24007   22.12490 65.24007   22.12490 ?          ?        77.01200 14.89621 ?        ?        ?         ?        
1 1 1 10 62 8  o 213.2938 7.314270 463.4882   31.20177 463.4882   31.20177 ?          ?        213.2938 7.314270 ?        ?        ?         ?        
1 1 1 10 63 0  o 207.4238 10.17163 438.5268   41.98057 438.5268   41.98057 438.5268   41.98057 207.4238 10.17163 207.4238 10.17163 -0.000000 0.000000 
1 1 1 10 63 1  o 224.1482 7.592812 509.4399   34.03830 509.4399   34.03830 ?          ?        224.1482 7.592812 ?        ?        ?         ?        
1 1 1 10 63 2  o 101.8225 13.09305 108.3553   26.66333 108.3553   26.66333 ?          ?        101.8225 13.09305 ?        ?        ?         ?        
1 1 1 10 63 3  o 103.1681 11.54757 110.0572   23.82681 110.0572   23.82681 ?          ?        103.1681 11.54757 ?        ?        ?         ?        
1 1 1 10 63 4  f 149.7249 8.146310 228.0566   24.39412 228.0566   24.39412 ?          ?        149.7249 8.146310 ?        ?        ?         ?        
1 1 1 10 63 5  o 137.2527 9.299895 192.8837   25.52872 192.8837   25.52872 ?          ?        137.2527 9.299895 ?        ?        ?         ?        
1 1 1 10 63 6  f 96.07050 12.69595 97.00916   24.39412 97.00916   24.39412 ?          ?        96.07050 12.69595 ?        ?        ?         ?        
1 1 1 10 63 7  o 84.61578 12.73851 75.45156   21.55759 75.45156   21.55759 ?          ?        84.61578 12.73851 ?        ?        ?         ?        
1 1 1 10 64 0  o 318.0797 12.16674 1034.764   77.15348 1034.764   77.15348 1034.764   77.15348 318.0797 12.16674 318.0797 12.16674 -0.000000 0.000000 
1 1 1 10 64 1  o 178.5394 8.102571 323.9312   28.93255 323.9312   28.93255 ?          ?        178.5394 8.102571 ?        ?        ?         ?        
1 1 1 10 64 2  f 95.00861 14.03206 94.73994   26.66333 94.73994   26.66333 ?          ?        95.00861 14.03206 ?        ?        ?         ?        
1 1 1 10 64 3  o 149.4488 8.730757 228.0566   26.09603 228.0566   26.09603 ?          ?        149.4488 8.730757 ?        ?        ?         ?        
1 1 1 10 64 4  o 145.7189 9.148890 217.2778   26.66333 217.2778   26.66333 ?          ?        145.7189 9.148890 ?        ?        ?         ?        
1 1 1 10 64 5  o 131.0090 9.959630 176.9992   26.09603 176.9992   26.09603 ?          ?        131.0090 9.959630 ?        ?        ?         ?        
1 1 1 10 64 6  o 50.54141 17.89591 26.09603   22.69220 26.09603   22.69220 ?          ?        50.54141 17.89591 ?        ?        ?         ?        
1 1 1 10 64 7  o 158.0122 8.437110 255.8545   26.66333 255.8545   26.66333 ?          ?        158.0122 8.437110 ?        ?        ?         ?        
1 1 1 10 65 0  o 280.2134 11.07130 802.1692   61.83624 802.1692   61.83624 802.1692   61.83624 280.2134 11.07130 280.2134 11.07130 -0.000000 0.000000 
1 1 1 10 65 1  o 128.1068 10.40668 169.0569   26.66333 169.0569   26.66333 ?          ?        128.1068 10.40668 ?        ?        ?         ?        
1 1 1 10 65 2  o 175.5788 8.400746 314.2870   29.49986 314.2870   29.49986 ?          ?        175.5788 8.400746 ?        ?        ?         ?        
1 1 1 10 65 3  o 55.04240 18.62021 32.33638   24.39412 32.33638   24.39412 ?          ?        55.04240 18.62021 ?        ?        ?         ?        
1 1 1 10 65 4  o 59.77595 17.99221 40.27865   23.25950 40.27865   23.25950 ?          ?        59.77595 17.99221 ?        ?        ?         ?        
1 1 1 10 65 5  o 29.03464 13.92961 -29.49986  23.25950 -29.49986  23.25950 ?          ?        29.03464 13.92961 ?        ?        ?         ?        
1 1 1 10 65 6  o 96.63741 12.03442 98.14376   23.25950 98.14376   23.25950 ?          ?        96.63741 12.03442 ?        ?        ?         ?        
1 1 1 10 66 0  o 328.9858 12.45459 1111.918   81.69191 1111.918   81.69191 1111.918   81.69191 328.9858 12.45459 328.9858 12.45459 -0.000000 0.000000 
1 1 1 10 66 1  o 66.21712 18.26551 49.92284   24.96142 49.92284   24.96142 ?          ?        66.21712 18.26551 ?        ?        ?         ?        
1 1 1 10 66 2  o 36.85157 16.77159 -11.91340  27.23064 -11.91340  27.23064 ?          ?        36.85157 16.77159 ?        ?        ?         ?        
1 1 1 10 66 3  o 94.49790 13.80773 94.73994   26.09603 94.73994   26.09603 ?          ?        94.49790 13.80773 ?        ?        ?         ?        
1 1 1 10 66 4  o 197.3581 8.048589 397.6808   31.76908 397.6808   31.76908 ?          ?        197.3581 8.048589 ?        ?        ?         ?        
1 1 1 10 66 5  o 92.04268 13.55970 90.20149   24.96142 90.20149   24.96142 ?          ?        92.04268 13.55970 ?        ?        ?         ?        
1 1 1 10 67 0  o 74.99887 26.33570 78.85539   35.74022 78.85539   35.74022 78.85539   35.74022 74.99887 26.33570 74.99887 26.33570 -0.000000 0.000000 
1 1 1 10 67 1  o 71.31814 17.58743 57.86510   24.96142 57.86510   24.96142 ?          ?        71.31814 17.58743 ?        ?        ?         ?        
1 1 1 10 67 2  f 89.24109 14.62108 85.09574   26.09603 85.09574   26.09603 ?          ?        89.24109 14.62108 ?        ?        ?         ?        
1 1 1 10 67 3  o 109.2162 10.38866 123.6725   22.69220 123.6725   22.69220 ?          ?        109.2162 10.38866 ?        ?        ?         ?        
1 1 1 10 67 4  o 121.9245 10.93436 154.8743   26.66333 154.8743   26.66333 ?          ?        121.9245 10.93436 ?        ?        ?         ?        
1 1 1 10 68 0  o 46.13466 25.67450 34.60560   34.60560 34.60560   34.60560 34.60560   34.60560 46.13466 25.67450 46.13466 25.67450 -0.000000 0.000000 
1 1 1 10 68 1  o 198.1908 8.014772 401.6519   31.76908 401.6519   31.76908 ?          ?        198.1908 8.014772 ?        ?        ?         ?        
1 1 1 10 68 2  o 128.8200 10.56926 172.4607   27.23064 172.4607   27.23064 ?          ?        128.8200 10.56926 ?        ?        ?         ?        
1 1 1 10 68 3  f 132.1247 9.875529 180.4030   26.09603 180.4030   26.09603 ?          ?        132.1247 9.875529 ?        ?        ?         ?        
1 1 1 11 0  1  o 316.2314 9.075978 1003.562   57.29780 1003.562   57.29780 1003.562   57.29780 316.2314 9.075978 316.2314 9.075978 -0.000000 0.000000 
1 1 1 11 0  2  o 102.3144 6.712724 106.0860   13.61532 106.0860   13.61532 106.0860   13.61532 102.3144 6.712724 102.3144 6.712724 -0.000000 0.000000 
1 1 1 11 0  3  o 260.9489 6.203710 682.4679   32.33638 682.4679   32.33638 682.4679   32.33638 260.9489 6.203710 260.9489 6.203710 -0.000000 0.000000 
1 1 1 11 0  4  o 304.6496 7.084706 930.3802   43.11518 930.3802   43.11518 930.3802   43.11518 304.6496 7.084706 304.6496 7.084706 -0.000000 0.000000 
1 1 1 11 0  5  o 497.9468 10.72037 2487.632   106.6533 2487.632   106.6533 2487.632   106.6533 497.9468 10.72037 497.9468 10.72037 -0.000000 0.000000 
1 1 1 11 0  6  o 24.42679 14.25363 7.374964   11.34610 7.374964   11.34610 7.374964   11.34610 24.42679 14.25363 24.42679 14.25363 -0.000000 0.000000 
1 1 1 11 0  7  o 349.8932 11.21273 1230.484   78.28809 1230.484   78.28809 1230.484   78.28809 349.8932 11.21273 349.8932 11.21273 -0.000000 0.000000 
1 1 1 11 0  8  o 105.6318 6.495476 112.8937   13.61532 112.8937   13.61532 112.8937   13.61532 105.6318 6.495476 105.6318 6.495476 -0.000000 0.000000 
1 1 1 11 0  9  o 25.65481 15.48394 6.807660   14.18262 6.807660   14.18262 6.807660   14.18262 25.65481 15.48394 25.65481 15.48394 -0.000000 0.000000 
1 1 1 11 0  10 f 226.7596 7.649542 516.2476   34.60560 516.2476   34.60560 516.2476   34.60560 226.7596 7.649542 226.7596 7.649542 -0.000000 0.000000 
1 1 1 11 0  11 o 372.6165 17.05238 1402.378   126.5090 1402.378   126.5090 1402.378   126.5090 372.6165 17.05238 372.6165 17.05238 -0.000000 0.000000 
1 1 1 11 0  12 o 223.5309 9.683292 503.1995   43.11518 503.1995   43.11518 503.1995   43.11518 223.5309 9.683292 223.5309 9.683292 -0.000000 0.000000 
1 1 1 11 0  13 o 524.9921 19.18245 2785.468   200.8260 2785.468   200.8260 2785.468   200.8260 524.9921 19.18245 524.9921 19.18245 -0.000000 0.000000 
1 1 1 11 0  14 o 119.8717 9.830205 146.9320   23.25950 146.9320   23.25950 146.9320   23.25950 119.8717 9.830205 119.8717 9.830205 -0.000000 0.000000 
1 1 1 11 0  15 o 499.5948 18.56503 2538.690   184.9414 2538.690   184.9414 2538.690   184.9414 499.5948 18.56503 499.5948 18.56503 -0.000000 0.000000 
1 1 1 11 0  16 o 103.1510 10.07585 110.0572   20.42298 110.0572   20.42298 110.0572   20.42298 103.1510 10.07585 103.1510 10.07585 -0.000000 0.000000 
1 1 1 11 0  17 o 154.1402 9.082723 241.6719   27.79794 241.6719   27.79794 241.6719   27.79794 154.1402 9.082723 154.1402 9.082723 -0.000000 0.000000 
1 1 1 11 0  18 o 310.1557 11.55830 982.0049   71.48043 982.0049   71.48043 982.0049   71.48043 310.1557 11.55830 310.1557 11.55830 -0.000000 0.000000 
1 1 1 11 0  19 o 26.22794 17.08216 1.134610   20.99029 1.134610   20.99029 1.134610   20.99029 26.22794 17.08216 26.22794 17.08216 -0.000000 0.000000 
1 1 1 11 1  0  o 234.5118 7.394389 551.9877   34.60560 551.9877   34.60560 551.9877   34.60560 234.5118 7.394389 234.5118 7.394389 -0.000000 0.000000 
1 1 1 11 1  1  o 358.1389 8.316190 1284.946   59.56702 1284.946   59.56702 ?          ?        358.1389 8.316190 ?        ?        ?         ?        
1 1 1 11 1  2  o 353.5184 6.098011 1250.907   43.11518 1250.907   43.11518 ?          ?        353.5184 6.098011 ?        ?        ?         ?        
1 1 1 11 1  3  o 467.4302 7.767475 2188.662   72.61504 2188.662   72.61504 ?          ?        467.4302 7.767475 ?        ?        ?         ?        
1 1 1 11 1  4  o 89.71610 5.058668 80.55730   9.076880 80.55730   9.076880 ?          ?        89.71610 5.058668 ?        ?        ?         ?        
1 1 1 11 1  5  o 344.9838 7.728866 1192.475   53.32666 1192.475   53.32666 ?          ?        344.9838 7.728866 ?        ?        ?         ?        
1 1 1 11 1  6  o 341.0181 5.406579 1164.110   36.87482 1164.110   36.87482 ?          ?        341.0181 5.406579 ?        ?        ?         ?        
1 1 1 11 1  7  o 148.1364 3.829611 219.5470   11.34610 219.5470   11.34610 ?          ?        148.1364 3.829611 ?        ?        ?         ?        
1 1 1 11 1  8  o 258.6945 7.127098 669.9872   36.87482 669.9872   36.87482 ?          ?        258.6945 7.127098 ?        ?        ?         ?        
1 1 1 11 1  9  f 224.1282 5.821674 502.6322   26.09603 502.6322   26.09603 ?          ?        224.1282 5.821674 ?        ?        ?         ?        
1 1 1 11 1  10 o 125.3316 4.526432 157.1435   11.34610 157.1435   11.34610 ?          ?        125.3316 4.526432 ?        ?        ?         ?        
1 1 1 11 1  11 o 600.1151 18.62294 3634.156   223.5181 3634.156   223.5181 ?          ?        600.1151 18.62294 ?        ?        ?         ?        
1 1 1 11 1  12 o 463.6512 11.07322 2158.028   102.6822 2158.028   102.6822 ?          ?        463.6512 11.07322 ?        ?        ?         ?        
1 1 1 11 1  13 o 323.4761 8.242752 1048.947   53.32666 1048.947   53.32666 ?          ?        323.4761 8.242752 ?        ?        ?         ?        
1 1 1 11 1  14 o 402.6747 9.861893 1629.867   79.42269 1629.867   79.42269 ?          ?        402.6747 9.861893 ?        ?        ?         ?        
1 1 1 11 1  15 o 279.0819 8.232656 782.8809   45.95170 782.8809   45.95170 ?          ?        279.0819 8.232656 ?        ?        ?         ?        
1 1 1 11 1  16 o 121.5755 6.766101 148.6339   16.45185 148.6339   16.45185 ?          ?        121.5755 6.766101 ?        ?        ?         ?        
1 1 1 11 1  17 o 146.2948 6.592295 215.5759   19.28837 215.5759   19.28837 ?          ?        146.2948 6.592295 ?        ?        ?         ?        
1 1 1 11 1  18 f 153.2771 6.847171 237.7008   20.99029 237.7008   20.99029 ?          ?        153.2771 6.847171 ?        ?        ?         ?        
1 1 1 11 1  19 o 27.08936 12.33267 -7.942269  14.74993 -7.942269  14.74993 ?          ?        27.08936 12.33267 ?        ?        ?         ?        
1 1 1 11 2  0  o 289.8916 8.037175 843.0153   46.51900 843.0153   46.51900 843.0153   46.51900 289.8916 8.037175 289.8916 8.037175 -0.000000 0.000000 
1 1 1 11 2  1  o 463.4661 7.589100 2151.220   70.34581 2151.220   70.34581 ?          ?        463.4661 7.589100 ?        ?        ?         ?        
1 1 1 11 2  2  o 241.5444 4.697315 583.7568   22.69220 583.7568   22.69220 ?          ?        241.5444 4.697315 ?        ?        ?         ?        
1 1 1 11 2  3  o 414.1729 6.985622 1717.799   57.86510 1717.799   57.86510 ?          ?        414.1729 6.985622 ?        ?        ?         ?        
1 1 1 11 2  4  f 366.4514 6.115012 1344.513   44.81709 1344.513   44.81709 ?          ?        366.4514 6.115012 ?        ?        ?         ?        
1 1 1 11 2  5  o 344.3011 5.931721 1186.802   40.84595 1186.802   40.84595 ?          ?        344.3011 5.931721 ?        ?        ?         ?        
1 1 1 11 2  6  o 34.43764 11.35821 11.34610   9.076880 11.34610   9.076880 ?          ?        34.43764 11.35821 ?        ?        ?         ?        
1 1 1 11 2  7  f 297.2781 4.961660 884.4283   29.49986 884.4283   29.49986 ?          ?        297.2781 4.961660 ?        ?        ?         ?        
1 1 1 11 2  8  o 479.3078 12.25018 2304.960   117.4321 2304.960   117.4321 ?          ?        479.3078 12.25018 ?        ?        ?         ?        
1 1 1 11 2  9  o 311.0292 7.660634 968.3895   47.65361 968.3895   47.65361 ?          ?        311.0292 7.660634 ?        ?        ?         ?        
1 1 1 11 2  10 f 213.5057 5.447046 456.1132   23.25950 456.1132   23.25950 ?          ?        213.5057 5.447046 ?        ?        ?         ?        
1 1 1 11 2  11 o 226.5642 7.011055 513.9783   31.76908 513.9783   31.76908 ?          ?        226.5642 7.011055 ?        ?        ?         ?        
1 1 1 11 2  12 o 283.2531 7.811000 803.8712   44.24979 803.8712   44.24979 ?          ?        283.2531 7.811000 ?        ?        ?         ?        
1 1 1 11 2  13 o 512.8274 12.22384 2644.208   125.3744 2644.208   125.3744 ?          ?        512.8274 12.22384 ?        ?        ?         ?        
1 1 1 11 2  14 o 101.7477 7.248290 103.8168   14.74993 103.8168   14.74993 ?          ?        101.7477 7.248290 ?        ?        ?         ?        
1 1 1 11 2  15 o 239.7499 6.980396 576.9491   33.47099 576.9491   33.47099 ?          ?        239.7499 6.980396 ?        ?        ?         ?        
1 1 1 11 2  16 o 106.6341 7.980161 114.5956   17.01915 114.5956   17.01915 ?          ?        106.6341 7.980161 ?        ?        ?         ?        
1 1 1 11 2  17 o 137.2921 7.024576 190.0471   19.28837 190.0471   19.28837 ?          ?        137.2921 7.024576 ?        ?        ?         ?        
1 1 1 11 2  18 o 286.7089 7.617916 833.9382   43.68248 833.9382   43.68248 ?          ?        286.7089 7.617916 ?        ?        ?         ?        
1 1 1 11 2  19 o 80.64791 9.496361 66.94199   15.31723 66.94199   15.31723 ?          ?        80.64791 9.496361 ?        ?        ?         ?        
1 1 1 11 3  0  o 70.97149 7.755779 52.19205   10.77879 52.19205   10.77879 52.19205   10.77879 70.97149 7.755779 70.97149 7.755779 -0.000000 0.000000 
1 1 1 11 3  1  o 476.4544 7.918025 2273.758   75.45156 2273.758   75.45156 ?          ?        476.4544 7.918025 ?        ?        ?         ?        
1 1 1 11 3  2  o 132.3725 4.071386 175.2972   10.77879 175.2972   10.77879 ?          ?        132.3725 4.071386 ?        ?        ?         ?        
1 1 1 11 3  3  o 205.3823 4.557615 422.0749   18.72106 422.0749   18.72106 ?          ?        205.3823 4.557615 ?        ?        ?         ?        
1 1 1 11 3  4  o 141.2710 4.216507 199.6914   11.91340 199.6914   11.91340 ?          ?        141.2710 4.216507 ?        ?        ?         ?        
1 1 1 11 3  5  o 176.7503 4.172533 312.5851   14.74993 312.5851   14.74993 ?          ?        176.7503 4.172533 ?        ?        ?         ?        
1 1 1 11 3  6  o 151.5147 4.867490 229.7585   14.74993 229.7585   14.74993 ?          ?        151.5147 4.867490 ?        ?        ?         ?        
1 1 1 11 3  7  o 144.8494 3.720691 209.9028   10.77879 209.9028   10.77879 ?          ?        144.8494 3.720691 ?        ?        ?         ?        
1 1 1 11 3  8  o 240.9498 5.297519 580.9203   25.52872 580.9203   25.52872 ?          ?        240.9498 5.297519 ?        ?        ?         ?        
1 1 1 11 3  9  o 265.8852 6.187576 707.4293   32.90369 707.4293   32.90369 ?          ?        265.8852 6.187576 ?        ?        ?         ?        
1 1 1 11 3  10 o 169.7169 5.181114 288.1909   17.58645 288.1909   17.58645 ?          ?        169.7169 5.181114 ?        ?        ?         ?        
1 1 1 11 3  11 o 616.9637 15.58571 3831.010   192.3164 3831.010   192.3164 ?          ?        616.9637 15.58571 ?        ?        ?         ?        
1 1 1 11 3  12 o 512.9397 13.05065 2645.343   133.8840 2645.343   133.8840 ?          ?        512.9397 13.05065 ?        ?        ?         ?        
1 1 1 11 3  13 o 453.7544 10.87715 2067.827   98.71106 2067.827   98.71106 ?          ?        453.7544 10.87715 ?        ?        ?         ?        
1 1 1 11 3  14 o 153.1080 5.928415 234.8643   18.15376 234.8643   18.15376 ?          ?        153.1080 5.928415 ?        ?        ?         ?        
1 1 1 11 3  15 o 434.5756 10.57393 1905.010   91.90340 1905.010   91.90340 ?          ?        434.5756 10.57393 ?        ?        ?         ?        
1 1 1 11 3  16 o 177.9083 6.696373 318.2581   23.82681 318.2581   23.82681 ?          ?        177.9083 6.696373 ?        ?        ?         ?        
1 1 1 11 3  17 o 20.33817 10.01814 -28.93255  14.18262 -28.93255  14.18262 ?          ?        20.33817 10.01814 ?        ?        ?         ?        
1 1 1 11 3  18 o 131.3593 7.125899 174.7299   18.72106 174.7299   18.72106 ?          ?        131.3593 7.125899 ?        ?        ?         ?        
1 1 1 11 3  19 o 137.1030 7.241153 191.1818   19.85567 191.1818   19.85567 ?          ?        137.1030 7.241153 ?        ?        ?         ?        
1 1 1 11 4  0  o 228.0440 5.979585 521.3533   27.23064 521.3533   27.23064 521.3533   27.23064 228.0440 5.979585 228.0440 5.979585 -0.000000 0.000000 
1 1 1 11 4  1  o 74.53169 5.708695 55.59589   8.509575 55.59589   8.509575 ?          ?        74.53169 5.708695 ?        ?        ?         ?        
1 1 1 11 4  2  o 56.82514 7.487509 32.33638   8.509575 32.33638   8.509575 ?          ?        56.82514 7.487509 ?        ?        ?         ?        
1 1 1 11 4  3  o 236.9145 4.549657 561.6319   21.55759 561.6319   21.55759 ?          ?        236.9145 4.549657 ?        ?        ?         ?        
1 1 1 11 4  4  o 388.2724 6.428843 1509.599   49.92284 1509.599   49.92284 ?          ?        388.2724 6.428843 ?        ?        ?         ?        
1 1 1 11 4  5  o 197.5056 4.164906 390.3058   16.45185 390.3058   16.45185 ?          ?        197.5056 4.164906 ?        ?        ?         ?        
1 1 1 11 4  6  o 201.1868 4.511669 405.0558   18.15376 405.0558   18.15376 ?          ?        201.1868 4.511669 ?        ?        ?         ?        
1 1 1 11 4  7  o 148.8959 4.191086 221.8162   12.48071 221.8162   12.48071 ?          ?        148.8959 4.191086 ?        ?        ?         ?        
1 1 1 11 4  8  o 416.6281 9.055025 1738.790   75.45156 1738.790   75.45156 ?          ?        416.6281 9.055025 ?        ?        ?         ?        
1 1 1 11 4  9  o 49.00019 10.18002 24.96142   9.644185 24.96142   9.644185 ?          ?        49.00019 10.18002 ?        ?        ?         ?        
1 1 1 11 4  10 o 326.1902 9.652474 1065.966   62.97085 1065.966   62.97085 ?          ?        326.1902 9.652474 ?        ?        ?         ?        
1 1 1 11 4  11 o 514.4842 11.35748 2656.122   116.8648 2656.122   116.8648 ?          ?        514.4842 11.35748 ?        ?        ?         ?        
1 1 1 11 4  12 o 103.2009 6.596513 106.6533   13.61532 106.6533   13.61532 ?          ?        103.2009 6.596513 ?        ?        ?         ?        
1 1 1 11 4  13 o 526.1028 12.50846 2783.766   131.6148 2783.766   131.6148 ?          ?        526.1028 12.50846 ?        ?        ?         ?        
1 1 1 11 4  14 o 61.76373 11.90624 39.71135   14.18262 39.71135   14.18262 ?          ?        61.76373 11.90624 ?        ?        ?         ?        
1 1 1 11 4  15 o 575.7773 16.40500 3386.244   188.9126 3386.244   188.9126 ?          ?        575.7773 16.40500 ?        ?        ?         ?        
1 1 1 11 4  16 o 267.0545 7.966141 718.7754   42.54787 718.7754   42.54787 ?          ?        267.0545 7.966141 ?        ?        ?         ?        
1 1 1 11 4  17 o 161.3650 7.207111 262.6622   23.25950 262.6622   23.25950 ?          ?        161.3650 7.207111 ?        ?        ?         ?        
1 1 1 11 4  18 o 194.0712 6.577156 380.6616   25.52872 380.6616   25.52872 ?          ?        194.0712 6.577156 ?        ?        ?         ?        
1 1 1 11 4  19 o 45.21778 14.75475 21.55759   15.31723 21.55759   15.31723 ?          ?        45.21778 14.75475 ?        ?        ?         ?        
1 1 1 11 5  0  o 346.0386 8.125113 1200.417   56.16319 1200.417   56.16319 1200.417   56.16319 346.0386 8.125113 346.0386 8.125113 -0.000000 0.000000 
1 1 1 11 5  1  o 154.6636 5.685388 239.4027   17.58645 239.4027   17.58645 ?          ?        154.6636 5.685388 ?        ?        ?         ?        
1 1 1 11 5  2  o 354.8713 6.154693 1260.552   43.68248 1260.552   43.68248 ?          ?        354.8713 6.154693 ?        ?        ?         ?        
1 1 1 11 5  3  o 282.9842 5.713460 801.6019   32.33638 801.6019   32.33638 ?          ?        282.9842 5.713460 ?        ?        ?         ?        
1 1 1 11 5  4  o 173.5109 4.250433 301.2389   14.74993 301.2389   14.74993 ?          ?        173.5109 4.250433 ?        ?        ?         ?        
1 1 1 11 5  5  o 361.2572 5.810343 1306.503   41.98057 1306.503   41.98057 ?          ?        361.2572 5.810343 ?        ?        ?         ?        
1 1 1 11 5  6  o 146.1956 4.268498 213.8740   12.48071 213.8740   12.48071 ?          ?        146.1956 4.268498 ?        ?        ?         ?        
1 1 1 11 5  7  o 193.5884 4.542228 374.9886   17.58645 374.9886   17.58645 ?          ?        193.5884 4.542228 ?        ?        ?         ?        
1 1 1 11 5  8  o 165.4957 4.627685 274.0083   15.31723 274.0083   15.31723 ?          ?        165.4957 4.627685 ?        ?        ?         ?        
1 1 1 11 5  9  o 153.7721 4.980498 236.5662   15.31723 236.5662   15.31723 ?          ?        153.7721 4.980498 ?        ?        ?         ?        
1 1 1 11 5  10 f 408.1601 9.590364 1669.011   78.28809 1669.011   78.28809 ?          ?        408.1601 9.590364 ?        ?        ?         ?        
1 1 1 11 5  11 o 774.8265 24.05179 6098.528   372.7193 6098.528   372.7193 ?          ?        774.8265 24.05179 ?        ?        ?         ?        
1 1 1 11 5  12 o 337.6282 8.401327 1142.552   56.73050 1142.552   56.73050 ?          ?        337.6282 8.401327 ?        ?        ?         ?        
1 1 1 11 5  13 f 468.3025 11.26609 2203.413   105.5187 2203.413   105.5187 ?          ?        468.3025 11.26609 ?        ?        ?         ?        
1 1 1 11 5  14 o 328.2005 8.383379 1081.283   55.02858 1081.283   55.02858 ?          ?        328.2005 8.383379 ?        ?        ?         ?        
1 1 1 11 5  15 o 273.9583 7.454777 753.9482   40.84595 753.9482   40.84595 ?          ?        273.9583 7.454777 ?        ?        ?         ?        
1 1 1 11 5  16 o 157.9614 6.284975 250.7488   19.85567 250.7488   19.85567 ?          ?        157.9614 6.284975 ?        ?        ?         ?        
1 1 1 11 5  17 o 86.65955 8.510273 76.01886   14.74993 76.01886   14.74993 ?          ?        86.65955 8.510273 ?        ?        ?         ?        
1 1 1 11 5  18 o 125.7282 6.993836 159.9800   17.58645 159.9800   17.58645 ?          ?        125.7282 6.993836 ?        ?        ?         ?        
1 1 1 11 5  19 o 146.6146 6.964851 218.4124   20.42298 218.4124   20.42298 ?          ?        146.6146 6.964851 ?        ?        ?         ?        
1 1 1 11 6  0  o 199.1478 5.564494 397.6808   22.12490 397.6808   22.12490 397.6808   22.12490 199.1478 5.564494 199.1478 5.564494 -0.000000 0.000000 
1 1 1 11 6  1  o 443.9364 6.836748 1973.087   60.70163 1973.087   60.70163 ?          ?        443.9364 6.836748 ?        ?        ?         ?        
1 1 1 11 6  2  o 271.0756 4.604143 735.2272   24.96142 735.2272   24.96142 ?          ?        271.0756 4.604143 ?        ?        ?         ?        
1 1 1 11 6  3  o 213.2378 4.389716 454.9786   18.72106 454.9786   18.72106 ?          ?        213.2378 4.389716 ?        ?        ?         ?        
1 1 1 11 6  4  o 155.7814 4.005840 242.8065   12.48071 242.8065   12.48071 ?          ?        155.7814 4.005840 ?        ?        ?         ?        
1 1 1 11 6  5  o 118.5738 4.545186 140.6916   10.77879 140.6916   10.77879 ?          ?        118.5738 4.545186 ?        ?        ?         ?        
1 1 1 11 6  6  o 152.2763 4.098048 232.0277   12.48071 232.0277   12.48071 ?          ?        152.2763 4.098048 ?        ?        ?         ?        
1 1 1 11 6  7  o 405.0006 6.723605 1642.348   54.46128 1642.348   54.46128 ?          ?        405.0006 6.723605 ?        ?        ?         ?        
1 1 1 11 6  8  o 368.0398 9.556822 1356.994   70.34581 1356.994   70.34581 ?          ?        368.0398 9.556822 ?        ?        ?         ?        
1 1 1 11 6  9  o 557.4295 11.95817 3115.639   133.3167 3115.639   133.3167 ?          ?        557.4295 11.95817 ?        ?        ?         ?        
1 1 1 11 6  10 o 295.8957 7.285537 876.4862   43.11518 876.4862   43.11518 ?          ?        295.8957 7.285537 ?        ?        ?         ?        
1 1 1 11 6  11 o 435.6203 13.86941 1907.847   120.8360 1907.847   120.8360 ?          ?        435.6203 13.86941 ?        ?        ?         ?        
1 1 1 11 6  12 o 200.8606 5.931179 403.9211   23.82681 403.9211   23.82681 ?          ?        200.8606 5.931179 ?        ?        ?         ?        
1 1 1 11 6  13 o 304.8135 8.282137 931.5147   50.49014 931.5147   50.49014 ?          ?        304.8135 8.282137 ?        ?        ?         ?        
1 1 1 11 6  14 o 160.6613 6.355913 258.6910   20.42298 258.6910   20.42298 ?          ?        160.6613 6.355913 ?        ?        ?         ?        
1 1 1 11 6  15 o 168.7533 6.891570 285.9217   23.25950 285.9217   23.25950 ?          ?        168.7533 6.891570 ?        ?        ?         ?        
1 1 1 11 6  16 o 227.2041 6.616775 519.0840   30.06716 519.0840   30.06716 ?          ?        227.2041 6.616775 ?        ?        ?         ?        
1 1 1 11 6  17 o 361.9449 11.12839 1337.705   80.55730 1337.705   80.55730 ?          ?        361.9449 11.12839 ?        ?        ?         ?        
1 1 1 11 6  18 o 134.5681 7.799133 183.8068   20.99029 183.8068   20.99029 ?          ?        134.5681 7.799133 ?        ?        ?         ?        
1 1 1 11 6  19 o 120.3162 8.251457 148.0666   19.85567 148.0666   19.85567 ?          ?        120.3162 8.251457 ?        ?        ?         ?        
1 1 1 11 7  0  o 509.3699 11.09341 2602.228   112.8937 2602.228   112.8937 2602.228   112.8937 509.3699 11.09341 509.3699 11.09341 -0.000000 0.000000 
1 1 1 11 7  1  o 389.2971 6.193332 1516.973   48.22092 1516.973   48.22092 ?          ?        389.2971 6.193332 ?        ?        ?         ?        
1 1 1 11 7  2  o 194.0410 4.093089 376.6905   15.88454 376.6905   15.88454 ?          ?        194.0410 4.093089 ?        ?        ?         ?        
1 1 1 11 7  3  o 316.2951 5.201423 1001.293   32.90369 1001.293   32.90369 ?          ?        316.2951 5.201423 ?        ?        ?         ?        
1 1 1 11 7  4  o 215.7432 4.470215 465.7574   19.28837 465.7574   19.28837 ?          ?        215.7432 4.470215 ?        ?        ?         ?        
1 1 1 11 7  5  o 510.7290 8.219734 2614.141   83.96114 2614.141   83.96114 ?          ?        510.7290 8.219734 ?        ?        ?         ?        
1 1 1 11 7  6  o 150.0312 3.781248 225.2201   11.34610 225.2201   11.34610 ?          ?        150.0312 3.781248 ?        ?        ?         ?        
1 1 1 11 7  7  o 324.0400 6.390147 1051.216   41.41326 1051.216   41.41326 ?          ?        324.0400 6.390147 ?        ?        ?         ?        
1 1 1 11 7  8  o 277.4531 6.338533 770.4002   35.17290 770.4002   35.17290 ?          ?        277.4531 6.338533 ?        ?        ?         ?        
1 1 1 11 7  9  o 232.1597 7.086435 539.5070   32.90369 539.5070   32.90369 ?          ?        232.1597 7.086435 ?        ?        ?         ?        
1 1 1 11 7  10 o 227.3722 6.112873 517.3821   27.79794 517.3821   27.79794 ?          ?        227.3722 6.112873 ?        ?        ?         ?        
1 1 1 11 7  11 o 275.0009 7.117075 757.3521   39.14404 757.3521   39.14404 ?          ?        275.0009 7.117075 ?        ?        ?         ?        
1 1 1 11 7  12 o 146.7111 6.766929 215.5759   19.85567 215.5759   19.85567 ?          ?        146.7111 6.766929 ?        ?        ?         ?        
1 1 1 11 7  13 o 468.8976 13.30857 2213.624   124.8071 2213.624   124.8071 ?          ?        468.8976 13.30857 ?        ?        ?         ?        
1 1 1 11 7  14 o 322.8134 8.962626 1046.678   57.86510 1046.678   57.86510 ?          ?        322.8134 8.962626 ?        ?        ?         ?        
1 1 1 11 7  15 o 256.6895 8.619321 663.1795   44.24979 663.1795   44.24979 ?          ?        256.6895 8.619321 ?        ?        ?         ?        
1 1 1 11 7  16 o 158.9229 6.960891 254.1526   22.12490 254.1526   22.12490 ?          ?        158.9229 6.960891 ?        ?        ?         ?        
1 1 1 11 7  17 o 333.0625 9.368144 1126.100   62.40355 1126.100   62.40355 ?          ?        333.0625 9.368144 ?        ?        ?         ?        
1 1 1 11 7  18 o 55.38332 14.63173 33.47099   16.45185 33.47099   16.45185 ?          ?        55.38332 14.63173 ?        ?        ?         ?        
1 1 1 11 7  19 o 110.1970 8.236957 124.2398   18.15376 124.2398   18.15376 ?          ?        110.1970 8.236957 ?        ?        ?         ?        
1 1 1 11 8  0  o 749.8892 15.71312 5648.088   235.4316 5648.088   235.4316 5648.088   235.4316 749.8892 15.71312 749.8892 15.71312 -0.000000 0.000000 
1 1 1 11 8  1  o 39.73375 9.995687 16.45185   7.942269 16.45185   7.942269 ?          ?        39.73375 9.995687 ?        ?        ?         ?        
1 1 1 11 8  2  f 116.6562 4.133592 136.1532   9.644185 136.1532   9.644185 ?          ?        116.6562 4.133592 ?        ?        ?         ?        
1 1 1 11 8  3  o 94.33977 4.810739 89.06688   9.076880 89.06688   9.076880 ?          ?        94.33977 4.810739 ?        ?        ?         ?        
1 1 1 11 8  4  o 121.6511 3.963871 148.0666   9.644185 148.0666   9.644185 ?          ?        121.6511 3.963871 ?        ?        ?         ?        
1 1 1 11 8  5  o 338.9622 6.443562 1150.494   43.68248 1150.494   43.68248 ?          ?        338.9622 6.443562 ?        ?        ?         ?        
1 1 1 11 8  6  o 189.1274 4.349408 357.9694   16.45185 357.9694   16.45185 ?          ?        189.1274 4.349408 ?        ?        ?         ?        
1 1 1 11 8  7  o 272.3529 6.353080 742.6021   34.60560 742.6021   34.60560 ?          ?        272.3529 6.353080 ?        ?        ?         ?        
1 1 1 11 8  8  o 438.1496 8.869205 1922.596   77.72078 1922.596   77.72078 ?          ?        438.1496 8.869205 ?        ?        ?         ?        
1 1 1 11 8  9  o 589.0906 13.62671 3483.252   160.5473 3483.252   160.5473 ?          ?        589.0906 13.62671 ?        ?        ?         ?        
1 1 1 11 8  10 o 265.1333 5.777183 703.4582   30.63447 703.4582   30.63447 ?          ?        265.1333 5.777183 ?        ?        ?         ?        
1 1 1 11 8  11 o 214.9224 5.675099 462.3535   24.39412 462.3535   24.39412 ?          ?        214.9224 5.675099 ?        ?        ?         ?        
1 1 1 11 8  12 o 271.5031 7.626667 738.6310   41.41326 738.6310   41.41326 ?          ?        271.5031 7.626667 ?        ?        ?         ?        
1 1 1 11 8  13 o 564.1819 15.78691 3214.350   178.1338 3214.350   178.1338 ?          ?        564.1819 15.78691 ?        ?        ?         ?        
1 1 1 11 8  14 o 513.5554 13.25594 2662.929   136.1532 2662.929   136.1532 ?          ?        513.5554 13.25594 ?        ?        ?         ?        
1 1 1 11 8  15 o 424.8775 11.21585 1825.587   95.30723 1825.587   95.30723 ?          ?        424.8775 11.21585 ?        ?        ?         ?        
1 1 1 11 8  16 o 35.70750 13.86079 8.509575   14.18262 8.509575   14.18262 ?          ?        35.70750 13.86079 ?        ?        ?         ?        
1 1 1 11 8  17 o 20.46452 10.06030 -28.36525  14.18262 -28.36525  14.18262 ?          ?        20.46452 10.06030 ?        ?        ?         ?        
1 1 1 11 8  18 o 169.0259 7.048273 289.3255   23.82681 289.3255   23.82681 ?          ?        169.0259 7.048273 ?        ?        ?         ?        
1 1 1 11 8  19 o 124.9823 9.532075 161.1146   23.82681 161.1146   23.82681 ?          ?        124.9823 9.532075 ?        ?        ?         ?        
1 1 1 11 9  0  o 367.2997 8.427546 1352.455   61.83624 1352.455   61.83624 1352.455   61.83624 367.2997 8.427546 367.2997 8.427546 -0.000000 0.000000 
1 1 1 11 9  1  o 281.9300 4.929938 795.3616   27.79794 795.3616   27.79794 ?          ?        281.9300 4.929938 ?        ?        ?         ?        
1 1 1 11 9  2  o 149.4759 3.605528 223.5181   10.77879 223.5181   10.77879 ?          ?        149.4759 3.605528 ?        ?        ?         ?        
1 1 1 11 9  3  o 239.1757 4.388048 572.4106   20.99029 572.4106   20.99029 ?          ?        239.1757 4.388048 ?        ?        ?         ?        
1 1 1 11 9  4  o 126.4529 3.813352 159.9800   9.644185 159.9800   9.644185 ?          ?        126.4529 3.813352 ?        ?        ?         ?        
1 1 1 11 9  5  o 213.6303 4.514428 456.6805   19.28837 456.6805   19.28837 ?          ?        213.6303 4.514428 ?        ?        ?         ?        
1 1 1 11 9  6  o 232.1777 4.398136 539.5070   20.42298 539.5070   20.42298 ?          ?        232.1777 4.398136 ?        ?        ?         ?        
1 1 1 11 9  7  o 585.2961 12.60040 3441.272   147.4993 3441.272   147.4993 ?          ?        585.2961 12.60040 ?        ?        ?         ?        
1 1 1 11 9  8  o 556.0201 11.12122 3098.620   123.6725 3098.620   123.6725 ?          ?        556.0201 11.12122 ?        ?        ?         ?        
1 1 1 11 9  9  o 606.2639 12.16461 3686.915   147.4993 3686.915   147.4993 ?          ?        606.2639 12.16461 ?        ?        ?         ?        
1 1 1 11 9  10 o 410.7339 10.49711 1691.136   86.23035 1691.136   86.23035 ?          ?        410.7339 10.49711 ?        ?        ?         ?        
1 1 1 11 9  11 o 371.3379 10.69413 1383.657   79.42269 1383.657   79.42269 ?          ?        371.3379 10.69413 ?        ?        ?         ?        
1 1 1 11 9  12 f 222.0054 6.260646 493.5553   27.79794 493.5553   27.79794 ?          ?        222.0054 6.260646 ?        ?        ?         ?        
1 1 1 11 9  13 o 522.5043 16.34042 2759.938   170.7588 2759.938   170.7588 ?          ?        522.5043 16.34042 ?        ?        ?         ?        
1 1 1 11 9  14 o 484.8470 12.51975 2371.335   121.4033 2371.335   121.4033 ?          ?        484.8470 12.51975 ?        ?        ?         ?        
1 1 1 11 9  15 o 164.3780 7.937811 271.7391   26.09603 271.7391   26.09603 ?          ?        164.3780 7.937811 ?        ?        ?         ?        
1 1 1 11 9  16 o 83.01078 9.567758 69.77851   15.88454 69.77851   15.88454 ?          ?        83.01078 9.567758 ?        ?        ?         ?        
1 1 1 11 9  17 o 96.49899 7.936474 94.17262   15.31723 94.17262   15.31723 ?          ?        96.49899 7.936474 ?        ?        ?         ?        
1 1 1 11 9  18 o 138.2169 9.645466 195.7202   26.66333 195.7202   26.66333 ?          ?        138.2169 9.645466 ?        ?        ?         ?        
1 1 1 11 9  19 o 138.3828 9.838880 197.9895   27.23064 197.9895   27.23064 ?          ?        138.3828 9.838880 ?        ?        ?         ?        
1 1 1 11 10 0  o 367.1609 8.198190 1351.320   60.13433 1351.320   60.13433 1351.320   60.13433 367.1609 8.198190 367.1609 8.198190 -0.000000 0.000000 
1 1 1 11 10 1  o 254.0131 4.466737 645.5931   22.69220 645.5931   22.69220 ?          ?        254.0131 4.466737 ?        ?        ?         ?        
1 1 1 11 10 2  o 216.9376 4.053343 470.8631   17.58645 470.8631   17.58645 ?          ?        216.9376 4.053343 ?        ?        ?         ?        
1 1 1 11 10 3  o 338.9310 5.607252 1149.927   38.00943 1149.927   38.00943 ?          ?        338.9310 5.607252 ?        ?        ?         ?        
1 1 1 11 10 4  o 250.0626 4.537304 625.7374   22.69220 625.7374   22.69220 ?          ?        250.0626 4.537304 ?        ?        ?         ?        
1 1 1 11 10 5  o 91.27842 5.282839 83.39383   9.644185 83.39383   9.644185 ?          ?        91.27842 5.282839 ?        ?        ?         ?        
1 1 1 11 10 6  o 513.9025 8.334562 2648.747   85.66305 2648.747   85.66305 ?          ?        513.9025 8.334562 ?        ?        ?         ?        
1 1 1 11 10 7  o 464.4103 10.93296 2164.268   101.5476 2164.268   101.5476 ?          ?        464.4103 10.93296 ?        ?        ?         ?        
1 1 1 11 10 8  o 192.2746 5.310888 369.8828   20.42298 369.8828   20.42298 ?          ?        192.2746 5.310888 ?        ?        ?         ?        
1 1 1 11 10 9  o 342.0161 8.293541 1171.485   56.73050 1171.485   56.73050 ?          ?        342.0161 8.293541 ?        ?        ?         ?        
1 1 1 11 10 10 f 627.5268 15.77538 3960.356   197.9895 3960.356   197.9895 ?          ?        627.5268 15.77538 ?        ?        ?         ?        
1 1 1 11 10 11 o 309.3896 7.242825 958.7454   44.81709 958.7454   44.81709 ?          ?        309.3896 7.242825 ?        ?        ?         ?        
1 1 1 11 10 12 o 299.5839 8.237348 899.7457   49.35553 899.7457   49.35553 ?          ?        299.5839 8.237348 ?        ?        ?         ?        
1 1 1 11 10 13 o 228.8317 7.065538 524.7571   32.33638 524.7571   32.33638 ?          ?        228.8317 7.065538 ?        ?        ?         ?        
1 1 1 11 10 14 o 310.8994 7.937541 970.0915   49.35553 970.0915   49.35553 ?          ?        310.8994 7.937541 ?        ?        ?         ?        
1 1 1 11 10 15 o 181.9296 7.016100 332.4407   25.52872 332.4407   25.52872 ?          ?        181.9296 7.016100 ?        ?        ?         ?        
1 1 1 11 10 16 o 188.4149 6.021868 356.8348   22.69220 356.8348   22.69220 ?          ?        188.4149 6.021868 ?        ?        ?         ?        
1 1 1 11 10 17 o 268.2210 9.200535 730.6888   49.35553 730.6888   49.35553 ?          ?        268.2210 9.200535 ?        ?        ?         ?        
1 1 1 11 10 18 o 174.0479 8.311666 308.6139   28.93255 308.6139   28.93255 ?          ?        174.0479 8.311666 ?        ?        ?         ?        
1 1 1 11 10 19 o 159.2382 9.440940 261.5276   30.06716 261.5276   30.06716 ?          ?        159.2382 9.440940 ?        ?        ?         ?        
1 1 1 11 11 0  o 623.8963 13.19791 3907.596   164.5184 3907.596   164.5184 3907.596   164.5184 623.8963 13.19791 623.8963 13.19791 -0.000000 0.000000 
1 1 1 11 11 1  o 253.3334 4.590690 642.1892   23.25950 642.1892   23.25950 ?          ?        253.3334 4.590690 ?        ?        ?         ?        
1 1 1 11 11 2  o 267.2681 4.563603 714.8043   24.39412 714.8043   24.39412 ?          ?        267.2681 4.563603 ?        ?        ?         ?        
1 1 1 11 11 3  o 345.3096 5.585819 1193.610   38.57674 1193.610   38.57674 ?          ?        345.3096 5.585819 ?        ?        ?         ?        
1 1 1 11 11 4  o 224.8722 4.667159 506.0360   20.99029 506.0360   20.99029 ?          ?        224.8722 4.667159 ?        ?        ?         ?        
1 1 1 11 11 5  o 322.6708 5.274462 1042.139   34.03830 1042.139   34.03830 ?          ?        322.6708 5.274462 ?        ?        ?         ?        
1 1 1 11 11 6  o 339.6519 5.511838 1155.033   37.44213 1155.033   37.44213 ?          ?        339.6519 5.511838 ?        ?        ?         ?        
1 1 1 11 11 7  o 214.6558 5.814290 461.2190   24.96142 461.2190   24.96142 ?          ?        214.6558 5.814290 ?        ?        ?         ?        
1 1 1 11 11 8  o 334.9612 8.044807 1123.264   53.89397 1123.264   53.89397 ?          ?        334.9612 8.044807 ?        ?        ?         ?        
1 1 1 11 11 9  o 129.7538 5.902422 168.4896   15.31723 168.4896   15.31723 ?          ?        129.7538 5.902422 ?        ?        ?         ?        
1 1 1 11 11 10 f 113.6736 6.487844 129.3455   14.74993 129.3455   14.74993 ?          ?        113.6736 6.487844 ?        ?        ?         ?        
1 1 1 11 11 11 o 720.1088 15.67731 5224.312   225.7874 5224.312   225.7874 ?          ?        720.1088 15.67731 ?        ?        ?         ?        
1 1 1 11 11 12 o 516.1413 11.43092 2677.112   117.9994 2677.112   117.9994 ?          ?        516.1413 11.43092 ?        ?        ?         ?        
1 1 1 11 11 13 o 219.6375 6.586433 483.3438   28.93255 483.3438   28.93255 ?          ?        219.6375 6.586433 ?        ?        ?         ?        
1 1 1 11 11 14 o 350.9495 8.244079 1236.725   57.86510 1236.725   57.86510 ?          ?        350.9495 8.244079 ?        ?        ?         ?        
1 1 1 11 11 15 o 173.9362 6.033905 303.5081   20.99029 303.5081   20.99029 ?          ?        173.9362 6.033905 ?        ?        ?         ?        
1 1 1 11 11 16 o 193.2851 8.218192 377.2578   31.76908 377.2578   31.76908 ?          ?        193.2851 8.218192 ?        ?        ?         ?        
1 1 1 11 11 17 o 152.6240 9.664228 237.1335   29.49986 237.1335   29.49986 ?          ?        152.6240 9.664228 ?        ?        ?         ?        
1 1 1 11 11 18 o 180.1019 9.134742 331.8734   32.90369 331.8734   32.90369 ?          ?        180.1019 9.134742 ?        ?        ?         ?        
1 1 1 11 11 19 o 93.74234 13.61643 93.60532   25.52872 93.60532   25.52872 ?          ?        93.74234 13.61643 ?        ?        ?         ?        
1 1 1 11 12 0  o 446.6873 10.04451 2001.452   89.63419 2001.452   89.63419 2001.452   89.63419 446.6873 10.04451 446.6873 10.04451 -0.000000 0.000000 
1 1 1 11 12 1  o 196.9354 4.032931 388.0366   15.88454 388.0366   15.88454 ?          ?        196.9354 4.032931 ?        ?        ?         ?        
1 1 1 11 12 2  f 260.2857 4.468071 677.9294   23.25950 677.9294   23.25950 ?          ?        260.2857 4.468071 ?        ?        ?         ?        
1 1 1 11 12 3  o 142.4779 3.782620 203.0952   10.77879 203.0952   10.77879 ?          ?        142.4779 3.782620 ?        ?        ?         ?        
1 1 1 11 12 4  o 131.0721 4.111780 171.8934   10.77879 171.8934   10.77879 ?          ?        131.0721 4.111780 ?        ?        ?         ?        
1 1 1 11 12 5  o 82.80799 5.480679 68.64390   9.076880 68.64390   9.076880 ?          ?        82.80799 5.480679 ?        ?        ?         ?        
1 1 1 11 12 6  o 201.0511 4.373629 404.4884   17.58645 404.4884   17.58645 ?          ?        201.0511 4.373629 ?        ?        ?         ?        
1 1 1 11 12 7  o 605.6791 15.45461 3692.021   187.2106 3692.021   187.2106 ?          ?        605.6791 15.45461 ?        ?        ?         ?        
1 1 1 11 12 8  o 807.5770 17.14046 6554.642   276.8448 6554.642   276.8448 ?          ?        807.5770 17.14046 ?        ?        ?         ?        
1 1 1 11 12 9  o 181.3468 4.848845 329.0369   17.58645 329.0369   17.58645 ?          ?        181.3468 4.848845 ?        ?        ?         ?        
1 1 1 11 12 10 o 411.7786 9.161666 1699.078   75.45156 1699.078   75.45156 ?          ?        411.7786 9.161666 ?        ?        ?         ?        
1 1 1 11 12 11 o 259.6573 6.554465 675.0929   34.03830 675.0929   34.03830 ?          ?        259.6573 6.554465 ?        ?        ?         ?        
1 1 1 11 12 12 o 392.9258 9.601250 1549.310   75.45156 1549.310   75.45156 ?          ?        392.9258 9.601250 ?        ?        ?         ?        
1 1 1 11 12 13 o 67.25673 8.434917 45.38440   11.34610 45.38440   11.34610 ?          ?        67.25673 8.434917 ?        ?        ?         ?        
1 1 1 11 12 14 o 549.8672 13.25751 3057.774   145.7974 3057.774   145.7974 ?          ?        549.8672 13.25751 ?        ?        ?         ?        
1 1 1 11 12 15 o 146.0961 9.125274 215.0086   26.66333 215.0086   26.66333 ?          ?        146.0961 9.125274 ?        ?        ?         ?        
1 1 1 11 12 16 o 154.7647 8.797430 242.2392   27.23064 242.2392   27.23064 ?          ?        154.7647 8.797430 ?        ?        ?         ?        
1 1 1 11 12 17 o 182.1182 8.877855 336.9791   32.33638 336.9791   32.33638 ?          ?        182.1182 8.877855 ?        ?        ?         ?        
1 1 1 11 12 18 o 81.40150 15.54049 72.61504   24.39412 72.61504   24.39412 ?          ?        81.40150 15.54049 ?        ?        ?         ?        
1 1 1 11 12 19 o 133.9639 20.11512 204.7971   53.89397 204.7971   53.89397 ?          ?        133.9639 20.11512 ?        ?        ?         ?        
1 1 1 11 13 0  o 118.0773 6.283428 140.6916   14.74993 140.6916   14.74993 140.6916   14.74993 118.0773 6.283428 118.0773 6.283428 -0.000000 0.000000 
1 1 1 11 13 1  o 113.1884 4.761438 128.2109   10.77879 128.2109   10.77879 ?          ?        113.1884 4.761438 ?        ?        ?         ?        
1 1 1 11 13 2  o 406.2537 6.283937 1652.559   51.05745 1652.559   51.05745 ?          ?        406.2537 6.283937 ?        ?        ?         ?        
1 1 1 11 13 3  o 195.0559 3.926371 380.6616   15.31723 380.6616   15.31723 ?          ?        195.0559 3.926371 ?        ?        ?         ?        
1 1 1 11 13 4  o 96.42172 4.706864 93.03801   9.076880 93.03801   9.076880 ?          ?        96.42172 4.706864 ?        ?        ?         ?        
1 1 1 11 13 5  o 378.0323 6.452918 1431.310   48.78823 1431.310   48.78823 ?          ?        378.0323 6.452918 ?        ?        ?         ?        
1 1 1 11 13 6  o 299.1691 5.214739 895.7745   31.20177 895.7745   31.20177 ?          ?        299.1691 5.214739 ?        ?        ?         ?        
1 1 1 11 13 7  o 621.9249 15.78065 3891.145   196.2875 3891.145   196.2875 ?          ?        621.9249 15.78065 ?        ?        ?         ?        
1 1 1 11 13 8  o 745.4132 17.12387 5583.982   255.2872 5583.982   255.2872 ?          ?        745.4132 17.12387 ?        ?        ?         ?        
1 1 1 11 13 9  o 397.7554 9.342041 1585.050   74.31695 1585.050   74.31695 ?          ?        397.7554 9.342041 ?        ?        ?         ?        
1 1 1 11 13 10 o 256.8452 6.294917 660.3430   32.33638 660.3430   32.33638 ?          ?        256.8452 6.294917 ?        ?        ?         ?        
1 1 1 11 13 11 o 125.5278 5.423227 157.7108   13.61532 157.7108   13.61532 ?          ?        125.5278 5.423227 ?        ?        ?         ?        
1 1 1 11 13 12 o 297.7877 8.096526 888.9669   48.22092 888.9669   48.22092 ?          ?        297.7877 8.096526 ?        ?        ?         ?        
1 1 1 11 13 13 o 558.2478 13.16010 3141.735   146.9320 3141.735   146.9320 ?          ?        558.2478 13.16010 ?        ?        ?         ?        
1 1 1 11 13 14 o 380.3570 9.247340 1455.137   70.34581 1455.137   70.34581 ?          ?        380.3570 9.247340 ?        ?        ?         ?        
1 1 1 11 13 15 o 221.9204 8.563754 495.8246   38.00943 495.8246   38.00943 ?          ?        221.9204 8.563754 ?        ?        ?         ?        
1 1 1 11 13 16 o 179.3704 8.381307 325.0657   30.06716 325.0657   30.06716 ?          ?        179.3704 8.381307 ?        ?        ?         ?        
1 1 1 11 13 17 o 70.46529 21.65920 55.59589   33.47099 55.59589   33.47099 ?          ?        70.46529 21.65920 ?        ?        ?         ?        
1 1 1 11 13 18 o 34.17131 15.29430 -6.807660  21.55759 -6.807660  21.55759 ?          ?        34.17131 15.29430 ?        ?        ?         ?        
1 1 1 11 13 19 o 241.0193 10.23892 601.9106   49.35553 601.9106   49.35553 ?          ?        241.0193 10.23892 ?        ?        ?         ?        
1 1 1 11 14 0  o 77.17011 7.480628 61.26894   11.34610 61.26894   11.34610 61.26894   11.34610 77.17011 7.480628 77.17011 7.480628 -0.000000 0.000000 
1 1 1 11 14 1  o 243.9895 4.301472 595.6702   20.99029 595.6702   20.99029 ?          ?        243.9895 4.301472 ?        ?        ?         ?        
1 1 1 11 14 2  o 265.2425 4.598455 704.0255   24.39412 704.0255   24.39412 ?          ?        265.2425 4.598455 ?        ?        ?         ?        
1 1 1 11 14 3  o 131.2879 4.105022 172.4607   10.77879 172.4607   10.77879 ?          ?        131.2879 4.105022 ?        ?        ?         ?        
1 1 1 11 14 4  o 392.1508 6.075931 1539.666   47.65361 1539.666   47.65361 ?          ?        392.1508 6.075931 ?        ?        ?         ?        
1 1 1 11 14 5  o 356.6110 6.045127 1273.600   43.11518 1273.600   43.11518 ?          ?        356.6110 6.045127 ?        ?        ?         ?        
1 1 1 11 14 6  o 303.7774 5.415757 923.5726   32.90369 923.5726   32.90369 ?          ?        303.7774 5.415757 ?        ?        ?         ?        
1 1 1 11 14 7  o 341.0771 7.318411 1164.677   49.92284 1164.677   49.92284 ?          ?        341.0771 7.318411 ?        ?        ?         ?        
1 1 1 11 14 8  o 773.5237 16.46491 6011.164   254.7199 6011.164   254.7199 ?          ?        773.5237 16.46491 ?        ?        ?         ?        
1 1 1 11 14 9  o 677.6824 19.12831 4626.939   259.2584 4626.939   259.2584 ?          ?        677.6824 19.12831 ?        ?        ?         ?        
1 1 1 11 14 10 o 269.5962 9.364031 728.4196   50.49014 728.4196   50.49014 ?          ?        269.5962 9.364031 ?        ?        ?         ?        
1 1 1 11 14 11 o 455.9319 10.82520 2085.980   98.71106 2085.980   98.71106 ?          ?        455.9319 10.82520 ?        ?        ?         ?        
1 1 1 11 14 12 o 326.3489 8.170192 1067.668   53.32666 1067.668   53.32666 ?          ?        326.3489 8.170192 ?        ?        ?         ?        
1 1 1 11 14 13 o 201.1730 7.049965 405.6230   28.36525 405.6230   28.36525 ?          ?        201.1730 7.049965 ?        ?        ?         ?        
1 1 1 11 14 14 o 293.2458 7.641557 863.4382   44.81709 863.4382   44.81709 ?          ?        293.2458 7.641557 ?        ?        ?         ?        
1 1 1 11 14 15 o 262.2270 8.978161 693.2466   47.08631 693.2466   47.08631 ?          ?        262.2270 8.978161 ?        ?        ?         ?        
1 1 1 11 14 16 o 180.8399 12.54823 334.7099   45.38440 334.7099   45.38440 ?          ?        180.8399 12.54823 ?        ?        ?         ?        
1 1 1 11 14 17 o 43.60857 17.75316 10.21149   24.39412 10.21149   24.39412 ?          ?        43.60857 17.75316 ?        ?        ?         ?        
1 1 1 11 14 18 o 27.01585 13.17919 -39.71135  23.25950 -39.71135  23.25950 ?          ?        27.01585 13.17919 ?        ?        ?         ?        
1 1 1 11 15 0  o 136.5599 6.259596 187.7779   17.01915 187.7779   17.01915 187.7779   17.01915 136.5599 6.259596 136.5599 6.259596 -0.000000 0.000000 
1 1 1 11 15 1  o 386.8372 6.086064 1498.252   47.08631 1498.252   47.08631 ?          ?        386.8372 6.086064 ?        ?        ?         ?        
1 1 1 11 15 2  o 175.6268 4.037715 308.6139   14.18262 308.6139   14.18262 ?          ?        175.6268 4.037715 ?        ?        ?         ?        
1 1 1 11 15 3  o 157.7683 4.135183 249.0469   13.04801 249.0469   13.04801 ?          ?        157.7683 4.135183 ?        ?        ?         ?        
1 1 1 11 15 4  o 388.2921 6.136311 1509.599   47.65361 1509.599   47.65361 ?          ?        388.2921 6.136311 ?        ?        ?         ?        
1 1 1 11 15 5  o 557.0356 8.402095 3112.235   93.60532 3112.235   93.60532 ?          ?        557.0356 8.402095 ?        ?        ?         ?        
1 1 1 11 15 6  o 508.8454 11.81780 2599.391   120.2687 2599.391   120.2687 ?          ?        508.8454 11.81780 ?        ?        ?         ?        
1 1 1 11 15 7  o 128.8966 4.841363 166.2204   12.48071 166.2204   12.48071 ?          ?        128.8966 4.841363 ?        ?        ?         ?        
1 1 1 11 15 8  o 842.4132 17.87952 7137.263   301.2389 7137.263   301.2389 ?          ?        842.4132 17.87952 ?        ?        ?         ?        
1 1 1 11 15 9  o 365.0755 8.857451 1334.869   64.67276 1334.869   64.67276 ?          ?        365.0755 8.857451 ?        ?        ?         ?        
1 1 1 11 15 10 o 269.5204 8.840446 727.8522   47.65361 727.8522   47.65361 ?          ?        269.5204 8.840446 ?        ?        ?         ?        
1 1 1 11 15 11 o 448.2703 11.45316 2017.337   102.6822 2017.337   102.6822 ?          ?        448.2703 11.45316 ?        ?        ?         ?        
1 1 1 11 15 12 o 468.1093 11.14955 2201.143   104.3841 2201.143   104.3841 ?          ?        468.1093 11.14955 ?        ?        ?         ?        
1 1 1 11 15 13 o 132.0804 6.013208 174.7299   15.88454 174.7299   15.88454 ?          ?        132.0804 6.013208 ?        ?        ?         ?        
1 1 1 11 15 14 o 137.7431 15.44464 192.8837   42.54787 192.8837   42.54787 ?          ?        137.7431 15.44464 ?        ?        ?         ?        
1 1 1 11 15 15 o 171.8634 8.582354 297.8351   29.49986 297.8351   29.49986 ?          ?        171.8634 8.582354 ?        ?        ?         ?        
1 1 1 11 15 16 o 41.45306 16.89668 7.942269   22.12490 7.942269   22.12490 ?          ?        41.45306 16.89668 ?        ?        ?         ?        
1 1 1 11 15 17 f 104.7947 11.09765 112.8937   23.25950 112.8937   23.25950 ?          ?        104.7947 11.09765 ?        ?        ?         ?        
1 1 1 11 15 18 o 95.83849 12.43071 95.87454   23.82681 95.87454   23.82681 ?          ?        95.83849 12.43071 ?        ?        ?         ?        
1 1 1 11 16 0  o 90.16602 7.004223 82.82652   12.48071 82.82652   12.48071 82.82652   12.48071 90.16602 7.004223 90.16602 7.004223 -0.000000 0.000000 
1 1 1 11 16 1  o 895.5125 13.17675 8065.375   235.9989 8065.375   235.9989 ?          ?        895.5125 13.17675 ?        ?        ?         ?        
1 1 1 11 16 2  o 463.8497 7.154761 2155.192   66.37468 2155.192   66.37468 ?          ?        463.8497 7.154761 ?        ?        ?         ?        
1 1 1 11 16 3  o 139.8591 4.259074 195.7202   11.91340 195.7202   11.91340 ?          ?        139.8591 4.259074 ?        ?        ?         ?        
1 1 1 11 16 4  o 463.2121 8.144385 2150.653   75.45156 2150.653   75.45156 ?          ?        463.2121 8.144385 ?        ?        ?         ?        
1 1 1 11 16 5  o 407.1813 6.826921 1661.069   55.59589 1661.069   55.59589 ?          ?        407.1813 6.826921 ?        ?        ?         ?        
1 1 1 11 16 6  o 343.7121 7.674935 1183.398   52.75936 1183.398   52.75936 ?          ?        343.7121 7.674935 ?        ?        ?         ?        
1 1 1 11 16 7  o 318.7738 7.296554 1017.178   46.51900 1017.178   46.51900 ?          ?        318.7738 7.296554 ?        ?        ?         ?        
1 1 1 11 16 8  o 350.1140 7.372563 1227.081   51.62476 1227.081   51.62476 ?          ?        350.1140 7.372563 ?        ?        ?         ?        
1 1 1 11 16 9  o 103.7765 6.559922 107.7879   13.61532 107.7879   13.61532 ?          ?        103.7765 6.559922 ?        ?        ?         ?        
1 1 1 11 16 10 o 293.5067 7.924693 862.8708   46.51900 862.8708   46.51900 ?          ?        293.5067 7.924693 ?        ?        ?         ?        
1 1 1 11 16 11 o 187.2936 5.906473 351.1618   22.12490 351.1618   22.12490 ?          ?        187.2936 5.906473 ?        ?        ?         ?        
1 1 1 11 16 12 o 713.8463 16.68903 5146.590   238.2681 5146.590   238.2681 ?          ?        713.8463 16.68903 ?        ?        ?         ?        
1 1 1 11 16 13 o 343.9827 11.54458 1190.206   79.42269 1190.206   79.42269 ?          ?        343.9827 11.54458 ?        ?        ?         ?        
1 1 1 11 16 14 o 178.9486 8.084042 321.6619   28.93255 321.6619   28.93255 ?          ?        178.9486 8.084042 ?        ?        ?         ?        
1 1 1 11 16 15 o 107.2978 11.10312 116.8648   23.82681 116.8648   23.82681 ?          ?        107.2978 11.10312 ?        ?        ?         ?        
1 1 1 11 16 16 o 55.04945 17.19915 31.76908   20.99029 31.76908   20.99029 ?          ?        55.04945 17.19915 ?        ?        ?         ?        
1 1 1 11 16 17 o 185.5533 9.019239 350.5945   33.47099 350.5945   33.47099 ?          ?        185.5533 9.019239 ?        ?        ?         ?        
1 1 1 11 16 18 o 49.95049 18.63304 23.25950   24.96142 23.25950   24.96142 ?          ?        49.95049 18.63304 ?        ?        ?         ?        
1 1 1 11 17 0  o 87.61153 8.229101 78.85539   14.18262 78.85539   14.18262 78.85539   14.18262 87.61153 8.229101 87.61153 8.229101 -0.000000 0.000000 
1 1 1 11 17 1  o 772.5286 11.52927 5994.145   178.1338 5994.145   178.1338 ?          ?        772.5286 11.52927 ?        ?        ?         ?        
1 1 1 11 17 2  o 248.3646 4.339908 617.2278   21.55759 617.2278   21.55759 ?          ?        248.3646 4.339908 ?        ?        ?         ?        
1 1 1 11 17 3  o 347.1135 5.556790 1206.090   38.57674 1206.090   38.57674 ?          ?        347.1135 5.556790 ?        ?        ?         ?        
1 1 1 11 17 4  o 363.7935 8.264899 1326.926   60.13433 1326.926   60.13433 ?          ?        363.7935 8.264899 ?        ?        ?         ?        
1 1 1 11 17 5  o 336.1075 6.329503 1131.206   42.54787 1131.206   42.54787 ?          ?        336.1075 6.329503 ?        ?        ?         ?        
1 1 1 11 17 6  o 395.6811 8.172334 1568.598   64.67276 1568.598   64.67276 ?          ?        395.6811 8.172334 ?        ?        ?         ?        
1 1 1 11 17 7  o 96.42923 5.588966 93.03801   10.77879 93.03801   10.77879 ?          ?        96.42923 5.588966 ?        ?        ?         ?        
1 1 1 11 17 8  o 256.6591 5.857412 659.2084   30.06716 659.2084   30.06716 ?          ?        256.6591 5.857412 ?        ?        ?         ?        
1 1 1 11 17 9  o 553.5269 15.78333 3079.898   174.7299 3079.898   174.7299 ?          ?        553.5269 15.78333 ?        ?        ?         ?        
1 1 1 11 17 10 o 350.9360 10.10343 1235.023   70.91312 1235.023   70.91312 ?          ?        350.9360 10.10343 ?        ?        ?         ?        
1 1 1 11 17 11 o 407.1993 11.49380 1665.040   93.60532 1665.040   93.60532 ?          ?        407.1993 11.49380 ?        ?        ?         ?        
1 1 1 11 17 12 o 437.0230 11.29358 1918.625   98.71106 1918.625   98.71106 ?          ?        437.0230 11.29358 ?        ?        ?         ?        
1 1 1 11 17 13 o 100.6793 6.198249 101.5476   12.48071 101.5476   12.48071 ?          ?        100.6793 6.198249 ?        ?        ?         ?        
1 1 1 11 17 14 o 133.9177 9.319687 180.4030   24.96142 180.4030   24.96142 ?          ?        133.9177 9.319687 ?        ?        ?         ?        
1 1 1 11 17 15 o 417.0493 12.31056 1772.261   102.6822 1772.261   102.6822 ?          ?        417.0493 12.31056 ?        ?        ?         ?        
1 1 1 11 17 16 o 275.0870 9.589579 768.1308   52.75936 768.1308   52.75936 ?          ?        275.0870 9.589579 ?        ?        ?         ?        
1 1 1 11 17 17 o 78.49921 16.42952 67.50929   24.96142 67.50929   24.96142 ?          ?        78.49921 16.42952 ?        ?        ?         ?        
1 1 1 11 17 18 f 106.8212 11.94927 119.1340   25.52872 119.1340   25.52872 ?          ?        106.8212 11.94927 ?        ?        ?         ?        
1 1 1 11 18 0  o 277.1887 6.968336 770.4002   38.57674 770.4002   38.57674 770.4002   38.57674 277.1887 6.968336 277.1887 6.968336 -0.000000 0.000000 
1 1 1 11 18 1  o 472.3044 7.326971 2234.614   69.21120 2234.614   69.21120 ?          ?        472.3044 7.326971 ?        ?        ?         ?        
1 1 1 11 18 2  f 261.5830 4.662787 684.7371   24.39412 684.7371   24.39412 ?          ?        261.5830 4.662787 ?        ?        ?         ?        
1 1 1 11 18 3  o 201.8985 4.355270 407.8922   17.58645 407.8922   17.58645 ?          ?        201.8985 4.355270 ?        ?        ?         ?        
1 1 1 11 18 4  o 128.2170 4.203339 164.5184   10.77879 164.5184   10.77879 ?          ?        128.2170 4.203339 ?        ?        ?         ?        
1 1 1 11 18 5  o 155.6009 4.192782 242.2392   13.04801 242.2392   13.04801 ?          ?        155.6009 4.192782 ?        ?        ?         ?        
1 1 1 11 18 6  o 528.2549 10.73923 2798.515   113.4610 2798.515   113.4610 ?          ?        528.2549 10.73923 ?        ?        ?         ?        
1 1 1 11 18 7  o 294.1035 7.040593 865.7074   41.41326 865.7074   41.41326 ?          ?        294.1035 7.040593 ?        ?        ?         ?        
1 1 1 11 18 8  o 496.9973 10.72977 2476.286   106.6533 2476.286   106.6533 ?          ?        496.9973 10.72977 ?        ?        ?         ?        
1 1 1 11 18 9  o 439.9300 10.50971 1940.183   92.47070 1940.183   92.47070 ?          ?        439.9300 10.50971 ?        ?        ?         ?        
1 1 1 11 18 10 f 74.04710 11.10904 55.02858   16.45185 55.02858   16.45185 ?          ?        74.04710 11.10904 ?        ?        ?         ?        
1 1 1 11 18 11 o 151.0881 6.758633 228.6239   20.42298 228.6239   20.42298 ?          ?        151.0881 6.758633 ?        ?        ?         ?        
1 1 1 11 18 12 o 178.9073 6.183341 320.5273   22.12490 320.5273   22.12490 ?          ?        178.9073 6.183341 ?        ?        ?         ?        
1 1 1 11 18 13 o 238.1033 7.147799 568.4396   34.03830 568.4396   34.03830 ?          ?        238.1033 7.147799 ?        ?        ?         ?        
1 1 1 11 18 14 o 518.7625 16.84103 2744.621   174.7299 2744.621   174.7299 ?          ?        518.7625 16.84103 ?        ?        ?         ?        
1 1 1 11 18 15 o 86.78447 14.05442 77.15348   24.39412 77.15348   24.39412 ?          ?        86.78447 14.05442 ?        ?        ?         ?        
1 1 1 11 18 16 o 204.5303 8.875830 423.7768   36.30752 423.7768   36.30752 ?          ?        204.5303 8.875830 ?        ?        ?         ?        
1 1 1 11 18 17 f 157.3335 9.555236 253.0180   30.06716 253.0180   30.06716 ?          ?        157.3335 9.555236 ?        ?        ?         ?        
1 1 1 11 18 18 o 69.08346 17.91808 54.46128   24.96142 54.46128   24.96142 ?          ?        69.08346 17.91808 ?        ?        ?         ?        
1 1 1 11 19 0  o 94.77457 6.958619 91.33610   13.04801 91.33610   13.04801 91.33610   13.04801 94.77457 6.958619 94.77457 6.958619 -0.000000 0.000000 
1 1 1 11 19 1  o 96.99920 5.263698 94.17262   10.21149 94.17262   10.21149 ?          ?        96.99920 5.263698 ?        ?        ?         ?        
1 1 1 11 19 2  o 78.94756 6.107969 62.40355   9.644185 62.40355   9.644185 ?          ?        78.94756 6.107969 ?        ?        ?         ?        
1 1 1 11 19 3  o 155.5901 4.193072 242.2392   13.04801 242.2392   13.04801 ?          ?        155.5901 4.193072 ?        ?        ?         ?        
1 1 1 11 19 4  o 681.1420 11.78516 4666.083   160.5473 4666.083   160.5473 ?          ?        681.1420 11.78516 ?        ?        ?         ?        
1 1 1 11 19 5  o 222.6958 5.731747 496.3919   25.52872 496.3919   25.52872 ?          ?        222.6958 5.731747 ?        ?        ?         ?        
1 1 1 11 19 6  o 673.0806 14.41271 4550.353   194.0183 4550.353   194.0183 ?          ?        673.0806 14.41271 ?        ?        ?         ?        
1 1 1 11 19 7  o 185.2193 5.206899 343.2195   19.28837 343.2195   19.28837 ?          ?        185.2193 5.206899 ?        ?        ?         ?        
1 1 1 11 19 8  f 500.3407 11.67852 2510.892   116.8648 2510.892   116.8648 ?          ?        500.3407 11.67852 ?        ?        ?         ?        
1 1 1 11 19 9  o 226.2072 6.896725 512.2764   31.20177 512.2764   31.20177 ?          ?        226.2072 6.896725 ?        ?        ?         ?        
1 1 1 11 19 10 o 332.6459 7.674445 1108.514   51.05745 1108.514   51.05745 ?          ?        332.6459 7.674445 ?        ?        ?         ?        
1 1 1 11 19 11 o 395.9313 10.45971 1573.704   82.82652 1573.704   82.82652 ?          ?        395.9313 10.45971 ?        ?        ?         ?        
1 1 1 11 19 12 o 411.9232 11.77515 1705.886   97.00916 1705.886   97.00916 ?          ?        411.9232 11.77515 ?        ?        ?         ?        
1 1 1 11 19 13 o 441.5281 11.69229 1964.010   103.2495 1964.010   103.2495 ?          ?        441.5281 11.69229 ?        ?        ?         ?        
1 1 1 11 19 14 o 225.6710 8.798507 512.2764   39.71135 512.2764   39.71135 ?          ?        225.6710 8.798507 ?        ?        ?         ?        
1 1 1 11 19 15 o 79.54377 16.25216 67.50929   24.96142 67.50929   24.96142 ?          ?        79.54377 16.25216 ?        ?        ?         ?        
1 1 1 11 19 16 o 255.8458 9.202087 663.7468   47.08631 663.7468   47.08631 ?          ?        255.8458 9.202087 ?        ?        ?         ?        
1 1 1 11 19 17 o 88.94091 14.35151 83.39383   25.52872 83.39383   25.52872 ?          ?        88.94091 14.35151 ?        ?        ?         ?        
1 1 1 11 19 18 o 201.5753 9.287378 417.5364   37.44213 417.5364   37.44213 ?          ?        201.5753 9.287378 ?        ?        ?         ?        
1 1 1 11 20 0  o 391.9558 9.056808 1540.800   70.91312 1540.800   70.91312 1540.800   70.91312 391.9558 9.056808 391.9558 9.056808 -0.000000 0.000000 
1 1 1 11 20 1  o 271.7878 4.592079 739.1984   24.96142 739.1984   24.96142 ?          ?        271.7878 4.592079 ?        ?        ?         ?        
1 1 1 11 20 2  o 187.6329 4.384051 352.2964   16.45185 352.2964   16.45185 ?          ?        187.6329 4.384051 ?        ?        ?         ?        
1 1 1 11 20 3  o 355.3597 5.747128 1264.523   40.84595 1264.523   40.84595 ?          ?        355.3597 5.747128 ?        ?        ?         ?        
1 1 1 11 20 4  o 147.9352 4.218303 218.9797   12.48071 218.9797   12.48071 ?          ?        147.9352 4.218303 ?        ?        ?         ?        
1 1 1 11 20 5  f 314.3959 7.217714 989.9472   45.38440 989.9472   45.38440 ?          ?        314.3959 7.217714 ?        ?        ?         ?        
1 1 1 11 20 6  o 441.2981 9.705804 1950.962   85.66305 1950.962   85.66305 ?          ?        441.2981 9.705804 ?        ?        ?         ?        
1 1 1 11 20 7  o 376.2736 11.00616 1418.830   82.82652 1418.830   82.82652 ?          ?        376.2736 11.00616 ?        ?        ?         ?        
1 1 1 11 20 8  o 587.2753 13.66883 3462.262   160.5473 3462.262   160.5473 ?          ?        587.2753 13.66883 ?        ?        ?         ?        
1 1 1 11 20 9  o 225.2063 6.675471 507.7379   30.06716 507.7379   30.06716 ?          ?        225.2063 6.675471 ?        ?        ?         ?        
1 1 1 11 20 10 o 439.6212 10.45257 1939.048   91.90340 1939.048   91.90340 ?          ?        439.6212 10.45257 ?        ?        ?         ?        
1 1 1 11 20 11 o 94.55060 8.400021 89.63419   15.88454 89.63419   15.88454 ?          ?        94.55060 8.400021 ?        ?        ?         ?        
1 1 1 11 20 12 o 319.3049 8.794602 1022.851   56.16319 1022.851   56.16319 ?          ?        319.3049 8.794602 ?        ?        ?         ?        
1 1 1 11 20 13 o 244.8971 6.949509 601.3433   34.03830 601.3433   34.03830 ?          ?        244.8971 6.949509 ?        ?        ?         ?        
1 1 1 11 20 14 o 120.8469 10.79714 147.4993   26.09603 147.4993   26.09603 ?          ?        120.8469 10.79714 ?        ?        ?         ?        
1 1 1 11 20 15 o 120.1831 10.38475 146.3647   24.96142 146.3647   24.96142 ?          ?        120.1831 10.38475 ?        ?        ?         ?        
1 1 1 11 20 16 o 197.7948 9.034669 396.5462   35.74022 396.5462   35.74022 ?          ?        197.7948 9.034669 ?        ?        ?         ?        
1 1 1 11 20 17 o 114.3903 12.39845 136.1532   28.36525 136.1532   28.36525 ?          ?        114.3903 12.39845 ?        ?        ?         ?        
1 1 1 11 20 18 f 84.97984 15.23915 79.42269   24.96142 79.42269   24.96142 ?          ?        84.97984 15.23915 ?        ?        ?         ?        
1 1 1 11 21 0  o 38.47754 17.32355 21.55759   14.18262 21.55759   14.18262 21.55759   14.18262 38.47754 17.32355 38.47754 17.32355 -0.000000 0.000000 
1 1 1 11 21 1  f 192.8551 4.118257 372.1520   15.88454 372.1520   15.88454 ?          ?        192.8551 4.118257 ?        ?        ?         ?        
1 1 1 11 21 2  o 159.7161 4.439949 255.2872   14.18262 255.2872   14.18262 ?          ?        159.7161 4.439949 ?        ?        ?         ?        
1 1 1 11 21 3  o 316.2677 6.188436 1001.861   39.14404 1001.861   39.14404 ?          ?        316.2677 6.188436 ?        ?        ?         ?        
1 1 1 11 21 4  o 233.6703 4.370042 546.3147   20.42298 546.3147   20.42298 ?          ?        233.6703 4.370042 ?        ?        ?         ?        
1 1 1 11 21 5  f 274.6211 6.713763 755.0829   36.87482 755.0829   36.87482 ?          ?        274.6211 6.713763 ?        ?        ?         ?        
1 1 1 11 21 6  f 103.4998 7.125582 107.2206   14.74993 107.2206   14.74993 ?          ?        103.4998 7.125582 ?        ?        ?         ?        
1 1 1 11 21 7  o 140.8759 5.033730 198.5567   14.18262 198.5567   14.18262 ?          ?        140.8759 5.033730 ?        ?        ?         ?        
1 1 1 11 21 8  o 514.7121 11.90354 2656.689   122.5379 2656.689   122.5379 ?          ?        514.7121 11.90354 ?        ?        ?         ?        
1 1 1 11 21 9  o 284.7016 7.870889 811.8134   44.81709 811.8134   44.81709 ?          ?        284.7016 7.870889 ?        ?        ?         ?        
1 1 1 11 21 10 o 299.5062 7.671246 898.6110   45.95170 898.6110   45.95170 ?          ?        299.5062 7.671246 ?        ?        ?         ?        
1 1 1 11 21 11 o 694.3597 19.40420 4890.169   269.4698 4890.169   269.4698 ?          ?        694.3597 19.40420 ?        ?        ?         ?        
1 1 1 11 21 12 o 742.9559 20.84569 5629.367   309.7485 5629.367   309.7485 ?          ?        742.9559 20.84569 ?        ?        ?         ?        
1 1 1 11 21 13 o 374.7204 10.14341 1412.589   76.01886 1412.589   76.01886 ?          ?        374.7204 10.14341 ?        ?        ?         ?        
1 1 1 11 21 14 o 448.3045 10.94611 2031.519   98.14376 2031.519   98.14376 ?          ?        448.3045 10.94611 ?        ?        ?         ?        
1 1 1 11 21 15 o 313.0594 10.14794 993.3511   63.53815 993.3511   63.53815 ?          ?        313.0594 10.14794 ?        ?        ?         ?        
1 1 1 11 21 16 o 239.2162 9.130335 580.3530   43.68248 580.3530   43.68248 ?          ?        239.2162 9.130335 ?        ?        ?         ?        
1 1 1 11 21 17 o 403.3914 12.44610 1690.001   100.4130 1690.001   100.4130 ?          ?        403.3914 12.44610 ?        ?        ?         ?        
1 1 1 11 21 18 o 185.3502 9.488230 353.4310   35.17290 353.4310   35.17290 ?          ?        185.3502 9.488230 ?        ?        ?         ?        
1 1 1 11 22 0  o 457.7021 9.988266 2101.865   91.33610 2101.865   91.33610 2101.865   91.33610 457.7021 9.988266 457.7021 9.988266 -0.000000 0.000000 
1 1 1 11 22 1  o 509.5013 7.849834 2602.228   79.99000 2602.228   79.99000 ?          ?        509.5013 7.849834 ?        ?        ?         ?        
1 1 1 11 22 2  o 483.7635 7.446586 2345.806   72.04772 2345.806   72.04772 ?          ?        483.7635 7.446586 ?        ?        ?         ?        
1 1 1 11 22 3  o 196.7751 4.468670 387.4693   17.58645 387.4693   17.58645 ?          ?        196.7751 4.468670 ?        ?        ?         ?        
1 1 1 11 22 4  o 287.8743 7.291477 829.9672   41.98057 829.9672   41.98057 ?          ?        287.8743 7.291477 ?        ?        ?         ?        
1 1 1 11 22 5  o 145.0371 4.889307 210.4701   14.18262 210.4701   14.18262 ?          ?        145.0371 4.889307 ?        ?        ?         ?        
1 1 1 11 22 6  o 336.6419 8.257423 1134.610   55.59589 1134.610   55.59589 ?          ?        336.6419 8.257423 ?        ?        ?         ?        
1 1 1 11 22 7  o 193.1524 5.139899 373.2867   19.85567 373.2867   19.85567 ?          ?        193.1524 5.139899 ?        ?        ?         ?        
1 1 1 11 22 8  o 410.9329 8.490257 1691.136   69.77851 1691.136   69.77851 ?          ?        410.9329 8.490257 ?        ?        ?         ?        
1 1 1 11 22 9  o 552.0761 12.99895 3061.177   143.5282 3061.177   143.5282 ?          ?        552.0761 12.99895 ?        ?        ?         ?        
1 1 1 11 22 10 o 500.1969 15.76487 2520.536   157.7108 2520.536   157.7108 ?          ?        500.1969 15.76487 ?        ?        ?         ?        
1 1 1 11 22 11 o 344.0505 9.151397 1187.369   62.97085 1187.369   62.97085 ?          ?        344.0505 9.151397 ?        ?        ?         ?        
1 1 1 11 22 12 o 373.2790 9.270706 1398.974   69.21120 1398.974   69.21120 ?          ?        373.2790 9.270706 ?        ?        ?         ?        
1 1 1 11 22 13 f 219.9391 6.448431 485.0457   28.36525 485.0457   28.36525 ?          ?        219.9391 6.448431 ?        ?        ?         ?        
1 1 1 11 22 14 o 160.0826 5.670121 256.9891   18.15376 256.9891   18.15376 ?          ?        160.0826 5.670121 ?        ?        ?         ?        
1 1 1 11 22 15 o 184.7316 7.984519 344.3541   29.49986 344.3541   29.49986 ?          ?        184.7316 7.984519 ?        ?        ?         ?        
1 1 1 11 22 16 o 111.0010 12.26594 126.5090   27.23064 126.5090   27.23064 ?          ?        111.0010 12.26594 ?        ?        ?         ?        
1 1 1 11 22 17 o 308.3362 10.48738 976.8991   64.67276 976.8991   64.67276 ?          ?        308.3362 10.48738 ?        ?        ?         ?        
1 1 1 11 22 18 o 45.55886 17.90416 16.45185   23.82681 16.45185   23.82681 ?          ?        45.55886 17.90416 ?        ?        ?         ?        
1 1 1 11 23 0  f 566.4302 12.13107 3222.859   137.2878 3222.859   137.2878 3222.859   137.2878 566.4302 12.13107 566.4302 12.13107 -0.000000 0.000000 
1 1 1 11 23 1  o 235.7797 5.052768 556.5261   23.82681 556.5261   23.82681 ?          ?        235.7797 5.052768 ?        ?        ?         ?        
1 1 1 11 23 2  o 101.7652 8.083234 103.8168   16.45185 103.8168   16.45185 ?          ?        101.7652 8.083234 ?        ?        ?         ?        
1 1 1 11 23 3  o 351.2558 5.895029 1235.023   41.41326 1235.023   41.41326 ?          ?        351.2558 5.895029 ?        ?        ?         ?        
1 1 1 11 23 4  o 540.5560 11.70175 2933.534   126.5090 2933.534   126.5090 ?          ?        540.5560 11.70175 ?        ?        ?         ?        
1 1 1 11 23 5  o 443.4449 9.211055 1969.683   81.69191 1969.683   81.69191 ?          ?        443.4449 9.211055 ?        ?        ?         ?        
1 1 1 11 23 6  o 409.8723 9.688713 1682.627   79.42269 1682.627   79.42269 ?          ?        409.8723 9.688713 ?        ?        ?         ?        
1 1 1 11 23 7  o 592.8271 16.89014 3536.579   200.2587 3536.579   200.2587 ?          ?        592.8271 16.89014 ?        ?        ?         ?        
1 1 1 11 23 8  o 271.3983 7.525095 737.4965   40.84595 737.4965   40.84595 ?          ?        271.3983 7.525095 ?        ?        ?         ?        
1 1 1 11 23 9  o 262.7700 7.448348 691.5447   39.14404 691.5447   39.14404 ?          ?        262.7700 7.448348 ?        ?        ?         ?        
1 1 1 11 23 10 f 241.5329 9.160198 584.8914   44.24979 584.8914   44.24979 ?          ?        241.5329 9.160198 ?        ?        ?         ?        
1 1 1 11 23 11 o 500.4257 11.95995 2517.132   119.7014 2517.132   119.7014 ?          ?        500.4257 11.95995 ?        ?        ?         ?        
1 1 1 11 23 12 o 344.1579 8.159510 1187.937   56.16319 1187.937   56.16319 ?          ?        344.1579 8.159510 ?        ?        ?         ?        
1 1 1 11 23 13 o 256.9370 7.286247 662.6122   37.44213 662.6122   37.44213 ?          ?        256.9370 7.286247 ?        ?        ?         ?        
1 1 1 11 23 14 o 127.6395 5.555735 163.3838   14.18262 163.3838   14.18262 ?          ?        127.6395 5.555735 ?        ?        ?         ?        
1 1 1 11 23 15 f 250.0682 8.507255 631.9777   42.54787 631.9777   42.54787 ?          ?        250.0682 8.507255 ?        ?        ?         ?        
1 1 1 11 23 16 o 185.8507 9.310053 351.1618   34.60560 351.1618   34.60560 ?          ?        185.8507 9.310053 ?        ?        ?         ?        
1 1 1 11 23 17 o 153.1142 9.818544 240.5373   30.06716 240.5373   30.06716 ?          ?        153.1142 9.818544 ?        ?        ?         ?        
1 1 1 11 23 18 o 180.7926 10.19810 338.6811   36.87482 338.6811   36.87482 ?          ?        180.7926 10.19810 ?        ?        ?         ?        
1 1 1 11 24 0  o 157.1746 7.617897 249.0469   23.82681 249.0469   23.82681 249.0469   23.82681 157.1746 7.617897 157.1746 7.617897 -0.000000 0.000000 
1 1 1 11 24 1  o 174.7754 5.355748 305.7773   18.72106 305.7773   18.72106 ?          ?        174.7754 5.355748 ?        ?        ?         ?        
1 1 1 11 24 2  o 274.0361 5.693004 751.6791   31.20177 751.6791   31.20177 ?          ?        274.0361 5.693004 ?        ?        ?         ?        
1 1 1 11 24 3  o 211.8726 5.622909 449.3055   23.82681 449.3055   23.82681 ?          ?        211.8726 5.622909 ?        ?        ?         ?        
1 1 1 11 24 4  o 366.1676 8.908498 1343.378   65.24007 1343.378   65.24007 ?          ?        366.1676 8.908498 ?        ?        ?         ?        
1 1 1 11 24 5  o 480.7856 11.26856 2316.873   108.3553 2316.873   108.3553 ?          ?        480.7856 11.26856 ?        ?        ?         ?        
1 1 1 11 24 6  o 393.3017 10.38540 1549.877   81.69191 1549.877   81.69191 ?          ?        393.3017 10.38540 ?        ?        ?         ?        
1 1 1 11 24 7  f 266.4719 7.131977 710.8331   38.00943 710.8331   38.00943 ?          ?        266.4719 7.131977 ?        ?        ?         ?        
1 1 1 11 24 8  o 116.8534 7.282267 136.7205   17.01915 136.7205   17.01915 ?          ?        116.8534 7.282267 ?        ?        ?         ?        
1 1 1 11 24 9  o 307.5081 7.932835 947.3992   48.78823 947.3992   48.78823 ?          ?        307.5081 7.932835 ?        ?        ?         ?        
1 1 1 11 24 10 o 233.3434 6.199565 545.1801   28.93255 545.1801   28.93255 ?          ?        233.3434 6.199565 ?        ?        ?         ?        
1 1 1 11 24 11 o 251.4308 6.430475 633.1123   32.33638 633.1123   32.33638 ?          ?        251.4308 6.430475 ?        ?        ?         ?        
1 1 1 11 24 12 o 83.72683 8.808365 70.34581   14.74993 70.34581   14.74993 ?          ?        83.72683 8.808365 ?        ?        ?         ?        
1 1 1 11 24 13 f 143.8447 7.098966 207.6336   20.42298 207.6336   20.42298 ?          ?        143.8447 7.098966 ?        ?        ?         ?        
1 1 1 11 24 14 o 286.5128 8.316142 827.1306   47.65361 827.1306   47.65361 ?          ?        286.5128 8.316142 ?        ?        ?         ?        
1 1 1 11 24 15 o 249.2465 8.193889 627.4393   40.84595 627.4393   40.84595 ?          ?        249.2465 8.193889 ?        ?        ?         ?        
1 1 1 11 24 16 o 56.83757 17.90782 34.60560   22.69220 34.60560   22.69220 ?          ?        56.83757 17.90782 ?        ?        ?         ?        
1 1 1 11 24 17 o 157.4025 10.45209 255.2872   32.90369 255.2872   32.90369 ?          ?        157.4025 10.45209 ?        ?        ?         ?        
1 1 1 11 24 18 o 159.8146 10.29433 264.9314   32.90369 264.9314   32.90369 ?          ?        159.8146 10.29433 ?        ?        ?         ?        
1 1 1 11 25 0  o 213.8672 6.512178 458.9497   27.79794 458.9497   27.79794 458.9497   27.79794 213.8672 6.512178 213.8672 6.512178 -0.000000 0.000000 
1 1 1 11 25 1  o 211.6261 4.959285 448.1709   20.99029 448.1709   20.99029 ?          ?        211.6261 4.959285 ?        ?        ?         ?        
1 1 1 11 25 2  o 184.8926 4.909271 342.0849   18.15376 342.0849   18.15376 ?          ?        184.8926 4.909271 ?        ?        ?         ?        
1 1 1 11 25 3  o 131.2702 5.402072 172.4607   14.18262 172.4607   14.18262 ?          ?        131.2702 5.402072 ?        ?        ?         ?        
1 1 1 11 25 4  o 229.2382 6.063114 525.8917   27.79794 525.8917   27.79794 ?          ?        229.2382 6.063114 ?        ?        ?         ?        
1 1 1 11 25 5  o 224.9955 6.555655 506.6033   29.49986 506.6033   29.49986 ?          ?        224.9955 6.555655 ?        ?        ?         ?        
1 1 1 11 25 6  o 565.3968 13.24455 3208.109   149.7685 3208.109   149.7685 ?          ?        565.3968 13.24455 ?        ?        ?         ?        
1 1 1 11 25 7  o 534.6781 12.57310 2867.727   134.4513 2867.727   134.4513 ?          ?        534.6781 12.57310 ?        ?        ?         ?        
1 1 1 11 25 8  o 887.0396 22.38420 7966.664   397.1135 7966.664   397.1135 ?          ?        887.0396 22.38420 ?        ?        ?         ?        
1 1 1 11 25 9  o 354.2846 8.166471 1257.715   57.86510 1257.715   57.86510 ?          ?        354.2846 8.166471 ?        ?        ?         ?        
1 1 1 11 25 10 o 297.8770 7.237076 888.9669   43.11518 888.9669   43.11518 ?          ?        297.8770 7.237076 ?        ?        ?         ?        
1 1 1 11 25 11 o 426.3184 9.714163 1823.885   82.82652 1823.885   82.82652 ?          ?        426.3184 9.714163 ?        ?        ?         ?        
1 1 1 11 25 12 o 499.7195 11.97686 2515.430   119.7014 2515.430   119.7014 ?          ?        499.7195 11.97686 ?        ?        ?         ?        
1 1 1 11 25 13 o 154.3124 6.617412 238.8354   20.42298 238.8354   20.42298 ?          ?        154.3124 6.617412 ?        ?        ?         ?        
1 1 1 11 25 14 o 184.3484 6.308572 341.5176   23.25950 341.5176   23.25950 ?          ?        184.3484 6.308572 ?        ?        ?         ?        
1 1 1 11 25 15 o 276.5171 9.027080 774.3713   49.92284 774.3713   49.92284 ?          ?        276.5171 9.027080 ?        ?        ?         ?        
1 1 1 11 25 16 o 232.9611 8.401412 551.4204   39.14404 551.4204   39.14404 ?          ?        232.9611 8.401412 ?        ?        ?         ?        
1 1 1 11 25 17 o 77.20126 15.23926 65.24007   22.69220 65.24007   22.69220 ?          ?        77.20126 15.23926 ?        ?        ?         ?        
1 1 1 11 25 18 o 184.5079 8.762872 349.4599   32.33638 349.4599   32.33638 ?          ?        184.5079 8.762872 ?        ?        ?         ?        
1 1 1 11 26 0  o 237.5805 7.778797 566.7377   36.87482 566.7377   36.87482 566.7377   36.87482 237.5805 7.778797 237.5805 7.778797 -0.000000 0.000000 
1 1 1 11 26 1  o 258.1674 5.823191 667.1506   30.06716 667.1506   30.06716 ?          ?        258.1674 5.823191 ?        ?        ?         ?        
1 1 1 11 26 2  o 305.3048 6.410650 933.2167   39.14404 933.2167   39.14404 ?          ?        305.3048 6.410650 ?        ?        ?         ?        
1 1 1 11 26 3  o 258.3057 5.710260 667.7179   29.49986 667.7179   29.49986 ?          ?        258.3057 5.710260 ?        ?        ?         ?        
1 1 1 11 26 4  o 469.7869 9.660636 2210.788   90.76879 2210.788   90.76879 ?          ?        469.7869 9.660636 ?        ?        ?         ?        
1 1 1 11 26 5  o 68.98344 9.046163 47.65361   12.48071 47.65361   12.48071 ?          ?        68.98344 9.046163 ?        ?        ?         ?        
1 1 1 11 26 6  o 729.4821 18.66436 5362.167   272.3064 5362.167   272.3064 ?          ?        729.4821 18.66436 ?        ?        ?         ?        
1 1 1 11 26 7  o 395.3806 8.824220 1565.762   69.77851 1565.762   69.77851 ?          ?        395.3806 8.824220 ?        ?        ?         ?        
1 1 1 11 26 8  o 1144.901 28.88800 13386.13   661.4776 13386.13   661.4776 ?          ?        1144.901 28.88800 ?        ?        ?         ?        
1 1 1 11 26 9  o 187.8568 7.096717 353.4310   26.66333 353.4310   26.66333 ?          ?        187.8568 7.096717 ?        ?        ?         ?        
1 1 1 11 26 10 o 548.3450 12.98394 3026.005   142.3935 3026.005   142.3935 ?          ?        548.3450 12.98394 ?        ?        ?         ?        
1 1 1 11 26 11 o 161.2490 5.980927 260.3930   19.28837 260.3930   19.28837 ?          ?        161.2490 5.980927 ?        ?        ?         ?        
1 1 1 11 26 12 o 65.59857 12.55512 44.81709   15.88454 44.81709   15.88454 ?          ?        65.59857 12.55512 ?        ?        ?         ?        
1 1 1 11 26 13 f 307.0303 10.53198 950.2358   64.67276 950.2358   64.67276 ?          ?        307.0303 10.53198 ?        ?        ?         ?        
1 1 1 11 26 14 o 104.5075 7.871131 110.0572   16.45185 110.0572   16.45185 ?          ?        104.5075 7.871131 ?        ?        ?         ?        
1 1 1 11 26 15 o 240.5719 6.838638 583.1895   32.90369 583.1895   32.90369 ?          ?        240.5719 6.838638 ?        ?        ?         ?        
1 1 1 11 26 16 o 62.92401 17.72729 43.68248   23.25950 43.68248   23.25950 ?          ?        62.92401 17.72729 ?        ?        ?         ?        
1 1 1 11 26 17 o 40.95031 16.41325 10.77879   20.42298 10.77879   20.42298 ?          ?        40.95031 16.41325 ?        ?        ?         ?        
1 1 1 11 27 0  o 299.3568 14.28256 904.8514   85.09574 904.8514   85.09574 904.8514   85.09574 299.3568 14.28256 299.3568 14.28256 -0.000000 0.000000 
1 1 1 11 27 1  o 602.6754 12.18998 3647.204   146.9320 3647.204   146.9320 ?          ?        602.6754 12.18998 ?        ?        ?         ?        
1 1 1 11 27 2  o 439.7390 9.546701 1937.914   83.96114 1937.914   83.96114 ?          ?        439.7390 9.546701 ?        ?        ?         ?        
1 1 1 11 27 3  o 355.9614 7.570200 1268.494   53.89397 1268.494   53.89397 ?          ?        355.9614 7.570200 ?        ?        ?         ?        
1 1 1 11 27 4  o 1024.595 23.58706 10598.96   483.3438 10598.96   483.3438 ?          ?        1024.595 23.58706 ?        ?        ?         ?        
1 1 1 11 27 5  o 138.0233 5.548785 190.6145   15.31723 190.6145   15.31723 ?          ?        138.0233 5.548785 ?        ?        ?         ?        
1 1 1 11 27 6  f 328.2213 7.086530 1078.447   46.51900 1078.447   46.51900 ?          ?        328.2213 7.086530 ?        ?        ?         ?        
1 1 1 11 27 7  o 770.3066 16.82826 5972.019   259.2584 5972.019   259.2584 ?          ?        770.3066 16.82826 ?        ?        ?         ?        
1 1 1 11 27 8  o 106.1921 6.410705 112.8937   13.61532 112.8937   13.61532 ?          ?        106.1921 6.410705 ?        ?        ?         ?        
1 1 1 11 27 9  o 436.6873 9.743327 1912.385   85.09574 1912.385   85.09574 ?          ?        436.6873 9.743327 ?        ?        ?         ?        
1 1 1 11 27 10 o 271.8499 6.886544 740.3330   37.44213 740.3330   37.44213 ?          ?        271.8499 6.886544 ?        ?        ?         ?        
1 1 1 11 27 11 o 501.6224 11.42250 2531.315   114.5956 2531.315   114.5956 ?          ?        501.6224 11.42250 ?        ?        ?         ?        
1 1 1 11 27 12 o 420.7627 9.640187 1779.636   81.12460 1779.636   81.12460 ?          ?        420.7627 9.640187 ?        ?        ?         ?        
1 1 1 11 27 13 o 256.4466 6.968356 660.3430   35.74022 660.3430   35.74022 ?          ?        256.4466 6.968356 ?        ?        ?         ?        
1 1 1 11 27 14 f 114.1860 6.458728 131.0475   14.74993 131.0475   14.74993 ?          ?        114.1860 6.458728 ?        ?        ?         ?        
1 1 1 11 27 15 o 376.6845 11.82248 1451.733   89.06688 1451.733   89.06688 ?          ?        376.6845 11.82248 ?        ?        ?         ?        
1 1 1 11 27 16 o 185.1579 8.578915 348.8925   31.76908 348.8925   31.76908 ?          ?        185.1579 8.578915 ?        ?        ?         ?        
1 1 1 11 27 17 f 60.24329 17.68658 40.84595   22.69220 40.84595   22.69220 ?          ?        60.24329 17.68658 ?        ?        ?         ?        
1 1 1 11 28 0  o 838.6721 27.66450 7119.110   462.9208 7119.110   462.9208 7119.110   462.9208 838.6721 27.66450 838.6721 27.66450 -0.000000 0.000000 
1 1 1 11 28 1  o 212.2989 5.478009 451.0074   23.25950 451.0074   23.25950 ?          ?        212.2989 5.478009 ?        ?        ?         ?        
1 1 1 11 28 2  o 648.3073 13.91338 4219.047   180.4030 4219.047   180.4030 ?          ?        648.3073 13.91338 ?        ?        ?         ?        
1 1 1 11 28 3  o 391.3287 8.625649 1533.425   67.50929 1533.425   67.50929 ?          ?        391.3287 8.625649 ?        ?        ?         ?        
1 1 1 11 28 4  o 649.8085 15.10349 4238.903   196.2875 4238.903   196.2875 ?          ?        649.8085 15.10349 ?        ?        ?         ?        
1 1 1 11 28 5  o 351.8054 9.675321 1240.129   68.07660 1240.129   68.07660 ?          ?        351.8054 9.675321 ?        ?        ?         ?        
1 1 1 11 28 6  o 673.2587 15.71496 4554.892   211.6048 4554.892   211.6048 ?          ?        673.2587 15.71496 ?        ?        ?         ?        
1 1 1 11 28 7  o 271.7143 7.098769 739.1984   38.57674 739.1984   38.57674 ?          ?        271.7143 7.098769 ?        ?        ?         ?        
1 1 1 11 28 8  o 358.9106 9.641845 1291.753   69.21120 1291.753   69.21120 ?          ?        358.9106 9.641845 ?        ?        ?         ?        
1 1 1 11 28 9  o 380.1049 9.477348 1448.897   72.04772 1448.897   72.04772 ?          ?        380.1049 9.477348 ?        ?        ?         ?        
1 1 1 11 28 10 o 446.6095 10.16199 2002.019   90.76879 2002.019   90.76879 ?          ?        446.6095 10.16199 ?        ?        ?         ?        
1 1 1 11 28 11 o 478.4366 10.90888 2301.556   104.3841 2301.556   104.3841 ?          ?        478.4366 10.90888 ?        ?        ?         ?        
1 1 1 11 28 12 o 95.65663 8.302896 91.90340   15.88454 91.90340   15.88454 ?          ?        95.65663 8.302896 ?        ?        ?         ?        
1 1 1 11 28 13 o 447.6509 11.02545 2025.846   98.71106 2025.846   98.71106 ?          ?        447.6509 11.02545 ?        ?        ?         ?        
1 1 1 11 28 14 o 162.3799 6.113957 264.9314   19.85567 264.9314   19.85567 ?          ?        162.3799 6.113957 ?        ?        ?         ?        
1 1 1 11 28 15 o 77.16441 7.719495 60.13433   11.91340 60.13433   11.91340 ?          ?        77.16441 7.719495 ?        ?        ?         ?        
1 1 1 11 28 16 o 91.11320 14.00934 87.36497   25.52872 87.36497   25.52872 ?          ?        91.11320 14.00934 ?        ?        ?         ?        
1 1 1 11 28 17 o 53.73912 17.95890 31.20177   22.69220 31.20177   22.69220 ?          ?        53.73912 17.95890 ?        ?        ?         ?        
1 1 1 11 29 0  o 273.0008 8.956710 748.2752   48.78823 748.2752   48.78823 748.2752   48.78823 273.0008 8.956710 273.0008 8.956710 -0.000000 0.000000 
1 1 1 11 29 1  o 152.4686 5.395159 232.5950   16.45185 232.5950   16.45185 ?          ?        152.4686 5.395159 ?        ?        ?         ?        
1 1 1 11 29 2  o 862.9764 18.43956 7492.964   318.2581 7492.964   318.2581 ?          ?        862.9764 18.43956 ?        ?        ?         ?        
1 1 1 11 29 3  o 381.7034 9.289035 1459.108   70.91312 1459.108   70.91312 ?          ?        381.7034 9.289035 ?        ?        ?         ?        
1 1 1 11 29 4  o 154.4960 5.691556 238.8354   17.58645 238.8354   17.58645 ?          ?        154.4960 5.691556 ?        ?        ?         ?        
1 1 1 11 29 5  o 294.0462 7.524292 865.7074   44.24979 865.7074   44.24979 ?          ?        294.0462 7.524292 ?        ?        ?         ?        
1 1 1 11 29 6  o 100.4451 6.495098 100.9803   13.04801 100.9803   13.04801 ?          ?        100.4451 6.495098 ?        ?        ?         ?        
1 1 1 11 29 7  o 483.2994 12.67722 2345.239   122.5379 2345.239   122.5379 ?          ?        483.2994 12.67722 ?        ?        ?         ?        
1 1 1 11 29 8  o 264.9385 6.745002 702.8909   35.74022 702.8909   35.74022 ?          ?        264.9385 6.745002 ?        ?        ?         ?        
1 1 1 11 29 9  o 359.6171 8.991893 1296.859   64.67276 1296.859   64.67276 ?          ?        359.6171 8.991893 ?        ?        ?         ?        
1 1 1 11 29 10 o 629.4916 13.83360 3989.855   174.1626 3989.855   174.1626 ?          ?        629.4916 13.83360 ?        ?        ?         ?        
1 1 1 11 29 11 o 229.9724 6.537123 529.8629   30.06716 529.8629   30.06716 ?          ?        229.9724 6.537123 ?        ?        ?         ?        
1 1 1 11 29 12 o 177.0402 6.248552 314.2870   22.12490 314.2870   22.12490 ?          ?        177.0402 6.248552 ?        ?        ?         ?        
1 1 1 11 29 13 o 141.8562 6.398650 201.9606   18.15376 201.9606   18.15376 ?          ?        141.8562 6.398650 ?        ?        ?         ?        
1 1 1 11 29 14 o 33.33495 13.38455 5.673049   13.61532 5.673049   13.61532 ?          ?        33.33495 13.38455 ?        ?        ?         ?        
1 1 1 11 29 15 o 127.3649 6.458550 163.3838   16.45185 163.3838   16.45185 ?          ?        127.3649 6.458550 ?        ?        ?         ?        
1 1 1 11 29 16 o 97.84900 13.04496 99.84568   25.52872 99.84568   25.52872 ?          ?        97.84900 13.04496 ?        ?        ?         ?        
1 1 1 11 29 17 o 110.8640 11.00182 127.6436   24.39412 127.6436   24.39412 ?          ?        110.8640 11.00182 ?        ?        ?         ?        
1 1 1 11 30 0  o 80.14347 12.31942 67.50929   18.72106 67.50929   18.72106 67.50929   18.72106 80.14347 12.31942 80.14347 12.31942 -0.000000 0.000000 
1 1 1 11 30 1  o 505.5664 10.37959 2560.815   104.9514 2560.815   104.9514 ?          ?        505.5664 10.37959 ?        ?        ?         ?        
1 1 1 11 30 2  o 1176.119 27.13237 14005.63   638.2181 14005.63   638.2181 ?          ?        1176.119 27.13237 ?        ?        ?         ?        
1 1 1 11 30 3  o 234.3655 6.777677 549.7185   31.76908 549.7185   31.76908 ?          ?        234.3655 6.777677 ?        ?        ?         ?        
1 1 1 11 30 4  o 526.2124 12.39805 2778.092   130.4801 2778.092   130.4801 ?          ?        526.2124 12.39805 ?        ?        ?         ?        
1 1 1 11 30 5  o 512.0298 12.07669 2629.458   123.6725 2629.458   123.6725 ?          ?        512.0298 12.07669 ?        ?        ?         ?        
1 1 1 11 30 6  o 594.5373 15.17171 3553.598   180.4030 3553.598   180.4030 ?          ?        594.5373 15.17171 ?        ?        ?         ?        
1 1 1 11 30 7  o 73.70752 9.620880 54.46128   14.18262 54.46128   14.18262 ?          ?        73.70752 9.620880 ?        ?        ?         ?        
1 1 1 11 30 8  o 678.6556 21.19069 4667.218   287.6236 4667.218   287.6236 ?          ?        678.6556 21.19069 ?        ?        ?         ?        
1 1 1 11 30 9  o 354.3329 8.405517 1258.850   59.56702 1258.850   59.56702 ?          ?        354.3329 8.405517 ?        ?        ?         ?        
1 1 1 11 30 10 o 101.4664 8.666150 103.2495   17.58645 103.2495   17.58645 ?          ?        101.4664 8.666150 ?        ?        ?         ?        
1 1 1 11 30 11 o 117.2486 7.499645 137.8551   17.58645 137.8551   17.58645 ?          ?        117.2486 7.499645 ?        ?        ?         ?        
1 1 1 11 30 12 f 249.0674 6.833151 622.3336   34.03830 622.3336   34.03830 ?          ?        249.0674 6.833151 ?        ?        ?         ?        
1 1 1 11 30 13 o 331.5998 9.580549 1110.216   63.53815 1110.216   63.53815 ?          ?        331.5998 9.580549 ?        ?        ?         ?        
1 1 1 11 30 14 o 244.2064 6.620707 600.2086   32.33638 600.2086   32.33638 ?          ?        244.2064 6.620707 ?        ?        ?         ?        
1 1 1 11 30 15 o 67.71605 8.796588 46.51900   11.91340 46.51900   11.91340 ?          ?        67.71605 8.796588 ?        ?        ?         ?        
1 1 1 11 30 16 o 84.86877 5.681822 72.61504   9.644185 72.61504   9.644185 ?          ?        84.86877 5.681822 ?        ?        ?         ?        
1 1 1 11 30 17 o 80.78671 15.30250 72.04772   23.82681 72.04772   23.82681 ?          ?        80.78671 15.30250 ?        ?        ?         ?        
1 1 1 11 31 0  o 183.0699 8.561910 337.5464   31.20177 337.5464   31.20177 337.5464   31.20177 183.0699 8.561910 183.0699 8.561910 -0.000000 0.000000 
1 1 1 11 31 1  o 129.9808 6.110342 169.0569   15.88454 169.0569   15.88454 ?          ?        129.9808 6.110342 ?        ?        ?         ?        
1 1 1 11 31 2  o 310.7875 6.845172 966.6876   42.54787 966.6876   42.54787 ?          ?        310.7875 6.845172 ?        ?        ?         ?        
1 1 1 11 31 3  o 282.0106 6.236096 795.9289   35.17290 795.9289   35.17290 ?          ?        282.0106 6.236096 ?        ?        ?         ?        
1 1 1 11 31 4  o 274.4583 6.407695 753.9482   35.17290 753.9482   35.17290 ?          ?        274.4583 6.407695 ?        ?        ?         ?        
1 1 1 11 31 5  o 204.2736 5.554365 417.5364   22.69220 417.5364   22.69220 ?          ?        204.2736 5.554365 ?        ?        ?         ?        
1 1 1 11 31 6  o 416.7685 11.02572 1742.194   91.90340 1742.194   91.90340 ?          ?        416.7685 11.02572 ?        ?        ?         ?        
1 1 1 11 31 7  o 152.6216 5.761457 233.1623   17.58645 233.1623   17.58645 ?          ?        152.6216 5.761457 ?        ?        ?         ?        
1 1 1 11 31 8  o 707.0424 19.69802 5058.091   278.5467 5058.091   278.5467 ?          ?        707.0424 19.69802 ?        ?        ?         ?        
1 1 1 11 31 9  f 462.9731 10.53803 2152.355   97.57646 2152.355   97.57646 ?          ?        462.9731 10.53803 ?        ?        ?         ?        
1 1 1 11 31 10 f 457.0273 10.36480 2098.461   94.73994 2098.461   94.73994 ?          ?        457.0273 10.36480 ?        ?        ?         ?        
1 1 1 11 31 11 o 207.9442 6.547585 433.4210   27.23064 433.4210   27.23064 ?          ?        207.9442 6.547585 ?        ?        ?         ?        
1 1 1 11 31 12 o 96.19532 8.846142 93.03801   17.01915 93.03801   17.01915 ?          ?        96.19532 8.846142 ?        ?        ?         ?        
1 1 1 11 31 13 o 129.1902 7.025981 167.9223   18.15376 167.9223   18.15376 ?          ?        129.1902 7.025981 ?        ?        ?         ?        
1 1 1 11 31 14 o 55.48306 13.83529 32.90369   15.31723 32.90369   15.31723 ?          ?        55.48306 13.83529 ?        ?        ?         ?        
1 1 1 11 31 15 o 171.5634 6.117356 296.7005   20.99029 296.7005   20.99029 ?          ?        171.5634 6.117356 ?        ?        ?         ?        
1 1 1 11 31 16 o 64.54205 8.789696 42.54787   11.34610 42.54787   11.34610 ?          ?        64.54205 8.789696 ?        ?        ?         ?        
1 1 1 11 31 17 o 102.2977 12.20038 110.0572   24.96142 110.0572   24.96142 ?          ?        102.2977 12.20038 ?        ?        ?         ?        
1 1 1 11 32 0  o 194.0032 8.811637 378.9597   34.03830 378.9597   34.03830 378.9597   34.03830 194.0032 8.811637 194.0032 8.811637 -0.000000 0.000000 
1 1 1 11 32 1  o 367.5533 7.717317 1352.455   56.73050 1352.455   56.73050 ?          ?        367.5533 7.717317 ?        ?        ?         ?        
1 1 1 11 32 2  o 414.2176 8.628366 1718.367   71.48043 1718.367   71.48043 ?          ?        414.2176 8.628366 ?        ?        ?         ?        
1 1 1 11 32 3  o 215.4353 6.978236 464.6228   30.06716 464.6228   30.06716 ?          ?        215.4353 6.978236 ?        ?        ?         ?        
1 1 1 11 32 4  o 272.0508 7.298516 740.9003   39.71135 740.9003   39.71135 ?          ?        272.0508 7.298516 ?        ?        ?         ?        
1 1 1 11 32 5  o 71.76443 10.27663 51.62476   14.74993 51.62476   14.74993 ?          ?        71.76443 10.27663 ?        ?        ?         ?        
1 1 1 11 32 6  o 606.3688 15.53059 3699.395   188.3452 3699.395   188.3452 ?          ?        606.3688 15.53059 ?        ?        ?         ?        
1 1 1 11 32 7  o 98.69077 7.760217 97.57646   15.31723 97.57646   15.31723 ?          ?        98.69077 7.760217 ?        ?        ?         ?        
1 1 1 11 32 8  o 299.5042 8.523661 899.1783   51.05745 899.1783   51.05745 ?          ?        299.5042 8.523661 ?        ?        ?         ?        
1 1 1 11 32 9  o 253.2021 6.833594 642.1892   34.60560 642.1892   34.60560 ?          ?        253.2021 6.833594 ?        ?        ?         ?        
1 1 1 11 32 10 o 139.1243 7.135948 194.0183   19.85567 194.0183   19.85567 ?          ?        139.1243 7.135948 ?        ?        ?         ?        
1 1 1 11 32 11 f 309.7043 8.059757 962.7164   49.92284 962.7164   49.92284 ?          ?        309.7043 8.059757 ?        ?        ?         ?        
1 1 1 11 32 12 o 135.3452 6.496887 183.8068   17.58645 183.8068   17.58645 ?          ?        135.3452 6.496887 ?        ?        ?         ?        
1 1 1 11 32 13 o 77.77644 10.21167 61.26894   15.88454 61.26894   15.88454 ?          ?        77.77644 10.21167 ?        ?        ?         ?        
1 1 1 11 32 14 f 212.6221 6.270124 454.9786   26.66333 454.9786   26.66333 ?          ?        212.6221 6.270124 ?        ?        ?         ?        
1 1 1 11 32 15 o 112.3887 6.814398 127.6436   15.31723 127.6436   15.31723 ?          ?        112.3887 6.814398 ?        ?        ?         ?        
1 1 1 11 32 16 o 71.49593 8.728266 52.19205   12.48071 52.19205   12.48071 ?          ?        71.49593 8.728266 ?        ?        ?         ?        
1 1 1 11 32 17 o 53.58614 18.78974 30.63447   24.96142 30.63447   24.96142 ?          ?        53.58614 18.78974 ?        ?        ?         ?        
1 1 1 11 33 0  o 261.9417 9.994197 689.8428   52.19205 689.8428   52.19205 689.8428   52.19205 261.9417 9.994197 261.9417 9.994197 -0.000000 0.000000 
1 1 1 11 33 1  o 414.4063 8.624439 1720.069   71.48043 1720.069   71.48043 ?          ?        414.4063 8.624439 ?        ?        ?         ?        
1 1 1 11 33 2  o 768.8031 16.45532 5945.923   253.0180 5945.923   253.0180 ?          ?        768.8031 16.45532 ?        ?        ?         ?        
1 1 1 11 33 3  o 255.3239 6.110234 652.4007   31.20177 652.4007   31.20177 ?          ?        255.3239 6.110234 ?        ?        ?         ?        
1 1 1 11 33 4  o 37.74739 14.26924 10.21149   14.74993 10.21149   14.74993 ?          ?        37.74739 14.26924 ?        ?        ?         ?        
1 1 1 11 33 5  o 348.6979 9.436159 1218.571   65.80738 1218.571   65.80738 ?          ?        348.6979 9.436159 ?        ?        ?         ?        
1 1 1 11 33 6  o 334.7458 9.321035 1123.264   62.40355 1123.264   62.40355 ?          ?        334.7458 9.321035 ?        ?        ?         ?        
1 1 1 11 33 7  o 363.3523 9.133655 1323.522   66.37468 1323.522   66.37468 ?          ?        363.3523 9.133655 ?        ?        ?         ?        
1 1 1 11 33 8  o 597.9708 13.32947 3598.983   159.4127 3598.983   159.4127 ?          ?        597.9708 13.32947 ?        ?        ?         ?        
1 1 1 11 33 9  o 291.5205 7.394878 851.5248   43.11518 851.5248   43.11518 ?          ?        291.5205 7.394878 ?        ?        ?         ?        
1 1 1 11 33 10 o 519.6031 13.48379 2721.362   140.1243 2721.362   140.1243 ?          ?        519.6031 13.48379 ?        ?        ?         ?        
1 1 1 11 33 11 o 152.6280 7.062136 233.7296   21.55759 233.7296   21.55759 ?          ?        152.6280 7.062136 ?        ?        ?         ?        
1 1 1 11 33 12 o 104.3452 7.883372 109.4899   16.45185 109.4899   16.45185 ?          ?        104.3452 7.883372 ?        ?        ?         ?        
1 1 1 11 33 13 o 169.1727 6.371474 287.6236   21.55759 287.6236   21.55759 ?          ?        169.1727 6.371474 ?        ?        ?         ?        
1 1 1 11 33 14 o 78.74017 9.726442 62.97085   15.31723 62.97085   15.31723 ?          ?        78.74017 9.726442 ?        ?        ?         ?        
1 1 1 11 33 15 o 36.73403 12.97087 12.48071   11.91340 12.48071   11.91340 ?          ?        36.73403 12.97087 ?        ?        ?         ?        
1 1 1 11 33 16 o 163.1041 6.086809 268.9026   19.85567 268.9026   19.85567 ?          ?        163.1041 6.086809 ?        ?        ?         ?        
1 1 1 11 34 0  o 131.6227 10.02843 176.4319   26.09603 176.4319   26.09603 176.4319   26.09603 131.6227 10.02843 131.6227 10.02843 -0.000000 0.000000 
1 1 1 11 34 1  o 379.4073 8.074297 1441.522   61.26894 1441.522   61.26894 ?          ?        379.4073 8.074297 ?        ?        ?         ?        
1 1 1 11 34 2  o 131.7070 6.030257 173.5953   15.88454 173.5953   15.88454 ?          ?        131.7070 6.030257 ?        ?        ?         ?        
1 1 1 11 34 3  o 331.4872 7.273423 1100.004   48.22092 1100.004   48.22092 ?          ?        331.4872 7.273423 ?        ?        ?         ?        
1 1 1 11 34 4  o 417.9264 9.977096 1750.703   83.39383 1750.703   83.39383 ?          ?        417.9264 9.977096 ?        ?        ?         ?        
1 1 1 11 34 5  o 283.3958 8.007247 804.4385   45.38440 804.4385   45.38440 ?          ?        283.3958 8.007247 ?        ?        ?         ?        
1 1 1 11 34 6  o 185.9152 6.255405 346.0561   23.25950 346.0561   23.25950 ?          ?        185.9152 6.255405 ?        ?        ?         ?        
1 1 1 11 34 7  o 113.8752 7.721810 129.9128   17.58645 129.9128   17.58645 ?          ?        113.8752 7.721810 ?        ?        ?         ?        
1 1 1 11 34 8  o 862.1306 27.01200 7637.627   465.7574 7637.627   465.7574 ?          ?        862.1306 27.01200 ?        ?        ?         ?        
1 1 1 11 34 9  o 316.6609 7.972274 1005.264   50.49014 1005.264   50.49014 ?          ?        316.6609 7.972274 ?        ?        ?         ?        
1 1 1 11 34 10 o 258.7585 6.906094 671.1218   35.74022 671.1218   35.74022 ?          ?        258.7585 6.906094 ?        ?        ?         ?        
1 1 1 11 34 11 o 121.3840 8.412549 148.0666   20.42298 148.0666   20.42298 ?          ?        121.3840 8.412549 ?        ?        ?         ?        
1 1 1 11 34 12 o 91.92016 8.948986 85.09574   16.45185 85.09574   16.45185 ?          ?        91.92016 8.948986 ?        ?        ?         ?        
1 1 1 11 34 13 o 184.6070 6.299736 342.6522   23.25950 342.6522   23.25950 ?          ?        184.6070 6.299736 ?        ?        ?         ?        
1 1 1 11 34 14 o 316.5414 8.781772 1014.909   55.59589 1014.909   55.59589 ?          ?        316.5414 8.781772 ?        ?        ?         ?        
1 1 1 11 34 15 o 54.77896 12.22339 32.33638   13.04801 32.33638   13.04801 ?          ?        54.77896 12.22339 ?        ?        ?         ?        
1 1 1 11 34 16 o 148.0057 6.324440 221.8162   18.72106 221.8162   18.72106 ?          ?        148.0057 6.324440 ?        ?        ?         ?        
1 1 1 11 35 0  o 541.3807 15.69500 2945.448   169.6242 2945.448   169.6242 2945.448   169.6242 541.3807 15.69500 541.3807 15.69500 -0.000000 0.000000 
1 1 1 11 35 1  o 113.6755 6.986791 129.3455   15.88454 129.3455   15.88454 ?          ?        113.6755 6.986791 ?        ?        ?         ?        
1 1 1 11 35 2  o 535.7656 10.90634 2877.371   116.8648 2877.371   116.8648 ?          ?        535.7656 10.90634 ?        ?        ?         ?        
1 1 1 11 35 3  o 200.3356 5.805134 401.6519   23.25950 401.6519   23.25950 ?          ?        200.3356 5.805134 ?        ?        ?         ?        
1 1 1 11 35 4  o 201.5859 6.191263 406.7577   24.96142 406.7577   24.96142 ?          ?        201.5859 6.191263 ?        ?        ?         ?        
1 1 1 11 35 5  o 318.5874 8.814409 1017.178   56.16319 1017.178   56.16319 ?          ?        318.5874 8.814409 ?        ?        ?         ?        
1 1 1 11 35 6  o 124.3558 7.071025 154.8743   17.58645 154.8743   17.58645 ?          ?        124.3558 7.071025 ?        ?        ?         ?        
1 1 1 11 35 7  o 170.8063 6.476603 292.1620   22.12490 292.1620   22.12490 ?          ?        170.8063 6.476603 ?        ?        ?         ?        
1 1 1 11 35 8  f 599.2329 15.43151 3621.675   184.9414 3621.675   184.9414 ?          ?        599.2329 15.43151 ?        ?        ?         ?        
1 1 1 11 35 9  o 398.7717 10.02955 1597.531   79.99000 1597.531   79.99000 ?          ?        398.7717 10.02955 ?        ?        ?         ?        
1 1 1 11 35 10 o 183.4816 6.956753 337.5464   25.52872 337.5464   25.52872 ?          ?        183.4816 6.956753 ?        ?        ?         ?        
1 1 1 11 35 11 o 169.0209 8.391048 287.0563   28.36525 287.0563   28.36525 ?          ?        169.0209 8.391048 ?        ?        ?         ?        
1 1 1 11 35 12 o 254.8533 7.457120 653.5353   38.00943 653.5353   38.00943 ?          ?        254.8533 7.457120 ?        ?        ?         ?        
1 1 1 11 35 13 o 60.43484 12.16118 38.57674   14.18262 38.57674   14.18262 ?          ?        60.43484 12.16118 ?        ?        ?         ?        
1 1 1 11 35 14 o 241.3344 7.169637 587.7280   34.60560 587.7280   34.60560 ?          ?        241.3344 7.169637 ?        ?        ?         ?        
1 1 1 11 35 15 o 132.9008 6.829813 178.7011   18.15376 178.7011   18.15376 ?          ?        132.9008 6.829813 ?        ?        ?         ?        
1 1 1 11 35 16 o 220.3945 6.563811 492.4207   28.93255 492.4207   28.93255 ?          ?        220.3945 6.563811 ?        ?        ?         ?        
1 1 1 11 36 0  o 202.6239 8.430949 412.9980   34.03830 412.9980   34.03830 412.9980   34.03830 202.6239 8.430949 202.6239 8.430949 -0.000000 0.000000 
1 1 1 11 36 1  o 141.4538 6.216325 200.2587   17.58645 200.2587   17.58645 ?          ?        141.4538 6.216325 ?        ?        ?         ?        
1 1 1 11 36 2  o 306.2234 7.317713 938.8898   44.81709 938.8898   44.81709 ?          ?        306.2234 7.317713 ?        ?        ?         ?        
1 1 1 11 36 3  o 86.43871 9.516480 74.88425   16.45185 74.88425   16.45185 ?          ?        86.43871 9.516480 ?        ?        ?         ?        
1 1 1 11 36 4  o 258.0269 6.815743 666.5833   35.17290 666.5833   35.17290 ?          ?        258.0269 6.815743 ?        ?        ?         ?        
1 1 1 11 36 5  o 141.0168 6.637884 199.1240   18.72106 199.1240   18.72106 ?          ?        141.0168 6.637884 ?        ?        ?         ?        
1 1 1 11 36 6  o 256.5805 6.633065 659.2084   34.03830 659.2084   34.03830 ?          ?        256.5805 6.633065 ?        ?        ?         ?        
1 1 1 11 36 7  o 338.5467 9.383958 1149.927   63.53815 1149.927   63.53815 ?          ?        338.5467 9.383958 ?        ?        ?         ?        
1 1 1 11 36 8  o 283.6381 7.500380 806.1404   42.54787 806.1404   42.54787 ?          ?        283.6381 7.500380 ?        ?        ?         ?        
1 1 1 11 36 9  o 401.3699 9.399256 1617.386   75.45156 1617.386   75.45156 ?          ?        401.3699 9.399256 ?        ?        ?         ?        
1 1 1 11 36 10 f 326.2169 8.086547 1068.235   52.75936 1068.235   52.75936 ?          ?        326.2169 8.086547 ?        ?        ?         ?        
1 1 1 11 36 11 o 208.7206 7.202731 437.3921   30.06716 437.3921   30.06716 ?          ?        208.7206 7.202731 ?        ?        ?         ?        
1 1 1 11 36 12 o 255.7252 7.098933 658.0737   36.30752 658.0737   36.30752 ?          ?        255.7252 7.098933 ?        ?        ?         ?        
1 1 1 11 36 13 o 55.52012 13.41390 32.90369   14.74993 32.90369   14.74993 ?          ?        55.52012 13.41390 ?        ?        ?         ?        
1 1 1 11 36 14 f 281.9893 7.343057 803.8712   41.41326 803.8712   41.41326 ?          ?        281.9893 7.343057 ?        ?        ?         ?        
1 1 1 11 36 15 o 132.6688 6.841757 178.1338   18.15376 178.1338   18.15376 ?          ?        132.6688 6.841757 ?        ?        ?         ?        
1 1 1 11 36 16 o 57.57645 11.73784 35.74022   13.04801 35.74022   13.04801 ?          ?        57.57645 11.73784 ?        ?        ?         ?        
1 1 1 11 37 0  o 155.3295 9.944805 244.5084   30.63447 244.5084   30.63447 244.5084   30.63447 155.3295 9.944805 155.3295 9.944805 -0.000000 0.000000 
1 1 1 11 37 1  o 384.9448 8.842384 1484.637   68.07660 1484.637   68.07660 ?          ?        384.9448 8.842384 ?        ?        ?         ?        
1 1 1 11 37 2  o 412.5810 9.281350 1705.886   76.58617 1705.886   76.58617 ?          ?        412.5810 9.281350 ?        ?        ?         ?        
1 1 1 11 37 3  o 116.1176 7.328412 135.0186   17.01915 135.0186   17.01915 ?          ?        116.1176 7.328412 ?        ?        ?         ?        
1 1 1 11 37 4  o 459.3614 12.22636 2119.451   112.3264 2119.451   112.3264 ?          ?        459.3614 12.22636 ?        ?        ?         ?        
1 1 1 11 37 5  o 581.6562 14.87374 3405.532   173.0280 3405.532   173.0280 ?          ?        581.6562 14.87374 ?        ?        ?         ?        
1 1 1 11 37 6  o 455.3047 11.83690 2082.577   107.7879 2082.577   107.7879 ?          ?        455.3047 11.83690 ?        ?        ?         ?        
1 1 1 11 37 7  o 223.6477 6.341502 500.9303   28.36525 500.9303   28.36525 ?          ?        223.6477 6.341502 ?        ?        ?         ?        
1 1 1 11 37 8  o 316.9366 7.875840 1006.966   49.92284 1006.966   49.92284 ?          ?        316.9366 7.875840 ?        ?        ?         ?        
1 1 1 11 37 9  o 547.5435 12.38129 3019.197   135.5859 3019.197   135.5859 ?          ?        547.5435 12.38129 ?        ?        ?         ?        
1 1 1 11 37 10 o 242.7476 6.777347 591.1317   32.90369 591.1317   32.90369 ?          ?        242.7476 6.777347 ?        ?        ?         ?        
1 1 1 11 37 11 o 95.17970 9.536571 91.33610   18.15376 91.33610   18.15376 ?          ?        95.17970 9.536571 ?        ?        ?         ?        
1 1 1 11 37 12 o 241.2486 7.524919 586.0261   36.30752 586.0261   36.30752 ?          ?        241.2486 7.524919 ?        ?        ?         ?        
1 1 1 11 37 13 o 54.01105 14.79809 31.20177   16.45185 31.20177   16.45185 ?          ?        54.01105 14.79809 ?        ?        ?         ?        
1 1 1 11 37 14 o 150.2282 6.797318 228.0566   20.42298 228.0566   20.42298 ?          ?        150.2282 6.797318 ?        ?        ?         ?        
1 1 1 11 37 15 o 143.5897 6.716489 208.7682   19.28837 208.7682   19.28837 ?          ?        143.5897 6.716489 ?        ?        ?         ?        
1 1 1 11 37 16 o 37.06618 13.52532 12.48071   13.04801 12.48071   13.04801 ?          ?        37.06618 13.52532 ?        ?        ?         ?        
1 1 1 11 38 0  o 102.1287 12.23633 108.9226   24.39412 108.9226   24.39412 108.9226   24.39412 102.1287 12.23633 102.1287 12.23633 -0.000000 0.000000 
1 1 1 11 38 1  o 233.6161 6.313745 546.3147   29.49986 546.3147   29.49986 ?          ?        233.6161 6.313745 ?        ?        ?         ?        
1 1 1 11 38 2  o 350.5534 8.253395 1231.052   57.86510 1231.052   57.86510 ?          ?        350.5534 8.253395 ?        ?        ?         ?        
1 1 1 11 38 3  o 183.5958 6.952427 337.5464   25.52872 337.5464   25.52872 ?          ?        183.5958 6.952427 ?        ?        ?         ?        
1 1 1 11 38 4  o 712.8914 18.10400 5132.408   258.1238 5132.408   258.1238 ?          ?        712.8914 18.10400 ?        ?        ?         ?        
1 1 1 11 38 5  o 199.4261 6.685016 398.2480   26.66333 398.2480   26.66333 ?          ?        199.4261 6.685016 ?        ?        ?         ?        
1 1 1 11 38 6  o 689.6122 17.68683 4810.746   243.9411 4810.746   243.9411 ?          ?        689.6122 17.68683 ?        ?        ?         ?        
1 1 1 11 38 7  f 214.6668 7.663898 461.7863   32.90369 461.7863   32.90369 ?          ?        214.6668 7.663898 ?        ?        ?         ?        
1 1 1 11 38 8  o 387.8074 8.996543 1509.599   69.77851 1509.599   69.77851 ?          ?        387.8074 8.996543 ?        ?        ?         ?        
1 1 1 11 38 9  o 440.2174 10.88945 1950.394   95.87454 1950.394   95.87454 ?          ?        440.2174 10.88945 ?        ?        ?         ?        
1 1 1 11 38 10 o 131.9436 7.309323 174.7299   19.28837 174.7299   19.28837 ?          ?        131.9436 7.309323 ?        ?        ?         ?        
1 1 1 11 38 11 o 30.02476 13.60794 -9.644185  17.58645 -9.644185  17.58645 ?          ?        30.02476 13.60794 ?        ?        ?         ?        
1 1 1 11 38 12 o 38.25042 14.91192 9.644185   16.45185 9.644185   16.45185 ?          ?        38.25042 14.91192 ?        ?        ?         ?        
1 1 1 11 38 13 o 163.5683 6.589780 269.4698   21.55759 269.4698   21.55759 ?          ?        163.5683 6.589780 ?        ?        ?         ?        
1 1 1 11 38 14 o 222.6112 7.262972 501.4976   32.33638 501.4976   32.33638 ?          ?        222.6112 7.262972 ?        ?        ?         ?        
1 1 1 11 38 15 o 94.03646 8.445947 90.20149   15.88454 90.20149   15.88454 ?          ?        94.03646 8.445947 ?        ?        ?         ?        
1 1 1 11 38 16 o 208.8164 6.791911 443.0652   28.36525 443.0652   28.36525 ?          ?        208.8164 6.791911 ?        ?        ?         ?        
1 1 1 11 39 0  o 32.69571 20.52151 6.807660   27.23064 6.807660   27.23064 6.807660   27.23064 32.69571 20.52151 32.69571 20.52151 -0.000000 0.000000 
1 1 1 11 39 1  o 204.9043 6.644722 420.3730   27.23064 420.3730   27.23064 ?          ?        204.9043 6.644722 ?        ?        ?         ?        
1 1 1 11 39 2  o 218.2847 6.627251 477.1035   28.93255 477.1035   28.93255 ?          ?        218.2847 6.627251 ?        ?        ?         ?        
1 1 1 11 39 3  o 495.9669 11.03802 2468.911   109.4899 2468.911   109.4899 ?          ?        495.9669 11.03802 ?        ?        ?         ?        
1 1 1 11 39 4  o 584.3893 14.94979 3437.868   174.7299 3437.868   174.7299 ?          ?        584.3893 14.94979 ?        ?        ?         ?        
1 1 1 11 39 5  o 267.6740 6.888011 717.6408   36.87482 717.6408   36.87482 ?          ?        267.6740 6.888011 ?        ?        ?         ?        
1 1 1 11 39 6  o 290.7185 9.659378 848.1210   56.16319 848.1210   56.16319 ?          ?        290.7185 9.659378 ?        ?        ?         ?        
1 1 1 11 39 7  o 121.0713 7.965706 146.9320   19.28837 146.9320   19.28837 ?          ?        121.0713 7.965706 ?        ?        ?         ?        
1 1 1 11 39 8  o 162.2248 7.343761 263.7968   23.82681 263.7968   23.82681 ?          ?        162.2248 7.343761 ?        ?        ?         ?        
1 1 1 11 39 9  o 647.6284 16.77488 4261.595   217.2778 4261.595   217.2778 ?          ?        647.6284 16.77488 ?        ?        ?         ?        
1 1 1 11 39 10 o 95.18270 10.72830 91.33610   20.42298 91.33610   20.42298 ?          ?        95.18270 10.72830 ?        ?        ?         ?        
1 1 1 11 39 11 o 334.4342 8.227118 1127.235   55.02858 1127.235   55.02858 ?          ?        334.4342 8.227118 ?        ?        ?         ?        
1 1 1 11 39 12 o 148.9659 7.045334 223.5181   20.99029 223.5181   20.99029 ?          ?        148.9659 7.045334 ?        ?        ?         ?        
1 1 1 11 39 13 o 242.8010 7.827281 595.6702   38.00943 595.6702   38.00943 ?          ?        242.8010 7.827281 ?        ?        ?         ?        
1 1 1 11 39 14 o 182.6979 6.986593 338.1137   25.52872 338.1137   25.52872 ?          ?        182.6979 6.986593 ?        ?        ?         ?        
1 1 1 11 39 15 o 255.0274 7.785702 662.6122   39.71135 662.6122   39.71135 ?          ?        255.0274 7.785702 ?        ?        ?         ?        
1 1 1 11 40 0  o 339.8454 11.54740 1161.273   78.28809 1161.273   78.28809 1161.273   78.28809 339.8454 11.54740 339.8454 11.54740 -0.000000 0.000000 
1 1 1 11 40 1  o 310.9118 7.663526 968.3895   47.65361 968.3895   47.65361 ?          ?        310.9118 7.663526 ?        ?        ?         ?        
1 1 1 11 40 2  o 440.6993 10.10518 1948.125   89.06688 1948.125   89.06688 ?          ?        440.6993 10.10518 ?        ?        ?         ?        
1 1 1 11 40 3  o 461.2421 10.33158 2134.201   95.30723 2134.201   95.30723 ?          ?        461.2421 10.33158 ?        ?        ?         ?        
1 1 1 11 40 4  o 201.5225 7.037739 406.7577   28.36525 406.7577   28.36525 ?          ?        201.5225 7.037739 ?        ?        ?         ?        
1 1 1 11 40 5  o 248.5705 6.732696 618.9297   33.47099 618.9297   33.47099 ?          ?        248.5705 6.732696 ?        ?        ?         ?        
1 1 1 11 40 6  o 202.6408 6.718943 411.2961   27.23064 411.2961   27.23064 ?          ?        202.6408 6.718943 ?        ?        ?         ?        
1 1 1 11 40 7  o 463.0804 12.25068 2158.595   113.4610 2158.595   113.4610 ?          ?        463.0804 12.25068 ?        ?        ?         ?        
1 1 1 11 40 8  o 183.2927 7.892447 336.9791   28.93255 336.9791   28.93255 ?          ?        183.2927 7.892447 ?        ?        ?         ?        
1 1 1 11 40 9  o 172.4611 6.907880 298.4024   23.82681 298.4024   23.82681 ?          ?        172.4611 6.907880 ?        ?        ?         ?        
1 1 1 11 40 10 o 306.8219 7.673232 946.2647   47.08631 946.2647   47.08631 ?          ?        306.8219 7.673232 ?        ?        ?         ?        
1 1 1 11 40 11 o 281.7632 8.154313 800.4673   45.95170 800.4673   45.95170 ?          ?        281.7632 8.154313 ?        ?        ?         ?        
1 1 1 11 40 12 o 243.3973 6.992334 596.8048   34.03830 596.8048   34.03830 ?          ?        243.3973 6.992334 ?        ?        ?         ?        
1 1 1 11 40 13 o 123.7800 7.562232 154.8743   18.72106 154.8743   18.72106 ?          ?        123.7800 7.562232 ?        ?        ?         ?        
1 1 1 11 40 14 f 91.64505 8.975851 85.66305   16.45185 85.66305   16.45185 ?          ?        91.64505 8.975851 ?        ?        ?         ?        
1 1 1 11 40 15 o 37.80059 14.27515 11.91340   14.74993 11.91340   14.74993 ?          ?        37.80059 14.27515 ?        ?        ?         ?        
1 1 1 11 41 0  o 336.7390 11.65501 1140.283   78.28809 1140.283   78.28809 1140.283   78.28809 336.7390 11.65501 336.7390 11.65501 -0.000000 0.000000 
1 1 1 11 41 1  f 124.3239 8.213619 154.8743   20.42298 154.8743   20.42298 ?          ?        124.3239 8.213619 ?        ?        ?         ?        
1 1 1 11 41 2  o 294.0890 7.330296 866.2746   43.11518 866.2746   43.11518 ?          ?        294.0890 7.330296 ?        ?        ?         ?        
1 1 1 11 41 3  f 282.0882 7.239925 797.0634   40.84595 797.0634   40.84595 ?          ?        282.0882 7.239925 ?        ?        ?         ?        
1 1 1 11 41 4  o 530.6920 12.77444 2833.121   135.5859 2833.121   135.5859 ?          ?        530.6920 12.77444 ?        ?        ?         ?        
1 1 1 11 41 5  o 275.5401 7.411980 760.7560   40.84595 760.7560   40.84595 ?          ?        275.5401 7.411980 ?        ?        ?         ?        
1 1 1 11 41 6  o 239.7273 7.217702 575.8145   34.60560 575.8145   34.60560 ?          ?        239.7273 7.217702 ?        ?        ?         ?        
1 1 1 11 41 7  o 177.1606 8.325741 314.8543   29.49986 314.8543   29.49986 ?          ?        177.1606 8.325741 ?        ?        ?         ?        
1 1 1 11 41 8  o 221.6047 7.039964 492.4207   31.20177 492.4207   31.20177 ?          ?        221.6047 7.039964 ?        ?        ?         ?        
1 1 1 11 41 9  o 180.1290 7.243705 325.6331   26.09603 325.6331   26.09603 ?          ?        180.1290 7.243705 ?        ?        ?         ?        
1 1 1 11 41 10 o 212.2206 6.682965 452.1420   28.36525 452.1420   28.36525 ?          ?        212.2206 6.682965 ?        ?        ?         ?        
1 1 1 11 41 11 o 193.3992 6.746673 376.1232   26.09603 376.1232   26.09603 ?          ?        193.3992 6.746673 ?        ?        ?         ?        
1 1 1 11 41 12 o 97.22250 9.336193 95.87454   18.15376 95.87454   18.15376 ?          ?        97.22250 9.336193 ?        ?        ?         ?        
1 1 1 11 41 13 o 74.30612 11.07032 56.73050   16.45185 56.73050   16.45185 ?          ?        74.30612 11.07032 ?        ?        ?         ?        
1 1 1 11 41 14 o 109.3525 7.522388 121.4033   16.45185 121.4033   16.45185 ?          ?        109.3525 7.522388 ?        ?        ?         ?        
1 1 1 11 41 15 o 210.8526 7.533480 452.7094   31.76908 452.7094   31.76908 ?          ?        210.8526 7.533480 ?        ?        ?         ?        
1 1 1 11 42 0  o 400.8317 13.26512 1616.252   106.0860 1616.252   106.0860 1616.252   106.0860 400.8317 13.26512 400.8317 13.26512 -0.000000 0.000000 
1 1 1 11 42 1  o 485.8885 10.91671 2369.633   106.0860 2369.633   106.0860 ?          ?        485.8885 10.91671 ?        ?        ?         ?        
1 1 1 11 42 2  o 434.0786 9.867229 1890.260   85.66305 1890.260   85.66305 ?          ?        434.0786 9.867229 ?        ?        ?         ?        
1 1 1 11 42 3  o 579.7438 13.01464 3381.705   150.9031 3381.705   150.9031 ?          ?        579.7438 13.01464 ?        ?        ?         ?        
1 1 1 11 42 4  o 339.4268 9.693896 1156.167   65.80738 1156.167   65.80738 ?          ?        339.4268 9.693896 ?        ?        ?         ?        
1 1 1 11 42 5  o 107.1396 9.531011 115.1629   20.42298 115.1629   20.42298 ?          ?        107.1396 9.531011 ?        ?        ?         ?        
1 1 1 11 42 6  o 319.2901 7.906625 1022.284   50.49014 1022.284   50.49014 ?          ?        319.2901 7.906625 ?        ?        ?         ?        
1 1 1 11 42 7  o 504.1926 16.65259 2574.430   167.9223 2574.430   167.9223 ?          ?        504.1926 16.65259 ?        ?        ?         ?        
1 1 1 11 42 8  o 115.9048 9.054967 135.0186   20.99029 135.0186   20.99029 ?          ?        115.9048 9.054967 ?        ?        ?         ?        
1 1 1 11 42 9  f 101.5620 9.495858 103.8168   19.28837 103.8168   19.28837 ?          ?        101.5620 9.495858 ?        ?        ?         ?        
1 1 1 11 42 10 o 176.9838 6.891625 314.8543   24.39412 314.8543   24.39412 ?          ?        176.9838 6.891625 ?        ?        ?         ?        
1 1 1 11 42 11 o 98.80569 8.899514 98.71106   17.58645 98.71106   17.58645 ?          ?        98.80569 8.899514 ?        ?        ?         ?        
1 1 1 11 42 12 o 298.4992 8.172254 900.8803   48.78823 900.8803   48.78823 ?          ?        298.4992 8.172254 ?        ?        ?         ?        
1 1 1 11 42 13 f 324.1004 10.67743 1077.312   69.21120 1077.312   69.21120 ?          ?        324.1004 10.67743 ?        ?        ?         ?        
1 1 1 11 42 14 o 176.1723 6.762361 314.2870   23.82681 314.2870   23.82681 ?          ?        176.1723 6.762361 ?        ?        ?         ?        
1 1 1 11 42 15 o 204.4208 6.937956 424.9114   28.36525 424.9114   28.36525 ?          ?        204.4208 6.937956 ?        ?        ?         ?        
1 1 1 11 43 0  o 88.70341 18.49898 88.49958   28.93255 88.49958   28.93255 88.49958   28.93255 88.70341 18.49898 88.70341 18.49898 -0.000000 0.000000 
1 1 1 11 43 1  o 488.6138 10.85582 2397.431   106.0860 2397.431   106.0860 ?          ?        488.6138 10.85582 ?        ?        ?         ?        
1 1 1 11 43 2  o 312.3543 8.082191 978.0337   50.49014 978.0337   50.49014 ?          ?        312.3543 8.082191 ?        ?        ?         ?        
1 1 1 11 43 3  o 211.5148 6.839369 448.1709   28.93255 448.1709   28.93255 ?          ?        211.5148 6.839369 ?        ?        ?         ?        
1 1 1 11 43 4  o 118.1385 10.56447 140.1243   24.96142 140.1243   24.96142 ?          ?        118.1385 10.56447 ?        ?        ?         ?        
1 1 1 11 43 5  o 286.3894 7.527370 822.0249   43.11518 822.0249   43.11518 ?          ?        286.3894 7.527370 ?        ?        ?         ?        
1 1 1 11 43 6  o 262.1015 7.467346 688.7083   39.14404 688.7083   39.14404 ?          ?        262.1015 7.467346 ?        ?        ?         ?        
1 1 1 11 43 7  o 385.0227 9.135282 1489.176   70.34581 1489.176   70.34581 ?          ?        385.0227 9.135282 ?        ?        ?         ?        
1 1 1 11 43 8  o 310.0477 7.959344 965.5530   49.35553 965.5530   49.35553 ?          ?        310.0477 7.959344 ?        ?        ?         ?        
1 1 1 11 43 9  o 121.7643 8.386277 149.2012   20.42298 149.2012   20.42298 ?          ?        121.7643 8.386277 ?        ?        ?         ?        
1 1 1 11 43 10 o 110.8828 10.99995 124.8071   24.39412 124.8071   24.39412 ?          ?        110.8828 10.99995 ?        ?        ?         ?        
1 1 1 11 43 11 o 63.89273 14.53060 43.68248   18.15376 43.68248   18.15376 ?          ?        63.89273 14.53060 ?        ?        ?         ?        
1 1 1 11 43 12 o 235.2543 7.475508 558.7954   35.17290 558.7954   35.17290 ?          ?        235.2543 7.475508 ?        ?        ?         ?        
1 1 1 11 43 13 o 151.3690 6.933482 232.0277   20.99029 232.0277   20.99029 ?          ?        151.3690 6.933482 ?        ?        ?         ?        
1 1 1 11 43 14 o 152.8014 7.239755 237.1335   22.12490 237.1335   22.12490 ?          ?        152.8014 7.239755 ?        ?        ?         ?        
1 1 1 11 43 15 o 72.69588 10.92534 55.02858   15.88454 55.02858   15.88454 ?          ?        72.69588 10.92534 ?        ?        ?         ?        
1 1 1 11 44 0  o 144.7185 9.893911 212.7394   28.36525 212.7394   28.36525 212.7394   28.36525 144.7185 9.893911 144.7185 9.893911 -0.000000 0.000000 
1 1 1 11 44 1  o 118.6771 8.843444 141.2589   20.99029 141.2589   20.99029 ?          ?        118.6771 8.843444 ?        ?        ?         ?        
1 1 1 11 44 2  o 122.9170 8.307632 151.4704   20.42298 151.4704   20.42298 ?          ?        122.9170 8.307632 ?        ?        ?         ?        
1 1 1 11 44 3  o 158.0107 7.539619 250.1815   23.82681 250.1815   23.82681 ?          ?        158.0107 7.539619 ?        ?        ?         ?        
1 1 1 11 44 4  o 422.8088 11.87452 1797.222   100.4130 1797.222   100.4130 ?          ?        422.8088 11.87452 ?        ?        ?         ?        
1 1 1 11 44 5  o 120.7442 9.161888 146.3647   22.12490 146.3647   22.12490 ?          ?        120.7442 9.161888 ?        ?        ?         ?        
1 1 1 11 44 6  o 198.4682 7.146045 394.8442   28.36525 394.8442   28.36525 ?          ?        198.4682 7.146045 ?        ?        ?         ?        
1 1 1 11 44 7  o 337.3223 8.324856 1142.552   56.16319 1142.552   56.16319 ?          ?        337.3223 8.324856 ?        ?        ?         ?        
1 1 1 11 44 8  o 65.23371 14.30499 44.81709   18.15376 44.81709   18.15376 ?          ?        65.23371 14.30499 ?        ?        ?         ?        
1 1 1 11 44 9  o 280.6193 7.479986 791.3904   41.98057 791.3904   41.98057 ?          ?        280.6193 7.479986 ?        ?        ?         ?        
1 1 1 11 44 10 o 179.4009 7.273103 323.9312   26.09603 323.9312   26.09603 ?          ?        179.4009 7.273103 ?        ?        ?         ?        
1 1 1 11 44 11 f 116.0804 8.063838 136.1532   18.72106 136.1532   18.72106 ?          ?        116.0804 8.063838 ?        ?        ?         ?        
1 1 1 11 44 12 o 223.6054 8.118660 506.6033   36.30752 506.6033   36.30752 ?          ?        223.6054 8.118660 ?        ?        ?         ?        
1 1 1 11 44 13 o 231.6026 7.593376 544.0455   35.17290 544.0455   35.17290 ?          ?        231.6026 7.593376 ?        ?        ?         ?        
1 1 1 11 44 14 o 112.6680 8.559823 129.9128   19.28837 129.9128   19.28837 ?          ?        112.6680 8.559823 ?        ?        ?         ?        
1 1 1 11 45 0  o 258.4485 10.13100 672.2563   52.19205 672.2563   52.19205 672.2563   52.19205 258.4485 10.13100 258.4485 10.13100 -0.000000 0.000000 
1 1 1 11 45 1  o 470.6770 10.66687 2224.403   100.4130 2224.403   100.4130 ?          ?        470.6770 10.66687 ?        ?        ?         ?        
1 1 1 11 45 2  o 74.96596 14.13870 58.43241   20.42298 58.43241   20.42298 ?          ?        74.96596 14.13870 ?        ?        ?         ?        
1 1 1 11 45 3  o 330.8952 8.229383 1097.735   54.46128 1097.735   54.46128 ?          ?        330.8952 8.229383 ?        ?        ?         ?        
1 1 1 11 45 4  o 209.5894 6.902197 440.2286   28.93255 440.2286   28.93255 ?          ?        209.5894 6.902197 ?        ?        ?         ?        
1 1 1 11 45 5  o 240.8778 7.065470 581.4876   34.03830 581.4876   34.03830 ?          ?        240.8778 7.065470 ?        ?        ?         ?        
1 1 1 11 45 6  o 251.7093 7.212193 635.3815   36.30752 635.3815   36.30752 ?          ?        251.7093 7.212193 ?        ?        ?         ?        
1 1 1 11 45 7  o 167.9273 7.432210 283.0852   24.96142 283.0852   24.96142 ?          ?        167.9273 7.432210 ?        ?        ?         ?        
1 1 1 11 45 8  o 117.0824 8.237090 137.8551   19.28837 137.8551   19.28837 ?          ?        117.0824 8.237090 ?        ?        ?         ?        
1 1 1 11 45 9  o 108.1188 8.919991 117.9994   19.28837 117.9994   19.28837 ?          ?        108.1188 8.919991 ?        ?        ?         ?        
1 1 1 11 45 10 o 434.5829 10.11686 1915.789   87.93227 1915.789   87.93227 ?          ?        434.5829 10.11686 ?        ?        ?         ?        
1 1 1 11 45 11 o 42.13767 15.65564 14.74993   17.58645 14.74993   17.58645 ?          ?        42.13767 15.65564 ?        ?        ?         ?        
1 1 1 11 45 12 o 99.26797 9.143815 100.4130   18.15376 100.4130   18.15376 ?          ?        99.26797 9.143815 ?        ?        ?         ?        
1 1 1 11 45 13 o 245.5248 7.740446 612.6893   38.00943 612.6893   38.00943 ?          ?        245.5248 7.740446 ?        ?        ?         ?        
1 1 1 11 45 14 f 132.2827 7.505018 178.1338   19.85567 178.1338   19.85567 ?          ?        132.2827 7.505018 ?        ?        ?         ?        
1 1 1 11 46 0  f 252.0172 10.73456 639.9200   53.89397 639.9200   53.89397 639.9200   53.89397 252.0172 10.73456 252.0172 10.73456 -0.000000 0.000000 
1 1 1 11 46 1  o 308.1891 7.731230 951.9377   47.65361 951.9377   47.65361 ?          ?        308.1891 7.731230 ?        ?        ?         ?        
1 1 1 11 46 2  o 283.9980 7.590752 808.4095   43.11518 808.4095   43.11518 ?          ?        283.9980 7.590752 ?        ?        ?         ?        
1 1 1 11 46 3  o 504.2762 11.36239 2557.978   114.5956 2557.978   114.5956 ?          ?        504.2762 11.36239 ?        ?        ?         ?        
1 1 1 11 46 4  o 327.8211 8.220027 1077.879   53.89397 1077.879   53.89397 ?          ?        327.8211 8.220027 ?        ?        ?         ?        
1 1 1 11 46 5  o 207.7643 7.235885 432.8537   30.06716 432.8537   30.06716 ?          ?        207.7643 7.235885 ?        ?        ?         ?        
1 1 1 11 46 6  o 192.8675 7.500631 373.2867   28.93255 373.2867   28.93255 ?          ?        192.8675 7.500631 ?        ?        ?         ?        
1 1 1 11 46 7  o 370.6839 9.488653 1382.522   70.34581 1382.522   70.34581 ?          ?        370.6839 9.488653 ?        ?        ?         ?        
1 1 1 11 46 8  o 177.0363 7.210025 314.8543   25.52872 314.8543   25.52872 ?          ?        177.0363 7.210025 ?        ?        ?         ?        
1 1 1 11 46 9  o 252.6995 7.296180 642.7565   36.87482 642.7565   36.87482 ?          ?        252.6995 7.296180 ?        ?        ?         ?        
1 1 1 11 46 10 o 242.2197 7.143433 591.1317   34.60560 591.1317   34.60560 ?          ?        242.2197 7.143433 ?        ?        ?         ?        
1 1 1 11 46 11 o 185.4320 6.883580 346.6233   25.52872 346.6233   25.52872 ?          ?        185.4320 6.883580 ?        ?        ?         ?        
1 1 1 11 46 12 o 209.8409 7.975325 447.0363   33.47099 447.0363   33.47099 ?          ?        209.8409 7.975325 ?        ?        ?         ?        
1 1 1 11 46 13 o 71.48209 13.19378 55.02858   18.15376 55.02858   18.15376 ?          ?        71.48209 13.19378 ?        ?        ?         ?        
1 1 1 11 46 14 o 76.53709 11.48884 61.26894   17.58645 61.26894   17.58645 ?          ?        76.53709 11.48884 ?        ?        ?         ?        
1 1 1 11 47 0  o 47.01913 24.43876 32.90369   29.49986 32.90369   29.49986 32.90369   29.49986 47.01913 24.43876 47.01913 24.43876 -0.000000 0.000000 
1 1 1 11 47 1  o 362.7829 8.757049 1320.686   63.53815 1320.686   63.53815 ?          ?        362.7829 8.757049 ?        ?        ?         ?        
1 1 1 11 47 2  o 233.8349 6.914361 548.0166   32.33638 548.0166   32.33638 ?          ?        233.8349 6.914361 ?        ?        ?         ?        
1 1 1 11 47 3  o 266.1826 7.459418 710.2658   39.71135 710.2658   39.71135 ?          ?        266.1826 7.459418 ?        ?        ?         ?        
1 1 1 11 47 4  o 117.6312 9.404346 138.9897   22.12490 138.9897   22.12490 ?          ?        117.6312 9.404346 ?        ?        ?         ?        
1 1 1 11 47 5  o 61.88194 16.28102 40.27865   20.42298 40.27865   20.42298 ?          ?        61.88194 16.28102 ?        ?        ?         ?        
1 1 1 11 47 6  o 452.6931 11.21594 2067.259   101.5476 2067.259   101.5476 ?          ?        452.6931 11.21594 ?        ?        ?         ?        
1 1 1 11 47 7  o 344.3206 8.402796 1192.475   57.86510 1192.475   57.86510 ?          ?        344.3206 8.402796 ?        ?        ?         ?        
1 1 1 11 47 8  o 91.97487 10.79408 85.66305   19.85567 85.66305   19.85567 ?          ?        91.97487 10.79408 ?        ?        ?         ?        
1 1 1 11 47 9  o 112.4528 8.576207 127.6436   19.28837 127.6436   19.28837 ?          ?        112.4528 8.576207 ?        ?        ?         ?        
1 1 1 11 47 10 o 261.7126 7.370059 690.9775   38.57674 690.9775   38.57674 ?          ?        261.7126 7.370059 ?        ?        ?         ?        
1 1 1 11 47 11 o 28.16782 13.14260 -15.88454  18.15376 -15.88454  18.15376 ?          ?        28.16782 13.14260 ?        ?        ?         ?        
1 1 1 11 47 12 o 161.9897 7.879737 266.6333   25.52872 266.6333   25.52872 ?          ?        161.9897 7.879737 ?        ?        ?         ?        
1 1 1 11 47 13 o 98.56284 9.497020 99.84568   18.72106 99.84568   18.72106 ?          ?        98.56284 9.497020 ?        ?        ?         ?        
1 1 1 11 47 14 o 189.7429 8.371612 368.7482   31.76908 368.7482   31.76908 ?          ?        189.7429 8.371612 ?        ?        ?         ?        
1 1 1 11 48 0  o 189.5225 10.85034 363.6425   40.84595 363.6425   40.84595 363.6425   40.84595 189.5225 10.85034 189.5225 10.85034 -0.000000 0.000000 
1 1 1 11 48 1  o 737.9777 16.25862 5509.666   239.9700 5509.666   239.9700 ?          ?        737.9777 16.25862 ?        ?        ?         ?        
1 1 1 11 48 2  o 282.5416 7.830668 800.4673   44.24979 800.4673   44.24979 ?          ?        282.5416 7.830668 ?        ?        ?         ?        
1 1 1 11 48 3  o 277.9682 7.551326 774.9386   41.98057 774.9386   41.98057 ?          ?        277.9682 7.551326 ?        ?        ?         ?        
1 1 1 11 48 4  o 417.9348 9.705415 1755.809   81.12460 1755.809   81.12460 ?          ?        417.9348 9.705415 ?        ?        ?         ?        
1 1 1 11 48 5  o 390.3659 9.228230 1532.858   72.04772 1532.858   72.04772 ?          ?        390.3659 9.228230 ?        ?        ?         ?        
1 1 1 11 48 6  o 356.0991 8.682448 1274.734   61.83624 1274.734   61.83624 ?          ?        356.0991 8.682448 ?        ?        ?         ?        
1 1 1 11 48 7  f 414.6568 9.713733 1733.684   80.55730 1733.684   80.55730 ?          ?        414.6568 9.713733 ?        ?        ?         ?        
1 1 1 11 48 8  o 38.53792 16.27505 2.269220   21.55759 2.269220   21.55759 ?          ?        38.53792 16.27505 ?        ?        ?         ?        
1 1 1 11 48 9  o 138.2367 8.002542 192.8837   22.12490 192.8837   22.12490 ?          ?        138.2367 8.002542 ?        ?        ?         ?        
1 1 1 11 48 10 o 26.80848 12.50953 -14.74993  16.45185 -14.74993  16.45185 ?          ?        26.80848 12.50953 ?        ?        ?         ?        
1 1 1 11 48 11 o 34.90728 14.96871 0.5673050  18.72106 0.5673050  18.72106 ?          ?        34.90728 14.96871 ?        ?        ?         ?        
1 1 1 11 48 12 o 149.6708 8.338773 228.0566   24.96142 228.0566   24.96142 ?          ?        149.6708 8.338773 ?        ?        ?         ?        
1 1 1 11 48 13 o 130.4202 9.787104 175.2972   25.52872 175.2972   25.52872 ?          ?        130.4202 9.787104 ?        ?        ?         ?        
1 1 1 11 49 0  o 144.9650 11.08571 214.4413   31.76908 214.4413   31.76908 214.4413   31.76908 144.9650 11.08571 144.9650 11.08571 -0.000000 0.000000 
1 1 1 11 49 1  o 335.4609 9.047498 1130.072   60.70163 1130.072   60.70163 ?          ?        335.4609 9.047498 ?        ?        ?         ?        
1 1 1 11 49 2  o 411.0188 9.661688 1697.944   79.42269 1697.944   79.42269 ?          ?        411.0188 9.661688 ?        ?        ?         ?        
1 1 1 11 49 3  o 453.1005 10.45463 2065.557   94.73994 2065.557   94.73994 ?          ?        453.1005 10.45463 ?        ?        ?         ?        
1 1 1 11 49 4  f 83.76288 12.52959 70.91312   20.99029 70.91312   20.99029 ?          ?        83.76288 12.52959 ?        ?        ?         ?        
1 1 1 11 49 5  o 328.1289 8.385208 1081.851   55.02858 1081.851   55.02858 ?          ?        328.1289 8.385208 ?        ?        ?         ?        
1 1 1 11 49 6  o 166.3293 7.333079 277.9794   24.39412 277.9794   24.39412 ?          ?        166.3293 7.333079 ?        ?        ?         ?        
1 1 1 11 49 7  o 40.85917 16.53029 7.942269   20.99029 7.942269   20.99029 ?          ?        40.85917 16.53029 ?        ?        ?         ?        
1 1 1 11 49 8  o 72.09851 14.27761 55.02858   19.85567 55.02858   19.85567 ?          ?        72.09851 14.27761 ?        ?        ?         ?        
1 1 1 11 49 9  o 156.8180 7.235201 247.9123   22.69220 247.9123   22.69220 ?          ?        156.8180 7.235201 ?        ?        ?         ?        
1 1 1 11 49 10 o 120.5225 9.414090 147.4993   22.69220 147.4993   22.69220 ?          ?        120.5225 9.414090 ?        ?        ?         ?        
1 1 1 11 49 11 o 140.5783 7.465690 200.2587   20.99029 200.2587   20.99029 ?          ?        140.5783 7.465690 ?        ?        ?         ?        
1 1 1 11 49 12 o 83.59981 11.87543 72.61504   19.85567 72.61504   19.85567 ?          ?        83.59981 11.87543 ?        ?        ?         ?        
1 1 1 11 49 13 o 40.26868 15.85601 11.91340   18.72106 11.91340   18.72106 ?          ?        40.26868 15.85601 ?        ?        ?         ?        
1 1 1 11 50 0  o 91.10905 21.52946 96.44185   34.03830 96.44185   34.03830 96.44185   34.03830 91.10905 21.52946 91.10905 21.52946 -0.000000 0.000000 
1 1 1 11 50 1  o 500.6701 11.44422 2525.074   114.5956 2525.074   114.5956 ?          ?        500.6701 11.44422 ?        ?        ?         ?        
1 1 1 11 50 2  o 119.9016 10.17255 144.6628   24.39412 144.6628   24.39412 ?          ?        119.9016 10.17255 ?        ?        ?         ?        
1 1 1 11 50 3  o 153.7928 8.484154 237.7008   26.09603 237.7008   26.09603 ?          ?        153.7928 8.484154 ?        ?        ?         ?        
1 1 1 11 50 4  f 118.4818 9.576240 141.2589   22.69220 141.2589   22.69220 ?          ?        118.4818 9.576240 ?        ?        ?         ?        
1 1 1 11 50 5  o 101.6577 11.16108 104.3841   22.69220 104.3841   22.69220 ?          ?        101.6577 11.16108 ?        ?        ?         ?        
1 1 1 11 50 6  o 72.15088 15.04008 55.02858   20.99029 55.02858   20.99029 ?          ?        72.15088 15.04008 ?        ?        ?         ?        
1 1 1 11 50 7  o 169.5781 7.025320 289.3255   23.82681 289.3255   23.82681 ?          ?        169.5781 7.025320 ?        ?        ?         ?        
1 1 1 11 50 8  o 92.30275 11.37035 86.79766   20.99029 86.79766   20.99029 ?          ?        92.30275 11.37035 ?        ?        ?         ?        
1 1 1 11 50 9  o 191.0457 7.275207 368.1809   27.79794 368.1809   27.79794 ?          ?        191.0457 7.275207 ?        ?        ?         ?        
1 1 1 11 50 10 o 83.72553 11.51881 72.04772   19.28837 72.04772   19.28837 ?          ?        83.72553 11.51881 ?        ?        ?         ?        
1 1 1 11 50 11 o 190.8850 6.835538 368.7482   26.09603 368.7482   26.09603 ?          ?        190.8850 6.835538 ?        ?        ?         ?        
1 1 1 11 50 12 o 37.93172 15.51549 7.374964   18.72106 7.374964   18.72106 ?          ?        37.93172 15.51549 ?        ?        ?         ?        
1 1 1 11 50 13 o 221.9513 7.156769 501.4976   31.76908 501.4976   31.76908 ?          ?        221.9513 7.156769 ?        ?        ?         ?        
1 1 1 11 51 0  o 47.26253 26.42143 31.76908   36.87482 31.76908   36.87482 31.76908   36.87482 47.26253 26.42143 47.26253 26.42143 -0.000000 0.000000 
1 1 1 11 51 1  o 352.1627 8.860045 1246.936   62.40355 1246.936   62.40355 ?          ?        352.1627 8.860045 ?        ?        ?         ?        
1 1 1 11 51 2  o 317.3834 8.222241 1012.072   52.19205 1012.072   52.19205 ?          ?        317.3834 8.222241 ?        ?        ?         ?        
1 1 1 11 51 3  o 190.3482 7.301866 363.6425   27.79794 363.6425   27.79794 ?          ?        190.3482 7.301866 ?        ?        ?         ?        
1 1 1 11 51 4  f 275.6903 7.716606 763.5925   42.54787 763.5925   42.54787 ?          ?        275.6903 7.716606 ?        ?        ?         ?        
1 1 1 11 51 5  o 198.5103 7.430310 395.9789   29.49986 395.9789   29.49986 ?          ?        198.5103 7.430310 ?        ?        ?         ?        
1 1 1 11 51 6  o 226.4541 8.517561 517.3821   38.57674 517.3821   38.57674 ?          ?        226.4541 8.517561 ?        ?        ?         ?        
1 1 1 11 51 7  o 53.15920 17.95893 27.79794   22.69220 27.79794   22.69220 ?          ?        53.15920 17.95893 ?        ?        ?         ?        
1 1 1 11 51 8  o 97.87762 11.01252 97.57646   21.55759 97.57646   21.55759 ?          ?        97.87762 11.01252 ?        ?        ?         ?        
1 1 1 11 51 9  o 229.4736 7.045773 530.9974   32.33638 530.9974   32.33638 ?          ?        229.4736 7.045773 ?        ?        ?         ?        
1 1 1 11 51 10 o 52.49569 17.03641 28.93255   20.42298 28.93255   20.42298 ?          ?        52.49569 17.03641 ?        ?        ?         ?        
1 1 1 11 51 11 o 98.73834 10.62925 100.4130   20.99029 100.4130   20.99029 ?          ?        98.73834 10.62925 ?        ?        ?         ?        
1 1 1 11 51 12 o 80.19182 11.31896 66.94199   18.15376 66.94199   18.15376 ?          ?        80.19182 11.31896 ?        ?        ?         ?        
1 1 1 11 52 0  o 260.0088 11.50326 683.0352   59.56702 683.0352   59.56702 683.0352   59.56702 260.0088 11.50326 260.0088 11.50326 -0.000000 0.000000 
1 1 1 11 52 1  o 278.3019 7.848039 777.7751   43.68248 777.7751   43.68248 ?          ?        278.3019 7.848039 ?        ?        ?         ?        
1 1 1 11 52 2  o 62.35028 17.49174 40.84595   22.69220 40.84595   22.69220 ?          ?        62.35028 17.49174 ?        ?        ?         ?        
1 1 1 11 52 3  o 147.7179 8.641041 219.5470   25.52872 219.5470   25.52872 ?          ?        147.7179 8.641041 ?        ?        ?         ?        
1 1 1 11 52 4  f 296.1029 8.334187 882.1592   49.35553 882.1592   49.35553 ?          ?        296.1029 8.334187 ?        ?        ?         ?        
1 1 1 11 52 5  o 119.9050 9.462576 145.2301   22.69220 145.2301   22.69220 ?          ?        119.9050 9.462576 ?        ?        ?         ?        
1 1 1 11 52 6  o 195.2979 7.552529 384.0654   29.49986 384.0654   29.49986 ?          ?        195.2979 7.552529 ?        ?        ?         ?        
1 1 1 11 52 7  o 244.2678 7.315784 601.3433   35.74022 601.3433   35.74022 ?          ?        244.2678 7.315784 ?        ?        ?         ?        
1 1 1 11 52 8  o 99.81287 10.79900 101.5476   21.55759 101.5476   21.55759 ?          ?        99.81287 10.79900 ?        ?        ?         ?        
1 1 1 11 52 9  o 77.38146 14.46594 64.10546   21.55759 64.10546   21.55759 ?          ?        77.38146 14.46594 ?        ?        ?         ?        
1 1 1 11 52 10 o 50.83749 17.27235 26.66333   20.99029 26.66333   20.99029 ?          ?        50.83749 17.27235 ?        ?        ?         ?        
1 1 1 11 52 11 o 193.0314 7.494260 378.3924   28.93255 378.3924   28.93255 ?          ?        193.0314 7.494260 ?        ?        ?         ?        
1 1 1 11 52 12 o 28.62329 13.44748 -18.72106  19.85567 -18.72106  19.85567 ?          ?        28.62329 13.44748 ?        ?        ?         ?        
1 1 1 11 53 0  o 244.8047 11.05598 605.8817   53.89397 605.8817   53.89397 605.8817   53.89397 244.8047 11.05598 244.8047 11.05598 -0.000000 0.000000 
1 1 1 11 53 1  o 223.7056 7.227442 502.6322   32.33638 502.6322   32.33638 ?          ?        223.7056 7.227442 ?        ?        ?         ?        
1 1 1 11 53 2  o 347.9705 8.722239 1219.138   60.70163 1219.138   60.70163 ?          ?        347.9705 8.722239 ?        ?        ?         ?        
1 1 1 11 53 3  o 324.9809 9.688394 1064.831   62.97085 1064.831   62.97085 ?          ?        324.9809 9.688394 ?        ?        ?         ?        
1 1 1 11 53 4  o 207.1532 7.394159 431.7191   30.63447 431.7191   30.63447 ?          ?        207.1532 7.394159 ?        ?        ?         ?        
1 1 1 11 53 5  f 25.43986 12.39941 -36.30752  20.42298 -36.30752  20.42298 ?          ?        25.43986 12.39941 ?        ?        ?         ?        
1 1 1 11 53 6  o 191.4796 7.258724 369.3155   27.79794 369.3155   27.79794 ?          ?        191.4796 7.258724 ?        ?        ?         ?        
1 1 1 11 53 7  o 92.84546 11.30388 87.93227   20.99029 87.93227   20.99029 ?          ?        92.84546 11.30388 ?        ?        ?         ?        
1 1 1 11 53 8  o 62.01716 14.81728 41.41326   18.15376 41.41326   18.15376 ?          ?        62.01716 14.81728 ?        ?        ?         ?        
1 1 1 11 53 9  o 143.6711 7.897276 209.3355   22.69220 209.3355   22.69220 ?          ?        143.6711 7.897276 ?        ?        ?         ?        
1 1 1 11 53 10 o 140.3866 8.082036 200.2587   22.69220 200.2587   22.69220 ?          ?        140.3866 8.082036 ?        ?        ?         ?        
1 1 1 11 53 11 o 136.6838 8.093458 190.6145   22.12490 190.6145   22.12490 ?          ?        136.6838 8.093458 ?        ?        ?         ?        
1 1 1 11 53 12 o 56.01535 15.62258 35.17290   18.15376 35.17290   18.15376 ?          ?        56.01535 15.62258 ?        ?        ?         ?        
1 1 1 11 54 0  o 153.8013 12.51803 242.8065   38.00943 242.8065   38.00943 242.8065   38.00943 153.8013 12.51803 153.8013 12.51803 -0.000000 0.000000 
1 1 1 11 54 1  f 524.1658 11.95942 2782.063   125.3744 2782.063   125.3744 ?          ?        524.1658 11.95942 ?        ?        ?         ?        
1 1 1 11 54 2  o 158.6430 7.509566 253.0180   23.82681 253.0180   23.82681 ?          ?        158.6430 7.509566 ?        ?        ?         ?        
1 1 1 11 54 3  o 120.0832 9.684743 145.7974   23.25950 145.7974   23.25950 ?          ?        120.0832 9.684743 ?        ?        ?         ?        
1 1 1 11 54 4  o 186.5504 7.754620 350.5945   28.93255 350.5945   28.93255 ?          ?        186.5504 7.754620 ?        ?        ?         ?        
1 1 1 11 54 5  o 172.6197 7.394498 300.1043   25.52872 300.1043   25.52872 ?          ?        172.6197 7.394498 ?        ?        ?         ?        
1 1 1 11 54 6  o 120.6992 9.165302 147.4993   22.12490 147.4993   22.12490 ?          ?        120.6992 9.165302 ?        ?        ?         ?        
1 1 1 11 54 7  o 136.2129 8.537923 187.7779   23.25950 187.7779   23.25950 ?          ?        136.2129 8.537923 ?        ?        ?         ?        
1 1 1 11 54 8  o 148.3844 8.028747 222.9509   23.82681 222.9509   23.82681 ?          ?        148.3844 8.028747 ?        ?        ?         ?        
1 1 1 11 54 9  o 338.7515 10.04816 1176.590   68.07660 1176.590   68.07660 ?          ?        338.7515 10.04816 ?        ?        ?         ?        
1 1 1 11 54 10 o 82.71317 12.68860 71.48043   20.99029 71.48043   20.99029 ?          ?        82.71317 12.68860 ?        ?        ?         ?        
1 1 1 11 54 11 o 81.97930 12.11018 70.34581   19.85567 70.34581   19.85567 ?          ?        81.97930 12.11018 ?        ?        ?         ?        
1 1 1 11 55 0  o 244.1807 11.08471 604.1797   53.89397 604.1797   53.89397 604.1797   53.89397 244.1807 11.08471 244.1807 11.08471 -0.000000 0.000000 
1 1 1 11 55 1  o 44.48928 17.12602 14.18262   21.55759 14.18262   21.55759 ?          ?        44.48928 17.12602 ?        ?        ?         ?        
1 1 1 11 55 2  o 239.3914 7.346319 576.9491   35.17290 576.9491   35.17290 ?          ?        239.3914 7.346319 ?        ?        ?         ?        
1 1 1 11 55 3  o 122.6634 9.249786 152.0377   22.69220 152.0377   22.69220 ?          ?        122.6634 9.249786 ?        ?        ?         ?        
1 1 1 11 55 4  o 167.8718 8.110545 284.2198   27.23064 284.2198   27.23064 ?          ?        167.8718 8.110545 ?        ?        ?         ?        
1 1 1 11 55 5  o 166.0071 7.689048 277.9794   25.52872 277.9794   25.52872 ?          ?        166.0071 7.689048 ?        ?        ?         ?        
1 1 1 11 55 6  o 58.80482 17.78583 36.87482   22.69220 36.87482   22.69220 ?          ?        58.80482 17.78583 ?        ?        ?         ?        
1 1 1 11 55 7  o 44.46624 16.95952 15.31723   20.99029 15.31723   20.99029 ?          ?        44.46624 16.95952 ?        ?        ?         ?        
1 1 1 11 55 8  o 84.66700 12.73081 74.31695   21.55759 74.31695   21.55759 ?          ?        84.66700 12.73081 ?        ?        ?         ?        
1 1 1 11 55 9  f 225.9823 7.280147 517.3821   32.90369 517.3821   32.90369 ?          ?        225.9823 7.280147 ?        ?        ?         ?        
1 1 1 11 55 10 o 110.7793 9.473923 125.9417   20.99029 125.9417   20.99029 ?          ?        110.7793 9.473923 ?        ?        ?         ?        
1 1 1 11 55 11 o 129.2038 8.781551 171.3261   22.69220 171.3261   22.69220 ?          ?        129.2038 8.781551 ?        ?        ?         ?        
1 1 1 11 56 0  o 245.5766 10.90368 610.9874   53.32666 610.9874   53.32666 610.9874   53.32666 245.5766 10.90368 245.5766 10.90368 -0.000000 0.000000 
1 1 1 11 56 1  o 289.9220 7.924839 846.9863   45.95170 846.9863   45.95170 ?          ?        289.9220 7.924839 ?        ?        ?         ?        
1 1 1 11 56 2  o 82.57862 13.73975 69.77851   22.69220 69.77851   22.69220 ?          ?        82.57862 13.73975 ?        ?        ?         ?        
1 1 1 11 56 3  f 265.3622 7.589375 709.6985   40.27865 709.6985   40.27865 ?          ?        265.3622 7.589375 ?        ?        ?         ?        
1 1 1 11 56 4  o 42.16515 17.13703 8.509575   22.69220 8.509575   22.69220 ?          ?        42.16515 17.13703 ?        ?        ?         ?        
1 1 1 11 56 5  o 62.70353 16.83309 42.54787   21.55759 42.54787   21.55759 ?          ?        62.70353 16.83309 ?        ?        ?         ?        
1 1 1 11 56 6  o 227.7684 7.472131 523.6225   34.03830 523.6225   34.03830 ?          ?        227.7684 7.472131 ?        ?        ?         ?        
1 1 1 11 56 7  o 252.1744 7.423855 643.3238   37.44213 643.3238   37.44213 ?          ?        252.1744 7.423855 ?        ?        ?         ?        
1 1 1 11 56 8  o 121.0463 10.07636 150.3358   24.39412 150.3358   24.39412 ?          ?        121.0463 10.07636 ?        ?        ?         ?        
1 1 1 11 56 9  o 274.2971 7.859210 765.2943   43.11518 765.2943   43.11518 ?          ?        274.2971 7.859210 ?        ?        ?         ?        
1 1 1 11 56 10 o 83.46217 12.57473 73.18234   20.99029 73.18234   20.99029 ?          ?        83.46217 12.57473 ?        ?        ?         ?        
1 1 1 11 56 11 o 228.6435 7.815708 533.8340   35.74022 533.8340   35.74022 ?          ?        228.6435 7.815708 ?        ?        ?         ?        
1 1 1 11 57 0  o 266.7569 10.99278 721.0446   58.43241 721.0446   58.43241 721.0446   58.43241 266.7569 10.99278 266.7569 10.99278 -0.000000 0.000000 
1 1 1 11 57 1  o 95.42211 12.48495 93.03801   23.82681 93.03801   23.82681 ?          ?        95.42211 12.48495 ?        ?        ?         ?        
1 1 1 11 57 2  o 64.05299 17.90889 44.24979   23.82681 44.24979   23.82681 ?          ?        64.05299 17.90889 ?        ?        ?         ?        
1 1 1 11 57 3  o 128.9108 9.681663 168.4896   24.96142 168.4896   24.96142 ?          ?        128.9108 9.681663 ?        ?        ?         ?        
1 1 1 11 57 4  o 109.9593 10.57641 123.1052   23.25950 123.1052   23.25950 ?          ?        109.9593 10.57641 ?        ?        ?         ?        
1 1 1 11 57 5  o 176.7327 7.703903 315.4216   27.23064 315.4216   27.23064 ?          ?        176.7327 7.703903 ?        ?        ?         ?        
1 1 1 11 57 6  o 105.9035 10.71362 114.5956   22.69220 114.5956   22.69220 ?          ?        105.9035 10.71362 ?        ?        ?         ?        
1 1 1 11 57 7  o 148.0857 8.619579 222.9509   25.52872 222.9509   25.52872 ?          ?        148.0857 8.619579 ?        ?        ?         ?        
1 1 1 11 57 8  o 46.61753 16.49995 20.99029   19.28837 20.99029   19.28837 ?          ?        46.61753 16.49995 ?        ?        ?         ?        
1 1 1 11 57 9  o 30.37296 13.84534 -10.21149  18.72106 -10.21149  18.72106 ?          ?        30.37296 13.84534 ?        ?        ?         ?        
1 1 1 11 57 10 o 103.4506 10.14507 110.6245   20.99029 110.6245   20.99029 ?          ?        103.4506 10.14507 ?        ?        ?         ?        
1 1 1 11 58 0  o 25.45619 18.00842 -34.03830  34.60560 -34.03830  34.60560 -34.03830  34.60560 25.45619 18.00842 25.45619 18.00842 -0.000000 0.000000 
1 1 1 11 58 1  o 52.70809 18.94937 25.52872   25.52872 25.52872   25.52872 ?          ?        52.70809 18.94937 ?        ?        ?         ?        
1 1 1 11 58 2  o 228.6720 7.566646 527.5936   34.60560 527.5936   34.60560 ?          ?        228.6720 7.566646 ?        ?        ?         ?        
1 1 1 11 58 3  o 230.3484 7.511580 535.5359   34.60560 535.5359   34.60560 ?          ?        230.3484 7.511580 ?        ?        ?         ?        
1 1 1 11 58 4  f 147.4477 8.656875 220.1143   25.52872 220.1143   25.52872 ?          ?        147.4477 8.656875 ?        ?        ?         ?        
1 1 1 11 58 5  o 316.9829 8.411599 1017.745   53.32666 1017.745   53.32666 ?          ?        316.9829 8.411599 ?        ?        ?         ?        
1 1 1 11 58 6  o 33.96626 15.24608 -7.942269  21.55759 -7.942269  21.55759 ?          ?        33.96626 15.24608 ?        ?        ?         ?        
1 1 1 11 58 7  o 116.1123 10.01595 138.4224   23.25950 138.4224   23.25950 ?          ?        116.1123 10.01595 ?        ?        ?         ?        
1 1 1 11 58 8  o 30.85171 14.36653 -17.01915  21.55759 -17.01915  21.55759 ?          ?        30.85171 14.36653 ?        ?        ?         ?        
1 1 1 11 58 9  o 200.2344 7.366331 407.8922   29.49986 407.8922   29.49986 ?          ?        200.2344 7.366331 ?        ?        ?         ?        
1 1 1 11 58 10 o 124.8578 9.768762 161.1146   24.39412 161.1146   24.39412 ?          ?        124.8578 9.768762 ?        ?        ?         ?        
1 1 1 11 59 0  o 85.32718 21.96208 87.93227   32.33638 87.93227   32.33638 87.93227   32.33638 85.32718 21.96208 85.32718 21.96208 -0.000000 0.000000 
1 1 1 11 59 1  o 150.6867 8.470795 229.7585   25.52872 229.7585   25.52872 ?          ?        150.6867 8.470795 ?        ?        ?         ?        
1 1 1 11 59 2  o 247.1910 7.458772 616.6605   36.87482 616.6605   36.87482 ?          ?        247.1910 7.458772 ?        ?        ?         ?        
1 1 1 11 59 3  o 103.9284 12.00895 110.6245   24.96142 110.6245   24.96142 ?          ?        103.9284 12.00895 ?        ?        ?         ?        
1 1 1 11 59 4  o 124.6642 10.01146 158.2781   24.96142 158.2781   24.96142 ?          ?        124.6642 10.01146 ?        ?        ?         ?        
1 1 1 11 59 5  o 279.6900 7.809090 793.0923   43.68248 793.0923   43.68248 ?          ?        279.6900 7.809090 ?        ?        ?         ?        
1 1 1 11 59 6  o 36.67709 16.00568 -1.701915  22.12490 -1.701915  22.12490 ?          ?        36.67709 16.00568 ?        ?        ?         ?        
1 1 1 11 59 7  o 98.55084 12.37641 100.9803   24.39412 100.9803   24.39412 ?          ?        98.55084 12.37641 ?        ?        ?         ?        
1 1 1 11 59 8  o 224.1104 7.214386 510.0071   32.33638 510.0071   32.33638 ?          ?        224.1104 7.214386 ?        ?        ?         ?        
1 1 1 11 59 9  o 148.2124 8.803593 225.2201   26.09603 225.2201   26.09603 ?          ?        148.2124 8.803593 ?        ?        ?         ?        
1 1 1 11 60 0  o 60.58062 27.06030 55.59589   34.60560 55.59589   34.60560 55.59589   34.60560 60.58062 27.06030 60.58062 27.06030 -0.000000 0.000000 
1 1 1 11 60 1  o 151.8058 9.155755 233.7296   27.79794 233.7296   27.79794 ?          ?        151.8058 9.155755 ?        ?        ?         ?        
1 1 1 11 60 2  o 111.1577 10.46239 125.9417   23.25950 125.9417   23.25950 ?          ?        111.1577 10.46239 ?        ?        ?         ?        
1 1 1 11 60 3  f 168.9312 8.395505 289.3255   28.36525 289.3255   28.36525 ?          ?        168.9312 8.395505 ?        ?        ?         ?        
1 1 1 11 60 4  o 121.2240 10.06159 150.3358   24.39412 150.3358   24.39412 ?          ?        121.2240 10.06159 ?        ?        ?         ?        
1 1 1 11 60 5  o 104.3588 12.23122 112.8937   25.52872 112.8937   25.52872 ?          ?        104.3588 12.23122 ?        ?        ?         ?        
1 1 1 11 60 6  f 98.40238 11.24205 99.84568   22.12490 99.84568   22.12490 ?          ?        98.40238 11.24205 ?        ?        ?         ?        
1 1 1 11 60 7  o 59.79285 16.53423 39.71135   20.42298 39.71135   20.42298 ?          ?        59.79285 16.53423 ?        ?        ?         ?        
1 1 1 11 60 8  f 149.8820 8.894776 230.3258   26.66333 230.3258   26.66333 ?          ?        149.8820 8.894776 ?        ?        ?         ?        
1 1 1 11 60 9  o 113.6841 9.481359 133.3167   21.55759 133.3167   21.55759 ?          ?        113.6841 9.481359 ?        ?        ?         ?        
1 1 1 11 61 0  o 171.9287 11.99669 304.0754   40.84595 304.0754   40.84595 304.0754   40.84595 171.9287 11.99669 171.9287 11.99669 -0.000000 0.000000 
1 1 1 11 61 1  o 279.0612 8.029975 789.1213   44.81709 789.1213   44.81709 ?          ?        279.0612 8.029975 ?        ?        ?         ?        
1 1 1 11 61 2  o 82.57710 13.39651 70.91312   22.12490 70.91312   22.12490 ?          ?        82.57710 13.39651 ?        ?        ?         ?        
1 1 1 11 61 3  o 64.94614 16.88069 46.51900   22.12490 46.51900   22.12490 ?          ?        64.94614 16.88069 ?        ?        ?         ?        
1 1 1 11 61 4  o 57.18175 17.34360 35.74022   21.55759 35.74022   21.55759 ?          ?        57.18175 17.34360 ?        ?        ?         ?        
1 1 1 11 61 5  o 117.1579 14.76878 144.6628   34.60560 144.6628   34.60560 ?          ?        117.1579 14.76878 ?        ?        ?         ?        
1 1 1 11 61 6  o 111.5586 10.42479 128.2109   23.25950 128.2109   23.25950 ?          ?        111.5586 10.42479 ?        ?        ?         ?        
1 1 1 11 61 7  o 101.9491 10.85096 107.7879   22.12490 107.7879   22.12490 ?          ?        101.9491 10.85096 ?        ?        ?         ?        
1 1 1 11 61 8  o 114.4679 10.15983 135.5859   23.25950 135.5859   23.25950 ?          ?        114.4679 10.15983 ?        ?        ?         ?        
1 1 1 11 62 0  o 69.02840 26.01226 67.50929   33.47099 67.50929   33.47099 67.50929   33.47099 69.02840 26.01226 69.02840 26.01226 -0.000000 0.000000 
1 1 1 11 62 1  o 260.6426 7.835625 688.7083   40.84595 688.7083   40.84595 ?          ?        260.6426 7.835625 ?        ?        ?         ?        
1 1 1 11 62 2  o 79.86538 16.19186 69.77851   24.96142 69.77851   24.96142 ?          ?        79.86538 16.19186 ?        ?        ?         ?        
1 1 1 11 62 3  o 51.30944 17.92257 26.66333   22.69220 26.66333   22.69220 ?          ?        51.30944 17.92257 ?        ?        ?         ?        
1 1 1 11 62 4  f 67.62225 17.79471 51.05745   24.39412 51.05745   24.39412 ?          ?        67.62225 17.79471 ?        ?        ?         ?        
1 1 1 11 62 5  o 122.1493 10.44980 153.7396   25.52872 153.7396   25.52872 ?          ?        122.1493 10.44980 ?        ?        ?         ?        
1 1 1 11 62 6  o 86.79485 12.41870 78.85539   21.55759 78.85539   21.55759 ?          ?        86.79485 12.41870 ?        ?        ?         ?        
1 1 1 11 62 7  o 148.2818 9.182060 225.7874   27.23064 225.7874   27.23064 ?          ?        148.2818 9.182060 ?        ?        ?         ?        
1 1 1 11 62 8  o 159.8160 8.696858 262.0949   27.79794 262.0949   27.79794 ?          ?        159.8160 8.696858 ?        ?        ?         ?        
1 1 1 11 63 0  o 206.1059 10.65744 434.5556   43.68248 434.5556   43.68248 434.5556   43.68248 206.1059 10.65744 206.1059 10.65744 -0.000000 0.000000 
1 1 1 11 63 1  f 85.01423 14.01342 76.01886   23.82681 76.01886   23.82681 ?          ?        85.01423 14.01342 ?        ?        ?         ?        
1 1 1 11 63 2  o 152.4133 9.119265 237.1335   27.79794 237.1335   27.79794 ?          ?        152.4133 9.119265 ?        ?        ?         ?        
1 1 1 11 63 3  o 109.7424 11.11426 124.2398   24.39412 124.2398   24.39412 ?          ?        109.7424 11.11426 ?        ?        ?         ?        
1 1 1 11 63 4  o 38.95041 16.99923 -1.134610  24.96142 -1.134610  24.96142 ?          ?        38.95041 16.99923 ?        ?        ?         ?        
1 1 1 11 63 5  o 153.9992 8.472782 242.2392   26.09603 242.2392   26.09603 ?          ?        153.9992 8.472782 ?        ?        ?         ?        
1 1 1 11 63 6  o 43.24104 16.66431 15.31723   20.42298 15.31723   20.42298 ?          ?        43.24104 16.66431 ?        ?        ?         ?        
1 1 1 11 63 7  o 148.1490 8.615894 225.2201   25.52872 225.2201   25.52872 ?          ?        148.1490 8.615894 ?        ?        ?         ?        
1 1 1 11 64 0  o 177.7018 11.10333 324.4984   39.14404 324.4984   39.14404 324.4984   39.14404 177.7018 11.10333 177.7018 11.10333 -0.000000 0.000000 
1 1 1 11 64 1  o 72.83772 16.70321 58.99971   23.82681 58.99971   23.82681 ?          ?        72.83772 16.70321 ?        ?        ?         ?        
1 1 1 11 64 2  f 62.04807 18.37540 43.11518   24.39412 43.11518   24.39412 ?          ?        62.04807 18.37540 ?        ?        ?         ?        
1 1 1 11 64 3  o 200.9168 7.623670 410.1615   30.63447 410.1615   30.63447 ?          ?        200.9168 7.623670 ?        ?        ?         ?        
1 1 1 11 64 4  o 203.4968 7.945184 422.0749   32.33638 422.0749   32.33638 ?          ?        203.4968 7.945184 ?        ?        ?         ?        
1 1 1 11 64 5  o 136.4109 9.773170 191.7491   26.66333 191.7491   26.66333 ?          ?        136.4109 9.773170 ?        ?        ?         ?        
1 1 1 11 64 6  o 70.32883 16.75230 56.16319   23.25950 56.16319   23.25950 ?          ?        70.32883 16.75230 ?        ?        ?         ?        
1 1 1 11 65 0  o 75.63036 27.13998 80.55730   37.44213 80.55730   37.44213 80.55730   37.44213 75.63036 27.13998 75.63036 27.13998 -0.000000 0.000000 
1 1 1 11 65 1  f 25.90660 12.76573 -48.78823  23.82681 -48.78823  23.82681 ?          ?        25.90660 12.76573 ?        ?        ?         ?        
1 1 1 11 65 2  o 124.6430 10.01317 159.9800   24.96142 159.9800   24.96142 ?          ?        124.6430 10.01317 ?        ?        ?         ?        
1 1 1 11 65 3  o 135.4138 10.26408 189.4799   27.79794 189.4799   27.79794 ?          ?        135.4138 10.26408 ?        ?        ?         ?        
1 1 1 11 65 4  o 74.58208 18.04489 63.53815   26.66333 63.53815   26.66333 ?          ?        74.58208 18.04489 ?        ?        ?         ?        
1 1 1 11 65 5  o 147.3376 8.855862 222.9509   26.09603 222.9509   26.09603 ?          ?        147.3376 8.855862 ?        ?        ?         ?        
1 1 1 11 65 6  o 59.92220 18.24533 40.84595   23.82681 40.84595   23.82681 ?          ?        59.92220 18.24533 ?        ?        ?         ?        
1 1 1 11 66 0  o 122.1309 15.50026 161.6819   36.87482 161.6819   36.87482 161.6819   36.87482 122.1309 15.50026 122.1309 15.50026 -0.000000 0.000000 
1 1 1 11 66 1  o 73.55180 17.24900 61.26894   24.96142 61.26894   24.96142 ?          ?        73.55180 17.24900 ?        ?        ?         ?        
1 1 1 11 66 2  o 104.2665 11.69797 113.4610   24.39412 113.4610   24.39412 ?          ?        104.2665 11.69797 ?        ?        ?         ?        
1 1 1 11 66 3  o 114.9538 11.59741 137.8551   26.66333 137.8551   26.66333 ?          ?        114.9538 11.59741 ?        ?        ?         ?        
1 1 1 11 66 4  o 159.1690 9.266837 260.9603   29.49986 260.9603   29.49986 ?          ?        159.1690 9.266837 ?        ?        ?         ?        
1 1 1 11 66 5  o 86.73552 14.38939 80.55730   24.96142 80.55730   24.96142 ?          ?        86.73552 14.38939 ?        ?        ?         ?        
1 1 1 11 67 0  o 70.42870 27.25486 73.18234   36.30752 73.18234   36.30752 73.18234   36.30752 70.42870 27.25486 70.42870 27.25486 -0.000000 0.000000 
1 1 1 11 67 1  o 108.4068 12.55947 123.6725   27.23064 123.6725   27.23064 ?          ?        108.4068 12.55947 ?        ?        ?         ?        
1 1 1 11 67 2  o 82.34017 15.72055 75.45156   24.96142 75.45156   24.96142 ?          ?        82.34017 15.72055 ?        ?        ?         ?        
1 1 1 11 67 3  o 137.3472 9.913066 195.1529   27.23064 195.1529   27.23064 ?          ?        137.3472 9.913066 ?        ?        ?         ?        
1 1 1 11 68 0  o 48.04594 26.71906 38.00943   37.44213 38.00943   37.44213 38.00943   37.44213 48.04594 26.71906 48.04594 26.71906 -0.000000 0.000000 
1 1 1 11 68 1  f 86.78067 13.40131 79.99000   23.25950 79.99000   23.25950 ?          ?        86.78067 13.40131 ?        ?        ?         ?        
1 1 1 11 68 2  o 36.47051 16.46924 -8.509575  25.52872 -8.509575  25.52872 ?          ?        36.47051 16.46924 ?        ?        ?         ?        
1 1 1 12 0  0  o 194.7172 12.33851 384.0654   47.65361 384.0654   47.65361 384.0654   47.65361 194.7172 12.33851 194.7172 12.33851 -0.000000 0.000000 
1 1 1 12 0  1  o 692.5909 17.26597 4824.929   238.8354 4824.929   238.8354 4824.929   238.8354 692.5909 17.26597 692.5909 17.26597 -0.000000 0.000000 
1 1 1 12 0  2  f 206.6638 8.957729 430.0172   36.87482 430.0172   36.87482 430.0172   36.87482 206.6638 8.957729 206.6638 8.957729 -0.000000 0.000000 
1 1 1 12 0  3  o 274.3233 7.768823 755.0829   42.54787 755.0829   42.54787 755.0829   42.54787 274.3233 7.768823 274.3233 7.768823 -0.000000 0.000000 
1 1 1 12 0  4  o 251.1965 7.240191 633.1123   36.30752 633.1123   36.30752 633.1123   36.30752 251.1965 7.240191 251.1965 7.240191 -0.000000 0.000000 
1 1 1 12 0  5  o 35.08126 18.24586 18.15376   16.45185 18.15376   16.45185 18.15376   16.45185 35.08126 18.24586 35.08126 18.24586 -0.000000 0.000000 
1 1 1 12 0  6  o 89.01260 7.760465 81.12460   13.61532 81.12460   13.61532 81.12460   13.61532 89.01260 7.760465 89.01260 7.760465 -0.000000 0.000000 
1 1 1 12 0  7  o 129.9191 6.585822 170.1915   17.01915 170.1915   17.01915 170.1915   17.01915 129.9191 6.585822 129.9191 6.585822 -0.000000 0.000000 
1 1 1 12 0  8  o 258.1253 11.58859 671.1218   59.56702 671.1218   59.56702 671.1218   59.56702 258.1253 11.58859 258.1253 11.58859 -0.000000 0.000000 
1 1 1 12 0  9  f 296.8154 12.66438 887.2649   74.88425 887.2649   74.88425 887.2649   74.88425 296.8154 12.66438 296.8154 12.66438 -0.000000 0.000000 
1 1 1 12 0  10 o 17.20521 12.39745 -26.66333  18.72106 -26.66333  18.72106 -26.66333  18.72106 17.20521 12.39745 17.20521 12.39745 -0.000000 0.000000 
1 1 1 12 0  11 o 162.8330 10.54244 268.9026   34.03830 268.9026   34.03830 268.9026   34.03830 162.8330 10.54244 162.8330 10.54244 -0.000000 0.000000 
1 1 1 12 0  12 f 21.69374 14.54069 -5.105744  17.01915 -5.105744  17.01915 -5.105744  17.01915 21.69374 14.54069 21.69374 14.54069 -0.000000 0.000000 
1 1 1 12 0  13 o 42.34998 20.39294 26.66333   19.85567 26.66333   19.85567 26.66333   19.85567 42.34998 20.39294 42.34998 20.39294 -0.000000 0.000000 
1 1 1 12 0  14 o 45.28001 20.49747 30.06716   19.85567 30.06716   19.85567 30.06716   19.85567 45.28001 20.49747 45.28001 20.49747 -0.000000 0.000000 
1 1 1 12 0  15 o 349.2995 13.52429 1235.590   94.17262 1235.590   94.17262 1235.590   94.17262 349.2995 13.52429 349.2995 13.52429 -0.000000 0.000000 
1 1 1 12 0  16 o 369.2768 14.87726 1391.032   109.4899 1391.032   109.4899 1391.032   109.4899 369.2768 14.87726 369.2768 14.87726 -0.000000 0.000000 
1 1 1 12 0  17 o 141.1247 9.741657 203.6625   27.23064 203.6625   27.23064 203.6625   27.23064 141.1247 9.741657 141.1247 9.741657 -0.000000 0.000000 
1 1 1 12 0  18 o 70.33461 17.24643 58.99971   20.99029 58.99971   20.99029 58.99971   20.99029 70.33461 17.24643 70.33461 17.24643 -0.000000 0.000000 
1 1 1 12 0  19 o 17.29394 12.62474 -40.84595  22.69220 -40.84595  22.69220 -40.84595  22.69220 17.29394 12.62474 17.29394 12.62474 -0.000000 0.000000 
1 1 1 12 1  0  o 49.83250 15.61377 31.20177   13.61532 31.20177   13.61532 31.20177   13.61532 49.83250 15.61377 49.83250 15.61377 -0.000000 0.000000 
1 1 1 12 1  1  o 138.8412 4.698897 192.8837   13.04801 192.8837   13.04801 ?          ?        138.8412 4.698897 ?        ?        ?         ?        
1 1 1 12 1  2  o 389.2547 7.141325 1517.541   55.59589 1517.541   55.59589 ?          ?        389.2547 7.141325 ?        ?        ?         ?        
1 1 1 12 1  3  o 253.9893 4.802193 645.5931   24.39412 645.5931   24.39412 ?          ?        253.9893 4.802193 ?        ?        ?         ?        
1 1 1 12 1  4  o 255.8614 5.210504 655.2372   26.66333 655.2372   26.66333 ?          ?        255.8614 5.210504 ?        ?        ?         ?        
1 1 1 12 1  5  o 202.3223 4.346147 409.5942   17.58645 409.5942   17.58645 ?          ?        202.3223 4.346147 ?        ?        ?         ?        
1 1 1 12 1  6  o 311.9392 7.183625 975.1971   44.81709 975.1971   44.81709 ?          ?        311.9392 7.183625 ?        ?        ?         ?        
1 1 1 12 1  7  o 208.6562 5.029873 435.6902   20.99029 435.6902   20.99029 ?          ?        208.6562 5.029873 ?        ?        ?         ?        
1 1 1 12 1  8  o 493.6243 14.19342 2445.652   140.1243 2445.652   140.1243 ?          ?        493.6243 14.19342 ?        ?        ?         ?        
1 1 1 12 1  9  o 44.36781 11.89919 20.42298   10.77879 20.42298   10.77879 ?          ?        44.36781 11.89919 ?        ?        ?         ?        
1 1 1 12 1  10 o 358.5998 10.20390 1288.917   73.18234 1288.917   73.18234 ?          ?        358.5998 10.20390 ?        ?        ?         ?        
1 1 1 12 1  11 o 141.0340 6.033704 199.1240   17.01915 199.1240   17.01915 ?          ?        141.0340 6.033704 ?        ?        ?         ?        
1 1 1 12 1  12 o 257.4028 7.052665 663.7468   36.30752 663.7468   36.30752 ?          ?        257.4028 7.052665 ?        ?        ?         ?        
1 1 1 12 1  13 o 258.1058 7.473048 667.7179   38.57674 667.7179   38.57674 ?          ?        258.1058 7.473048 ?        ?        ?         ?        
1 1 1 12 1  14 o 361.5854 10.90411 1316.147   78.85539 1316.147   78.85539 ?          ?        361.5854 10.90411 ?        ?        ?         ?        
1 1 1 12 1  15 o 441.0735 12.79760 1974.221   112.8937 1974.221   112.8937 ?          ?        441.0735 12.79760 ?        ?        ?         ?        
1 1 1 12 1  16 o 88.27047 9.318997 78.85539   16.45185 78.85539   16.45185 ?          ?        88.27047 9.318997 ?        ?        ?         ?        
1 1 1 12 1  17 o 69.24851 9.830768 48.78823   13.61532 48.78823   13.61532 ?          ?        69.24851 9.830768 ?        ?        ?         ?        
1 1 1 12 1  18 o 54.44856 13.99205 32.33638   15.31723 32.33638   15.31723 ?          ?        54.44856 13.99205 ?        ?        ?         ?        
1 1 1 12 1  19 o 42.68850 14.98708 18.15376   15.88454 18.15376   15.88454 ?          ?        42.68850 14.98708 ?        ?        ?         ?        
1 1 1 12 2  0  f 37.89101 17.31426 20.99029   14.18262 20.99029   14.18262 20.99029   14.18262 37.89101 17.31426 37.89101 17.31426 -0.000000 0.000000 
1 1 1 12 2  1  o 255.2073 5.446150 651.8334   27.79794 651.8334   27.79794 ?          ?        255.2073 5.446150 ?        ?        ?         ?        
1 1 1 12 2  2  o 428.2591 7.153256 1836.933   61.26894 1836.933   61.26894 ?          ?        428.2591 7.153256 ?        ?        ?         ?        
1 1 1 12 2  3  o 154.8646 4.212717 239.9700   13.04801 239.9700   13.04801 ?          ?        154.8646 4.212717 ?        ?        ?         ?        
1 1 1 12 2  4  o 61.58950 7.829406 38.00943   9.644185 38.00943   9.644185 ?          ?        61.58950 7.829406 ?        ?        ?         ?        
1 1 1 12 2  5  f 132.7842 4.486001 176.4319   11.91340 176.4319   11.91340 ?          ?        132.7842 4.486001 ?        ?        ?         ?        
1 1 1 12 2  6  o 391.3052 7.176392 1534.560   56.16319 1534.560   56.16319 ?          ?        391.3052 7.176392 ?        ?        ?         ?        
1 1 1 12 2  7  o 370.7470 7.650838 1376.849   56.73050 1376.849   56.73050 ?          ?        370.7470 7.650838 ?        ?        ?         ?        
1 1 1 12 2  8  o 495.9560 14.29827 2468.911   141.8262 2468.911   141.8262 ?          ?        495.9560 14.29827 ?        ?        ?         ?        
1 1 1 12 2  9  o 219.1263 5.825116 480.5073   25.52872 480.5073   25.52872 ?          ?        219.1263 5.825116 ?        ?        ?         ?        
1 1 1 12 2  10 o 84.48476 8.057856 71.48043   13.61532 71.48043   13.61532 ?          ?        84.48476 8.057856 ?        ?        ?         ?        
1 1 1 12 2  11 o 369.7679 8.975180 1370.609   66.37468 1370.609   66.37468 ?          ?        369.7679 8.975180 ?        ?        ?         ?        
1 1 1 12 2  12 o 396.1846 9.593870 1574.839   76.01886 1574.839   76.01886 ?          ?        396.1846 9.593870 ?        ?        ?         ?        
1 1 1 12 2  13 o 128.1477 6.640444 164.5184   17.01915 164.5184   17.01915 ?          ?        128.1477 6.640444 ?        ?        ?         ?        
1 1 1 12 2  14 o 436.4516 10.59347 1916.923   92.47070 1916.923   92.47070 ?          ?        436.4516 10.59347 ?        ?        ?         ?        
1 1 1 12 2  15 o 221.4631 6.660220 492.4207   29.49986 492.4207   29.49986 ?          ?        221.4631 6.660220 ?        ?        ?         ?        
1 1 1 12 2  16 o 342.8307 8.770265 1187.937   60.13433 1187.937   60.13433 ?          ?        342.8307 8.770265 ?        ?        ?         ?        
1 1 1 12 2  17 o 106.5149 7.456485 114.5956   15.88454 114.5956   15.88454 ?          ?        106.5149 7.456485 ?        ?        ?         ?        
1 1 1 12 2  18 o 184.3938 6.460850 343.7868   23.82681 343.7868   23.82681 ?          ?        184.3938 6.460850 ?        ?        ?         ?        
1 1 1 12 2  19 o 58.65266 13.76318 38.00943   15.88454 38.00943   15.88454 ?          ?        58.65266 13.76318 ?        ?        ?         ?        
1 1 1 12 3  0  o 34.98046 17.18265 18.15376   14.18262 18.15376   14.18262 18.15376   14.18262 34.98046 17.18265 34.98046 17.18265 -0.000000 0.000000 
1 1 1 12 3  1  o 259.3905 5.467673 673.3909   28.36525 673.3909   28.36525 ?          ?        259.3905 5.467673 ?        ?        ?         ?        
1 1 1 12 3  2  o 597.7305 9.633347 3583.098   115.1629 3583.098   115.1629 ?          ?        597.7305 9.633347 ?        ?        ?         ?        
1 1 1 12 3  3  o 335.2389 5.499783 1124.966   36.87482 1124.966   36.87482 ?          ?        335.2389 5.499783 ?        ?        ?         ?        
1 1 1 12 3  4  o 550.3918 8.967345 3037.351   98.71106 3037.351   98.71106 ?          ?        550.3918 8.967345 ?        ?        ?         ?        
1 1 1 12 3  5  o 153.3964 4.068123 235.4316   12.48071 235.4316   12.48071 ?          ?        153.3964 4.068123 ?        ?        ?         ?        
1 1 1 12 3  6  o 160.9536 4.229579 259.2584   13.61532 259.2584   13.61532 ?          ?        160.9536 4.229579 ?        ?        ?         ?        
1 1 1 12 3  7  o 572.1700 12.29457 3288.100   140.6916 3288.100   140.6916 ?          ?        572.1700 12.29457 ?        ?        ?         ?        
1 1 1 12 3  8  o 305.5544 6.498244 934.3513   39.71135 934.3513   39.71135 ?          ?        305.5544 6.498244 ?        ?        ?         ?        
1 1 1 12 3  9  o 146.7825 5.217664 215.5759   15.31723 215.5759   15.31723 ?          ?        146.7825 5.217664 ?        ?        ?         ?        
1 1 1 12 3  10 o 663.5414 16.71457 4430.652   221.8162 4430.652   221.8162 ?          ?        663.5414 16.71457 ?        ?        ?         ?        
1 1 1 12 3  11 o 380.8301 9.161371 1454.002   69.77851 1454.002   69.77851 ?          ?        380.8301 9.161371 ?        ?        ?         ?        
1 1 1 12 3  12 o 315.7065 7.996374 999.0241   50.49014 999.0241   50.49014 ?          ?        315.7065 7.996374 ?        ?        ?         ?        
1 1 1 12 3  13 o 238.0786 6.671974 567.8723   31.76908 567.8723   31.76908 ?          ?        238.0786 6.671974 ?        ?        ?         ?        
1 1 1 12 3  14 o 557.2752 13.28487 3136.629   148.0666 3136.629   148.0666 ?          ?        557.2752 13.28487 ?        ?        ?         ?        
1 1 1 12 3  15 o 332.9860 8.433268 1115.889   56.16319 1115.889   56.16319 ?          ?        332.9860 8.433268 ?        ?        ?         ?        
1 1 1 12 3  16 o 130.7192 6.509814 171.8934   17.01915 171.8934   17.01915 ?          ?        130.7192 6.509814 ?        ?        ?         ?        
1 1 1 12 3  17 o 76.11175 10.06233 58.99971   15.31723 58.99971   15.31723 ?          ?        76.11175 10.06233 ?        ?        ?         ?        
1 1 1 12 3  18 o 179.1853 6.806951 325.0657   24.39412 325.0657   24.39412 ?          ?        179.1853 6.806951 ?        ?        ?         ?        
1 1 1 12 3  19 f 26.76091 12.41154 -11.91340  15.88454 -11.91340  15.88454 ?          ?        26.76091 12.41154 ?        ?        ?         ?        
1 1 1 12 4  0  o 396.9599 9.013816 1579.944   71.48043 1579.944   71.48043 1579.944   71.48043 396.9599 9.013816 396.9599 9.013816 -0.000000 0.000000 
1 1 1 12 4  1  o 81.08113 5.947244 65.80738   9.644185 65.80738   9.644185 ?          ?        81.08113 5.947244 ?        ?        ?         ?        
1 1 1 12 4  2  o 153.7557 4.612066 236.5662   14.18262 236.5662   14.18262 ?          ?        153.7557 4.612066 ?        ?        ?         ?        
1 1 1 12 4  3  o 291.1904 5.260212 848.6883   30.63447 848.6883   30.63447 ?          ?        291.1904 5.260212 ?        ?        ?         ?        
1 1 1 12 4  4  o 169.3822 4.019111 287.0563   13.61532 287.0563   13.61532 ?          ?        169.3822 4.019111 ?        ?        ?         ?        
1 1 1 12 4  5  o 89.37812 6.347247 79.99000   11.34610 79.99000   11.34610 ?          ?        89.37812 6.347247 ?        ?        ?         ?        
1 1 1 12 4  6  o 213.8625 4.774792 457.8151   20.42298 457.8151   20.42298 ?          ?        213.8625 4.774792 ?        ?        ?         ?        
1 1 1 12 4  7  o 201.4664 5.068581 406.1903   20.42298 406.1903   20.42298 ?          ?        201.4664 5.068581 ?        ?        ?         ?        
1 1 1 12 4  8  o 222.7356 5.603375 496.3919   24.96142 496.3919   24.96142 ?          ?        222.7356 5.603375 ?        ?        ?         ?        
1 1 1 12 4  9  o 44.58057 12.72817 20.42298   11.91340 20.42298   11.91340 ?          ?        44.58057 12.72817 ?        ?        ?         ?        
1 1 1 12 4  10 o 318.3101 8.554753 1014.909   54.46128 1014.909   54.46128 ?          ?        318.3101 8.554753 ?        ?        ?         ?        
1 1 1 12 4  11 o 160.5743 6.006055 258.1238   19.28837 258.1238   19.28837 ?          ?        160.5743 6.006055 ?        ?        ?         ?        
1 1 1 12 4  12 o 183.2864 6.190367 336.4118   22.69220 336.4118   22.69220 ?          ?        183.2864 6.190367 ?        ?        ?         ?        
1 1 1 12 4  13 o 318.5659 8.191722 1017.745   52.19205 1017.745   52.19205 ?          ?        318.5659 8.191722 ?        ?        ?         ?        
1 1 1 12 4  14 o 288.3970 9.048647 835.6403   52.19205 835.6403   52.19205 ?          ?        288.3970 9.048647 ?        ?        ?         ?        
1 1 1 12 4  15 o 364.1299 9.971035 1337.705   72.61504 1337.705   72.61504 ?          ?        364.1299 9.971035 ?        ?        ?         ?        
1 1 1 12 4  16 o 75.14262 10.19211 57.29780   15.31723 57.29780   15.31723 ?          ?        75.14262 10.19211 ?        ?        ?         ?        
1 1 1 12 4  17 o 144.6793 6.665906 211.0374   19.28837 211.0374   19.28837 ?          ?        144.6793 6.665906 ?        ?        ?         ?        
1 1 1 12 4  18 o 240.8679 7.183523 588.2952   34.60560 588.2952   34.60560 ?          ?        240.8679 7.183523 ?        ?        ?         ?        
1 1 1 12 4  19 o 88.86463 9.895081 81.69191   17.58645 81.69191   17.58645 ?          ?        88.86463 9.895081 ?        ?        ?         ?        
1 1 1 12 5  0  o 73.06765 9.577941 56.16319   13.61532 56.16319   13.61532 56.16319   13.61532 73.06765 9.577941 73.06765 9.577941 -0.000000 0.000000 
1 1 1 12 5  1  o 321.4534 5.382679 1034.197   34.60560 1034.197   34.60560 ?          ?        321.4534 5.382679 ?        ?        ?         ?        
1 1 1 12 5  2  o 173.6718 4.409822 301.8062   15.31723 301.8062   15.31723 ?          ?        173.6718 4.409822 ?        ?        ?         ?        
1 1 1 12 5  3  o 366.0524 6.276656 1341.676   45.95170 1341.676   45.95170 ?          ?        366.0524 6.276656 ?        ?        ?         ?        
1 1 1 12 5  4  o 424.6621 7.013461 1806.299   59.56702 1806.299   59.56702 ?          ?        424.6621 7.013461 ?        ?        ?         ?        
1 1 1 12 5  5  o 160.7911 4.233854 258.6910   13.61532 258.6910   13.61532 ?          ?        160.7911 4.233854 ?        ?        ?         ?        
1 1 1 12 5  6  o 259.5731 5.135996 674.5256   26.66333 674.5256   26.66333 ?          ?        259.5731 5.135996 ?        ?        ?         ?        
1 1 1 12 5  7  f 410.3301 9.677902 1688.300   79.42269 1688.300   79.42269 ?          ?        410.3301 9.677902 ?        ?        ?         ?        
1 1 1 12 5  8  o 319.1033 11.28909 1020.582   72.04772 1020.582   72.04772 ?          ?        319.1033 11.28909 ?        ?        ?         ?        
1 1 1 12 5  9  o 369.2137 8.835003 1365.503   65.24007 1365.503   65.24007 ?          ?        369.2137 8.835003 ?        ?        ?         ?        
1 1 1 12 5  10 o 476.1510 12.09311 2274.893   115.1629 2274.893   115.1629 ?          ?        476.1510 12.09311 ?        ?        ?         ?        
1 1 1 12 5  11 o 183.9264 6.168825 338.6811   22.69220 338.6811   22.69220 ?          ?        183.9264 6.168825 ?        ?        ?         ?        
1 1 1 12 5  12 o 235.5961 6.621880 555.9589   31.20177 555.9589   31.20177 ?          ?        235.5961 6.621880 ?        ?        ?         ?        
1 1 1 12 5  13 o 311.6649 8.009055 974.0626   49.92284 974.0626   49.92284 ?          ?        311.6649 8.009055 ?        ?        ?         ?        
1 1 1 12 5  14 o 387.0175 10.40745 1507.329   80.55730 1507.329   80.55730 ?          ?        387.0175 10.40745 ?        ?        ?         ?        
1 1 1 12 5  15 f 383.3647 10.28464 1483.502   78.85539 1483.502   78.85539 ?          ?        383.3647 10.28464 ?        ?        ?         ?        
1 1 1 12 5  16 o 110.8285 6.910333 123.6725   15.31723 123.6725   15.31723 ?          ?        110.8285 6.910333 ?        ?        ?         ?        
1 1 1 12 5  17 o 77.87989 10.19810 61.83624   15.88454 61.83624   15.88454 ?          ?        77.87989 10.19810 ?        ?        ?         ?        
1 1 1 12 5  18 o 98.05936 8.677982 98.14376   17.01915 98.14376   17.01915 ?          ?        98.05936 8.677982 ?        ?        ?         ?        
1 1 1 12 5  19 o 69.76243 12.66482 52.75936   17.01915 52.75936   17.01915 ?          ?        69.76243 12.66482 ?        ?        ?         ?        
1 1 1 12 6  0  o 257.3178 6.402381 663.7468   32.90369 663.7468   32.90369 663.7468   32.90369 257.3178 6.402381 257.3178 6.402381 -0.000000 0.000000 
1 1 1 12 6  1  o 168.2132 3.878417 283.0852   13.04801 283.0852   13.04801 ?          ?        168.2132 3.878417 ?        ?        ?         ?        
1 1 1 12 6  2  o 289.3498 4.999581 837.9094   28.93255 837.9094   28.93255 ?          ?        289.3498 4.999581 ?        ?        ?         ?        
1 1 1 12 6  3  o 242.8071 4.789708 589.9972   23.25950 589.9972   23.25950 ?          ?        242.8071 4.789708 ?        ?        ?         ?        
1 1 1 12 6  4  o 570.4887 9.248099 3263.705   105.5187 3263.705   105.5187 ?          ?        570.4887 9.248099 ?        ?        ?         ?        
1 1 1 12 6  5  o 258.3146 4.502166 667.7179   23.25950 667.7179   23.25950 ?          ?        258.3146 4.502166 ?        ?        ?         ?        
1 1 1 12 6  6  o 444.2225 7.343175 1977.625   65.24007 1977.625   65.24007 ?          ?        444.2225 7.343175 ?        ?        ?         ?        
1 1 1 12 6  7  o 131.2889 4.321042 172.4607   11.34610 172.4607   11.34610 ?          ?        131.2889 4.321042 ?        ?        ?         ?        
1 1 1 12 6  8  o 577.0701 18.92425 3351.071   218.4124 3351.071   218.4124 ?          ?        577.0701 18.92425 ?        ?        ?         ?        
1 1 1 12 6  9  o 519.9184 11.18421 2710.583   116.2975 2710.583   116.2975 ?          ?        519.9184 11.18421 ?        ?        ?         ?        
1 1 1 12 6  10 o 248.5076 7.419254 618.3624   36.87482 618.3624   36.87482 ?          ?        248.5076 7.419254 ?        ?        ?         ?        
1 1 1 12 6  11 o 204.6266 6.376499 419.2384   26.09603 419.2384   26.09603 ?          ?        204.6266 6.376499 ?        ?        ?         ?        
1 1 1 12 6  12 o 346.4769 9.332912 1204.388   64.67276 1204.388   64.67276 ?          ?        346.4769 9.332912 ?        ?        ?         ?        
1 1 1 12 6  13 o 397.7230 10.48391 1589.589   83.39383 1589.589   83.39383 ?          ?        397.7230 10.48391 ?        ?        ?         ?        
1 1 1 12 6  14 o 493.8336 12.92375 2463.238   127.6436 2463.238   127.6436 ?          ?        493.8336 12.92375 ?        ?        ?         ?        
1 1 1 12 6  15 o 85.88399 9.247671 74.31695   15.88454 74.31695   15.88454 ?          ?        85.88399 9.247671 ?        ?        ?         ?        
1 1 1 12 6  16 o 88.28370 8.996304 78.85539   15.88454 78.85539   15.88454 ?          ?        88.28370 8.996304 ?        ?        ?         ?        
1 1 1 12 6  17 o 146.0235 7.575798 215.5759   22.12490 215.5759   22.12490 ?          ?        146.0235 7.575798 ?        ?        ?         ?        
1 1 1 12 6  18 o 193.3382 9.096212 382.3636   35.17290 382.3636   35.17290 ?          ?        193.3382 9.096212 ?        ?        ?         ?        
1 1 1 12 6  19 o 212.0528 7.892136 459.5170   33.47099 459.5170   33.47099 ?          ?        212.0528 7.892136 ?        ?        ?         ?        
1 1 1 12 7  0  o 530.0594 11.67852 2819.506   123.6725 2819.506   123.6725 2819.506   123.6725 530.0594 11.67852 530.0594 11.67852 -0.000000 0.000000 
1 1 1 12 7  1  o 266.5192 4.789284 710.8331   25.52872 710.8331   25.52872 ?          ?        266.5192 4.789284 ?        ?        ?         ?        
1 1 1 12 7  2  o 205.6593 4.275629 423.2095   17.58645 423.2095   17.58645 ?          ?        205.6593 4.275629 ?        ?        ?         ?        
1 1 1 12 7  3  o 181.8130 4.056345 330.7388   14.74993 330.7388   14.74993 ?          ?        181.8130 4.056345 ?        ?        ?         ?        
1 1 1 12 7  4  o 120.9334 4.925606 146.3647   11.91340 146.3647   11.91340 ?          ?        120.9334 4.925606 ?        ?        ?         ?        
1 1 1 12 7  5  o 186.4248 4.260308 347.7579   15.88454 347.7579   15.88454 ?          ?        186.4248 4.260308 ?        ?        ?         ?        
1 1 1 12 7  6  o 172.5098 4.603951 297.8351   15.88454 297.8351   15.88454 ?          ?        172.5098 4.603951 ?        ?        ?         ?        
1 1 1 12 7  7  o 327.0572 6.851568 1071.072   44.81709 1071.072   44.81709 ?          ?        327.0572 6.851568 ?        ?        ?         ?        
1 1 1 12 7  8  o 274.9998 6.395079 756.7847   35.17290 756.7847   35.17290 ?          ?        274.9998 6.395079 ?        ?        ?         ?        
1 1 1 12 7  9  o 455.7335 9.273890 2080.875   84.52843 2080.875   84.52843 ?          ?        455.7335 9.273890 ?        ?        ?         ?        
1 1 1 12 7  10 o 601.4597 15.18574 3637.560   182.6722 3637.560   182.6722 ?          ?        601.4597 15.18574 ?        ?        ?         ?        
1 1 1 12 7  11 o 129.2692 7.021688 167.3549   18.15376 167.3549   18.15376 ?          ?        129.2692 7.021688 ?        ?        ?         ?        
1 1 1 12 7  12 o 280.1101 7.493584 786.2847   41.98057 786.2847   41.98057 ?          ?        280.1101 7.493584 ?        ?        ?         ?        
1 1 1 12 7  13 o 127.6921 6.664135 163.3838   17.01915 163.3838   17.01915 ?          ?        127.6921 6.664135 ?        ?        ?         ?        
1 1 1 12 7  14 o 327.0341 9.107157 1075.043   59.56702 1075.043   59.56702 ?          ?        327.0341 9.107157 ?        ?        ?         ?        
1 1 1 12 7  15 o 136.9583 6.834585 188.3452   18.72106 188.3452   18.72106 ?          ?        136.9583 6.834585 ?        ?        ?         ?        
1 1 1 12 7  16 o 88.28011 8.996670 78.85539   15.88454 78.85539   15.88454 ?          ?        88.28011 8.996670 ?        ?        ?         ?        
1 1 1 12 7  17 o 94.05961 9.951701 90.20149   18.72106 90.20149   18.72106 ?          ?        94.05961 9.951701 ?        ?        ?         ?        
1 1 1 12 7  18 o 91.61758 9.907355 86.23035   18.15376 86.23035   18.15376 ?          ?        91.61758 9.907355 ?        ?        ?         ?        
1 1 1 12 7  19 o 52.09879 15.63757 30.06716   17.58645 30.06716   17.58645 ?          ?        52.09879 15.63757 ?        ?        ?         ?        
1 1 1 12 8  0  o 207.0000 6.454224 430.0172   26.66333 430.0172   26.66333 430.0172   26.66333 207.0000 6.454224 207.0000 6.454224 -0.000000 0.000000 
1 1 1 12 8  1  f 398.6599 6.261333 1591.290   49.92284 1591.290   49.92284 ?          ?        398.6599 6.261333 ?        ?        ?         ?        
1 1 1 12 8  2  o 369.4692 5.911519 1366.638   43.68248 1366.638   43.68248 ?          ?        369.4692 5.911519 ?        ?        ?         ?        
1 1 1 12 8  3  o 275.2014 4.741260 757.9195   26.09603 757.9195   26.09603 ?          ?        275.2014 4.741260 ?        ?        ?         ?        
1 1 1 12 8  4  o 683.9136 10.94937 4695.583   149.7685 4695.583   149.7685 ?          ?        683.9136 10.94937 ?        ?        ?         ?        
1 1 1 12 8  5  o 284.1851 5.290067 808.4095   30.06716 808.4095   30.06716 ?          ?        284.1851 5.290067 ?        ?        ?         ?        
1 1 1 12 8  6  o 337.2312 5.803741 1138.581   39.14404 1138.581   39.14404 ?          ?        337.2312 5.803741 ?        ?        ?         ?        
1 1 1 12 8  7  o 34.45510 11.35821 11.34610   9.076880 11.34610   9.076880 ?          ?        34.45510 11.35821 ?        ?        ?         ?        
1 1 1 12 8  8  o 205.4012 4.971484 422.0749   20.42298 422.0749   20.42298 ?          ?        205.4012 4.971484 ?        ?        ?         ?        
1 1 1 12 8  9  o 388.8391 8.097290 1514.137   62.97085 1514.137   62.97085 ?          ?        388.8391 8.097290 ?        ?        ?         ?        
1 1 1 12 8  10 o 469.7535 10.38592 2212.489   97.57646 2212.489   97.57646 ?          ?        469.7535 10.38592 ?        ?        ?         ?        
1 1 1 12 8  11 o 151.2925 6.562014 229.1912   19.85567 229.1912   19.85567 ?          ?        151.2925 6.562014 ?        ?        ?         ?        
1 1 1 12 8  12 o 126.8226 6.709826 161.1146   17.01915 161.1146   17.01915 ?          ?        126.8226 6.709826 ?        ?        ?         ?        
1 1 1 12 8  13 o 301.2447 8.474414 910.5245   51.05745 910.5245   51.05745 ?          ?        301.2447 8.474414 ?        ?        ?         ?        
1 1 1 12 8  14 o 371.7697 9.308343 1389.897   69.21120 1389.897   69.21120 ?          ?        371.7697 9.308343 ?        ?        ?         ?        
1 1 1 12 8  15 o 67.91499 12.58472 48.22092   16.45185 48.22092   16.45185 ?          ?        67.91499 12.58472 ?        ?        ?         ?        
1 1 1 12 8  16 o 124.3879 7.525276 156.0089   18.72106 156.0089   18.72106 ?          ?        124.3879 7.525276 ?        ?        ?         ?        
1 1 1 12 8  17 o 356.2534 11.14694 1301.398   79.42269 1301.398   79.42269 ?          ?        356.2534 11.14694 ?        ?        ?         ?        
1 1 1 12 8  18 o 48.28552 14.93702 24.96142   15.88454 24.96142   15.88454 ?          ?        48.28552 14.93702 ?        ?        ?         ?        
1 1 1 12 8  19 o 70.81534 10.81491 52.19205   15.31723 52.19205   15.31723 ?          ?        70.81534 10.81491 ?        ?        ?         ?        
1 1 1 12 9  0  o 28.30846 15.55155 11.34610   12.48071 11.34610   12.48071 11.34610   12.48071 28.30846 15.55155 28.30846 15.55155 -0.000000 0.000000 
1 1 1 12 9  1  o 453.3036 7.070920 2058.182   64.10546 2058.182   64.10546 ?          ?        453.3036 7.070920 ?        ?        ?         ?        
1 1 1 12 9  2  o 355.4141 5.666440 1264.523   40.27865 1264.523   40.27865 ?          ?        355.4141 5.666440 ?        ?        ?         ?        
1 1 1 12 9  3  o 558.1253 8.487335 3122.447   94.73994 3122.447   94.73994 ?          ?        558.1253 8.487335 ?        ?        ?         ?        
1 1 1 12 9  4  o 650.9279 11.37350 4254.787   148.0666 4254.787   148.0666 ?          ?        650.9279 11.37350 ?        ?        ?         ?        
1 1 1 12 9  5  o 246.7311 4.828496 609.2856   23.82681 609.2856   23.82681 ?          ?        246.7311 4.828496 ?        ?        ?         ?        
1 1 1 12 9  6  o 307.1004 5.449520 943.9954   33.47099 943.9954   33.47099 ?          ?        307.1004 5.449520 ?        ?        ?         ?        
1 1 1 12 9  7  o 122.5608 5.785953 150.3358   14.18262 150.3358   14.18262 ?          ?        122.5608 5.785953 ?        ?        ?         ?        
1 1 1 12 9  8  o 438.1922 11.32818 1924.298   99.27837 1924.298   99.27837 ?          ?        438.1922 11.32818 ?        ?        ?         ?        
1 1 1 12 9  9  o 246.6377 5.635381 608.7182   27.79794 608.7182   27.79794 ?          ?        246.6377 5.635381 ?        ?        ?         ?        
1 1 1 12 9  10 o 505.6273 14.19308 2569.324   143.5282 2569.324   143.5282 ?          ?        505.6273 14.19308 ?        ?        ?         ?        
1 1 1 12 9  11 o 577.3098 16.01752 3358.446   184.9414 3358.446   184.9414 ?          ?        577.3098 16.01752 ?        ?        ?         ?        
1 1 1 12 9  12 o 232.1748 7.085975 540.0743   32.90369 540.0743   32.90369 ?          ?        232.1748 7.085975 ?        ?        ?         ?        
1 1 1 12 9  13 o 368.7382 10.00027 1366.070   73.74965 1366.070   73.74965 ?          ?        368.7382 10.00027 ?        ?        ?         ?        
1 1 1 12 9  14 o 287.4102 8.388867 829.9672   48.22092 829.9672   48.22092 ?          ?        287.4102 8.388867 ?        ?        ?         ?        
1 1 1 12 9  15 o 254.0478 7.815725 648.9968   39.71135 648.9968   39.71135 ?          ?        254.0478 7.815725 ?        ?        ?         ?        
1 1 1 12 9  16 o 194.8132 7.134514 382.3636   27.79794 382.3636   27.79794 ?          ?        194.8132 7.134514 ?        ?        ?         ?        
1 1 1 12 9  17 o 251.7724 8.111684 642.7565   40.84595 642.7565   40.84595 ?          ?        251.7724 8.111684 ?        ?        ?         ?        
1 1 1 12 9  18 o 233.5990 8.014188 555.3916   37.44213 555.3916   37.44213 ?          ?        233.5990 8.014188 ?        ?        ?         ?        
1 1 1 12 9  19 o 138.3147 10.04880 197.9895   27.79794 197.9895   27.79794 ?          ?        138.3147 10.04880 ?        ?        ?         ?        
1 1 1 12 10 0  o 263.7609 7.109168 697.7851   37.44213 697.7851   37.44213 697.7851   37.44213 263.7609 7.109168 263.7609 7.109168 -0.000000 0.000000 
1 1 1 12 10 1  o 268.3220 4.651392 720.4773   24.96142 720.4773   24.96142 ?          ?        268.3220 4.651392 ?        ?        ?         ?        
1 1 1 12 10 2  o 194.6078 4.372680 378.9597   17.01915 378.9597   17.01915 ?          ?        194.6078 4.372680 ?        ?        ?         ?        
1 1 1 12 10 3  o 364.5322 5.835956 1330.330   42.54787 1330.330   42.54787 ?          ?        364.5322 5.835956 ?        ?        ?         ?        
1 1 1 12 10 4  o 286.7943 4.945226 823.1595   28.36525 823.1595   28.36525 ?          ?        286.7943 4.945226 ?        ?        ?         ?        
1 1 1 12 10 5  o 201.1898 4.229626 405.0558   17.01915 405.0558   17.01915 ?          ?        201.1898 4.229626 ?        ?        ?         ?        
1 1 1 12 10 6  o 551.4662 9.207054 3048.697   101.5476 3048.697   101.5476 ?          ?        551.4662 9.207054 ?        ?        ?         ?        
1 1 1 12 10 7  o 234.9155 7.486291 552.5551   35.17290 552.5551   35.17290 ?          ?        234.9155 7.486291 ?        ?        ?         ?        
1 1 1 12 10 8  o 406.4512 8.932811 1654.261   72.61504 1654.261   72.61504 ?          ?        406.4512 8.932811 ?        ?        ?         ?        
1 1 1 12 10 9  o 403.2195 8.230588 1628.165   66.37468 1628.165   66.37468 ?          ?        403.2195 8.230588 ?        ?        ?         ?        
1 1 1 12 10 10 o 684.2497 17.20363 4716.574   235.4316 4716.574   235.4316 ?          ?        684.2497 17.20363 ?        ?        ?         ?        
1 1 1 12 10 11 o 180.1841 6.454371 325.0657   23.25950 325.0657   23.25950 ?          ?        180.1841 6.454371 ?        ?        ?         ?        
1 1 1 12 10 12 o 153.3310 6.104787 235.4316   18.72106 235.4316   18.72106 ?          ?        153.3310 6.104787 ?        ?        ?         ?        
1 1 1 12 10 13 o 189.3266 6.292514 359.1040   23.82681 359.1040   23.82681 ?          ?        189.3266 6.292514 ?        ?        ?         ?        
1 1 1 12 10 14 o 281.0537 8.275822 793.6596   46.51900 793.6596   46.51900 ?          ?        281.0537 8.275822 ?        ?        ?         ?        
1 1 1 12 10 15 o 190.9879 6.980371 366.4790   26.66333 366.4790   26.66333 ?          ?        190.9879 6.980371 ?        ?        ?         ?        
1 1 1 12 10 16 o 216.4249 7.208453 471.9977   31.20177 471.9977   31.20177 ?          ?        216.4249 7.208453 ?        ?        ?         ?        
1 1 1 12 10 17 o 167.6571 7.105815 284.2198   23.82681 284.2198   23.82681 ?          ?        167.6571 7.105815 ?        ?        ?         ?        
1 1 1 12 10 18 o 134.7505 9.472593 186.0760   25.52872 186.0760   25.52872 ?          ?        134.7505 9.472593 ?        ?        ?         ?        
1 1 1 12 11 0  o 711.4715 15.08536 5087.591   214.4413 5087.591   214.4413 5087.591   214.4413 711.4715 15.08536 711.4715 15.08536 -0.000000 0.000000 
1 1 1 12 11 1  o 79.31158 5.722291 62.97085   9.076880 62.97085   9.076880 ?          ?        79.31158 5.722291 ?        ?        ?         ?        
1 1 1 12 11 2  o 284.3178 4.788768 808.9769   27.23064 808.9769   27.23064 ?          ?        284.3178 4.788768 ?        ?        ?         ?        
1 1 1 12 11 3  o 260.1680 4.688147 677.3621   24.39412 677.3621   24.39412 ?          ?        260.1680 4.688147 ?        ?        ?         ?        
1 1 1 12 11 4  o 250.2903 4.533177 626.8720   22.69220 626.8720   22.69220 ?          ?        250.2903 4.533177 ?        ?        ?         ?        
1 1 1 12 11 5  o 290.0498 5.769871 842.4479   33.47099 842.4479   33.47099 ?          ?        290.0498 5.769871 ?        ?        ?         ?        
1 1 1 12 11 6  o 221.8397 4.603093 492.4207   20.42298 492.4207   20.42298 ?          ?        221.8397 4.603093 ?        ?        ?         ?        
1 1 1 12 11 7  o 242.4229 7.020438 588.2952   34.03830 588.2952   34.03830 ?          ?        242.4229 7.020438 ?        ?        ?         ?        
1 1 1 12 11 8  o 258.1042 5.934515 666.5833   30.63447 666.5833   30.63447 ?          ?        258.1042 5.934515 ?        ?        ?         ?        
1 1 1 12 11 9  o 492.6097 14.22265 2436.575   140.1243 2436.575   140.1243 ?          ?        492.6097 14.22265 ?        ?        ?         ?        
1 1 1 12 11 10 o 205.6119 6.483898 423.2095   26.66333 423.2095   26.66333 ?          ?        205.6119 6.483898 ?        ?        ?         ?        
1 1 1 12 11 11 o 290.3701 7.912611 844.7171   45.95170 844.7171   45.95170 ?          ?        290.3701 7.912611 ?        ?        ?         ?        
1 1 1 12 11 12 o 263.1279 7.546015 693.8140   39.71135 693.8140   39.71135 ?          ?        263.1279 7.546015 ?        ?        ?         ?        
1 1 1 12 11 13 o 184.1911 6.005962 339.8157   22.12490 339.8157   22.12490 ?          ?        184.1911 6.005962 ?        ?        ?         ?        
1 1 1 12 11 14 o 316.5026 8.155503 1006.399   51.62476 1006.399   51.62476 ?          ?        316.5026 8.155503 ?        ?        ?         ?        
1 1 1 12 11 15 o 127.8213 5.769744 163.9511   14.74993 163.9511   14.74993 ?          ?        127.8213 5.769744 ?        ?        ?         ?        
1 1 1 12 11 16 o 143.6652 6.318079 207.6336   18.15376 207.6336   18.15376 ?          ?        143.6652 6.318079 ?        ?        ?         ?        
1 1 1 12 11 17 o 195.8953 8.687882 390.3058   34.03830 390.3058   34.03830 ?          ?        195.8953 8.687882 ?        ?        ?         ?        
1 1 1 12 11 18 o 175.1300 9.070144 313.7196   31.76908 313.7196   31.76908 ?          ?        175.1300 9.070144 ?        ?        ?         ?        
1 1 1 12 12 0  o 465.3486 10.12918 2172.210   94.17262 2172.210   94.17262 2172.210   94.17262 465.3486 10.12918 465.3486 10.12918 -0.000000 0.000000 
1 1 1 12 12 1  o 258.6413 4.606149 669.4198   23.82681 669.4198   23.82681 ?          ?        258.6413 4.606149 ?        ?        ?         ?        
1 1 1 12 12 2  o 458.3872 7.116262 2104.701   65.24007 2104.701   65.24007 ?          ?        458.3872 7.116262 ?        ?        ?         ?        
1 1 1 12 12 3  o 36.80529 11.27227 13.61532   9.076880 13.61532   9.076880 ?          ?        36.80529 11.27227 ?        ?        ?         ?        
1 1 1 12 12 4  o 483.4186 7.451899 2341.268   72.04772 2341.268   72.04772 ?          ?        483.4186 7.451899 ?        ?        ?         ?        
1 1 1 12 12 5  f 290.8827 4.875719 846.9863   28.36525 846.9863   28.36525 ?          ?        290.8827 4.875719 ?        ?        ?         ?        
1 1 1 12 12 6  o 163.5739 5.202281 267.7679   17.01915 267.7679   17.01915 ?          ?        163.5739 5.202281 ?        ?        ?         ?        
1 1 1 12 12 7  o 473.1275 10.25190 2243.124   97.00916 2243.124   97.00916 ?          ?        473.1275 10.25190 ?        ?        ?         ?        
1 1 1 12 12 8  o 466.3253 11.92213 2180.153   111.1918 2180.153   111.1918 ?          ?        466.3253 11.92213 ?        ?        ?         ?        
1 1 1 12 12 9  o 618.3678 20.27505 3854.837   250.7488 3854.837   250.7488 ?          ?        618.3678 20.27505 ?        ?        ?         ?        
1 1 1 12 12 10 o 196.1644 6.362373 385.2001   24.96142 385.2001   24.96142 ?          ?        196.1644 6.362373 ?        ?        ?         ?        
1 1 1 12 12 11 o 69.74934 9.760180 48.78823   13.61532 48.78823   13.61532 ?          ?        69.74934 9.760180 ?        ?        ?         ?        
1 1 1 12 12 12 o 90.59637 7.827370 82.25922   14.18262 82.25922   14.18262 ?          ?        90.59637 7.827370 ?        ?        ?         ?        
1 1 1 12 12 13 o 144.3705 6.090737 208.7682   17.58645 208.7682   17.58645 ?          ?        144.3705 6.090737 ?        ?        ?         ?        
1 1 1 12 12 14 o 227.2260 6.740968 517.9495   30.63447 517.9495   30.63447 ?          ?        227.2260 6.740968 ?        ?        ?         ?        
1 1 1 12 12 15 o 222.7513 6.621702 498.6611   29.49986 498.6611   29.49986 ?          ?        222.7513 6.621702 ?        ?        ?         ?        
1 1 1 12 12 16 o 107.0592 5.563930 115.1629   11.91340 115.1629   11.91340 ?          ?        107.0592 5.563930 ?        ?        ?         ?        
1 1 1 12 12 17 o 75.64629 14.77598 61.83624   21.55759 61.83624   21.55759 ?          ?        75.64629 14.77598 ?        ?        ?         ?        
1 1 1 12 12 18 o 80.29102 22.89765 76.58617   38.57674 76.58617   38.57674 ?          ?        80.29102 22.89765 ?        ?        ?         ?        
1 1 1 12 13 0  o 235.6068 6.028365 556.5261   28.36525 556.5261   28.36525 556.5261   28.36525 235.6068 6.028365 235.6068 6.028365 -0.000000 0.000000 
1 1 1 12 13 1  o 30.61129 10.94686 7.942269   8.509575 7.942269   8.509575 ?          ?        30.61129 10.94686 ?        ?        ?         ?        
1 1 1 12 13 2  o 243.4072 4.311763 592.8337   20.99029 592.8337   20.99029 ?          ?        243.4072 4.311763 ?        ?        ?         ?        
1 1 1 12 13 3  o 84.50673 5.370507 71.48043   9.076880 71.48043   9.076880 ?          ?        84.50673 5.370507 ?        ?        ?         ?        
1 1 1 12 13 4  o 227.3849 4.366093 517.3821   19.85567 517.3821   19.85567 ?          ?        227.3849 4.366093 ?        ?        ?         ?        
1 1 1 12 13 5  o 295.6892 5.372039 875.3516   31.76908 875.3516   31.76908 ?          ?        295.6892 5.372039 ?        ?        ?         ?        
1 1 1 12 13 6  o 247.7423 5.953738 614.3914   29.49986 614.3914   29.49986 ?          ?        247.7423 5.953738 ?        ?        ?         ?        
1 1 1 12 13 7  o 566.4151 11.36783 3216.052   128.7782 3216.052   128.7782 ?          ?        566.4151 11.36783 ?        ?        ?         ?        
1 1 1 12 13 8  o 573.2042 14.54871 3298.878   166.7877 3298.878   166.7877 ?          ?        573.2042 14.54871 ?        ?        ?         ?        
1 1 1 12 13 9  f 648.3453 18.33134 4231.528   237.7008 4231.528   237.7008 ?          ?        648.3453 18.33134 ?        ?        ?         ?        
1 1 1 12 13 10 o 268.7150 8.128031 723.3138   43.68248 723.3138   43.68248 ?          ?        268.7150 8.128031 ?        ?        ?         ?        
1 1 1 12 13 11 o 182.8330 6.516001 334.7099   23.82681 334.7099   23.82681 ?          ?        182.8330 6.516001 ?        ?        ?         ?        
1 1 1 12 13 12 o 314.4596 7.937880 991.0818   49.92284 991.0818   49.92284 ?          ?        314.4596 7.937880 ?        ?        ?         ?        
1 1 1 12 13 13 o 335.2774 7.952619 1127.235   53.32666 1127.235   53.32666 ?          ?        335.2774 7.952619 ?        ?        ?         ?        
1 1 1 12 13 14 o 74.01665 8.047787 55.02858   11.91340 55.02858   11.91340 ?          ?        74.01665 8.047787 ?        ?        ?         ?        
1 1 1 12 13 15 o 194.8086 6.115439 381.2289   23.82681 381.2289   23.82681 ?          ?        194.8086 6.115439 ?        ?        ?         ?        
1 1 1 12 13 16 o 145.8512 13.61365 218.9797   39.71135 218.9797   39.71135 ?          ?        145.8512 13.61365 ?        ?        ?         ?        
1 1 1 12 13 17 o 51.66596 20.15564 20.99029   30.06716 20.99029   30.06716 ?          ?        51.66596 20.15564 ?        ?        ?         ?        
1 1 1 12 13 18 o 136.0311 9.591931 190.0471   26.09603 190.0471   26.09603 ?          ?        136.0311 9.591931 ?        ?        ?         ?        
1 1 1 12 14 0  o 99.38313 8.392210 100.9803   16.45185 100.9803   16.45185 100.9803   16.45185 99.38313 8.392210 99.38313 8.392210 -0.000000 0.000000 
1 1 1 12 14 1  o 183.9841 4.008479 338.6811   14.74993 338.6811   14.74993 ?          ?        183.9841 4.008479 ?        ?        ?         ?        
1 1 1 12 14 2  o 273.6519 4.768106 749.4099   26.09603 749.4099   26.09603 ?          ?        273.6519 4.768106 ?        ?        ?         ?        
1 1 1 12 14 3  f 193.5971 3.955956 374.9886   15.31723 374.9886   15.31723 ?          ?        193.5971 3.955956 ?        ?        ?         ?        
1 1 1 12 14 4  o 176.9082 4.008470 313.1523   14.18262 313.1523   14.18262 ?          ?        176.9082 4.008470 ?        ?        ?         ?        
1 1 1 12 14 5  o 320.2397 5.934529 1026.822   38.00943 1026.822   38.00943 ?          ?        320.2397 5.934529 ?        ?        ?         ?        
1 1 1 12 14 6  o 231.0647 5.646908 534.4012   26.09603 534.4012   26.09603 ?          ?        231.0647 5.646908 ?        ?        ?         ?        
1 1 1 12 14 7  o 631.5046 13.52000 4001.202   170.7588 4001.202   170.7588 ?          ?        631.5046 13.52000 ?        ?        ?         ?        
1 1 1 12 14 8  o 763.2741 21.51715 5880.683   328.4696 5880.683   328.4696 ?          ?        763.2741 21.51715 ?        ?        ?         ?        
1 1 1 12 14 9  o 361.8944 9.640729 1312.176   69.77851 1312.176   69.77851 ?          ?        361.8944 9.640729 ?        ?        ?         ?        
1 1 1 12 14 10 o 370.0652 9.581167 1372.878   70.91312 1372.878   70.91312 ?          ?        370.0652 9.581167 ?        ?        ?         ?        
1 1 1 12 14 11 o 296.4545 8.898391 881.0246   52.75936 881.0246   52.75936 ?          ?        296.4545 8.898391 ?        ?        ?         ?        
1 1 1 12 14 12 o 267.5481 6.997272 717.0735   37.44213 717.0735   37.44213 ?          ?        267.5481 6.997272 ?        ?        ?         ?        
1 1 1 12 14 13 o 125.4753 6.103687 157.7108   15.31723 157.7108   15.31723 ?          ?        125.4753 6.103687 ?        ?        ?         ?        
1 1 1 12 14 14 o 226.9962 6.622833 516.8148   30.06716 516.8148   30.06716 ?          ?        226.9962 6.622833 ?        ?        ?         ?        
1 1 1 12 14 15 o 97.08439 6.427764 94.73994   12.48071 94.73994   12.48071 ?          ?        97.08439 6.427764 ?        ?        ?         ?        
1 1 1 12 14 16 o 245.8985 9.343632 613.2567   45.95170 613.2567   45.95170 ?          ?        245.8985 9.343632 ?        ?        ?         ?        
1 1 1 12 14 17 o 128.2877 9.507585 167.9223   24.39412 167.9223   24.39412 ?          ?        128.2877 9.507585 ?        ?        ?         ?        
1 1 1 12 14 18 o 40.84106 17.28338 5.105744   24.39412 5.105744   24.39412 ?          ?        40.84106 17.28338 ?        ?        ?         ?        
1 1 1 12 15 0  o 292.8971 6.981558 860.0343   40.84595 860.0343   40.84595 860.0343   40.84595 292.8971 6.981558 292.8971 6.981558 -0.000000 0.000000 
1 1 1 12 15 1  o 144.4479 4.123772 208.7682   11.91340 208.7682   11.91340 ?          ?        144.4479 4.123772 ?        ?        ?         ?        
1 1 1 12 15 2  o 241.6461 4.577955 584.3241   22.12490 584.3241   22.12490 ?          ?        241.6461 4.577955 ?        ?        ?         ?        
1 1 1 12 15 3  o 176.1105 4.026626 310.3158   14.18262 310.3158   14.18262 ?          ?        176.1105 4.026626 ?        ?        ?         ?        
1 1 1 12 15 4  o 120.4458 5.181046 145.2301   12.48071 145.2301   12.48071 ?          ?        120.4458 5.181046 ?        ?        ?         ?        
1 1 1 12 15 5  o 297.4543 5.340160 885.5631   31.76908 885.5631   31.76908 ?          ?        297.4543 5.340160 ?        ?        ?         ?        
1 1 1 12 15 6  f 387.3914 8.127548 1503.358   62.97085 1503.358   62.97085 ?          ?        387.3914 8.127548 ?        ?        ?         ?        
1 1 1 12 15 7  o 625.7142 13.37312 3927.452   167.3549 3927.452   167.3549 ?          ?        625.7142 13.37312 ?        ?        ?         ?        
1 1 1 12 15 8  o 192.3954 6.044714 370.4502   23.25950 370.4502   23.25950 ?          ?        192.3954 6.044714 ?        ?        ?         ?        
1 1 1 12 15 9  o 184.1071 6.316839 339.2484   23.25950 339.2484   23.25950 ?          ?        184.1071 6.316839 ?        ?        ?         ?        
1 1 1 12 15 10 o 290.0406 8.606179 843.0153   49.92284 843.0153   49.92284 ?          ?        290.0406 8.606179 ?        ?        ?         ?        
1 1 1 12 15 11 o 126.8254 7.156987 161.1146   18.15376 161.1146   18.15376 ?          ?        126.8254 7.156987 ?        ?        ?         ?        
1 1 1 12 15 12 o 77.80352 8.749809 60.70163   13.61532 60.70163   13.61532 ?          ?        77.80352 8.749809 ?        ?        ?         ?        
1 1 1 12 15 13 o 456.3398 13.05322 2100.163   119.1340 2100.163   119.1340 ?          ?        456.3398 13.05322 ?        ?        ?         ?        
1 1 1 12 15 14 o 100.3430 6.501706 100.9803   13.04801 100.9803   13.04801 ?          ?        100.3430 6.501706 ?        ?        ?         ?        
1 1 1 12 15 15 o 213.3014 8.377868 458.9497   35.74022 458.9497   35.74022 ?          ?        213.3014 8.377868 ?        ?        ?         ?        
1 1 1 12 15 16 o 151.5618 9.544805 233.1623   28.93255 233.1623   28.93255 ?          ?        151.5618 9.544805 ?        ?        ?         ?        
1 1 1 12 15 17 o 96.79543 12.30782 97.00916   23.82681 97.00916   23.82681 ?          ?        96.79543 12.30782 ?        ?        ?         ?        
1 1 1 12 15 18 o 49.04134 18.22235 22.69220   23.82681 22.69220   23.82681 ?          ?        49.04134 18.22235 ?        ?        ?         ?        
1 1 1 12 16 0  o 396.0146 10.40177 1574.271   82.25922 1574.271   82.25922 1574.271   82.25922 396.0146 10.40177 396.0146 10.40177 -0.000000 0.000000 
1 1 1 12 16 1  o 323.2911 5.264341 1046.110   34.03830 1046.110   34.03830 ?          ?        323.2911 5.264341 ?        ?        ?         ?        
1 1 1 12 16 2  o 358.0301 5.783489 1283.244   41.41326 1283.244   41.41326 ?          ?        358.0301 5.783489 ?        ?        ?         ?        
1 1 1 12 16 3  o 214.8254 4.225236 461.7863   18.15376 461.7863   18.15376 ?          ?        214.8254 4.225236 ?        ?        ?         ?        
1 1 1 12 16 4  o 185.4952 4.281657 344.3541   15.88454 344.3541   15.88454 ?          ?        185.4952 4.281657 ?        ?        ?         ?        
1 1 1 12 16 5  o 277.9778 4.897988 773.2368   27.23064 773.2368   27.23064 ?          ?        277.9778 4.897988 ?        ?        ?         ?        
1 1 1 12 16 6  o 139.2550 4.684937 194.0183   13.04801 194.0183   13.04801 ?          ?        139.2550 4.684937 ?        ?        ?         ?        
1 1 1 12 16 7  o 592.5014 12.63866 3520.127   149.7685 3520.127   149.7685 ?          ?        592.5014 12.63866 ?        ?        ?         ?        
1 1 1 12 16 8  o 239.0396 5.933169 571.8434   28.36525 571.8434   28.36525 ?          ?        239.0396 5.933169 ?        ?        ?         ?        
1 1 1 12 16 9  o 172.0192 5.771353 296.1332   19.85567 296.1332   19.85567 ?          ?        172.0192 5.771353 ?        ?        ?         ?        
1 1 1 12 16 10 o 290.4031 11.03732 846.4190   64.10546 846.4190   64.10546 ?          ?        290.4031 11.03732 ?        ?        ?         ?        
1 1 1 12 16 11 o 304.8036 7.724042 930.9475   47.08631 930.9475   47.08631 ?          ?        304.8036 7.724042 ?        ?        ?         ?        
1 1 1 12 16 12 o 221.0371 7.443025 489.5842   32.90369 489.5842   32.90369 ?          ?        221.0371 7.443025 ?        ?        ?         ?        
1 1 1 12 16 13 o 245.8317 6.923090 605.8817   34.03830 605.8817   34.03830 ?          ?        245.8317 6.923090 ?        ?        ?         ?        
1 1 1 12 16 14 f 157.0836 5.778374 247.3450   18.15376 247.3450   18.15376 ?          ?        157.0836 5.778374 ?        ?        ?         ?        
1 1 1 12 16 15 f 270.9960 9.210993 742.0349   49.92284 742.0349   49.92284 ?          ?        270.9960 9.210993 ?        ?        ?         ?        
1 1 1 12 16 16 o 109.1627 10.65359 121.4033   23.25950 121.4033   23.25950 ?          ?        109.1627 10.65359 ?        ?        ?         ?        
1 1 1 12 16 17 o 39.96019 17.21377 1.134610   24.96142 1.134610   24.96142 ?          ?        39.96019 17.21377 ?        ?        ?         ?        
1 1 1 12 16 18 o 122.7118 10.63306 156.0089   26.09603 156.0089   26.09603 ?          ?        122.7118 10.63306 ?        ?        ?         ?        
1 1 1 12 17 0  o 519.5363 11.14927 2708.314   115.7302 2708.314   115.7302 2708.314   115.7302 519.5363 11.14927 519.5363 11.14927 -0.000000 0.000000 
1 1 1 12 17 1  o 204.8382 4.015814 419.8057   16.45185 419.8057   16.45185 ?          ?        204.8382 4.015814 ?        ?        ?         ?        
1 1 1 12 17 2  o 154.3008 4.779602 238.2681   14.74993 238.2681   14.74993 ?          ?        154.3008 4.779602 ?        ?        ?         ?        
1 1 1 12 17 3  o 239.0404 4.509194 571.8434   21.55759 571.8434   21.55759 ?          ?        239.0404 4.509194 ?        ?        ?         ?        
1 1 1 12 17 4  o 397.6413 7.276044 1584.483   57.86510 1584.483   57.86510 ?          ?        397.6413 7.276044 ?        ?        ?         ?        
1 1 1 12 17 5  f 340.5267 7.163641 1161.273   48.78823 1161.273   48.78823 ?          ?        340.5267 7.163641 ?        ?        ?         ?        
1 1 1 12 17 6  o 569.2478 12.40751 3250.658   141.2589 3250.658   141.2589 ?          ?        569.2478 12.40751 ?        ?        ?         ?        
1 1 1 12 17 7  o 219.9276 5.287991 483.9111   23.25950 483.9111   23.25950 ?          ?        219.9276 5.287991 ?        ?        ?         ?        
1 1 1 12 17 8  o 500.7885 11.78136 2515.430   117.9994 2515.430   117.9994 ?          ?        500.7885 11.78136 ?        ?        ?         ?        
1 1 1 12 17 9  o 145.2189 5.469171 211.0374   15.88454 211.0374   15.88454 ?          ?        145.2189 5.469171 ?        ?        ?         ?        
1 1 1 12 17 10 o 437.2865 16.02203 1927.135   140.1243 1927.135   140.1243 ?          ?        437.2865 16.02203 ?        ?        ?         ?        
1 1 1 12 17 11 f 315.3962 10.16269 998.4568   64.10546 998.4568   64.10546 ?          ?        315.3962 10.16269 ?        ?        ?         ?        
1 1 1 12 17 12 f 123.8769 6.869382 153.7396   17.01915 153.7396   17.01915 ?          ?        123.8769 6.869382 ?        ?        ?         ?        
1 1 1 12 17 13 o 326.3909 8.342952 1069.370   54.46128 1069.370   54.46128 ?          ?        326.3909 8.342952 ?        ?        ?         ?        
1 1 1 12 17 14 o 415.0938 10.18185 1737.088   84.52843 1737.088   84.52843 ?          ?        415.0938 10.18185 ?        ?        ?         ?        
1 1 1 12 17 15 o 143.7364 9.275082 208.7682   26.66333 208.7682   26.66333 ?          ?        143.7364 9.275082 ?        ?        ?         ?        
1 1 1 12 17 16 f 146.5634 10.06386 218.4124   29.49986 218.4124   29.49986 ?          ?        146.5634 10.06386 ?        ?        ?         ?        
1 1 1 12 17 17 o 53.39199 18.39236 29.49986   23.82681 29.49986   23.82681 ?          ?        53.39199 18.39236 ?        ?        ?         ?        
1 1 1 12 17 18 o 132.8516 10.46203 182.6722   27.79794 182.6722   27.79794 ?          ?        132.8516 10.46203 ?        ?        ?         ?        
1 1 1 12 18 0  f 284.5315 7.187926 811.8134   40.84595 811.8134   40.84595 811.8134   40.84595 284.5315 7.187926 284.5315 7.187926 -0.000000 0.000000 
1 1 1 12 18 1  o 111.6693 5.080221 124.8071   11.34610 124.8071   11.34610 ?          ?        111.6693 5.080221 ?        ?        ?         ?        
1 1 1 12 18 2  o 347.1752 5.637505 1206.658   39.14404 1206.658   39.14404 ?          ?        347.1752 5.637505 ?        ?        ?         ?        
1 1 1 12 18 3  o 106.7330 4.783661 114.0283   10.21149 114.0283   10.21149 ?          ?        106.7330 4.783661 ?        ?        ?         ?        
1 1 1 12 18 4  o 357.8759 5.706720 1282.109   40.84595 1282.109   40.84595 ?          ?        357.8759 5.706720 ?        ?        ?         ?        
1 1 1 12 18 5  o 317.1141 6.798054 1006.966   43.11518 1006.966   43.11518 ?          ?        317.1141 6.798054 ?        ?        ?         ?        
1 1 1 12 18 6  o 171.0532 4.974812 292.7294   17.01915 292.7294   17.01915 ?          ?        171.0532 4.974812 ?        ?        ?         ?        
1 1 1 12 18 7  o 158.3151 5.016748 250.7488   15.88454 250.7488   15.88454 ?          ?        158.3151 5.016748 ?        ?        ?         ?        
1 1 1 12 18 8  o 696.3293 19.71593 4887.332   274.5756 4887.332   274.5756 ?          ?        696.3293 19.71593 ?        ?        ?         ?        
1 1 1 12 18 9  o 350.4111 10.19951 1231.052   71.48043 1231.052   71.48043 ?          ?        350.4111 10.19951 ?        ?        ?         ?        
1 1 1 12 18 10 o 400.0679 12.69130 1608.310   101.5476 1608.310   101.5476 ?          ?        400.0679 12.69130 ?        ?        ?         ?        
1 1 1 12 18 11 o 249.1686 7.968772 622.3336   39.71135 622.3336   39.71135 ?          ?        249.1686 7.968772 ?        ?        ?         ?        
1 1 1 12 18 12 o 417.1672 10.13124 1747.867   84.52843 1747.867   84.52843 ?          ?        417.1672 10.13124 ?        ?        ?         ?        
1 1 1 12 18 13 o 451.0540 11.82268 2050.240   106.6533 2050.240   106.6533 ?          ?        451.0540 11.82268 ?        ?        ?         ?        
1 1 1 12 18 14 o 318.4659 8.105224 1020.014   51.62476 1020.014   51.62476 ?          ?        318.4659 8.105224 ?        ?        ?         ?        
1 1 1 12 18 15 o 116.5449 10.95232 137.8551   25.52872 137.8551   25.52872 ?          ?        116.5449 10.95232 ?        ?        ?         ?        
1 1 1 12 18 16 o 79.70611 15.49975 68.07660   23.82681 68.07660   23.82681 ?          ?        79.70611 15.49975 ?        ?        ?         ?        
1 1 1 12 18 17 o 70.68442 18.00434 56.16319   25.52872 56.16319   25.52872 ?          ?        70.68442 18.00434 ?        ?        ?         ?        
1 1 1 12 18 18 o 97.29311 13.11949 99.84568   25.52872 99.84568   25.52872 ?          ?        97.29311 13.11949 ?        ?        ?         ?        
1 1 1 12 19 0  o 148.0678 6.540826 220.6816   19.28837 220.6816   19.28837 220.6816   19.28837 148.0678 6.540826 148.0678 6.540826 -0.000000 0.000000 
1 1 1 12 19 1  o 204.4003 4.579510 418.1037   18.72106 418.1037   18.72106 ?          ?        204.4003 4.579510 ?        ?        ?         ?        
1 1 1 12 19 2  o 120.9239 4.925992 146.3647   11.91340 146.3647   11.91340 ?          ?        120.9239 4.925992 ?        ?        ?         ?        
1 1 1 12 19 3  o 377.6398 7.661414 1429.609   57.86510 1429.609   57.86510 ?          ?        377.6398 7.661414 ?        ?        ?         ?        
1 1 1 12 19 4  o 326.5178 5.646678 1067.101   36.87482 1067.101   36.87482 ?          ?        326.5178 5.646678 ?        ?        ?         ?        
1 1 1 12 19 5  o 159.9092 4.611969 255.8545   14.74993 255.8545   14.74993 ?          ?        159.9092 4.611969 ?        ?        ?         ?        
1 1 1 12 19 6  o 421.6494 9.485368 1780.770   79.99000 1780.770   79.99000 ?          ?        421.6494 9.485368 ?        ?        ?         ?        
1 1 1 12 19 7  o 288.5987 8.059462 833.9382   46.51900 833.9382   46.51900 ?          ?        288.5987 8.059462 ?        ?        ?         ?        
1 1 1 12 19 8  o 594.7355 12.78196 3548.492   152.0377 3548.492   152.0377 ?          ?        594.7355 12.78196 ?        ?        ?         ?        
1 1 1 12 19 9  o 141.4440 6.216757 200.2587   17.58645 200.2587   17.58645 ?          ?        141.4440 6.216757 ?        ?        ?         ?        
1 1 1 12 19 10 o 93.09122 7.312891 86.79766   13.61532 86.79766   13.61532 ?          ?        93.09122 7.312891 ?        ?        ?         ?        
1 1 1 12 19 11 o 85.70694 10.25964 73.74965   17.58645 73.74965   17.58645 ?          ?        85.70694 10.25964 ?        ?        ?         ?        
1 1 1 12 19 12 o 135.4179 7.121793 183.8068   19.28837 183.8068   19.28837 ?          ?        135.4179 7.121793 ?        ?        ?         ?        
1 1 1 12 19 13 o 99.75018 7.677797 99.84568   15.31723 99.84568   15.31723 ?          ?        99.75018 7.677797 ?        ?        ?         ?        
1 1 1 12 19 14 o 178.2473 6.206237 318.8254   22.12490 318.8254   22.12490 ?          ?        178.2473 6.206237 ?        ?        ?         ?        
1 1 1 12 19 15 o 182.7126 9.159467 337.5464   33.47099 337.5464   33.47099 ?          ?        182.7126 9.159467 ?        ?        ?         ?        
1 1 1 12 19 16 o 382.7757 11.70845 1499.387   89.63419 1499.387   89.63419 ?          ?        382.7757 11.70845 ?        ?        ?         ?        
1 1 1 12 19 17 o 86.84667 15.94661 82.25922   26.66333 82.25922   26.66333 ?          ?        86.84667 15.94661 ?        ?        ?         ?        
1 1 1 12 19 18 o 115.7339 12.00942 140.1243   27.79794 140.1243   27.79794 ?          ?        115.7339 12.00942 ?        ?        ?         ?        
1 1 1 12 20 0  o 28.68285 16.04670 11.34610   13.61532 11.34610   13.61532 11.34610   13.61532 28.68285 16.04670 28.68285 16.04670 -0.000000 0.000000 
1 1 1 12 20 1  o 329.8378 5.503844 1089.226   36.30752 1089.226   36.30752 ?          ?        329.8378 5.503844 ?        ?        ?         ?        
1 1 1 12 20 2  o 300.8236 5.186057 905.9860   31.20177 905.9860   31.20177 ?          ?        300.8236 5.186057 ?        ?        ?         ?        
1 1 1 12 20 3  o 452.4177 6.959372 2050.240   62.97085 2050.240   62.97085 ?          ?        452.4177 6.959372 ?        ?        ?         ?        
1 1 1 12 20 4  o 440.9789 9.712829 1949.827   85.66305 1949.827   85.66305 ?          ?        440.9789 9.712829 ?        ?        ?         ?        
1 1 1 12 20 5  o 471.6343 11.18650 2230.643   105.5187 2230.643   105.5187 ?          ?        471.6343 11.18650 ?        ?        ?         ?        
1 1 1 12 20 6  o 153.7717 5.164976 236.5662   15.88454 236.5662   15.88454 ?          ?        153.7717 5.164976 ?        ?        ?         ?        
1 1 1 12 20 7  o 245.3713 5.664466 602.4778   27.79794 602.4778   27.79794 ?          ?        245.3713 5.664466 ?        ?        ?         ?        
1 1 1 12 20 8  f 538.9630 13.73625 2915.948   148.0666 2915.948   148.0666 ?          ?        538.9630 13.73625 ?        ?        ?         ?        
1 1 1 12 20 9  f 410.9882 9.248303 1692.838   76.01886 1692.838   76.01886 ?          ?        410.9882 9.248303 ?        ?        ?         ?        
1 1 1 12 20 10 o 424.8707 9.747262 1810.270   82.82652 1810.270   82.82652 ?          ?        424.8707 9.747262 ?        ?        ?         ?        
1 1 1 12 20 11 o 373.9424 10.01281 1403.512   74.88425 1403.512   74.88425 ?          ?        373.9424 10.01281 ?        ?        ?         ?        
1 1 1 12 20 12 f 151.9687 6.906123 231.4604   20.99029 231.4604   20.99029 ?          ?        151.9687 6.906123 ?        ?        ?         ?        
1 1 1 12 20 13 o 471.8281 12.32414 2248.229   116.2975 2248.229   116.2975 ?          ?        471.8281 12.32414 ?        ?        ?         ?        
1 1 1 12 20 14 o 305.5763 8.725590 940.0243   53.32666 940.0243   53.32666 ?          ?        305.5763 8.725590 ?        ?        ?         ?        
1 1 1 12 20 15 o 38.86545 16.56677 1.134610   22.69220 1.134610   22.69220 ?          ?        38.86545 16.56677 ?        ?        ?         ?        
1 1 1 12 20 16 o 171.6987 8.920998 298.9697   30.63447 298.9697   30.63447 ?          ?        171.6987 8.920998 ?        ?        ?         ?        
1 1 1 12 20 17 o 101.0985 13.18681 106.6533   26.66333 106.6533   26.66333 ?          ?        101.0985 13.18681 ?        ?        ?         ?        
1 1 1 12 20 18 o 90.26828 14.76894 87.36497   26.66333 87.36497   26.66333 ?          ?        90.26828 14.76894 ?        ?        ?         ?        
1 1 1 12 21 0  o 70.68432 12.24620 53.89397   15.88454 53.89397   15.88454 53.89397   15.88454 70.68432 12.24620 70.68432 12.24620 -0.000000 0.000000 
1 1 1 12 21 1  o 271.2141 5.020139 736.3619   27.23064 736.3619   27.23064 ?          ?        271.2141 5.020139 ?        ?        ?         ?        
1 1 1 12 21 2  o 430.5896 10.80356 1862.462   93.03801 1862.462   93.03801 ?          ?        430.5896 10.80356 ?        ?        ?         ?        
1 1 1 12 21 3  f 360.6170 7.472466 1302.532   53.89397 1302.532   53.89397 ?          ?        360.6170 7.472466 ?        ?        ?         ?        
1 1 1 12 21 4  o 261.6483 5.962540 685.3044   31.20177 685.3044   31.20177 ?          ?        261.6483 5.962540 ?        ?        ?         ?        
1 1 1 12 21 5  o 36.99593 12.69699 12.48071   11.34610 12.48071   11.34610 ?          ?        36.99593 12.69699 ?        ?        ?         ?        
1 1 1 12 21 6  o 242.0511 8.437466 586.5934   40.84595 586.5934   40.84595 ?          ?        242.0511 8.437466 ?        ?        ?         ?        
1 1 1 12 21 7  f 167.3413 5.932687 280.2487   19.85567 280.2487   19.85567 ?          ?        167.3413 5.932687 ?        ?        ?         ?        
1 1 1 12 21 8  o 233.2708 6.201493 544.6128   28.93255 544.6128   28.93255 ?          ?        233.2708 6.201493 ?        ?        ?         ?        
1 1 1 12 21 9  o 315.9818 7.899638 1000.159   49.92284 1000.159   49.92284 ?          ?        315.9818 7.899638 ?        ?        ?         ?        
1 1 1 12 21 10 o 378.1126 8.702087 1433.012   65.80738 1433.012   65.80738 ?          ?        378.1126 8.702087 ?        ?        ?         ?        
1 1 1 12 21 11 o 705.4919 17.93203 5034.832   253.0180 5034.832   253.0180 ?          ?        705.4919 17.93203 ?        ?        ?         ?        
1 1 1 12 21 12 o 131.8043 7.532255 174.1626   19.85567 174.1626   19.85567 ?          ?        131.8043 7.532255 ?        ?        ?         ?        
1 1 1 12 21 13 o 203.8271 7.236491 416.9691   29.49986 416.9691   29.49986 ?          ?        203.8271 7.236491 ?        ?        ?         ?        
1 1 1 12 21 14 o 132.4119 5.783935 175.8645   15.31723 175.8645   15.31723 ?          ?        132.4119 5.783935 ?        ?        ?         ?        
1 1 1 12 21 15 o 183.6450 8.649591 340.9503   31.76908 340.9503   31.76908 ?          ?        183.6450 8.649591 ?        ?        ?         ?        
1 1 1 12 21 16 o 172.6678 9.199478 302.9409   31.76908 302.9409   31.76908 ?          ?        172.6678 9.199478 ?        ?        ?         ?        
1 1 1 12 21 17 f 59.71231 19.24582 39.14404   26.09603 39.14404   26.09603 ?          ?        59.71231 19.24582 ?        ?        ?         ?        
1 1 1 12 21 18 o 151.7475 11.02851 239.9700   33.47099 239.9700   33.47099 ?          ?        151.7475 11.02851 ?        ?        ?         ?        
1 1 1 12 22 0  o 86.75113 15.89358 82.25922   24.96142 82.25922   24.96142 82.25922   24.96142 86.75113 15.89358 86.75113 15.89358 -0.000000 0.000000 
1 1 1 12 22 1  o 269.4803 6.315546 727.2849   34.03830 727.2849   34.03830 ?          ?        269.4803 6.315546 ?        ?        ?         ?        
1 1 1 12 22 2  o 323.7693 6.220271 1049.514   40.27865 1049.514   40.27865 ?          ?        323.7693 6.220271 ?        ?        ?         ?        
1 1 1 12 22 3  o 277.4325 7.668150 770.9675   42.54787 770.9675   42.54787 ?          ?        277.4325 7.668150 ?        ?        ?         ?        
1 1 1 12 22 4  o 431.3385 12.69187 1868.135   109.4899 1868.135   109.4899 ?          ?        431.3385 12.69187 ?        ?        ?         ?        
1 1 1 12 22 5  o 749.1599 21.24100 5658.867   318.2581 5658.867   318.2581 ?          ?        749.1599 21.24100 ?        ?        ?         ?        
1 1 1 12 22 6  o 259.8039 7.533382 675.6602   39.14404 675.6602   39.14404 ?          ?        259.8039 7.533382 ?        ?        ?         ?        
1 1 1 12 22 7  o 673.4425 13.60469 4553.190   183.2395 4553.190   183.2395 ?          ?        673.4425 13.60469 ?        ?        ?         ?        
1 1 1 12 22 8  o 260.3525 6.428015 678.4968   33.47099 678.4968   33.47099 ?          ?        260.3525 6.428015 ?        ?        ?         ?        
1 1 1 12 22 9  o 464.9720 11.89582 2171.076   110.6245 2171.076   110.6245 ?          ?        464.9720 11.89582 ?        ?        ?         ?        
1 1 1 12 22 10 o 552.6802 13.03606 3071.389   144.0954 3071.389   144.0954 ?          ?        552.6802 13.03606 ?        ?        ?         ?        
1 1 1 12 22 11 o 289.3902 7.253280 839.0439   41.98057 839.0439   41.98057 ?          ?        289.3902 7.253280 ?        ?        ?         ?        
1 1 1 12 22 12 o 133.0810 7.673140 177.5665   20.42298 177.5665   20.42298 ?          ?        133.0810 7.673140 ?        ?        ?         ?        
1 1 1 12 22 13 o 171.6730 6.443905 295.5659   22.12490 295.5659   22.12490 ?          ?        171.6730 6.443905 ?        ?        ?         ?        
1 1 1 12 22 14 o 220.8725 6.678028 490.1515   29.49986 490.1515   29.49986 ?          ?        220.8725 6.678028 ?        ?        ?         ?        
1 1 1 12 22 15 o 301.7781 9.775346 923.5726   58.99971 923.5726   58.99971 ?          ?        301.7781 9.775346 ?        ?        ?         ?        
1 1 1 12 22 16 o 153.1169 9.447862 238.8354   28.93255 238.8354   28.93255 ?          ?        153.1169 9.447862 ?        ?        ?         ?        
1 1 1 12 22 17 o 100.7444 13.51471 106.6533   27.23064 106.6533   27.23064 ?          ?        100.7444 13.51471 ?        ?        ?         ?        
1 1 1 12 22 18 o 73.48862 19.67450 63.53815   29.49986 63.53815   29.49986 ?          ?        73.48862 19.67450 ?        ?        ?         ?        
1 1 1 12 23 0  f 227.0636 6.884656 517.3821   31.20177 517.3821   31.20177 517.3821   31.20177 227.0636 6.884656 227.0636 6.884656 -0.000000 0.000000 
1 1 1 12 23 1  o 430.6556 7.706237 1857.924   66.37468 1857.924   66.37468 ?          ?        430.6556 7.706237 ?        ?        ?         ?        
1 1 1 12 23 2  o 319.8671 5.409373 1023.985   34.60560 1023.985   34.60560 ?          ?        319.8671 5.409373 ?        ?        ?         ?        
1 1 1 12 23 3  o 181.0189 4.857630 327.9023   17.58645 327.9023   17.58645 ?          ?        181.0189 4.857630 ?        ?        ?         ?        
1 1 1 12 23 4  o 263.4032 6.245880 694.3813   32.90369 694.3813   32.90369 ?          ?        263.4032 6.245880 ?        ?        ?         ?        
1 1 1 12 23 5  o 591.1294 12.76397 3504.243   150.9031 3504.243   150.9031 ?          ?        591.1294 12.76397 ?        ?        ?         ?        
1 1 1 12 23 6  o 449.0829 9.284904 2020.173   83.39383 2020.173   83.39383 ?          ?        449.0829 9.284904 ?        ?        ?         ?        
1 1 1 12 23 7  o 521.7018 11.36346 2728.737   118.5667 2728.737   118.5667 ?          ?        521.7018 11.36346 ?        ?        ?         ?        
1 1 1 12 23 8  o 167.6762 5.751673 281.3832   19.28837 281.3832   19.28837 ?          ?        167.6762 5.751673 ?        ?        ?         ?        
1 1 1 12 23 9  o 171.3371 5.794330 293.8640   19.85567 293.8640   19.85567 ?          ?        171.3371 5.794330 ?        ?        ?         ?        
1 1 1 12 23 10 o 263.1696 8.622654 694.3813   45.38440 694.3813   45.38440 ?          ?        263.1696 8.622654 ?        ?        ?         ?        
1 1 1 12 23 11 o 527.9460 12.62598 2803.621   133.3167 2803.621   133.3167 ?          ?        527.9460 12.62598 ?        ?        ?         ?        
1 1 1 12 23 12 o 27.45222 12.45109 -8.509575  14.74993 -8.509575  14.74993 ?          ?        27.45222 12.45109 ?        ?        ?         ?        
1 1 1 12 23 13 o 159.8708 6.919616 256.4218   22.12490 256.4218   22.12490 ?          ?        159.8708 6.919616 ?        ?        ?         ?        
1 1 1 12 23 14 o 279.4782 8.525461 787.9866   47.65361 787.9866   47.65361 ?          ?        279.4782 8.525461 ?        ?        ?         ?        
1 1 1 12 23 15 o 212.9098 8.526502 458.3824   36.30752 458.3824   36.30752 ?          ?        212.9098 8.526502 ?        ?        ?         ?        
1 1 1 12 23 16 o 106.6798 10.90155 116.8648   23.25950 116.8648   23.25950 ?          ?        106.6798 10.90155 ?        ?        ?         ?        
1 1 1 12 23 17 o 123.5326 12.16973 158.8454   30.06716 158.8454   30.06716 ?          ?        123.5326 12.16973 ?        ?        ?         ?        
1 1 1 12 23 18 o 195.8618 9.847947 396.5462   38.57674 396.5462   38.57674 ?          ?        195.8618 9.847947 ?        ?        ?         ?        
1 1 1 12 24 0  o 538.8548 11.59272 2913.111   124.8071 2913.111   124.8071 2913.111   124.8071 538.8548 11.59272 538.8548 11.59272 -0.000000 0.000000 
1 1 1 12 24 1  o 327.2248 6.934744 1072.206   45.38440 1072.206   45.38440 ?          ?        327.2248 6.934744 ?        ?        ?         ?        
1 1 1 12 24 2  o 444.2789 9.257611 1978.760   82.25922 1978.760   82.25922 ?          ?        444.2789 9.257611 ?        ?        ?         ?        
1 1 1 12 24 3  o 439.8312 9.093262 1938.481   79.99000 1938.481   79.99000 ?          ?        439.8312 9.093262 ?        ?        ?         ?        
1 1 1 12 24 4  o 484.9874 10.64456 2357.152   103.2495 2357.152   103.2495 ?          ?        484.9874 10.64456 ?        ?        ?         ?        
1 1 1 12 24 5  o 316.3046 6.905129 1001.293   43.68248 1001.293   43.68248 ?          ?        316.3046 6.905129 ?        ?        ?         ?        
1 1 1 12 24 6  o 418.0007 8.753853 1750.136   73.18234 1750.136   73.18234 ?          ?        418.0007 8.753853 ?        ?        ?         ?        
1 1 1 12 24 7  o 529.3307 11.46762 2809.294   121.4033 2809.294   121.4033 ?          ?        529.3307 11.46762 ?        ?        ?         ?        
1 1 1 12 24 8  o 648.3486 16.40625 4232.095   212.7394 4232.095   212.7394 ?          ?        648.3486 16.40625 ?        ?        ?         ?        
1 1 1 12 24 9  o 403.2846 11.39436 1632.704   91.90340 1632.704   91.90340 ?          ?        403.2846 11.39436 ?        ?        ?         ?        
1 1 1 12 24 10 o 340.5542 9.328641 1163.543   63.53815 1163.543   63.53815 ?          ?        340.5542 9.328641 ?        ?        ?         ?        
1 1 1 12 24 11 o 528.0515 11.76398 2803.621   124.2398 2803.621   124.2398 ?          ?        528.0515 11.76398 ?        ?        ?         ?        
1 1 1 12 24 12 o 307.2377 8.216788 947.3992   50.49014 947.3992   50.49014 ?          ?        307.2377 8.216788 ?        ?        ?         ?        
1 1 1 12 24 13 o 514.4678 16.26486 2695.833   167.3549 2695.833   167.3549 ?          ?        514.4678 16.26486 ?        ?        ?         ?        
1 1 1 12 24 14 o 179.6918 6.314201 324.4984   22.69220 324.4984   22.69220 ?          ?        179.6918 6.314201 ?        ?        ?         ?        
1 1 1 12 24 15 o 34.85938 10.51800 12.48071   7.942269 12.48071   7.942269 ?          ?        34.85938 10.51800 ?        ?        ?         ?        
1 1 1 12 24 16 o 35.15446 16.07422 -14.74993  25.52872 -14.74993  25.52872 ?          ?        35.15446 16.07422 ?        ?        ?         ?        
1 1 1 12 24 17 o 214.0201 9.012412 468.5939   38.57674 468.5939   38.57674 ?          ?        214.0201 9.012412 ?        ?        ?         ?        
1 1 1 12 25 0  o 337.7458 14.92793 1151.062   100.4130 1151.062   100.4130 1151.062   100.4130 337.7458 14.92793 337.7458 14.92793 -0.000000 0.000000 
1 1 1 12 25 1  o 694.1602 13.97504 4845.919   194.0183 4845.919   194.0183 ?          ?        694.1602 13.97504 ?        ?        ?         ?        
1 1 1 12 25 2  o 348.9001 7.560813 1219.138   52.75936 1219.138   52.75936 ?          ?        348.9001 7.560813 ?        ?        ?         ?        
1 1 1 12 25 3  o 868.6902 18.51419 7599.050   321.6619 7599.050   321.6619 ?          ?        868.6902 18.51419 ?        ?        ?         ?        
1 1 1 12 25 4  o 247.3301 6.078347 612.1221   30.06716 612.1221   30.06716 ?          ?        247.3301 6.078347 ?        ?        ?         ?        
1 1 1 12 25 5  o 650.1719 15.13868 4244.576   196.8548 4244.576   196.8548 ?          ?        650.1719 15.13868 ?        ?        ?         ?        
1 1 1 12 25 6  o 623.1697 14.52014 3901.356   180.9703 3901.356   180.9703 ?          ?        623.1697 14.52014 ?        ?        ?         ?        
1 1 1 12 25 7  o 710.3812 17.92840 5081.917   254.7199 5081.917   254.7199 ?          ?        710.3812 17.92840 ?        ?        ?         ?        
1 1 1 12 25 8  o 705.7018 17.84631 5021.784   251.8834 5021.784   251.8834 ?          ?        705.7018 17.84631 ?        ?        ?         ?        
1 1 1 12 25 9  o 253.4739 6.602453 643.3238   33.47099 643.3238   33.47099 ?          ?        253.4739 6.602453 ?        ?        ?         ?        
1 1 1 12 25 10 o 387.7063 9.657344 1508.464   74.88425 1508.464   74.88425 ?          ?        387.7063 9.657344 ?        ?        ?         ?        
1 1 1 12 25 11 o 272.2066 7.085930 742.6021   38.57674 742.6021   38.57674 ?          ?        272.2066 7.085930 ?        ?        ?         ?        
1 1 1 12 25 12 o 157.0790 6.681441 247.3450   20.99029 247.3450   20.99029 ?          ?        157.0790 6.681441 ?        ?        ?         ?        
1 1 1 12 25 13 o 56.43755 15.58083 33.47099   18.15376 33.47099   18.15376 ?          ?        56.43755 15.58083 ?        ?        ?         ?        
1 1 1 12 25 14 o 177.1573 6.404533 315.4216   22.69220 315.4216   22.69220 ?          ?        177.1573 6.404533 ?        ?        ?         ?        
1 1 1 12 25 15 o 206.5513 6.317083 429.4498   26.09603 429.4498   26.09603 ?          ?        206.5513 6.317083 ?        ?        ?         ?        
1 1 1 12 25 16 o 79.26958 16.95405 69.21120   26.09603 69.21120   26.09603 ?          ?        79.26958 16.95405 ?        ?        ?         ?        
1 1 1 12 25 17 o 35.17493 16.02164 -11.91340  24.96142 -11.91340  24.96142 ?          ?        35.17493 16.02164 ?        ?        ?         ?        
1 1 1 12 26 0  o 352.5293 10.72332 1248.071   75.45156 1248.071   75.45156 1248.071   75.45156 352.5293 10.72332 352.5293 10.72332 -0.000000 0.000000 
1 1 1 12 26 1  o 341.0052 7.985403 1164.677   54.46128 1164.677   54.46128 ?          ?        341.0052 7.985403 ?        ?        ?         ?        
1 1 1 12 26 2  f 407.3855 8.564187 1662.203   69.77851 1662.203   69.77851 ?          ?        407.3855 8.564187 ?        ?        ?         ?        
1 1 1 12 26 3  o 613.4594 13.17788 3775.415   161.6819 3775.415   161.6819 ?          ?        613.4594 13.17788 ?        ?        ?         ?        
1 1 1 12 26 4  o 368.6200 8.310582 1360.397   61.26894 1360.397   61.26894 ?          ?        368.6200 8.310582 ?        ?        ?         ?        
1 1 1 12 26 5  o 669.3132 15.72284 4502.132   210.4701 4502.132   210.4701 ?          ?        669.3132 15.72284 ?        ?        ?         ?        
1 1 1 12 26 6  o 278.6644 6.514560 777.2078   36.30752 777.2078   36.30752 ?          ?        278.6644 6.514560 ?        ?        ?         ?        
1 1 1 12 26 7  o 587.1498 12.89879 3461.128   151.4704 3461.128   151.4704 ?          ?        587.1498 12.89879 ?        ?        ?         ?        
1 1 1 12 26 8  f 388.5295 8.906814 1513.002   69.21120 1513.002   69.21120 ?          ?        388.5295 8.906814 ?        ?        ?         ?        
1 1 1 12 26 9  o 639.5899 13.96997 4115.230   178.7011 4115.230   178.7011 ?          ?        639.5899 13.96997 ?        ?        ?         ?        
1 1 1 12 26 10 f 265.9255 7.359963 708.5638   39.14404 708.5638   39.14404 ?          ?        265.9255 7.359963 ?        ?        ?         ?        
1 1 1 12 26 11 o 610.2333 14.50258 3760.665   176.9992 3760.665   176.9992 ?          ?        610.2333 14.50258 ?        ?        ?         ?        
1 1 1 12 26 12 o 424.3308 11.29714 1814.241   95.87454 1814.241   95.87454 ?          ?        424.3308 11.29714 ?        ?        ?         ?        
1 1 1 12 26 13 o 196.8864 6.627180 389.1712   26.09603 389.1712   26.09603 ?          ?        196.8864 6.627180 ?        ?        ?         ?        
1 1 1 12 26 14 o 171.8300 7.428481 297.2678   25.52872 297.2678   25.52872 ?          ?        171.8300 7.428481 ?        ?        ?         ?        
1 1 1 12 26 15 o 217.2408 7.181379 475.9689   31.20177 475.9689   31.20177 ?          ?        217.2408 7.181379 ?        ?        ?         ?        
1 1 1 12 26 16 o 75.24637 15.23371 61.83624   22.12490 61.83624   22.12490 ?          ?        75.24637 15.23371 ?        ?        ?         ?        
1 1 1 12 26 17 o 100.6823 12.11441 106.0860   24.39412 106.0860   24.39412 ?          ?        100.6823 12.11441 ?        ?        ?         ?        
1 1 1 12 27 0  o 740.3346 24.31036 5532.358   359.1040 5532.358   359.1040 5532.358   359.1040 740.3346 24.31036 740.3346 24.31036 -0.000000 0.000000 
1 1 1 12 27 1  o 672.2167 15.52834 4540.708   208.7682 4540.708   208.7682 ?          ?        672.2167 15.52834 ?        ?        ?         ?        
1 1 1 12 27 2  o 616.6862 13.33891 3815.693   164.5184 3815.693   164.5184 ?          ?        616.6862 13.33891 ?        ?        ?         ?        
1 1 1 12 27 3  o 628.5076 13.44907 3962.625   169.0569 3962.625   169.0569 ?          ?        628.5076 13.44907 ?        ?        ?         ?        
1 1 1 12 27 4  o 516.6610 11.30962 2675.410   116.8648 2675.410   116.8648 ?          ?        516.6610 11.30962 ?        ?        ?         ?        
1 1 1 12 27 5  o 379.3964 9.195991 1442.089   69.77851 1442.089   69.77851 ?          ?        379.3964 9.195991 ?        ?        ?         ?        
1 1 1 12 27 6  f 371.5738 9.389589 1383.089   69.77851 1383.089   69.77851 ?          ?        371.5738 9.389589 ?        ?        ?         ?        
1 1 1 12 27 7  o 355.0681 8.148452 1262.821   57.86510 1262.821   57.86510 ?          ?        355.0681 8.148452 ?        ?        ?         ?        
1 1 1 12 27 8  o 441.1098 11.63907 1953.798   102.6822 1953.798   102.6822 ?          ?        441.1098 11.63907 ?        ?        ?         ?        
1 1 1 12 27 9  o 168.8111 6.385121 285.3544   21.55759 285.3544   21.55759 ?          ?        168.8111 6.385121 ?        ?        ?         ?        
1 1 1 12 27 10 f 295.7593 7.480710 876.4862   44.24979 876.4862   44.24979 ?          ?        295.7593 7.480710 ?        ?        ?         ?        
1 1 1 12 27 11 o 767.6942 18.17873 5979.961   279.1140 5979.961   279.1140 ?          ?        767.6942 18.17873 ?        ?        ?         ?        
1 1 1 12 27 12 o 334.1670 8.912764 1122.697   59.56702 1122.697   59.56702 ?          ?        334.1670 8.912764 ?        ?        ?         ?        
1 1 1 12 27 13 o 292.2723 7.375858 858.3325   43.11518 858.3325   43.11518 ?          ?        292.2723 7.375858 ?        ?        ?         ?        
1 1 1 12 27 14 o 41.11247 14.18734 15.88454   14.18262 15.88454   14.18262 ?          ?        41.11247 14.18734 ?        ?        ?         ?        
1 1 1 12 27 15 o 56.47665 10.43757 33.47099   11.34610 33.47099   11.34610 ?          ?        56.47665 10.43757 ?        ?        ?         ?        
1 1 1 12 27 16 o 156.8053 8.682946 250.7488   27.23064 250.7488   27.23064 ?          ?        156.8053 8.682946 ?        ?        ?         ?        
1 1 1 12 27 17 o 29.47598 14.24595 -36.30752  25.52872 -36.30752  25.52872 ?          ?        29.47598 14.24595 ?        ?        ?         ?        
1 1 1 12 28 0  o 347.7009 10.46305 1213.465   72.61504 1213.465   72.61504 1213.465   72.61504 347.7009 10.46305 347.7009 10.46305 -0.000000 0.000000 
1 1 1 12 28 1  o 624.4376 12.53738 3910.433   156.5762 3910.433   156.5762 ?          ?        624.4376 12.53738 ?        ?        ?         ?        
1 1 1 12 28 2  o 447.6111 9.252065 2006.558   82.82652 2006.558   82.82652 ?          ?        447.6111 9.252065 ?        ?        ?         ?        
1 1 1 12 28 3  o 334.0497 7.727106 1117.023   51.62476 1117.023   51.62476 ?          ?        334.0497 7.727106 ?        ?        ?         ?        
1 1 1 12 28 4  o 569.0313 13.35935 3249.523   152.0377 3249.523   152.0377 ?          ?        569.0313 13.35935 ?        ?        ?         ?        
1 1 1 12 28 5  o 803.3151 18.50257 6500.181   297.2678 6500.181   297.2678 ?          ?        803.3151 18.50257 ?        ?        ?         ?        
1 1 1 12 28 6  o 345.4088 9.279651 1195.312   64.10546 1195.312   64.10546 ?          ?        345.4088 9.279651 ?        ?        ?         ?        
1 1 1 12 28 7  o 458.4848 12.00227 2109.807   110.0572 2109.807   110.0572 ?          ?        458.4848 12.00227 ?        ?        ?         ?        
1 1 1 12 28 8  o 387.5617 8.929057 1505.627   69.21120 1505.627   69.21120 ?          ?        387.5617 8.929057 ?        ?        ?         ?        
1 1 1 12 28 9  o 379.5243 8.744457 1444.359   66.37468 1444.359   66.37468 ?          ?        379.5243 8.744457 ?        ?        ?         ?        
1 1 1 12 28 10 o 204.8780 6.368676 420.3730   26.09603 420.3730   26.09603 ?          ?        204.8780 6.368676 ?        ?        ?         ?        
1 1 1 12 28 11 f 414.4092 9.651090 1724.607   79.99000 1724.607   79.99000 ?          ?        414.4092 9.651090 ?        ?        ?         ?        
1 1 1 12 28 12 o 44.44935 15.02551 18.72106   15.88454 18.72106   15.88454 ?          ?        44.44935 15.02551 ?        ?        ?         ?        
1 1 1 12 28 13 o 279.2430 7.110535 783.4482   39.71135 783.4482   39.71135 ?          ?        279.2430 7.110535 ?        ?        ?         ?        
1 1 1 12 28 14 o 31.58321 13.11217 2.836525   13.61532 2.836525   13.61532 ?          ?        31.58321 13.11217 ?        ?        ?         ?        
1 1 1 12 28 15 o 70.56841 8.842986 50.49014   12.48071 50.49014   12.48071 ?          ?        70.56841 8.842986 ?        ?        ?         ?        
1 1 1 12 28 16 o 47.10186 17.88538 18.72106   23.25950 18.72106   23.25950 ?          ?        47.10186 17.88538 ?        ?        ?         ?        
1 1 1 12 28 17 o 98.50054 12.09476 101.5476   23.82681 101.5476   23.82681 ?          ?        98.50054 12.09476 ?        ?        ?         ?        
1 1 1 12 29 0  o 412.5141 13.99395 1710.425   115.1629 1710.425   115.1629 1710.425   115.1629 412.5141 13.99395 412.5141 13.99395 -0.000000 0.000000 
1 1 1 12 29 1  o 1094.360 21.74645 12073.38   475.9689 12073.38   475.9689 ?          ?        1094.360 21.74645 ?        ?        ?         ?        
1 1 1 12 29 2  o 345.5975 8.617977 1195.879   59.56702 1195.879   59.56702 ?          ?        345.5975 8.617977 ?        ?        ?         ?        
1 1 1 12 29 3  o 438.8015 9.696383 1928.837   85.09574 1928.837   85.09574 ?          ?        438.8015 9.696383 ?        ?        ?         ?        
1 1 1 12 29 4  o 296.0963 6.801615 877.6207   40.27865 877.6207   40.27865 ?          ?        296.0963 6.801615 ?        ?        ?         ?        
1 1 1 12 29 5  o 390.5214 9.442459 1527.752   73.74965 1527.752   73.74965 ?          ?        390.5214 9.442459 ?        ?        ?         ?        
1 1 1 12 29 6  o 349.5274 9.332611 1224.244   65.24007 1224.244   65.24007 ?          ?        349.5274 9.332611 ?        ?        ?         ?        
1 1 1 12 29 7  o 329.3181 7.924262 1086.389   52.19205 1086.389   52.19205 ?          ?        329.3181 7.924262 ?        ?        ?         ?        
1 1 1 12 29 8  o 105.8823 8.036825 112.3264   17.01915 112.3264   17.01915 ?          ?        105.8823 8.036825 ?        ?        ?         ?        
1 1 1 12 29 9  o 414.6993 9.575939 1725.742   79.42269 1725.742   79.42269 ?          ?        414.6993 9.575939 ?        ?        ?         ?        
1 1 1 12 29 10 o 66.52306 12.40096 45.95170   15.88454 45.95170   15.88454 ?          ?        66.52306 12.40096 ?        ?        ?         ?        
1 1 1 12 29 11 o 175.1277 6.964666 307.4793   24.39412 307.4793   24.39412 ?          ?        175.1277 6.964666 ?        ?        ?         ?        
1 1 1 12 29 12 o 119.3309 7.606477 142.9609   18.15376 142.9609   18.15376 ?          ?        119.3309 7.606477 ?        ?        ?         ?        
1 1 1 12 29 13 o 257.8005 6.931757 668.2853   35.74022 668.2853   35.74022 ?          ?        257.8005 6.931757 ?        ?        ?         ?        
1 1 1 12 29 14 o 24.37636 11.37677 -12.48071  13.61532 -12.48071  13.61532 ?          ?        24.37636 11.37677 ?        ?        ?         ?        
1 1 1 12 29 15 o 241.7391 7.979004 591.6991   38.57674 591.6991   38.57674 ?          ?        241.7391 7.979004 ?        ?        ?         ?        
1 1 1 12 29 16 f 181.9793 7.325925 335.8446   26.66333 335.8446   26.66333 ?          ?        181.9793 7.325925 ?        ?        ?         ?        
1 1 1 12 29 17 o 178.9067 8.244483 327.3350   29.49986 327.3350   29.49986 ?          ?        178.9067 8.244483 ?        ?        ?         ?        
1 1 1 12 30 0  o 63.65449 17.54412 48.78823   19.28837 48.78823   19.28837 48.78823   19.28837 63.65449 17.54412 63.65449 17.54412 -0.000000 0.000000 
1 1 1 12 30 1  o 496.6625 10.22300 2471.180   101.5476 2471.180   101.5476 ?          ?        496.6625 10.22300 ?        ?        ?         ?        
1 1 1 12 30 2  o 283.5014 6.903677 804.4385   39.14404 804.4385   39.14404 ?          ?        283.5014 6.903677 ?        ?        ?         ?        
1 1 1 12 30 3  o 418.6507 9.959833 1756.376   83.39383 1756.376   83.39383 ?          ?        418.6507 9.959833 ?        ?        ?         ?        
1 1 1 12 30 4  o 195.0286 6.108540 380.6616   23.82681 380.6616   23.82681 ?          ?        195.0286 6.108540 ?        ?        ?         ?        
1 1 1 12 30 5  o 451.7307 10.92588 2045.702   98.71106 2045.702   98.71106 ?          ?        451.7307 10.92588 ?        ?        ?         ?        
1 1 1 12 30 6  o 397.6588 10.41427 1585.617   82.82652 1585.617   82.82652 ?          ?        397.6588 10.41427 ?        ?        ?         ?        
1 1 1 12 30 7  o 801.3663 18.79533 6490.536   301.2389 6490.536   301.2389 ?          ?        801.3663 18.79533 ?        ?        ?         ?        
1 1 1 12 30 8  o 403.6706 9.837564 1634.406   79.42269 1634.406   79.42269 ?          ?        403.6706 9.837564 ?        ?        ?         ?        
1 1 1 12 30 9  o 222.8732 6.618082 497.5265   29.49986 497.5265   29.49986 ?          ?        222.8732 6.618082 ?        ?        ?         ?        
1 1 1 12 30 10 o 288.2274 7.380956 832.8038   42.54787 832.8038   42.54787 ?          ?        288.2274 7.380956 ?        ?        ?         ?        
1 1 1 12 30 11 o 240.4995 6.604812 579.7856   31.76908 579.7856   31.76908 ?          ?        240.4995 6.604812 ?        ?        ?         ?        
1 1 1 12 30 12 o 330.4637 8.068460 1097.168   53.32666 1097.168   53.32666 ?          ?        330.4637 8.068460 ?        ?        ?         ?        
1 1 1 12 30 13 o 71.29938 11.13933 51.62476   15.88454 51.62476   15.88454 ?          ?        71.29938 11.13933 ?        ?        ?         ?        
1 1 1 12 30 14 o 71.65359 10.29253 52.19205   14.74993 52.19205   14.74993 ?          ?        71.65359 10.29253 ?        ?        ?         ?        
1 1 1 12 30 15 o 92.96452 8.848454 87.93227   16.45185 87.93227   16.45185 ?          ?        92.96452 8.848454 ?        ?        ?         ?        
1 1 1 12 30 16 o 72.91668 7.002163 53.89397   10.21149 53.89397   10.21149 ?          ?        72.91668 7.002163 ?        ?        ?         ?        
1 1 1 12 30 17 o 98.83998 12.05322 102.6822   23.82681 102.6822   23.82681 ?          ?        98.83998 12.05322 ?        ?        ?         ?        
1 1 1 12 31 0  o 173.7697 8.035324 304.0754   27.79794 304.0754   27.79794 304.0754   27.79794 173.7697 8.035324 173.7697 8.035324 -0.000000 0.000000 
1 1 1 12 31 1  o 233.1732 5.717494 544.0455   26.66333 544.0455   26.66333 ?          ?        233.1732 5.717494 ?        ?        ?         ?        
1 1 1 12 31 2  o 520.3120 11.28478 2714.554   117.4321 2714.554   117.4321 ?          ?        520.3120 11.28478 ?        ?        ?         ?        
1 1 1 12 31 3  o 151.8679 7.097479 230.8931   21.55759 230.8931   21.55759 ?          ?        151.8679 7.097479 ?        ?        ?         ?        
1 1 1 12 31 4  o 309.2589 7.979645 957.6108   49.35553 957.6108   49.35553 ?          ?        309.2589 7.979645 ?        ?        ?         ?        
1 1 1 12 31 5  o 379.3024 10.02088 1442.089   76.01886 1442.089   76.01886 ?          ?        379.3024 10.02088 ?        ?        ?         ?        
1 1 1 12 31 6  o 215.4444 6.187984 464.6228   26.66333 464.6228   26.66333 ?          ?        215.4444 6.187984 ?        ?        ?         ?        
1 1 1 12 31 7  o 727.2693 18.56514 5344.013   270.0372 5344.013   270.0372 ?          ?        727.2693 18.56514 ?        ?        ?         ?        
1 1 1 12 31 8  o 338.8086 8.120894 1150.494   55.02858 1150.494   55.02858 ?          ?        338.8086 8.120894 ?        ?        ?         ?        
1 1 1 12 31 9  o 391.7214 9.196299 1539.098   72.04772 1539.098   72.04772 ?          ?        391.7214 9.196299 ?        ?        ?         ?        
1 1 1 12 31 10 o 292.8013 7.362532 859.4670   43.11518 859.4670   43.11518 ?          ?        292.8013 7.362532 ?        ?        ?         ?        
1 1 1 12 31 11 o 280.3698 7.284299 788.5540   40.84595 788.5540   40.84595 ?          ?        280.3698 7.284299 ?        ?        ?         ?        
1 1 1 12 31 12 o 517.0451 12.56301 2709.448   129.9128 2709.448   129.9128 ?          ?        517.0451 12.56301 ?        ?        ?         ?        
1 1 1 12 31 13 o 86.44914 8.859102 75.45156   15.31723 75.45156   15.31723 ?          ?        86.44914 8.859102 ?        ?        ?         ?        
1 1 1 12 31 14 o 222.1210 6.640491 496.9591   29.49986 496.9591   29.49986 ?          ?        222.1210 6.640491 ?        ?        ?         ?        
1 1 1 12 31 15 o 87.24100 7.803281 77.15348   13.61532 77.15348   13.61532 ?          ?        87.24100 7.803281 ?        ?        ?         ?        
1 1 1 12 31 16 o 45.89977 11.70352 22.69220   10.77879 22.69220   10.77879 ?          ?        45.89977 11.70352 ?        ?        ?         ?        
1 1 1 12 31 17 o 123.3370 12.18903 159.9800   30.06716 159.9800   30.06716 ?          ?        123.3370 12.18903 ?        ?        ?         ?        
1 1 1 12 32 0  o 77.19374 16.78824 67.50929   22.69220 67.50929   22.69220 67.50929   22.69220 77.19374 16.78824 77.19374 16.78824 -0.000000 0.000000 
1 1 1 12 32 1  o 447.6012 9.125525 2007.125   81.69191 2007.125   81.69191 ?          ?        447.6012 9.125525 ?        ?        ?         ?        
1 1 1 12 32 2  o 483.3405 9.976594 2341.268   96.44185 2341.268   96.44185 ?          ?        483.3405 9.976594 ?        ?        ?         ?        
1 1 1 12 32 3  o 339.1733 7.359488 1151.629   49.92284 1151.629   49.92284 ?          ?        339.1733 7.359488 ?        ?        ?         ?        
1 1 1 12 32 4  o 336.4730 8.851681 1134.043   59.56702 1134.043   59.56702 ?          ?        336.4730 8.851681 ?        ?        ?         ?        
1 1 1 12 32 5  o 98.10027 9.252655 96.44185   18.15376 96.44185   18.15376 ?          ?        98.10027 9.252655 ?        ?        ?         ?        
1 1 1 12 32 6  o 375.8261 10.03809 1416.561   75.45156 1416.561   75.45156 ?          ?        375.8261 10.03809 ?        ?        ?         ?        
1 1 1 12 32 7  o 130.9962 7.578725 171.8934   19.85567 171.8934   19.85567 ?          ?        130.9962 7.578725 ?        ?        ?         ?        
1 1 1 12 32 8  o 321.0923 9.099007 1034.197   58.43241 1034.197   58.43241 ?          ?        321.0923 9.099007 ?        ?        ?         ?        
1 1 1 12 32 9  o 333.6577 7.991223 1115.889   53.32666 1115.889   53.32666 ?          ?        333.6577 7.991223 ?        ?        ?         ?        
1 1 1 12 32 10 o 293.4674 7.635788 863.4382   44.81709 863.4382   44.81709 ?          ?        293.4674 7.635788 ?        ?        ?         ?        
1 1 1 12 32 11 o 224.8968 6.306283 507.1707   28.36525 507.1707   28.36525 ?          ?        224.8968 6.306283 ?        ?        ?         ?        
1 1 1 12 32 12 o 144.3972 6.678927 209.3355   19.28837 209.3355   19.28837 ?          ?        144.3972 6.678927 ?        ?        ?         ?        
1 1 1 12 32 13 o 193.7504 6.295244 377.2578   24.39412 377.2578   24.39412 ?          ?        193.7504 6.295244 ?        ?        ?         ?        
1 1 1 12 32 14 o 211.8829 6.559741 452.1420   27.79794 452.1420   27.79794 ?          ?        211.8829 6.559741 ?        ?        ?         ?        
1 1 1 12 32 15 o 137.3557 6.608300 190.6145   18.15376 190.6145   18.15376 ?          ?        137.3557 6.608300 ?        ?        ?         ?        
1 1 1 12 32 16 o 180.6753 7.064809 331.3061   25.52872 331.3061   25.52872 ?          ?        180.6753 7.064809 ?        ?        ?         ?        
1 1 1 12 33 0  o 105.2860 10.14168 114.0283   20.99029 114.0283   20.99029 114.0283   20.99029 105.2860 10.14168 105.2860 10.14168 -0.000000 0.000000 
1 1 1 12 33 1  f 586.3866 11.85137 3448.647   138.9897 3448.647   138.9897 ?          ?        586.3866 11.85137 ?        ?        ?         ?        
1 1 1 12 33 2  o 477.1837 12.36415 2283.970   117.9994 2283.970   117.9994 ?          ?        477.1837 12.36415 ?        ?        ?         ?        
1 1 1 12 33 3  o 168.8677 5.711088 285.3544   19.28837 285.3544   19.28837 ?          ?        168.8677 5.711088 ?        ?        ?         ?        
1 1 1 12 33 4  o 281.6227 7.654778 794.2269   43.11518 794.2269   43.11518 ?          ?        281.6227 7.654778 ?        ?        ?         ?        
1 1 1 12 33 5  o 29.89686 13.17728 -4.538440  15.31723 -4.538440  15.31723 ?          ?        29.89686 13.17728 ?        ?        ?         ?        
1 1 1 12 33 6  o 185.3039 6.276042 343.7868   23.25950 343.7868   23.25950 ?          ?        185.3039 6.276042 ?        ?        ?         ?        
1 1 1 12 33 7  o 823.6973 21.04070 6878.573   346.6233 6878.573   346.6233 ?          ?        823.6973 21.04070 ?        ?        ?         ?        
1 1 1 12 33 8  f 628.3198 17.74183 3994.394   222.9509 3994.394   222.9509 ?          ?        628.3198 17.74183 ?        ?        ?         ?        
1 1 1 12 33 9  o 108.1904 8.914089 117.4321   19.28837 117.4321   19.28837 ?          ?        108.1904 8.914089 ?        ?        ?         ?        
1 1 1 12 33 10 o 227.4463 6.734440 518.5167   30.63447 518.5167   30.63447 ?          ?        227.4463 6.734440 ?        ?        ?         ?        
1 1 1 12 33 11 o 364.2303 8.800126 1333.734   64.10546 1333.734   64.10546 ?          ?        364.2303 8.800126 ?        ?        ?         ?        
1 1 1 12 33 12 o 265.3494 7.162148 707.4293   38.00943 707.4293   38.00943 ?          ?        265.3494 7.162148 ?        ?        ?         ?        
1 1 1 12 33 13 o 175.9646 6.447945 311.4504   22.69220 311.4504   22.69220 ?          ?        175.9646 6.447945 ?        ?        ?         ?        
1 1 1 12 33 14 f 296.6703 9.083144 892.3707   53.89397 892.3707   53.89397 ?          ?        296.6703 9.083144 ?        ?        ?         ?        
1 1 1 12 33 15 o 32.97349 13.66587 3.971134   14.74993 3.971134   14.74993 ?          ?        32.97349 13.66587 ?        ?        ?         ?        
1 1 1 12 33 16 f 32.46046 13.24694 5.105744   13.61532 5.105744   13.61532 ?          ?        32.46046 13.24694 ?        ?        ?         ?        
1 1 1 12 34 0  o 439.8593 12.98687 1943.020   114.0283 1943.020   114.0283 1943.020   114.0283 439.8593 12.98687 439.8593 12.98687 -0.000000 0.000000 
1 1 1 12 34 1  f 222.4681 5.865116 495.2573   26.09603 495.2573   26.09603 ?          ?        222.4681 5.865116 ?        ?        ?         ?        
1 1 1 12 34 2  o 462.0843 10.25137 2139.874   94.73994 2139.874   94.73994 ?          ?        462.0843 10.25137 ?        ?        ?         ?        
1 1 1 12 34 3  o 216.5096 6.026528 469.1612   26.09603 469.1612   26.09603 ?          ?        216.5096 6.026528 ?        ?        ?         ?        
1 1 1 12 34 4  o 547.0752 14.10290 3007.851   154.3070 3007.851   154.3070 ?          ?        547.0752 14.10290 ?        ?        ?         ?        
1 1 1 12 34 5  o 342.7951 9.764139 1178.292   66.94199 1178.292   66.94199 ?          ?        342.7951 9.764139 ?        ?        ?         ?        
1 1 1 12 34 6  o 303.9717 8.211758 925.8417   49.92284 925.8417   49.92284 ?          ?        303.9717 8.211758 ?        ?        ?         ?        
1 1 1 12 34 7  o 751.3387 19.06524 5716.165   286.4890 5716.165   286.4890 ?          ?        751.3387 19.06524 ?        ?        ?         ?        
1 1 1 12 34 8  o 370.8715 9.254405 1379.686   68.64390 1379.686   68.64390 ?          ?        370.8715 9.254405 ?        ?        ?         ?        
1 1 1 12 34 9  o 540.2757 12.18033 2939.207   131.6148 2939.207   131.6148 ?          ?        540.2757 12.18033 ?        ?        ?         ?        
1 1 1 12 34 10 o 154.7038 6.967377 239.9700   21.55759 239.9700   21.55759 ?          ?        154.7038 6.967377 ?        ?        ?         ?        
1 1 1 12 34 11 o 38.41832 15.29164 7.942269   17.58645 7.942269   17.58645 ?          ?        38.41832 15.29164 ?        ?        ?         ?        
1 1 1 12 34 12 o 47.28724 14.99278 22.69220   15.88454 22.69220   15.88454 ?          ?        47.28724 14.99278 ?        ?        ?         ?        
1 1 1 12 34 13 o 95.04800 8.654492 91.33610   16.45185 91.33610   16.45185 ?          ?        95.04800 8.654492 ?        ?        ?         ?        
1 1 1 12 34 14 o 31.36647 13.62431 -1.701915  15.88454 -1.701915  15.88454 ?          ?        31.36647 13.62431 ?        ?        ?         ?        
1 1 1 12 34 15 o 75.17768 9.810045 57.86510   14.74993 57.86510   14.74993 ?          ?        75.17768 9.810045 ?        ?        ?         ?        
1 1 1 12 34 16 o 182.1377 6.229406 335.8446   22.69220 335.8446   22.69220 ?          ?        182.1377 6.229406 ?        ?        ?         ?        
1 1 1 12 35 0  o 637.6174 18.31725 4090.269   233.1623 4090.269   233.1623 4090.269   233.1623 637.6174 18.31725 637.6174 18.31725 -0.000000 0.000000 
1 1 1 12 35 1  o 376.6625 8.660283 1421.099   65.24007 1421.099   65.24007 ?          ?        376.6625 8.660283 ?        ?        ?         ?        
1 1 1 12 35 2  o 392.8152 8.881850 1545.906   69.77851 1545.906   69.77851 ?          ?        392.8152 8.881850 ?        ?        ?         ?        
1 1 1 12 35 3  o 434.6223 10.57279 1894.231   91.90340 1894.231   91.90340 ?          ?        434.6223 10.57279 ?        ?        ?         ?        
1 1 1 12 35 4  o 132.9737 6.186125 176.9992   16.45185 176.9992   16.45185 ?          ?        132.9737 6.186125 ?        ?        ?         ?        
1 1 1 12 35 5  o 706.7489 19.54566 5052.985   276.2775 5052.985   276.2775 ?          ?        706.7489 19.54566 ?        ?        ?         ?        
1 1 1 12 35 6  o 257.7806 6.822258 665.4487   35.17290 665.4487   35.17290 ?          ?        257.7806 6.822258 ?        ?        ?         ?        
1 1 1 12 35 7  o 625.2953 16.01313 3947.875   200.2587 3947.875   200.2587 ?          ?        625.2953 16.01313 ?        ?        ?         ?        
1 1 1 12 35 8  o 281.7520 7.248566 795.3616   40.84595 795.3616   40.84595 ?          ?        281.7520 7.248566 ?        ?        ?         ?        
1 1 1 12 35 9  o 425.1662 9.807203 1815.376   83.39383 1815.376   83.39383 ?          ?        425.1662 9.807203 ?        ?        ?         ?        
1 1 1 12 35 10 o 349.5777 9.168987 1228.215   64.10546 1228.215   64.10546 ?          ?        349.5777 9.168987 ?        ?        ?         ?        
1 1 1 12 35 11 o 280.7207 7.275194 791.3904   40.84595 791.3904   40.84595 ?          ?        280.7207 7.275194 ?        ?        ?         ?        
1 1 1 12 35 12 o 137.4608 6.809599 190.0471   18.72106 190.0471   18.72106 ?          ?        137.4608 6.809599 ?        ?        ?         ?        
1 1 1 12 35 13 o 88.48997 9.616428 79.42269   17.01915 79.42269   17.01915 ?          ?        88.48997 9.616428 ?        ?        ?         ?        
1 1 1 12 35 14 o 250.7283 7.466675 635.9489   37.44213 635.9489   37.44213 ?          ?        250.7283 7.466675 ?        ?        ?         ?        
1 1 1 12 35 15 o 40.36653 14.66168 14.74993   15.31723 14.74993   15.31723 ?          ?        40.36653 14.66168 ?        ?        ?         ?        
1 1 1 12 35 16 o 72.68291 9.756506 54.46128   14.18262 54.46128   14.18262 ?          ?        72.68291 9.756506 ?        ?        ?         ?        
1 1 1 12 36 0  o 24.21709 16.48310 -10.77879  23.25950 -10.77879  23.25950 -10.77879  23.25950 24.21709 16.48310 24.21709 16.48310 -0.000000 0.000000 
1 1 1 12 36 1  o 210.3920 6.201763 443.0652   26.09603 443.0652   26.09603 ?          ?        210.3920 6.201763 ?        ?        ?         ?        
1 1 1 12 36 2  o 548.3130 12.10525 3017.495   132.7494 3017.495   132.7494 ?          ?        548.3130 12.10525 ?        ?        ?         ?        
1 1 1 12 36 3  o 178.6224 6.352004 319.3927   22.69220 319.3927   22.69220 ?          ?        178.6224 6.352004 ?        ?        ?         ?        
1 1 1 12 36 4  o 147.1049 6.941639 216.7105   20.42298 216.7105   20.42298 ?          ?        147.1049 6.941639 ?        ?        ?         ?        
1 1 1 12 36 5  f 457.8913 12.14172 2105.836   111.1918 2105.836   111.1918 ?          ?        457.8913 12.14172 ?        ?        ?         ?        
1 1 1 12 36 6  o 91.19633 9.020014 83.39383   16.45185 83.39383   16.45185 ?          ?        91.19633 9.020014 ?        ?        ?         ?        
1 1 1 12 36 7  o 199.2619 6.548173 397.6808   26.09603 397.6808   26.09603 ?          ?        199.2619 6.548173 ?        ?        ?         ?        
1 1 1 12 36 8  o 149.7350 7.009144 224.6528   20.99029 224.6528   20.99029 ?          ?        149.7350 7.009144 ?        ?        ?         ?        
1 1 1 12 36 9  o 629.5580 15.13875 4006.308   190.6145 4006.308   190.6145 ?          ?        629.5580 15.13875 ?        ?        ?         ?        
1 1 1 12 36 10 o 473.8698 11.55274 2266.383   109.4899 2266.383   109.4899 ?          ?        473.8698 11.55274 ?        ?        ?         ?        
1 1 1 12 36 11 o 297.8881 8.760346 893.5052   52.19205 893.5052   52.19205 ?          ?        297.8881 8.760346 ?        ?        ?         ?        
1 1 1 12 36 12 o 150.1928 6.987782 226.9220   20.99029 226.9220   20.99029 ?          ?        150.1928 6.987782 ?        ?        ?         ?        
1 1 1 12 36 13 o 145.6885 6.814429 213.8740   19.85567 213.8740   19.85567 ?          ?        145.6885 6.814429 ?        ?        ?         ?        
1 1 1 12 36 14 o 123.9230 7.324612 155.4416   18.15376 155.4416   18.15376 ?          ?        123.9230 7.324612 ?        ?        ?         ?        
1 1 1 12 36 15 o 199.1769 6.693379 401.6519   26.66333 401.6519   26.66333 ?          ?        199.1769 6.693379 ?        ?        ?         ?        
1 1 1 12 36 16 o 25.10610 11.67622 -11.34610  14.18262 -11.34610  14.18262 ?          ?        25.10610 11.67622 ?        ?        ?         ?        
1 1 1 12 37 0  f 21.62665 15.04666 -17.58645  22.12490 -17.58645  22.12490 -17.58645  22.12490 21.62665 15.04666 21.62665 15.04666 -0.000000 0.000000 
1 1 1 12 37 1  o 599.6508 13.10292 3611.463   157.1435 3611.463   157.1435 ?          ?        599.6508 13.10292 ?        ?        ?         ?        
1 1 1 12 37 2  o 358.6778 8.461860 1288.917   60.70163 1288.917   60.70163 ?          ?        358.6778 8.461860 ?        ?        ?         ?        
1 1 1 12 37 3  o 356.0182 8.525073 1270.196   60.70163 1270.196   60.70163 ?          ?        356.0182 8.525073 ?        ?        ?         ?        
1 1 1 12 37 4  o 404.8666 9.948623 1644.050   80.55730 1644.050   80.55730 ?          ?        404.8666 9.948623 ?        ?        ?         ?        
1 1 1 12 37 5  o 258.4327 6.914802 668.8526   35.74022 668.8526   35.74022 ?          ?        258.4327 6.914802 ?        ?        ?         ?        
1 1 1 12 37 6  o 149.5574 7.017469 224.0854   20.99029 224.0854   20.99029 ?          ?        149.5574 7.017469 ?        ?        ?         ?        
1 1 1 12 37 7  o 68.15833 16.74484 48.78823   22.69220 48.78823   22.69220 ?          ?        68.15833 16.74484 ?        ?        ?         ?        
1 1 1 12 37 8  o 345.4019 9.033469 1197.581   62.40355 1197.581   62.40355 ?          ?        345.4019 9.033469 ?        ?        ?         ?        
1 1 1 12 37 9  o 584.1708 14.03281 3449.214   163.9511 3449.214   163.9511 ?          ?        584.1708 14.03281 ?        ?        ?         ?        
1 1 1 12 37 10 o 463.8285 10.70206 2168.240   99.27837 2168.240   99.27837 ?          ?        463.8285 10.70206 ?        ?        ?         ?        
1 1 1 12 37 11 o 84.04447 11.47510 71.48043   19.28837 71.48043   19.28837 ?          ?        84.04447 11.47510 ?        ?        ?         ?        
1 1 1 12 37 12 o 314.3642 7.759827 996.1876   48.78823 996.1876   48.78823 ?          ?        314.3642 7.759827 ?        ?        ?         ?        
1 1 1 12 37 13 o 180.9618 7.053621 330.1715   25.52872 330.1715   25.52872 ?          ?        180.9618 7.053621 ?        ?        ?         ?        
1 1 1 12 37 14 o 153.4457 7.209357 238.2681   22.12490 238.2681   22.12490 ?          ?        153.4457 7.209357 ?        ?        ?         ?        
1 1 1 12 37 15 o 40.99072 14.92657 15.31723   15.88454 15.31723   15.88454 ?          ?        40.99072 14.92657 ?        ?        ?         ?        
1 1 1 12 37 16 o 244.1378 7.087311 606.4490   34.60560 606.4490   34.60560 ?          ?        244.1378 7.087311 ?        ?        ?         ?        
1 1 1 12 38 0  o 330.7902 11.34825 1100.004   74.88425 1100.004   74.88425 1100.004   74.88425 330.7902 11.34825 330.7902 11.34825 -0.000000 0.000000 
1 1 1 12 38 1  o 490.5879 11.04341 2415.017   108.3553 2415.017   108.3553 ?          ?        490.5879 11.04341 ?        ?        ?         ?        
1 1 1 12 38 2  o 283.2938 7.409370 803.8712   41.98057 803.8712   41.98057 ?          ?        283.2938 7.409370 ?        ?        ?         ?        
1 1 1 12 38 3  o 298.7629 7.405502 894.0726   44.24979 894.0726   44.24979 ?          ?        298.7629 7.405502 ?        ?        ?         ?        
1 1 1 12 38 4  o 197.1508 6.474415 389.1712   25.52872 389.1712   25.52872 ?          ?        197.1508 6.474415 ?        ?        ?         ?        
1 1 1 12 38 5  f 344.8348 8.308006 1191.908   57.29780 1191.908   57.29780 ?          ?        344.8348 8.308006 ?        ?        ?         ?        
1 1 1 12 38 6  o 326.2153 8.608301 1067.101   56.16319 1067.101   56.16319 ?          ?        326.2153 8.608301 ?        ?        ?         ?        
1 1 1 12 38 7  o 345.1096 8.383584 1194.177   57.86510 1194.177   57.86510 ?          ?        345.1096 8.383584 ?        ?        ?         ?        
1 1 1 12 38 8  o 646.1167 16.50682 4224.720   213.3067 4224.720   213.3067 ?          ?        646.1167 16.50682 ?        ?        ?         ?        
1 1 1 12 38 9  o 289.9826 7.434098 843.5825   43.11518 843.5825   43.11518 ?          ?        289.9826 7.434098 ?        ?        ?         ?        
1 1 1 12 38 10 o 233.9400 6.911254 549.1512   32.33638 549.1512   32.33638 ?          ?        233.9400 6.911254 ?        ?        ?         ?        
1 1 1 12 38 11 o 265.0186 7.385149 706.8619   39.14404 706.8619   39.14404 ?          ?        265.0186 7.385149 ?        ?        ?         ?        
1 1 1 12 38 12 o 316.2689 8.071841 1009.803   51.05745 1009.803   51.05745 ?          ?        316.2689 8.071841 ?        ?        ?         ?        
1 1 1 12 38 13 o 128.3441 7.293306 166.2204   18.72106 166.2204   18.72106 ?          ?        128.3441 7.293306 ?        ?        ?         ?        
1 1 1 12 38 14 o 122.7562 7.856373 153.1723   19.28837 153.1723   19.28837 ?          ?        122.7562 7.856373 ?        ?        ?         ?        
1 1 1 12 38 15 o 230.5676 7.381414 540.6417   34.03830 540.6417   34.03830 ?          ?        230.5676 7.381414 ?        ?        ?         ?        
1 1 1 12 39 0  o 36.19535 20.85834 17.01915   23.82681 17.01915   23.82681 17.01915   23.82681 36.19535 20.85834 36.19535 20.85834 -0.000000 0.000000 
1 1 1 12 39 1  o 205.1633 6.774589 421.5076   27.79794 421.5076   27.79794 ?          ?        205.1633 6.774589 ?        ?        ?         ?        
1 1 1 12 39 2  o 554.9503 13.18719 3095.783   146.3647 3095.783   146.3647 ?          ?        554.9503 13.18719 ?        ?        ?         ?        
1 1 1 12 39 3  o 241.6668 7.042401 584.8914   34.03830 584.8914   34.03830 ?          ?        241.6668 7.042401 ?        ?        ?         ?        
1 1 1 12 39 4  o 412.5326 10.24506 1707.588   84.52843 1707.588   84.52843 ?          ?        412.5326 10.24506 ?        ?        ?         ?        
1 1 1 12 39 5  o 216.6805 6.676315 470.2958   28.93255 470.2958   28.93255 ?          ?        216.6805 6.676315 ?        ?        ?         ?        
1 1 1 12 39 6  o 700.8558 17.92923 4968.457   251.3161 4968.457   251.3161 ?          ?        700.8558 17.92923 ?        ?        ?         ?        
1 1 1 12 39 7  o 232.8945 6.698693 543.4781   31.20177 543.4781   31.20177 ?          ?        232.8945 6.698693 ?        ?        ?         ?        
1 1 1 12 39 8  o 112.1659 10.62124 126.5090   23.82681 126.5090   23.82681 ?          ?        112.1659 10.62124 ?        ?        ?         ?        
1 1 1 12 39 9  f 201.3783 6.620211 406.7577   26.66333 406.7577   26.66333 ?          ?        201.3783 6.620211 ?        ?        ?         ?        
1 1 1 12 39 10 o 65.11022 14.32815 44.81709   18.15376 44.81709   18.15376 ?          ?        65.11022 14.32815 ?        ?        ?         ?        
1 1 1 12 39 11 o 243.0928 7.001091 594.5356   34.03830 594.5356   34.03830 ?          ?        243.0928 7.001091 ?        ?        ?         ?        
1 1 1 12 39 12 o 91.29833 9.631311 84.52843   17.58645 84.52843   17.58645 ?          ?        91.29833 9.631311 ?        ?        ?         ?        
1 1 1 12 39 13 o 136.0959 7.503160 187.2106   20.42298 187.2106   20.42298 ?          ?        136.0959 7.503160 ?        ?        ?         ?        
1 1 1 12 39 14 o 182.1105 7.632165 336.4118   27.79794 336.4118   27.79794 ?          ?        182.1105 7.632165 ?        ?        ?         ?        
1 1 1 12 39 15 o 34.26687 14.02834 5.673049   15.31723 5.673049   15.31723 ?          ?        34.26687 14.02834 ?        ?        ?         ?        
1 1 1 12 40 0  o 113.0396 12.56510 132.7494   27.79794 132.7494   27.79794 132.7494   27.79794 113.0396 12.56510 113.0396 12.56510 -0.000000 0.000000 
1 1 1 12 40 1  o 250.3038 7.026044 627.4393   35.17290 627.4393   35.17290 ?          ?        250.3038 7.026044 ?        ?        ?         ?        
1 1 1 12 40 2  o 553.8797 12.23965 3081.601   135.5859 3081.601   135.5859 ?          ?        553.8797 12.23965 ?        ?        ?         ?        
1 1 1 12 40 3  o 295.1127 7.593217 872.5150   44.81709 872.5150   44.81709 ?          ?        295.1127 7.593217 ?        ?        ?         ?        
1 1 1 12 40 4  o 292.6513 7.754007 858.3325   45.38440 858.3325   45.38440 ?          ?        292.6513 7.754007 ?        ?        ?         ?        
1 1 1 12 40 5  o 270.7636 7.542734 734.6599   40.84595 734.6599   40.84595 ?          ?        270.7636 7.542734 ?        ?        ?         ?        
1 1 1 12 40 6  o 142.7561 7.550498 204.2298   21.55759 204.2298   21.55759 ?          ?        142.7561 7.550498 ?        ?        ?         ?        
1 1 1 12 40 7  o 189.7442 6.876633 360.8060   26.09603 360.8060   26.09603 ?          ?        189.7442 6.876633 ?        ?        ?         ?        
1 1 1 12 40 8  o 86.55113 11.47049 75.45156   19.85567 75.45156   19.85567 ?          ?        86.55113 11.47049 ?        ?        ?         ?        
1 1 1 12 40 9  o 272.7396 8.008094 747.1406   43.68248 747.1406   43.68248 ?          ?        272.7396 8.008094 ?        ?        ?         ?        
1 1 1 12 40 10 o 230.8314 6.758564 534.9686   31.20177 534.9686   31.20177 ?          ?        230.8314 6.758564 ?        ?        ?         ?        
1 1 1 12 40 11 o 137.3919 7.432383 190.0471   20.42298 190.0471   20.42298 ?          ?        137.3919 7.432383 ?        ?        ?         ?        
1 1 1 12 40 12 o 206.6020 6.727416 430.0172   27.79794 430.0172   27.79794 ?          ?        206.6020 6.727416 ?        ?        ?         ?        
1 1 1 12 40 13 o 139.0605 7.343197 195.7202   20.42298 195.7202   20.42298 ?          ?        139.0605 7.343197 ?        ?        ?         ?        
1 1 1 12 40 14 o 98.36378 8.651126 98.71106   17.01915 98.71106   17.01915 ?          ?        98.36378 8.651126 ?        ?        ?         ?        
1 1 1 12 40 15 o 80.38772 9.174243 66.37468   14.74993 66.37468   14.74993 ?          ?        80.38772 9.174243 ?        ?        ?         ?        
1 1 1 12 41 0  o 34.62626 21.16006 11.34610   27.23064 11.34610   27.23064 11.34610   27.23064 34.62626 21.16006 34.62626 21.16006 -0.000000 0.000000 
1 1 1 12 41 1  o 458.0178 10.28046 2104.701   94.17262 2104.701   94.17262 ?          ?        458.0178 10.28046 ?        ?        ?         ?        
1 1 1 12 41 2  o 454.6204 10.35728 2074.067   94.17262 2074.067   94.17262 ?          ?        454.6204 10.35728 ?        ?        ?         ?        
1 1 1 12 41 3  o 266.3685 7.134746 710.8331   38.00943 710.8331   38.00943 ?          ?        266.3685 7.134746 ?        ?        ?         ?        
1 1 1 12 41 4  o 338.5104 8.211843 1148.792   55.59589 1148.792   55.59589 ?          ?        338.5104 8.211843 ?        ?        ?         ?        
1 1 1 12 41 5  o 405.2208 10.07993 1648.021   81.69191 1648.021   81.69191 ?          ?        405.2208 10.07993 ?        ?        ?         ?        
1 1 1 12 41 6  o 381.1943 9.673498 1459.108   73.74965 1459.108   73.74965 ?          ?        381.1943 9.673498 ?        ?        ?         ?        
1 1 1 12 41 7  o 301.5360 7.619605 911.6590   45.95170 911.6590   45.95170 ?          ?        301.5360 7.619605 ?        ?        ?         ?        
1 1 1 12 41 8  o 208.9784 6.786646 437.9594   28.36525 437.9594   28.36525 ?          ?        208.9784 6.786646 ?        ?        ?         ?        
1 1 1 12 41 9  o 137.5546 7.836011 190.0471   21.55759 190.0471   21.55759 ?          ?        137.5546 7.836011 ?        ?        ?         ?        
1 1 1 12 41 10 o 136.7525 8.089392 188.3452   22.12490 188.3452   22.12490 ?          ?        136.7525 8.089392 ?        ?        ?         ?        
1 1 1 12 41 11 o 62.83218 13.48077 41.98057   16.45185 41.98057   16.45185 ?          ?        62.83218 13.48077 ?        ?        ?         ?        
1 1 1 12 41 12 f 54.52052 15.43222 31.76908   17.58645 31.76908   17.58645 ?          ?        54.52052 15.43222 ?        ?        ?         ?        
1 1 1 12 41 13 f 138.0833 7.189748 192.8837   19.85567 192.8837   19.85567 ?          ?        138.0833 7.189748 ?        ?        ?         ?        
1 1 1 12 41 14 o 230.1164 7.519153 537.8051   34.60560 537.8051   34.60560 ?          ?        230.1164 7.519153 ?        ?        ?         ?        
1 1 1 12 41 15 o 127.8813 7.541515 166.7877   19.28837 166.7877   19.28837 ?          ?        127.8813 7.541515 ?        ?        ?         ?        
1 1 1 12 42 0  o 91.63308 19.35435 94.73994   31.20177 94.73994   31.20177 94.73994   31.20177 91.63308 19.35435 91.63308 19.35435 -0.000000 0.000000 
1 1 1 12 42 1  o 155.4631 8.028084 242.2392   24.96142 242.2392   24.96142 ?          ?        155.4631 8.028084 ?        ?        ?         ?        
1 1 1 12 42 2  o 121.8405 11.64032 149.2012   28.36525 149.2012   28.36525 ?          ?        121.8405 11.64032 ?        ?        ?         ?        
1 1 1 12 42 3  f 362.2042 8.614415 1315.580   62.40355 1315.580   62.40355 ?          ?        362.2042 8.614415 ?        ?        ?         ?        
1 1 1 12 42 4  o 342.5225 9.689098 1177.158   66.37468 1177.158   66.37468 ?          ?        342.5225 9.689098 ?        ?        ?         ?        
1 1 1 12 42 5  o 383.2206 9.030205 1473.291   69.21120 1473.291   69.21120 ?          ?        383.2206 9.030205 ?        ?        ?         ?        
1 1 1 12 42 6  o 95.29313 11.31120 91.33610   21.55759 91.33610   21.55759 ?          ?        95.29313 11.31120 ?        ?        ?         ?        
1 1 1 12 42 7  o 254.6486 8.911181 651.2661   45.38440 651.2661   45.38440 ?          ?        254.6486 8.911181 ?        ?        ?         ?        
1 1 1 12 42 8  o 336.8797 8.251594 1140.283   55.59589 1140.283   55.59589 ?          ?        336.8797 8.251594 ?        ?        ?         ?        
1 1 1 12 42 9  o 179.7684 6.784873 324.4984   24.39412 324.4984   24.39412 ?          ?        179.7684 6.784873 ?        ?        ?         ?        
1 1 1 12 42 10 o 104.7572 10.28932 111.1918   21.55759 111.1918   21.55759 ?          ?        104.7572 10.28932 ?        ?        ?         ?        
1 1 1 12 42 11 o 54.00472 16.41048 30.63447   19.28837 30.63447   19.28837 ?          ?        54.00472 16.41048 ?        ?        ?         ?        
1 1 1 12 42 12 o 219.0915 6.861784 483.9111   30.06716 483.9111   30.06716 ?          ?        219.0915 6.861784 ?        ?        ?         ?        
1 1 1 12 42 13 o 205.6572 7.310020 428.8826   30.06716 428.8826   30.06716 ?          ?        205.6572 7.310020 ?        ?        ?         ?        
1 1 1 12 42 14 o 69.22639 12.77199 51.62476   17.01915 51.62476   17.01915 ?          ?        69.22639 12.77199 ?        ?        ?         ?        
1 1 1 12 42 15 o 142.7656 7.351312 207.6336   20.99029 207.6336   20.99029 ?          ?        142.7656 7.351312 ?        ?        ?         ?        
1 1 1 12 43 0  o 34.72508 21.78390 7.942269   30.63447 7.942269   30.63447 7.942269   30.63447 34.72508 21.78390 34.72508 21.78390 -0.000000 0.000000 
1 1 1 12 43 1  o 496.8661 11.36057 2480.824   112.8937 2480.824   112.8937 ?          ?        496.8661 11.36057 ?        ?        ?         ?        
1 1 1 12 43 2  o 297.8195 7.809932 888.9669   46.51900 888.9669   46.51900 ?          ?        297.8195 7.809932 ?        ?        ?         ?        
1 1 1 12 43 3  o 544.7252 12.13291 2982.889   132.1821 2982.889   132.1821 ?          ?        544.7252 12.13291 ?        ?        ?         ?        
1 1 1 12 43 4  o 92.66026 10.71423 86.23035   19.85567 86.23035   19.85567 ?          ?        92.66026 10.71423 ?        ?        ?         ?        
1 1 1 12 43 5  o 427.3558 9.889704 1834.664   84.52843 1834.664   84.52843 ?          ?        427.3558 9.889704 ?        ?        ?         ?        
1 1 1 12 43 6  o 675.3420 16.04450 4615.593   216.7105 4615.593   216.7105 ?          ?        675.3420 16.04450 ?        ?        ?         ?        
1 1 1 12 43 7  o 137.7155 9.268642 190.6145   25.52872 190.6145   25.52872 ?          ?        137.7155 9.268642 ?        ?        ?         ?        
1 1 1 12 43 8  o 198.6599 6.996366 395.9789   27.79794 395.9789   27.79794 ?          ?        198.6599 6.996366 ?        ?        ?         ?        
1 1 1 12 43 9  o 255.9607 7.092402 658.0737   36.30752 658.0737   36.30752 ?          ?        255.9607 7.092402 ?        ?        ?         ?        
1 1 1 12 43 10 o 125.7809 7.892962 159.4127   19.85567 159.4127   19.85567 ?          ?        125.7809 7.892962 ?        ?        ?         ?        
1 1 1 12 43 11 o 173.9887 7.173289 305.2101   24.96142 305.2101   24.96142 ?          ?        173.9887 7.173289 ?        ?        ?         ?        
1 1 1 12 43 12 o 105.7472 8.583561 113.4610   18.15376 113.4610   18.15376 ?          ?        105.7472 8.583561 ?        ?        ?         ?        
1 1 1 12 43 13 o 317.4123 9.651318 1030.793   61.26894 1030.793   61.26894 ?          ?        317.4123 9.651318 ?        ?        ?         ?        
1 1 1 12 43 14 o 299.2306 8.531455 916.1975   51.05745 916.1975   51.05745 ?          ?        299.2306 8.531455 ?        ?        ?         ?        
1 1 1 12 44 0  o 24.36855 16.90722 -18.15376  26.66333 -18.15376  26.66333 -18.15376  26.66333 24.36855 16.90722 24.36855 16.90722 -0.000000 0.000000 
1 1 1 12 44 1  o 139.7263 8.323235 195.7202   23.25950 195.7202   23.25950 ?          ?        139.7263 8.323235 ?        ?        ?         ?        
1 1 1 12 44 2  o 214.1817 6.886642 459.5170   29.49986 459.5170   29.49986 ?          ?        214.1817 6.886642 ?        ?        ?         ?        
1 1 1 12 44 3  o 614.6357 15.82934 3813.424   194.5856 3813.424   194.5856 ?          ?        614.6357 15.82934 ?        ?        ?         ?        
1 1 1 12 44 4  o 251.3229 7.223280 633.1123   36.30752 633.1123   36.30752 ?          ?        251.3229 7.223280 ?        ?        ?         ?        
1 1 1 12 44 5  o 266.5037 7.450432 711.9677   39.71135 711.9677   39.71135 ?          ?        266.5037 7.450432 ?        ?        ?         ?        
1 1 1 12 44 6  o 373.4221 9.039272 1400.676   67.50929 1400.676   67.50929 ?          ?        373.4221 9.039272 ?        ?        ?         ?        
1 1 1 12 44 7  o 166.5856 7.321796 278.5467   24.39412 278.5467   24.39412 ?          ?        166.5856 7.321796 ?        ?        ?         ?        
1 1 1 12 44 8  o 177.3704 7.356366 315.9889   26.09603 315.9889   26.09603 ?          ?        177.3704 7.356366 ?        ?        ?         ?        
1 1 1 12 44 9  o 283.5453 7.302760 808.9769   41.41326 808.9769   41.41326 ?          ?        283.5453 7.302760 ?        ?        ?         ?        
1 1 1 12 44 10 o 211.6832 6.833929 451.0074   28.93255 451.0074   28.93255 ?          ?        211.6832 6.833929 ?        ?        ?         ?        
1 1 1 12 44 11 o 108.9025 10.67905 120.8360   23.25950 120.8360   23.25950 ?          ?        108.9025 10.67905 ?        ?        ?         ?        
1 1 1 12 44 12 o 171.1891 6.793510 296.1332   23.25950 296.1332   23.25950 ?          ?        171.1891 6.793510 ?        ?        ?         ?        
1 1 1 12 44 13 o 227.4251 8.605921 527.5936   39.14404 527.5936   39.14404 ?          ?        227.4251 8.605921 ?        ?        ?         ?        
1 1 1 12 44 14 o 168.0872 7.087633 287.0563   23.82681 287.0563   23.82681 ?          ?        168.0872 7.087633 ?        ?        ?         ?        
1 1 1 12 45 0  o 431.2720 14.10817 1872.674   121.4033 1872.674   121.4033 1872.674   121.4033 431.2720 14.10817 431.2720 14.10817 -0.000000 0.000000 
1 1 1 12 45 1  o 354.8799 8.552419 1262.821   60.70163 1262.821   60.70163 ?          ?        354.8799 8.552419 ?        ?        ?         ?        
1 1 1 12 45 2  f 184.3049 7.233485 340.3830   26.66333 340.3830   26.66333 ?          ?        184.3049 7.233485 ?        ?        ?         ?        
1 1 1 12 45 3  o 408.8695 9.573726 1678.655   78.28809 1678.655   78.28809 ?          ?        408.8695 9.573726 ?        ?        ?         ?        
1 1 1 12 45 4  o 273.6109 7.567912 750.5444   41.41326 750.5444   41.41326 ?          ?        273.6109 7.567912 ?        ?        ?         ?        
1 1 1 12 45 5  o 232.5704 7.195884 542.3435   33.47099 542.3435   33.47099 ?          ?        232.5704 7.195884 ?        ?        ?         ?        
1 1 1 12 45 6  o 201.9520 6.882316 409.0269   27.79794 409.0269   27.79794 ?          ?        201.9520 6.882316 ?        ?        ?         ?        
1 1 1 12 45 7  o 56.45221 16.83283 32.90369   20.42298 32.90369   20.42298 ?          ?        56.45221 16.83283 ?        ?        ?         ?        
1 1 1 12 45 8  o 169.2236 7.040037 287.6236   23.82681 287.6236   23.82681 ?          ?        169.2236 7.040037 ?        ?        ?         ?        
1 1 1 12 45 9  o 153.9743 7.737267 238.8354   23.82681 238.8354   23.82681 ?          ?        153.9743 7.737267 ?        ?        ?         ?        
1 1 1 12 45 10 o 119.7985 8.997436 145.2301   21.55759 145.2301   21.55759 ?          ?        119.7985 8.997436 ?        ?        ?         ?        
1 1 1 12 45 11 o 229.0107 6.936157 528.7282   31.76908 528.7282   31.76908 ?          ?        229.0107 6.936157 ?        ?        ?         ?        
1 1 1 12 45 12 o 215.0228 6.859703 467.4593   29.49986 467.4593   29.49986 ?          ?        215.0228 6.859703 ?        ?        ?         ?        
1 1 1 12 45 13 o 249.2674 8.079405 632.5450   40.27865 632.5450   40.27865 ?          ?        249.2674 8.079405 ?        ?        ?         ?        
1 1 1 12 45 14 o 57.07544 14.79153 36.30752   17.01915 36.30752   17.01915 ?          ?        57.07544 14.79153 ?        ?        ?         ?        
1 1 1 12 46 0  o 50.78114 24.80802 38.57674   29.49986 38.57674   29.49986 38.57674   29.49986 50.78114 24.80802 50.78114 24.80802 -0.000000 0.000000 
1 1 1 12 46 1  o 265.3068 7.697872 705.7274   40.84595 705.7274   40.84595 ?          ?        265.3068 7.697872 ?        ?        ?         ?        
1 1 1 12 46 2  o 461.1335 10.58007 2137.605   97.57646 2137.605   97.57646 ?          ?        461.1335 10.58007 ?        ?        ?         ?        
1 1 1 12 46 3  o 277.0127 7.474977 769.2656   41.41326 769.2656   41.41326 ?          ?        277.0127 7.474977 ?        ?        ?         ?        
1 1 1 12 46 4  o 324.4733 8.217420 1056.322   53.32666 1056.322   53.32666 ?          ?        324.4733 8.217420 ?        ?        ?         ?        
1 1 1 12 46 5  o 125.4940 9.493206 158.2781   23.82681 158.2781   23.82681 ?          ?        125.4940 9.493206 ?        ?        ?         ?        
1 1 1 12 46 6  o 571.8849 12.89589 3308.522   147.4993 3308.522   147.4993 ?          ?        571.8849 12.89589 ?        ?        ?         ?        
1 1 1 12 46 7  o 222.8223 7.383393 498.6611   32.90369 498.6611   32.90369 ?          ?        222.8223 7.383393 ?        ?        ?         ?        
1 1 1 12 46 8  o 212.9238 6.794110 455.5459   28.93255 455.5459   28.93255 ?          ?        212.9238 6.794110 ?        ?        ?         ?        
1 1 1 12 46 9  o 36.31681 15.60577 -0.5673050 20.42298 -0.5673050 20.42298 ?          ?        36.31681 15.60577 ?        ?        ?         ?        
1 1 1 12 46 10 o 544.2977 13.39316 3048.129   145.7974 3048.129   145.7974 ?          ?        544.2977 13.39316 ?        ?        ?         ?        
1 1 1 12 46 11 o 110.5667 9.235595 124.2398   20.42298 124.2398   20.42298 ?          ?        110.5667 9.235595 ?        ?        ?         ?        
1 1 1 12 46 12 o 202.6304 6.579303 415.2672   26.66333 415.2672   26.66333 ?          ?        202.6304 6.579303 ?        ?        ?         ?        
1 1 1 12 46 13 o 121.6152 8.163318 150.9031   19.85567 150.9031   19.85567 ?          ?        121.6152 8.163318 ?        ?        ?         ?        
1 1 1 12 46 14 o 86.52393 11.47409 78.28809   19.85567 78.28809   19.85567 ?          ?        86.52393 11.47409 ?        ?        ?         ?        
1 1 1 12 47 0  o 388.9669 13.96794 1525.483   108.3553 1525.483   108.3553 1525.483   108.3553 388.9669 13.96794 388.9669 13.96794 -0.000000 0.000000 
1 1 1 12 47 1  o 69.64989 16.51885 51.05745   22.69220 51.05745   22.69220 ?          ?        69.64989 16.51885 ?        ?        ?         ?        
1 1 1 12 47 2  o 302.5773 7.687128 917.8995   46.51900 917.8995   46.51900 ?          ?        302.5773 7.687128 ?        ?        ?         ?        
1 1 1 12 47 3  o 249.6939 7.384005 625.1701   36.87482 625.1701   36.87482 ?          ?        249.6939 7.384005 ?        ?        ?         ?        
1 1 1 12 47 4  o 194.5187 7.436958 379.5270   28.93255 379.5270   28.93255 ?          ?        194.5187 7.436958 ?        ?        ?         ?        
1 1 1 12 47 5  o 185.5459 7.185104 345.4887   26.66333 345.4887   26.66333 ?          ?        185.5459 7.185104 ?        ?        ?         ?        
1 1 1 12 47 6  o 312.1983 8.177086 979.1684   51.05745 979.1684   51.05745 ?          ?        312.1983 8.177086 ?        ?        ?         ?        
1 1 1 12 47 7  o 333.5111 8.419988 1119.293   56.16319 1119.293   56.16319 ?          ?        333.5111 8.419988 ?        ?        ?         ?        
1 1 1 12 47 8  o 61.39731 16.99142 40.27865   21.55759 40.27865   21.55759 ?          ?        61.39731 16.99142 ?        ?        ?         ?        
1 1 1 12 47 9  o 122.8108 9.007714 152.6050   22.12490 152.6050   22.12490 ?          ?        122.8108 9.007714 ?        ?        ?         ?        
1 1 1 12 47 10 o 125.8636 9.014601 160.5473   22.69220 160.5473   22.69220 ?          ?        125.8636 9.014601 ?        ?        ?         ?        
1 1 1 12 47 11 o 195.9152 6.949597 388.0366   27.23064 388.0366   27.23064 ?          ?        195.9152 6.949597 ?        ?        ?         ?        
1 1 1 12 47 12 o 115.2975 8.856647 135.5859   20.42298 135.5859   20.42298 ?          ?        115.2975 8.856647 ?        ?        ?         ?        
1 1 1 12 47 13 o 62.37096 14.76367 43.11518   18.15376 43.11518   18.15376 ?          ?        62.37096 14.76367 ?        ?        ?         ?        
1 1 1 12 48 0  o 571.5775 18.25375 3302.850   208.2009 3302.850   208.2009 3302.850   208.2009 571.5775 18.25375 571.5775 18.25375 -0.000000 0.000000 
1 1 1 12 48 1  o 224.2549 7.589198 504.3341   34.03830 504.3341   34.03830 ?          ?        224.2549 7.589198 ?        ?        ?         ?        
1 1 1 12 48 2  f 172.8071 7.550626 299.5370   26.09603 299.5370   26.09603 ?          ?        172.8071 7.550626 ?        ?        ?         ?        
1 1 1 12 48 3  o 224.9984 7.311984 507.7379   32.90369 507.7379   32.90369 ?          ?        224.9984 7.311984 ?        ?        ?         ?        
1 1 1 12 48 4  o 138.9360 8.778905 194.0183   24.39412 194.0183   24.39412 ?          ?        138.9360 8.778905 ?        ?        ?         ?        
1 1 1 12 48 5  o 318.9297 8.093436 1021.716   51.62476 1021.716   51.62476 ?          ?        318.9297 8.093436 ?        ?        ?         ?        
1 1 1 12 48 6  o 28.15596 13.37717 -24.96142  20.42298 -24.96142  20.42298 ?          ?        28.15596 13.37717 ?        ?        ?         ?        
1 1 1 12 48 7  o 350.2403 8.827689 1236.725   61.83624 1236.725   61.83624 ?          ?        350.2403 8.827689 ?        ?        ?         ?        
1 1 1 12 48 8  o 105.7129 9.122995 112.8937   19.28837 112.8937   19.28837 ?          ?        105.7129 9.122995 ?        ?        ?         ?        
1 1 1 12 48 9  o 80.29523 11.65764 65.80738   18.72106 65.80738   18.72106 ?          ?        80.29523 11.65764 ?        ?        ?         ?        
1 1 1 12 48 10 f 185.3569 7.192432 346.6233   26.66333 346.6233   26.66333 ?          ?        185.3569 7.192432 ?        ?        ?         ?        
1 1 1 12 48 11 o 118.6060 8.370431 142.9609   19.85567 142.9609   19.85567 ?          ?        118.6060 8.370431 ?        ?        ?         ?        
1 1 1 12 48 12 o 227.6262 8.349091 528.1609   38.00943 528.1609   38.00943 ?          ?        227.6262 8.349091 ?        ?        ?         ?        
1 1 1 12 48 13 o 35.43927 15.42179 -0.5673050 20.42298 -0.5673050 20.42298 ?          ?        35.43927 15.42179 ?        ?        ?         ?        
1 1 1 12 49 0  o 156.0518 12.32942 249.0469   38.00943 249.0469   38.00943 249.0469   38.00943 156.0518 12.32942 156.0518 12.32942 -0.000000 0.000000 
1 1 1 12 49 1  o 485.3085 10.92975 2370.768   106.0860 2370.768   106.0860 ?          ?        485.3085 10.92975 ?        ?        ?         ?        
1 1 1 12 49 2  f 96.02806 12.40617 93.03801   23.82681 93.03801   23.82681 ?          ?        96.02806 12.40617 ?        ?        ?         ?        
1 1 1 12 49 3  o 364.5269 8.948596 1336.003   65.24007 1336.003   65.24007 ?          ?        364.5269 8.948596 ?        ?        ?         ?        
1 1 1 12 49 4  o 111.5549 10.42514 125.3744   23.25950 125.3744   23.25950 ?          ?        111.5549 10.42514 ?        ?        ?         ?        
1 1 1 12 49 5  o 287.2875 7.997511 829.3998   45.95170 829.3998   45.95170 ?          ?        287.2875 7.997511 ?        ?        ?         ?        
1 1 1 12 49 6  o 38.03916 15.94174 2.836525   20.42298 2.836525   20.42298 ?          ?        38.03916 15.94174 ?        ?        ?         ?        
1 1 1 12 49 7  o 357.2886 8.812323 1288.917   62.97085 1288.917   62.97085 ?          ?        357.2886 8.812323 ?        ?        ?         ?        
1 1 1 12 49 8  o 122.6628 8.556089 152.0377   20.99029 152.0377   20.99029 ?          ?        122.6628 8.556089 ?        ?        ?         ?        
1 1 1 12 49 9  o 264.3912 7.617246 705.7274   40.27865 705.7274   40.27865 ?          ?        264.3912 7.617246 ?        ?        ?         ?        
1 1 1 12 49 10 o 24.50051 11.96100 -34.60560  19.28837 -34.60560  19.28837 ?          ?        24.50051 11.96100 ?        ?        ?         ?        
1 1 1 12 49 11 o 65.61297 14.64188 47.08631   18.72106 47.08631   18.72106 ?          ?        65.61297 14.64188 ?        ?        ?         ?        
1 1 1 12 49 12 o 123.0676 8.758432 154.8743   21.55759 154.8743   21.55759 ?          ?        123.0676 8.758432 ?        ?        ?         ?        
1 1 1 12 49 13 o 149.9601 7.376928 229.1912   22.12490 229.1912   22.12490 ?          ?        149.9601 7.376928 ?        ?        ?         ?        
1 1 1 12 50 0  o 186.5825 10.71559 352.8637   39.71135 352.8637   39.71135 352.8637   39.71135 186.5825 10.71559 186.5825 10.71559 -0.000000 0.000000 
1 1 1 12 50 1  o 303.8940 8.027179 927.5436   48.78823 927.5436   48.78823 ?          ?        303.8940 8.027179 ?        ?        ?         ?        
1 1 1 12 50 2  o 154.2215 7.724865 238.8354   23.82681 238.8354   23.82681 ?          ?        154.2215 7.724865 ?        ?        ?         ?        
1 1 1 12 50 3  o 183.8279 7.560861 339.2484   27.79794 339.2484   27.79794 ?          ?        183.8279 7.560861 ?        ?        ?         ?        
1 1 1 12 50 4  o 232.5276 7.441183 542.9108   34.60560 542.9108   34.60560 ?          ?        232.5276 7.441183 ?        ?        ?         ?        
1 1 1 12 50 5  o 285.3712 7.653624 818.6210   43.68248 818.6210   43.68248 ?          ?        285.3712 7.653624 ?        ?        ?         ?        
1 1 1 12 50 6  o 106.4041 10.13006 114.5956   21.55759 114.5956   21.55759 ?          ?        106.4041 10.13006 ?        ?        ?         ?        
1 1 1 12 50 7  o 123.1177 9.215654 153.1723   22.69220 153.1723   22.69220 ?          ?        123.1177 9.215654 ?        ?        ?         ?        
1 1 1 12 50 8  o 25.65426 12.42811 -32.33638  19.85567 -32.33638  19.85567 ?          ?        25.65426 12.42811 ?        ?        ?         ?        
1 1 1 12 50 9  o 110.8435 9.724333 124.8071   21.55759 124.8071   21.55759 ?          ?        110.8435 9.724333 ?        ?        ?         ?        
1 1 1 12 50 10 o 195.0488 6.980470 384.6328   27.23064 384.6328   27.23064 ?          ?        195.0488 6.980470 ?        ?        ?         ?        
1 1 1 12 50 11 o 135.3408 8.592937 186.6433   23.25950 186.6433   23.25950 ?          ?        135.3408 8.592937 ?        ?        ?         ?        
1 1 1 12 50 12 o 88.52060 11.53572 81.69191   20.42298 81.69191   20.42298 ?          ?        88.52060 11.53572 ?        ?        ?         ?        
1 1 1 12 51 0  o 21.05892 15.39253 -64.67276  34.03830 -64.67276  34.03830 -64.67276  34.03830 21.05892 15.39253 21.05892 15.39253 -0.000000 0.000000 
1 1 1 12 51 1  o 235.8350 7.336826 558.2281   34.60560 558.2281   34.60560 ?          ?        235.8350 7.336826 ?        ?        ?         ?        
1 1 1 12 51 2  o 191.0458 7.720625 366.4790   29.49986 366.4790   29.49986 ?          ?        191.0458 7.720625 ?        ?        ?         ?        
1 1 1 12 51 3  o 320.9249 8.661822 1035.899   55.59589 1035.899   55.59589 ?          ?        320.9249 8.661822 ?        ?        ?         ?        
1 1 1 12 51 4  o 466.6549 10.81959 2200.576   100.9803 2200.576   100.9803 ?          ?        466.6549 10.81959 ?        ?        ?         ?        
1 1 1 12 51 5  o 209.5841 8.391119 442.4978   35.17290 442.4978   35.17290 ?          ?        209.5841 8.391119 ?        ?        ?         ?        
1 1 1 12 51 6  o 235.4202 7.108778 557.6608   33.47099 557.6608   33.47099 ?          ?        235.4202 7.108778 ?        ?        ?         ?        
1 1 1 12 51 7  f 42.35928 16.59379 11.91340   20.42298 11.91340   20.42298 ?          ?        42.35928 16.59379 ?        ?        ?         ?        
1 1 1 12 51 8  o 229.7110 7.161977 532.1321   32.90369 532.1321   32.90369 ?          ?        229.7110 7.161977 ?        ?        ?         ?        
1 1 1 12 51 9  o 163.3993 7.811762 270.0372   25.52872 270.0372   25.52872 ?          ?        163.3993 7.811762 ?        ?        ?         ?        
1 1 1 12 51 10 o 164.6169 7.237050 274.5756   23.82681 274.5756   23.82681 ?          ?        164.6169 7.237050 ?        ?        ?         ?        
1 1 1 12 51 11 o 110.0873 9.533476 124.2398   20.99029 124.2398   20.99029 ?          ?        110.0873 9.533476 ?        ?        ?         ?        
1 1 1 12 51 12 o 38.65982 15.92360 7.374964   19.85567 7.374964   19.85567 ?          ?        38.65982 15.92360 ?        ?        ?         ?        
1 1 1 12 52 0  o 483.4042 15.82162 2366.229   152.6050 2366.229   152.6050 2366.229   152.6050 483.4042 15.82162 483.4042 15.82162 -0.000000 0.000000 
1 1 1 12 52 1  f 224.0857 7.468347 504.3341   33.47099 504.3341   33.47099 ?          ?        224.0857 7.468347 ?        ?        ?         ?        
1 1 1 12 52 2  o 372.9263 9.051291 1400.676   67.50929 1400.676   67.50929 ?          ?        372.9263 9.051291 ?        ?        ?         ?        
1 1 1 12 52 3  o 311.2717 9.294951 976.3318   57.86510 976.3318   57.86510 ?          ?        311.2717 9.294951 ?        ?        ?         ?        
1 1 1 12 52 4  o 51.40412 18.32408 23.82681   23.82681 23.82681   23.82681 ?          ?        51.40412 18.32408 ?        ?        ?         ?        
1 1 1 12 52 5  o 82.95930 13.33479 70.34581   22.12490 70.34581   22.12490 ?          ?        82.95930 13.33479 ?        ?        ?         ?        
1 1 1 12 52 6  o 298.5319 9.311550 901.4476   55.59589 901.4476   55.59589 ?          ?        298.5319 9.311550 ?        ?        ?         ?        
1 1 1 12 52 7  o 150.1066 7.936629 227.4893   23.82681 227.4893   23.82681 ?          ?        150.1066 7.936629 ?        ?        ?         ?        
1 1 1 12 52 8  f 166.5921 7.662045 280.2487   25.52872 280.2487   25.52872 ?          ?        166.5921 7.662045 ?        ?        ?         ?        
1 1 1 12 52 9  o 139.2067 8.354304 196.8548   23.25950 196.8548   23.25950 ?          ?        139.2067 8.354304 ?        ?        ?         ?        
1 1 1 12 52 10 o 118.8956 8.827194 144.0954   20.99029 144.0954   20.99029 ?          ?        118.8956 8.827194 ?        ?        ?         ?        
1 1 1 12 52 11 o 29.90532 13.79579 -13.04801  19.28837 -13.04801  19.28837 ?          ?        29.90532 13.79579 ?        ?        ?         ?        
1 1 1 12 52 12 o 96.02274 10.63445 95.87454   20.42298 95.87454   20.42298 ?          ?        96.02274 10.63445 ?        ?        ?         ?        
1 1 1 12 53 0  o 213.1871 11.10722 460.6516   47.08631 460.6516   47.08631 460.6516   47.08631 213.1871 11.10722 213.1871 11.10722 -0.000000 0.000000 
1 1 1 12 53 1  o 270.1552 7.559721 733.5253   40.84595 733.5253   40.84595 ?          ?        270.1552 7.559721 ?        ?        ?         ?        
1 1 1 12 53 2  o 313.5698 7.960402 988.8126   49.92284 988.8126   49.92284 ?          ?        313.5698 7.960402 ?        ?        ?         ?        
1 1 1 12 53 3  o 184.4426 8.150820 342.6522   30.06716 342.6522   30.06716 ?          ?        184.4426 8.150820 ?        ?        ?         ?        
1 1 1 12 53 4  o 181.8502 7.487108 333.0080   27.23064 333.0080   27.23064 ?          ?        181.8502 7.487108 ?        ?        ?         ?        
1 1 1 12 53 5  f 57.24576 16.77016 34.60560   20.42298 34.60560   20.42298 ?          ?        57.24576 16.77016 ?        ?        ?         ?        
1 1 1 12 53 6  o 96.03539 15.06349 95.30723   28.93255 95.30723   28.93255 ?          ?        96.03539 15.06349 ?        ?        ?         ?        
1 1 1 12 53 7  o 71.56983 15.13084 55.02858   20.99029 55.02858   20.99029 ?          ?        71.56983 15.13084 ?        ?        ?         ?        
1 1 1 12 53 8  o 112.3673 10.34977 128.7782   23.25950 128.7782   23.25950 ?          ?        112.3673 10.34977 ?        ?        ?         ?        
1 1 1 12 53 9  o 46.47556 16.92501 19.85567   20.42298 19.85567   20.42298 ?          ?        46.47556 16.92501 ?        ?        ?         ?        
1 1 1 12 53 10 o 124.8855 8.176681 158.8454   20.42298 158.8454   20.42298 ?          ?        124.8855 8.176681 ?        ?        ?         ?        
1 1 1 12 53 11 o 106.4541 9.059480 116.2975   19.28837 116.2975   19.28837 ?          ?        106.4541 9.059480 ?        ?        ?         ?        
1 1 1 12 54 0  o 164.1682 11.87360 275.7102   38.57674 275.7102   38.57674 275.7102   38.57674 164.1682 11.87360 164.1682 11.87360 -0.000000 0.000000 
1 1 1 12 54 1  o 244.5842 7.422295 601.9106   36.30752 601.9106   36.30752 ?          ?        244.5842 7.422295 ?        ?        ?         ?        
1 1 1 12 54 2  o 171.0624 8.125088 294.9986   27.79794 294.9986   27.79794 ?          ?        171.0624 8.125088 ?        ?        ?         ?        
1 1 1 12 54 3  o 91.38010 12.41638 85.09574   22.69220 85.09574   22.69220 ?          ?        91.38010 12.41638 ?        ?        ?         ?        
1 1 1 12 54 4  o 214.7139 7.265893 464.0555   31.20177 464.0555   31.20177 ?          ?        214.7139 7.265893 ?        ?        ?         ?        
1 1 1 12 54 5  o 123.6895 9.173048 154.8743   22.69220 154.8743   22.69220 ?          ?        123.6895 9.173048 ?        ?        ?         ?        
1 1 1 12 54 6  o 110.2189 10.55150 123.6725   23.25950 123.6725   23.25950 ?          ?        110.2189 10.55150 ?        ?        ?         ?        
1 1 1 12 54 7  o 170.4531 7.488491 293.2967   25.52872 293.2967   25.52872 ?          ?        170.4531 7.488491 ?        ?        ?         ?        
1 1 1 12 54 8  o 75.40826 14.43245 61.26894   20.99029 61.26894   20.99029 ?          ?        75.40826 14.43245 ?        ?        ?         ?        
1 1 1 12 54 9  o 87.84677 11.94710 79.99000   20.99029 79.99000   20.99029 ?          ?        87.84677 11.94710 ?        ?        ?         ?        
1 1 1 12 54 10 o 89.50418 12.04278 83.39383   21.55759 83.39383   21.55759 ?          ?        89.50418 12.04278 ?        ?        ?         ?        
1 1 1 12 54 11 o 138.5745 8.187728 196.2875   22.69220 196.2875   22.69220 ?          ?        138.5745 8.187728 ?        ?        ?         ?        
1 1 1 12 55 0  o 105.5474 16.92950 119.7014   33.47099 119.7014   33.47099 119.7014   33.47099 105.5474 16.92950 105.5474 16.92950 -0.000000 0.000000 
1 1 1 12 55 1  o 113.7815 9.971831 131.0475   22.69220 131.0475   22.69220 ?          ?        113.7815 9.971831 ?        ?        ?         ?        
1 1 1 12 55 2  o 92.36125 11.97737 86.79766   22.12490 86.79766   22.12490 ?          ?        92.36125 11.97737 ?        ?        ?         ?        
1 1 1 12 55 3  o 144.8354 8.225477 211.6048   23.82681 211.6048   23.82681 ?          ?        144.8354 8.225477 ?        ?        ?         ?        
1 1 1 12 55 4  o 41.36137 16.74447 8.509575   21.55759 8.509575   21.55759 ?          ?        41.36137 16.74447 ?        ?        ?         ?        
1 1 1 12 55 5  o 60.28605 16.47447 39.14404   20.42298 39.14404   20.42298 ?          ?        60.28605 16.47447 ?        ?        ?         ?        
1 1 1 12 55 6  f 347.7429 8.646379 1224.244   60.13433 1224.244   60.13433 ?          ?        347.7429 8.646379 ?        ?        ?         ?        
1 1 1 12 55 7  o 112.3669 11.10711 129.3455   24.96142 129.3455   24.96142 ?          ?        112.3669 11.10711 ?        ?        ?         ?        
1 1 1 12 55 8  o 102.9526 10.74518 108.9226   22.12490 108.9226   22.12490 ?          ?        102.9526 10.74518 ?        ?        ?         ?        
1 1 1 12 55 9  o 37.30918 16.44085 -3.403830  23.82681 -3.403830  23.82681 ?          ?        37.30918 16.44085 ?        ?        ?         ?        
1 1 1 12 55 10 o 45.86374 17.09104 19.28837   20.99029 19.28837   20.99029 ?          ?        45.86374 17.09104 ?        ?        ?         ?        
1 1 1 12 55 11 o 123.6347 8.947692 157.1435   22.12490 157.1435   22.12490 ?          ?        123.6347 8.947692 ?        ?        ?         ?        
1 1 1 12 56 0  o 220.9856 10.18668 494.6899   44.81709 494.6899   44.81709 494.6899   44.81709 220.9856 10.18668 220.9856 10.18668 -0.000000 0.000000 
1 1 1 12 56 1  o 32.77998 14.97842 -14.18262  22.12490 -14.18262  22.12490 ?          ?        32.77998 14.97842 ?        ?        ?         ?        
1 1 1 12 56 2  o 110.6018 10.51498 124.2398   23.25950 124.2398   23.25950 ?          ?        110.6018 10.51498 ?        ?        ?         ?        
1 1 1 12 56 3  o 240.6375 7.426153 583.7568   35.74022 583.7568   35.74022 ?          ?        240.6375 7.426153 ?        ?        ?         ?        
1 1 1 12 56 4  o 157.7199 8.093057 251.3161   25.52872 251.3161   25.52872 ?          ?        157.7199 8.093057 ?        ?        ?         ?        
1 1 1 12 56 5  f 252.3798 7.417813 642.7565   37.44213 642.7565   37.44213 ?          ?        252.3798 7.417813 ?        ?        ?         ?        
1 1 1 12 56 6  o 125.9215 9.460975 161.1146   23.82681 161.1146   23.82681 ?          ?        125.9215 9.460975 ?        ?        ?         ?        
1 1 1 12 56 7  o 140.1737 8.499028 199.6914   23.82681 199.6914   23.82681 ?          ?        140.1737 8.499028 ?        ?        ?         ?        
1 1 1 12 56 8  o 94.87987 12.55630 93.60532   23.82681 93.60532   23.82681 ?          ?        94.87987 12.55630 ?        ?        ?         ?        
1 1 1 12 56 9  o 64.01681 15.62389 45.38440   19.85567 45.38440   19.85567 ?          ?        64.01681 15.62389 ?        ?        ?         ?        
1 1 1 12 56 10 o 19.17060 9.763541 -73.18234  19.85567 -73.18234  19.85567 ?          ?        19.17060 9.763541 ?        ?        ?         ?        
1 1 1 12 57 0  o 63.18688 25.45080 57.29780   31.20177 57.29780   31.20177 57.29780   31.20177 63.18688 25.45080 63.18688 25.45080 -0.000000 0.000000 
1 1 1 12 57 1  f 219.3919 7.240257 485.0457   31.76908 485.0457   31.76908 ?          ?        219.3919 7.240257 ?        ?        ?         ?        
1 1 1 12 57 2  o 37.89986 16.15099 1.134610   21.55759 1.134610   21.55759 ?          ?        37.89986 16.15099 ?        ?        ?         ?        
1 1 1 12 57 3  o 44.28464 17.28702 13.61532   22.12490 13.61532   22.12490 ?          ?        44.28464 17.28702 ?        ?        ?         ?        
1 1 1 12 57 4  o 178.2597 7.956159 321.0946   28.36525 321.0946   28.36525 ?          ?        178.2597 7.956159 ?        ?        ?         ?        
1 1 1 12 57 5  o 133.0073 8.743694 179.2684   23.25950 179.2684   23.25950 ?          ?        133.0073 8.743694 ?        ?        ?         ?        
1 1 1 12 57 6  o 161.7112 8.244120 265.4987   26.66333 265.4987   26.66333 ?          ?        161.7112 8.244120 ?        ?        ?         ?        
1 1 1 12 57 7  f 270.1755 7.769130 741.4675   41.98057 741.4675   41.98057 ?          ?        270.1755 7.769130 ?        ?        ?         ?        
1 1 1 12 57 8  o 85.13587 13.32705 76.01886   22.69220 76.01886   22.69220 ?          ?        85.13587 13.32705 ?        ?        ?         ?        
1 1 1 12 57 9  f 179.2280 7.754912 327.3350   27.79794 327.3350   27.79794 ?          ?        179.2280 7.754912 ?        ?        ?         ?        
1 1 1 12 57 10 o 218.3417 7.275082 485.6130   31.76908 485.6130   31.76908 ?          ?        218.3417 7.275082 ?        ?        ?         ?        
1 1 1 12 58 0  o 171.0102 11.55208 299.5370   39.14404 299.5370   39.14404 299.5370   39.14404 171.0102 11.55208 171.0102 11.55208 -0.000000 0.000000 
1 1 1 12 58 1  o 193.0567 8.080985 376.6905   31.20177 376.6905   31.20177 ?          ?        193.0567 8.080985 ?        ?        ?         ?        
1 1 1 12 58 2  o 189.3711 7.489329 361.9406   28.36525 361.9406   28.36525 ?          ?        189.3711 7.489329 ?        ?        ?         ?        
1 1 1 12 58 3  o 163.2156 8.341924 269.4698   27.23064 269.4698   27.23064 ?          ?        163.2156 8.341924 ?        ?        ?         ?        
1 1 1 12 58 4  o 53.65971 18.18203 28.93255   23.25950 28.93255   23.25950 ?          ?        53.65971 18.18203 ?        ?        ?         ?        
1 1 1 12 58 5  o 69.39244 16.21732 52.75936   22.12490 52.75936   22.12490 ?          ?        69.39244 16.21732 ?        ?        ?         ?        
1 1 1 12 58 6  o 74.66843 17.40065 61.83624   25.52872 61.83624   25.52872 ?          ?        74.66843 17.40065 ?        ?        ?         ?        
1 1 1 12 58 7  o 89.18539 13.99412 83.39383   24.96142 83.39383   24.96142 ?          ?        89.18539 13.99412 ?        ?        ?         ?        
1 1 1 12 58 8  o 215.4218 7.768710 471.9977   33.47099 471.9977   33.47099 ?          ?        215.4218 7.768710 ?        ?        ?         ?        
1 1 1 12 58 9  f 37.79142 16.12931 2.836525   21.55759 2.836525   21.55759 ?          ?        37.79142 16.12931 ?        ?        ?         ?        
1 1 1 12 59 0  o 214.4618 11.30874 468.5939   48.22092 468.5939   48.22092 468.5939   48.22092 214.4618 11.30874 214.4618 11.30874 -0.000000 0.000000 
1 1 1 12 59 1  o 198.4364 7.718965 397.6808   30.63447 397.6808   30.63447 ?          ?        198.4364 7.718965 ?        ?        ?         ?        
1 1 1 12 59 2  o 114.2155 10.18229 132.7494   23.25950 132.7494   23.25950 ?          ?        114.2155 10.18229 ?        ?        ?         ?        
1 1 1 12 59 3  o 51.27539 17.92143 25.52872   22.69220 25.52872   22.69220 ?          ?        51.27539 17.92143 ?        ?        ?         ?        
1 1 1 12 59 4  o 200.0702 7.372375 405.0558   29.49986 405.0558   29.49986 ?          ?        200.0702 7.372375 ?        ?        ?         ?        
1 1 1 12 59 5  o 155.8700 8.917028 247.3450   27.79794 247.3450   27.79794 ?          ?        155.8700 8.917028 ?        ?        ?         ?        
1 1 1 12 59 6  o 27.97489 13.53383 -35.17290  23.25950 -35.17290  23.25950 ?          ?        27.97489 13.53383 ?        ?        ?         ?        
1 1 1 12 59 7  o 167.2883 7.969277 284.7871   26.66333 284.7871   26.66333 ?          ?        167.2883 7.969277 ?        ?        ?         ?        
1 1 1 12 59 8  o 157.2431 8.117599 252.4507   25.52872 252.4507   25.52872 ?          ?        157.2431 8.117599 ?        ?        ?         ?        
1 1 1 12 59 9  f 48.78028 17.63063 23.82681   22.12490 23.82681   22.12490 ?          ?        48.78028 17.63063 ?        ?        ?         ?        
1 1 1 12 60 0  o 82.91769 24.07111 86.79766   34.60560 86.79766   34.60560 86.79766   34.60560 82.91769 24.07111 82.91769 24.07111 -0.000000 0.000000 
1 1 1 12 60 1  o 132.0904 9.663351 177.5665   25.52872 177.5665   25.52872 ?          ?        132.0904 9.663351 ?        ?        ?         ?        
1 1 1 12 60 2  o 123.7820 10.31197 156.5762   25.52872 156.5762   25.52872 ?          ?        123.7820 10.31197 ?        ?        ?         ?        
1 1 1 12 60 3  o 49.16087 18.04653 22.12490   23.25950 22.12490   23.25950 ?          ?        49.16087 18.04653 ?        ?        ?         ?        
1 1 1 12 60 4  o 208.7881 7.743828 441.9306   32.33638 441.9306   32.33638 ?          ?        208.7881 7.743828 ?        ?        ?         ?        
1 1 1 12 60 5  o 266.3818 7.879774 721.0446   41.98057 721.0446   41.98057 ?          ?        266.3818 7.879774 ?        ?        ?         ?        
1 1 1 12 60 6  o 116.5446 9.978801 139.5570   23.25950 139.5570   23.25950 ?          ?        116.5446 9.978801 ?        ?        ?         ?        
1 1 1 12 60 7  o 37.32687 16.24980 -0.5673050 22.69220 -0.5673050 22.69220 ?          ?        37.32687 16.24980 ?        ?        ?         ?        
1 1 1 12 60 8  o 141.6169 8.612713 205.3644   24.39412 205.3644   24.39412 ?          ?        141.6169 8.612713 ?        ?        ?         ?        
1 1 1 12 61 0  o 331.9111 11.82635 1123.264   78.28809 1123.264   78.28809 1123.264   78.28809 331.9111 11.82635 331.9111 11.82635 -0.000000 0.000000 
1 1 1 12 61 1  o 198.7858 8.133475 401.0846   32.33638 401.0846   32.33638 ?          ?        198.7858 8.133475 ?        ?        ?         ?        
1 1 1 12 61 2  o 176.8484 9.302796 318.8254   32.90369 318.8254   32.90369 ?          ?        176.8484 9.302796 ?        ?        ?         ?        
1 1 1 12 61 3  o 54.59170 17.73299 31.76908   22.12490 31.76908   22.12490 ?          ?        54.59170 17.73299 ?        ?        ?         ?        
1 1 1 12 61 4  o 141.3744 9.229403 204.2298   26.09603 204.2298   26.09603 ?          ?        141.3744 9.229403 ?        ?        ?         ?        
1 1 1 12 61 5  f 126.8228 10.51204 165.6530   26.66333 165.6530   26.66333 ?          ?        126.8228 10.51204 ?        ?        ?         ?        
1 1 1 12 61 6  o 72.90620 17.02231 59.56702   24.39412 59.56702   24.39412 ?          ?        72.90620 17.02231 ?        ?        ?         ?        
1 1 1 12 61 7  o 72.88226 16.35994 59.56702   23.25950 59.56702   23.25950 ?          ?        72.88226 16.35994 ?        ?        ?         ?        
1 1 1 12 61 8  o 183.4147 8.196499 344.3541   30.06716 344.3541   30.06716 ?          ?        183.4147 8.196499 ?        ?        ?         ?        
1 1 1 12 62 0  o 22.45601 16.38139 -66.94199  38.00943 -66.94199  38.00943 -66.94199  38.00943 22.45601 16.38139 22.45601 16.38139 -0.000000 0.000000 
1 1 1 12 62 1  o 77.69572 15.14353 65.80738   22.69220 65.80738   22.69220 ?          ?        77.69572 15.14353 ?        ?        ?         ?        
1 1 1 12 62 2  o 109.3997 12.70476 124.8071   27.79794 124.8071   27.79794 ?          ?        109.3997 12.70476 ?        ?        ?         ?        
1 1 1 12 62 3  o 73.30676 16.96163 59.56702   24.39412 59.56702   24.39412 ?          ?        73.30676 16.96163 ?        ?        ?         ?        
1 1 1 12 62 4  o 100.0517 12.47426 104.3841   24.96142 104.3841   24.96142 ?          ?        100.0517 12.47426 ?        ?        ?         ?        
1 1 1 12 62 5  o 167.9338 10.64116 291.0274   35.74022 291.0274   35.74022 ?          ?        167.9338 10.64116 ?        ?        ?         ?        
1 1 1 12 62 6  o 116.8828 10.92066 141.8262   25.52872 141.8262   25.52872 ?          ?        116.8828 10.92066 ?        ?        ?         ?        
1 1 1 12 62 7  o 185.0765 7.663113 349.4599   28.36525 349.4599   28.36525 ?          ?        185.0765 7.663113 ?        ?        ?         ?        
1 1 1 12 63 0  o 288.7731 11.73093 852.0920   67.50929 852.0920   67.50929 852.0920   67.50929 288.7731 11.73093 288.7731 11.73093 -0.000000 0.000000 
1 1 1 12 63 1  o 108.1497 12.32705 121.4033   26.66333 121.4033   26.66333 ?          ?        108.1497 12.32705 ?        ?        ?         ?        
1 1 1 12 63 2  o 222.6012 7.645577 503.1995   34.03830 503.1995   34.03830 ?          ?        222.6012 7.645577 ?        ?        ?         ?        
1 1 1 12 63 3  o 57.91215 18.36242 36.87482   23.82681 36.87482   23.82681 ?          ?        57.91215 18.36242 ?        ?        ?         ?        
1 1 1 12 63 4  o 63.79258 18.49275 45.95170   24.96142 45.95170   24.96142 ?          ?        63.79258 18.49275 ?        ?        ?         ?        
1 1 1 12 63 5  o 84.13134 15.04043 77.72078   24.39412 77.72078   24.39412 ?          ?        84.13134 15.04043 ?        ?        ?         ?        
1 1 1 12 63 6  o 131.9876 9.885785 179.8357   26.09603 179.8357   26.09603 ?          ?        131.9876 9.885785 ?        ?        ?         ?        
1 1 1 12 63 7  o 59.97709 17.41800 40.84595   22.12490 40.84595   22.12490 ?          ?        59.97709 17.41800 ?        ?        ?         ?        
1 1 1 12 64 0  o 158.2439 12.52199 260.3930   39.14404 260.3930   39.14404 260.3930   39.14404 158.2439 12.52199 158.2439 12.52199 -0.000000 0.000000 
1 1 1 12 64 1  o 35.00185 15.76771 -8.509575  23.25950 -8.509575  23.25950 ?          ?        35.00185 15.76771 ?        ?        ?         ?        
1 1 1 12 64 2  o 104.0838 12.26355 112.8937   25.52872 112.8937   25.52872 ?          ?        104.0838 12.26355 ?        ?        ?         ?        
1 1 1 12 64 3  o 34.60688 15.58285 -7.942269  22.69220 -7.942269  22.69220 ?          ?        34.60688 15.58285 ?        ?        ?         ?        
1 1 1 12 64 4  o 155.4777 8.939527 247.9123   27.79794 247.9123   27.79794 ?          ?        155.4777 8.939527 ?        ?        ?         ?        
1 1 1 12 64 5  o 84.94713 13.69058 76.58617   23.25950 76.58617   23.25950 ?          ?        84.94713 13.69058 ?        ?        ?         ?        
1 1 1 12 64 6  o 45.46424 17.55645 17.58645   22.69220 17.58645   22.69220 ?          ?        45.46424 17.55645 ?        ?        ?         ?        
1 1 1 12 65 0  f 92.37305 20.79903 101.5476   33.47099 101.5476   33.47099 101.5476   33.47099 92.37305 20.79903 92.37305 20.79903 -0.000000 0.000000 
1 1 1 12 65 1  o 179.3498 8.224113 328.4696   29.49986 328.4696   29.49986 ?          ?        179.3498 8.224113 ?        ?        ?         ?        
1 1 1 12 65 2  o 39.56011 17.12954 1.134610   24.96142 1.134610   24.96142 ?          ?        39.56011 17.12954 ?        ?        ?         ?        
1 1 1 12 65 3  o 110.1458 11.58860 126.5090   25.52872 126.5090   25.52872 ?          ?        110.1458 11.58860 ?        ?        ?         ?        
1 1 1 12 65 4  o 282.0165 8.146989 812.9480   45.95170 812.9480   45.95170 ?          ?        282.0165 8.146989 ?        ?        ?         ?        
1 1 1 12 65 5  o 85.08489 16.93633 81.69191   27.79794 81.69191   27.79794 ?          ?        85.08489 16.93633 ?        ?        ?         ?        
1 1 1 12 66 0  o 216.3358 11.47532 481.6419   49.35553 481.6419   49.35553 481.6419   49.35553 216.3358 11.47532 216.3358 11.47532 -0.000000 0.000000 
1 1 1 12 66 1  o 113.9396 11.20275 135.0186   25.52872 135.0186   25.52872 ?          ?        113.9396 11.20275 ?        ?        ?         ?        
1 1 1 12 66 2  o 55.61376 19.04829 33.47099   25.52872 33.47099   25.52872 ?          ?        55.61376 19.04829 ?        ?        ?         ?        
1 1 1 12 66 3  o 112.0383 10.63333 130.4801   23.82681 130.4801   23.82681 ?          ?        112.0383 10.63333 ?        ?        ?         ?        
1 1 1 12 66 4  o 101.6777 14.22757 110.6245   28.93255 110.6245   28.93255 ?          ?        101.6777 14.22757 ?        ?        ?         ?        
1 1 1 12 67 0  o 29.93300 20.87597 -27.79794  43.11518 -27.79794  43.11518 -27.79794  43.11518 29.93300 20.87597 29.93300 20.87597 -0.000000 0.000000 
1 1 1 12 67 1  o 104.3564 12.77513 115.1629   26.66333 115.1629   26.66333 ?          ?        104.3564 12.77513 ?        ?        ?         ?        
1 1 1 12 67 2  o 36.18676 16.31614 -7.942269  24.96142 -7.942269  24.96142 ?          ?        36.18676 16.31614 ?        ?        ?         ?        
1 1 1 13 0  1  o 164.9588 7.426339 274.0083   24.39412 274.0083   24.39412 274.0083   24.39412 164.9588 7.426339 164.9588 7.426339 -0.000000 0.000000 
1 1 1 13 0  2  o 48.37513 19.02821 32.33638   17.58645 32.33638   17.58645 32.33638   17.58645 48.37513 19.02821 48.37513 19.02821 -0.000000 0.000000 
1 1 1 13 0  3  o 509.2811 12.82828 2605.632   130.4801 2605.632   130.4801 2605.632   130.4801 509.2811 12.82828 509.2811 12.82828 -0.000000 0.000000 
1 1 1 13 0  4  o 277.3729 7.169087 771.5348   39.71135 771.5348   39.71135 771.5348   39.71135 277.3729 7.169087 277.3729 7.169087 -0.000000 0.000000 
1 1 1 13 0  5  o 166.9410 6.649453 280.2487   22.12490 280.2487   22.12490 280.2487   22.12490 166.9410 6.649453 166.9410 6.649453 -0.000000 0.000000 
1 1 1 13 0  6  o 416.2191 9.141887 1737.088   76.01886 1737.088   76.01886 1737.088   76.01886 416.2191 9.141887 416.2191 9.141887 -0.000000 0.000000 
1 1 1 13 0  7  o 147.4371 10.10029 220.6816   29.49986 220.6816   29.49986 220.6816   29.49986 147.4371 10.10029 147.4371 10.10029 -0.000000 0.000000 
1 1 1 13 0  8  o 139.0918 9.469947 196.2875   26.09603 196.2875   26.09603 196.2875   26.09603 139.0918 9.469947 139.0918 9.469947 -0.000000 0.000000 
1 1 1 13 0  9  o 63.40174 14.39328 45.95170   15.88454 45.95170   15.88454 45.95170   15.88454 63.40174 14.39328 63.40174 14.39328 -0.000000 0.000000 
1 1 1 13 0  10 o 406.5945 18.35829 1670.146   148.6339 1670.146   148.6339 1670.146   148.6339 406.5945 18.35829 406.5945 18.35829 -0.000000 0.000000 
1 1 1 13 0  11 o 231.8109 10.07484 541.2089   46.51900 541.2089   46.51900 541.2089   46.51900 231.8109 10.07484 231.8109 10.07484 -0.000000 0.000000 
1 1 1 13 0  12 o 109.1552 10.30516 122.5379   22.12490 122.5379   22.12490 122.5379   22.12490 109.1552 10.30516 109.1552 10.30516 -0.000000 0.000000 
1 1 1 13 0  13 f 254.1783 10.75479 651.2661   54.46128 651.2661   54.46128 651.2661   54.46128 254.1783 10.75479 254.1783 10.75479 -0.000000 0.000000 
1 1 1 13 0  14 o 313.5252 12.43714 992.7838   77.72078 992.7838   77.72078 992.7838   77.72078 313.5252 12.43714 313.5252 12.43714 -0.000000 0.000000 
1 1 1 13 0  15 o 44.77880 21.28323 30.06716   21.55759 30.06716   21.55759 30.06716   21.55759 44.77880 21.28323 44.77880 21.28323 -0.000000 0.000000 
1 1 1 13 0  16 o 302.0297 12.82240 928.1110   77.15348 928.1110   77.15348 928.1110   77.15348 302.0297 12.82240 302.0297 12.82240 -0.000000 0.000000 
1 1 1 13 0  17 o 279.6464 12.53028 799.9000   69.77851 799.9000   69.77851 799.9000   69.77851 279.6464 12.53028 279.6464 12.53028 -0.000000 0.000000 
1 1 1 13 0  18 o 20.71590 14.63847 -21.55759  22.69220 -21.55759  22.69220 -21.55759  22.69220 20.71590 14.63847 20.71590 14.63847 -0.000000 0.000000 
1 1 1 13 0  19 o 21.85948 15.27019 -17.58645  23.25950 -17.58645  23.25950 -17.58645  23.25950 21.85948 15.27019 21.85948 15.27019 -0.000000 0.000000 
1 1 1 13 1  0  o 347.8975 9.883150 1215.167   68.64390 1215.167   68.64390 1215.167   68.64390 347.8975 9.883150 347.8975 9.883150 -0.000000 0.000000 
1 1 1 13 1  1  o 553.7052 9.118596 3074.226   100.9803 3074.226   100.9803 ?          ?        553.7052 9.118596 ?        ?        ?         ?        
1 1 1 13 1  2  o 527.2509 9.576113 2788.304   100.9803 2788.304   100.9803 ?          ?        527.2509 9.576113 ?        ?        ?         ?        
1 1 1 13 1  3  o 186.5619 4.865346 348.3253   18.15376 348.3253   18.15376 ?          ?        186.5619 4.865346 ?        ?        ?         ?        
1 1 1 13 1  4  o 205.5179 4.416588 422.6422   18.15376 422.6422   18.15376 ?          ?        205.5179 4.416588 ?        ?        ?         ?        
1 1 1 13 1  5  o 131.6995 4.738328 173.5953   12.48071 173.5953   12.48071 ?          ?        131.6995 4.738328 ?        ?        ?         ?        
1 1 1 13 1  6  o 322.7501 5.712596 1042.707   36.87482 1042.707   36.87482 ?          ?        322.7501 5.712596 ?        ?        ?         ?        
1 1 1 13 1  7  o 518.5461 11.26851 2696.968   116.8648 2696.968   116.8648 ?          ?        518.5461 11.26851 ?        ?        ?         ?        
1 1 1 13 1  8  f 171.1675 7.954386 293.2967   27.23064 293.2967   27.23064 ?          ?        171.1675 7.954386 ?        ?        ?         ?        
1 1 1 13 1  9  f 286.5678 6.829806 822.0249   39.14404 822.0249   39.14404 ?          ?        286.5678 6.829806 ?        ?        ?         ?        
1 1 1 13 1  10 o 221.8869 7.286681 492.9881   32.33638 492.9881   32.33638 ?          ?        221.8869 7.286681 ?        ?        ?         ?        
1 1 1 13 1  11 o 232.8371 6.943992 542.9108   32.33638 542.9108   32.33638 ?          ?        232.8371 6.943992 ?        ?        ?         ?        
1 1 1 13 1  12 o 75.94473 9.337465 57.86510   14.18262 57.86510   14.18262 ?          ?        75.94473 9.337465 ?        ?        ?         ?        
1 1 1 13 1  13 o 197.9160 6.879341 392.5750   27.23064 392.5750   27.23064 ?          ?        197.9160 6.879341 ?        ?        ?         ?        
1 1 1 13 1  14 o 294.4815 7.802137 870.8131   45.95170 870.8131   45.95170 ?          ?        294.4815 7.802137 ?        ?        ?         ?        
1 1 1 13 1  15 o 58.66987 12.91892 36.30752   14.74993 36.30752   14.74993 ?          ?        58.66987 12.91892 ?        ?        ?         ?        
1 1 1 13 1  16 o 273.1258 8.204477 753.3810   44.81709 753.3810   44.81709 ?          ?        273.1258 8.204477 ?        ?        ?         ?        
1 1 1 13 1  17 o 71.29062 11.14069 52.19205   15.88454 52.19205   15.88454 ?          ?        71.29062 11.14069 ?        ?        ?         ?        
1 1 1 13 1  18 o 95.63918 9.194167 93.60532   17.58645 93.60532   17.58645 ?          ?        95.63918 9.194167 ?        ?        ?         ?        
1 1 1 13 1  19 o 49.11073 15.79637 26.09603   17.58645 26.09603   17.58645 ?          ?        49.11073 15.79637 ?        ?        ?         ?        
1 1 1 13 2  0  o 199.9971 7.826595 402.2192   31.20177 402.2192   31.20177 402.2192   31.20177 199.9971 7.826595 199.9971 7.826595 -0.000000 0.000000 
1 1 1 13 2  1  f 133.1972 5.110965 177.5665   13.61532 177.5665   13.61532 ?          ?        133.1972 5.110965 ?        ?        ?         ?        
1 1 1 13 2  2  o 456.0384 7.090715 2083.144   64.67276 2083.144   64.67276 ?          ?        456.0384 7.090715 ?        ?        ?         ?        
1 1 1 13 2  3  o 350.7199 6.227545 1231.619   43.68248 1231.619   43.68248 ?          ?        350.7199 6.227545 ?        ?        ?         ?        
1 1 1 13 2  4  o 28.33077 11.87809 1.134610   11.34610 1.134610   11.34610 ?          ?        28.33077 11.87809 ?        ?        ?         ?        
1 1 1 13 2  5  o 287.4848 6.216018 827.6979   35.74022 827.6979   35.74022 ?          ?        287.4848 6.216018 ?        ?        ?         ?        
1 1 1 13 2  6  o 290.2239 7.134710 843.5825   41.41326 843.5825   41.41326 ?          ?        290.2239 7.134710 ?        ?        ?         ?        
1 1 1 13 2  7  o 495.4524 14.42731 2466.642   142.9609 2466.642   142.9609 ?          ?        495.4524 14.42731 ?        ?        ?         ?        
1 1 1 13 2  8  o 117.3629 7.008961 137.8551   16.45185 137.8551   16.45185 ?          ?        117.3629 7.008961 ?        ?        ?         ?        
1 1 1 13 2  9  o 434.5718 12.53217 1894.798   108.9226 1894.798   108.9226 ?          ?        434.5718 12.53217 ?        ?        ?         ?        
1 1 1 13 2  10 o 106.4639 6.394338 113.4610   13.61532 113.4610   13.61532 ?          ?        106.4639 6.394338 ?        ?        ?         ?        
1 1 1 13 2  11 f 364.7595 9.798297 1334.301   71.48043 1334.301   71.48043 ?          ?        364.7595 9.798297 ?        ?        ?         ?        
1 1 1 13 2  12 o 465.5907 12.06278 2179.586   112.3264 2179.586   112.3264 ?          ?        465.5907 12.06278 ?        ?        ?         ?        
1 1 1 13 2  13 o 71.26266 10.74703 51.05745   15.31723 51.05745   15.31723 ?          ?        71.26266 10.74703 ?        ?        ?         ?        
1 1 1 13 2  14 o 290.3231 7.816189 846.4190   45.38440 846.4190   45.38440 ?          ?        290.3231 7.816189 ?        ?        ?         ?        
1 1 1 13 2  15 o 227.0871 7.619455 518.5167   34.60560 518.5167   34.60560 ?          ?        227.0871 7.619455 ?        ?        ?         ?        
1 1 1 13 2  16 o 166.7233 6.465078 279.6813   21.55759 279.6813   21.55759 ?          ?        166.7233 6.465078 ?        ?        ?         ?        
1 1 1 13 2  17 o 178.0064 6.692681 319.9600   23.82681 319.9600   23.82681 ?          ?        178.0064 6.692681 ?        ?        ?         ?        
1 1 1 13 2  18 o 148.8657 7.050073 224.6528   20.99029 224.6528   20.99029 ?          ?        148.8657 7.050073 ?        ?        ?         ?        
1 1 1 13 3  0  o 445.3672 11.92889 1992.375   106.0860 1992.375   106.0860 1992.375   106.0860 445.3672 11.92889 445.3672 11.92889 -0.000000 0.000000 
1 1 1 13 3  1  o 399.3345 7.387255 1597.531   58.99971 1597.531   58.99971 ?          ?        399.3345 7.387255 ?        ?        ?         ?        
1 1 1 13 3  2  o 216.1198 4.987417 467.4593   21.55759 467.4593   21.55759 ?          ?        216.1198 4.987417 ?        ?        ?         ?        
1 1 1 13 3  3  o 470.7485 7.230676 2219.864   68.07660 2219.864   68.07660 ?          ?        470.7485 7.230676 ?        ?        ?         ?        
1 1 1 13 3  4  o 132.3385 5.358466 175.2972   14.18262 175.2972   14.18262 ?          ?        132.3385 5.358466 ?        ?        ?         ?        
1 1 1 13 3  5  f 406.1294 8.171618 1653.694   66.37468 1653.694   66.37468 ?          ?        406.1294 8.171618 ?        ?        ?         ?        
1 1 1 13 3  6  o 390.9430 7.037929 1530.589   55.02858 1530.589   55.02858 ?          ?        390.9430 7.037929 ?        ?        ?         ?        
1 1 1 13 3  7  o 244.0059 7.904878 596.2375   38.57674 596.2375   38.57674 ?          ?        244.0059 7.904878 ?        ?        ?         ?        
1 1 1 13 3  8  o 199.7937 5.536935 399.3827   22.12490 399.3827   22.12490 ?          ?        199.7937 5.536935 ?        ?        ?         ?        
1 1 1 13 3  9  o 537.6581 11.60655 2898.928   124.8071 2898.928   124.8071 ?          ?        537.6581 11.60655 ?        ?        ?         ?        
1 1 1 13 3  10 o 121.1637 5.852669 146.9320   14.18262 146.9320   14.18262 ?          ?        121.1637 5.852669 ?        ?        ?         ?        
1 1 1 13 3  11 o 160.7527 5.999393 258.6910   19.28837 258.6910   19.28837 ?          ?        160.7527 5.999393 ?        ?        ?         ?        
1 1 1 13 3  12 o 278.6063 7.330407 777.7751   40.84595 777.7751   40.84595 ?          ?        278.6063 7.330407 ?        ?        ?         ?        
1 1 1 13 3  13 o 105.5775 7.522690 111.7591   15.88454 111.7591   15.88454 ?          ?        105.5775 7.522690 ?        ?        ?         ?        
1 1 1 13 3  14 o 164.6137 6.375618 271.7391   20.99029 271.7391   20.99029 ?          ?        164.6137 6.375618 ?        ?        ?         ?        
1 1 1 13 3  15 o 157.4763 6.664585 249.0469   20.99029 249.0469   20.99029 ?          ?        157.4763 6.664585 ?        ?        ?         ?        
1 1 1 13 3  16 o 257.5873 7.377972 668.8526   38.00943 668.8526   38.00943 ?          ?        257.5873 7.377972 ?        ?        ?         ?        
1 1 1 13 3  17 o 59.33410 13.65961 38.00943   15.88454 38.00943   15.88454 ?          ?        59.33410 13.65961 ?        ?        ?         ?        
1 1 1 13 3  18 o 164.5080 6.724564 274.0083   22.12490 274.0083   22.12490 ?          ?        164.5080 6.724564 ?        ?        ?         ?        
1 1 1 13 4  0  o 88.04086 7.850581 79.42269   13.61532 79.42269   13.61532 79.42269   13.61532 88.04086 7.850581 88.04086 7.850581 -0.000000 0.000000 
1 1 1 13 4  1  o 248.3332 5.140015 617.2278   25.52872 617.2278   25.52872 ?          ?        248.3332 5.140015 ?        ?        ?         ?        
1 1 1 13 4  2  o 359.0220 6.241553 1290.619   44.81709 1290.619   44.81709 ?          ?        359.0220 6.241553 ?        ?        ?         ?        
1 1 1 13 4  3  o 78.92875 7.187558 62.40355   11.34610 62.40355   11.34610 ?          ?        78.92875 7.187558 ?        ?        ?         ?        
1 1 1 13 4  4  o 123.0267 4.841798 151.4704   11.91340 151.4704   11.91340 ?          ?        123.0267 4.841798 ?        ?        ?         ?        
1 1 1 13 4  5  o 155.0282 4.574207 240.5373   14.18262 240.5373   14.18262 ?          ?        155.0282 4.574207 ?        ?        ?         ?        
1 1 1 13 4  6  o 517.6523 8.383780 2685.054   86.79766 2685.054   86.79766 ?          ?        517.6523 8.383780 ?        ?        ?         ?        
1 1 1 13 4  7  o 144.6131 6.668957 209.3355   19.28837 209.3355   19.28837 ?          ?        144.6131 6.668957 ?        ?        ?         ?        
1 1 1 13 4  8  o 282.5189 6.626483 798.7654   37.44213 798.7654   37.44213 ?          ?        282.5189 6.626483 ?        ?        ?         ?        
1 1 1 13 4  9  o 447.7415 12.92377 2011.663   115.7302 2011.663   115.7302 ?          ?        447.7415 12.92377 ?        ?        ?         ?        
1 1 1 13 4  10 o 483.6697 11.37731 2346.941   110.0572 2346.941   110.0572 ?          ?        483.6697 11.37731 ?        ?        ?         ?        
1 1 1 13 4  11 o 136.5386 6.232357 186.6433   17.01915 186.6433   17.01915 ?          ?        136.5386 6.232357 ?        ?        ?         ?        
1 1 1 13 4  12 o 97.80399 7.830577 95.87454   15.31723 95.87454   15.31723 ?          ?        97.80399 7.830577 ?        ?        ?         ?        
1 1 1 13 4  13 o 63.99492 11.96791 42.54787   14.74993 42.54787   14.74993 ?          ?        63.99492 11.96791 ?        ?        ?         ?        
1 1 1 13 4  14 o 128.6898 7.273717 166.2204   18.72106 166.2204   18.72106 ?          ?        128.6898 7.273717 ?        ?        ?         ?        
1 1 1 13 4  15 o 178.2187 6.207232 318.8254   22.12490 318.8254   22.12490 ?          ?        178.2187 6.207232 ?        ?        ?         ?        
1 1 1 13 4  16 o 110.1774 7.980973 122.5379   17.58645 122.5379   17.58645 ?          ?        110.1774 7.980973 ?        ?        ?         ?        
1 1 1 13 4  17 o 138.1350 6.981709 192.8837   19.28837 192.8837   19.28837 ?          ?        138.1350 6.981709 ?        ?        ?         ?        
1 1 1 13 4  18 o 117.6500 7.715152 140.6916   18.15376 140.6916   18.15376 ?          ?        117.6500 7.715152 ?        ?        ?         ?        
1 1 1 13 5  0  o 37.74554 17.63475 20.99029   14.74993 20.99029   14.74993 20.99029   14.74993 37.74554 17.63475 37.74554 17.63475 -0.000000 0.000000 
1 1 1 13 5  1  o 210.8309 4.305288 444.7671   18.15376 444.7671   18.15376 ?          ?        210.8309 4.305288 ?        ?        ?         ?        
1 1 1 13 5  2  o 166.8393 4.590415 278.5467   15.31723 278.5467   15.31723 ?          ?        166.8393 4.590415 ?        ?        ?         ?        
1 1 1 13 5  3  o 325.2646 5.842848 1059.158   38.00943 1059.158   38.00943 ?          ?        325.2646 5.842848 ?        ?        ?         ?        
1 1 1 13 5  4  o 253.9856 4.913944 645.5931   24.96142 645.5931   24.96142 ?          ?        253.9856 4.913944 ?        ?        ?         ?        
1 1 1 13 5  5  o 160.0728 4.252853 256.4218   13.61532 256.4218   13.61532 ?          ?        160.0728 4.252853 ?        ?        ?         ?        
1 1 1 13 5  6  o 416.3407 9.333796 1737.655   77.72078 1737.655   77.72078 ?          ?        416.3407 9.333796 ?        ?        ?         ?        
1 1 1 13 5  7  o 565.2216 18.56819 3218.321   209.9028 3218.321   209.9028 ?          ?        565.2216 18.56819 ?        ?        ?         ?        
1 1 1 13 5  8  o 340.5801 8.161941 1161.273   55.59589 1161.273   55.59589 ?          ?        340.5801 8.161941 ?        ?        ?         ?        
1 1 1 13 5  9  o 724.0867 29.30202 5334.936   424.3441 5334.936   424.3441 ?          ?        724.0867 29.30202 ?        ?        ?         ?        
1 1 1 13 5  10 o 143.4356 6.130436 205.9317   17.58645 205.9317   17.58645 ?          ?        143.4356 6.130436 ?        ?        ?         ?        
1 1 1 13 5  11 o 164.5890 5.859557 271.1718   19.28837 271.1718   19.28837 ?          ?        164.5890 5.859557 ?        ?        ?         ?        
1 1 1 13 5  12 o 110.3347 7.198345 121.9706   15.88454 121.9706   15.88454 ?          ?        110.3347 7.198345 ?        ?        ?         ?        
1 1 1 13 5  13 o 88.62703 9.281506 78.85539   16.45185 78.85539   16.45185 ?          ?        88.62703 9.281506 ?        ?        ?         ?        
1 1 1 13 5  14 o 496.1607 12.92030 2490.469   128.2109 2490.469   128.2109 ?          ?        496.1607 12.92030 ?        ?        ?         ?        
1 1 1 13 5  15 o 207.7330 6.554240 433.4210   27.23064 433.4210   27.23064 ?          ?        207.7330 6.554240 ?        ?        ?         ?        
1 1 1 13 5  16 o 164.6903 6.372655 272.8737   20.99029 272.8737   20.99029 ?          ?        164.6903 6.372655 ?        ?        ?         ?        
1 1 1 13 5  17 o 35.72620 14.41034 6.807660   15.88454 6.807660   15.88454 ?          ?        35.72620 14.41034 ?        ?        ?         ?        
1 1 1 13 5  18 o 85.11298 9.664710 74.31695   16.45185 74.31695   16.45185 ?          ?        85.11298 9.664710 ?        ?        ?         ?        
1 1 1 13 6  0  f 396.7715 9.018115 1578.810   71.48043 1578.810   71.48043 1578.810   71.48043 396.7715 9.018115 396.7715 9.018115 -0.000000 0.000000 
1 1 1 13 6  1  o 285.9955 5.058218 818.6210   28.93255 818.6210   28.93255 ?          ?        285.9955 5.058218 ?        ?        ?         ?        
1 1 1 13 6  2  o 261.5722 4.879862 684.7371   25.52872 684.7371   25.52872 ?          ?        261.5722 4.879862 ?        ?        ?         ?        
1 1 1 13 6  3  o 244.6603 4.985303 599.0740   24.39412 599.0740   24.39412 ?          ?        244.6603 4.985303 ?        ?        ?         ?        
1 1 1 13 6  4  o 92.80354 6.112967 86.23035   11.34610 86.23035   11.34610 ?          ?        92.80354 6.112967 ?        ?        ?         ?        
1 1 1 13 6  5  o 352.9102 6.269271 1247.504   44.24979 1247.504   44.24979 ?          ?        352.9102 6.269271 ?        ?        ?         ?        
1 1 1 13 6  6  o 328.0969 5.273686 1077.312   34.60560 1077.312   34.60560 ?          ?        328.0969 5.273686 ?        ?        ?         ?        
1 1 1 13 6  7  o 229.1162 5.942540 525.3243   27.23064 525.3243   27.23064 ?          ?        229.1162 5.942540 ?        ?        ?         ?        
1 1 1 13 6  8  o 268.6204 6.969338 722.1793   37.44213 722.1793   37.44213 ?          ?        268.6204 6.969338 ?        ?        ?         ?        
1 1 1 13 6  9  o 462.3780 13.31218 2145.547   123.1052 2145.547   123.1052 ?          ?        462.3780 13.31218 ?        ?        ?         ?        
1 1 1 13 6  10 o 176.5574 6.104980 312.0177   21.55759 312.0177   21.55759 ?          ?        176.5574 6.104980 ?        ?        ?         ?        
1 1 1 13 6  11 o 343.4037 9.251233 1182.263   63.53815 1182.263   63.53815 ?          ?        343.4037 9.251233 ?        ?        ?         ?        
1 1 1 13 6  12 o 326.6049 8.250639 1069.370   53.89397 1069.370   53.89397 ?          ?        326.6049 8.250639 ?        ?        ?         ?        
1 1 1 13 6  13 o 216.9660 7.713419 471.9977   33.47099 471.9977   33.47099 ?          ?        216.9660 7.713419 ?        ?        ?         ?        
1 1 1 13 6  14 o 346.5403 8.676383 1207.225   60.13433 1207.225   60.13433 ?          ?        346.5403 8.676383 ?        ?        ?         ?        
1 1 1 13 6  15 o 93.43845 8.196430 87.93227   15.31723 87.93227   15.31723 ?          ?        93.43845 8.196430 ?        ?        ?         ?        
1 1 1 13 6  16 o 67.17986 10.97794 45.95170   14.74993 45.95170   14.74993 ?          ?        67.17986 10.97794 ?        ?        ?         ?        
1 1 1 13 6  17 o 239.9080 7.921667 583.7568   38.00943 583.7568   38.00943 ?          ?        239.9080 7.921667 ?        ?        ?         ?        
1 1 1 13 6  18 o 78.31626 9.779090 62.97085   15.31723 62.97085   15.31723 ?          ?        78.31626 9.779090 ?        ?        ?         ?        
1 1 1 13 7  0  o 250.2761 6.355893 628.0066   31.76908 628.0066   31.76908 628.0066   31.76908 250.2761 6.355893 250.2761 6.355893 -0.000000 0.000000 
1 1 1 13 7  1  o 223.2347 4.447265 498.6611   19.85567 498.6611   19.85567 ?          ?        223.2347 4.447265 ?        ?        ?         ?        
1 1 1 13 7  2  o 376.1464 6.032811 1416.561   45.38440 1416.561   45.38440 ?          ?        376.1464 6.032811 ?        ?        ?         ?        
1 1 1 13 7  3  o 58.26113 9.250417 34.03830   10.77879 34.03830   10.77879 ?          ?        58.26113 9.250417 ?        ?        ?         ?        
1 1 1 13 7  4  o 291.5578 5.642739 850.9575   32.90369 850.9575   32.90369 ?          ?        291.5578 5.642739 ?        ?        ?         ?        
1 1 1 13 7  5  o 525.6436 10.19899 2775.256   107.2206 2775.256   107.2206 ?          ?        525.6436 10.19899 ?        ?        ?         ?        
1 1 1 13 7  6  o 303.9135 6.439998 924.7071   39.14404 924.7071   39.14404 ?          ?        303.9135 6.439998 ?        ?        ?         ?        
1 1 1 13 7  7  o 334.5921 8.138458 1120.995   54.46128 1120.995   54.46128 ?          ?        334.5921 8.138458 ?        ?        ?         ?        
1 1 1 13 7  8  f 439.6404 9.032689 1935.645   79.42269 1935.645   79.42269 ?          ?        439.6404 9.032689 ?        ?        ?         ?        
1 1 1 13 7  9  o 244.1823 6.853691 596.8048   33.47099 596.8048   33.47099 ?          ?        244.1823 6.853691 ?        ?        ?         ?        
1 1 1 13 7  10 o 71.36535 9.936632 51.05745   14.18262 51.05745   14.18262 ?          ?        71.36535 9.936632 ?        ?        ?         ?        
1 1 1 13 7  11 o 814.6435 20.57816 6720.294   335.2772 6720.294   335.2772 ?          ?        814.6435 20.57816 ?        ?        ?         ?        
1 1 1 13 7  12 o 223.3410 7.366245 499.7957   32.90369 499.7957   32.90369 ?          ?        223.3410 7.366245 ?        ?        ?         ?        
1 1 1 13 7  13 o 421.2626 11.04276 1784.174   93.03801 1784.174   93.03801 ?          ?        421.2626 11.04276 ?        ?        ?         ?        
1 1 1 13 7  14 o 200.2179 6.941922 402.2192   27.79794 402.2192   27.79794 ?          ?        200.2179 6.941922 ?        ?        ?         ?        
1 1 1 13 7  15 o 233.8662 7.398592 550.2858   34.60560 550.2858   34.60560 ?          ?        233.8662 7.398592 ?        ?        ?         ?        
1 1 1 13 7  16 o 102.4943 8.025735 106.0860   16.45185 106.0860   16.45185 ?          ?        102.4943 8.025735 ?        ?        ?         ?        
1 1 1 13 7  17 o 111.5320 8.647016 126.5090   19.28837 126.5090   19.28837 ?          ?        111.5320 8.647016 ?        ?        ?         ?        
1 1 1 13 7  18 o 82.88314 11.97811 71.48043   19.85567 71.48043   19.85567 ?          ?        82.88314 11.97811 ?        ?        ?         ?        
1 1 1 13 8  0  o 26.79438 15.80176 8.509575   14.18262 8.509575   14.18262 8.509575   14.18262 26.79438 15.80176 26.79438 15.80176 -0.000000 0.000000 
1 1 1 13 8  1  o 52.90601 9.455549 28.93255   9.644185 28.93255   9.644185 ?          ?        52.90601 9.455549 ?        ?        ?         ?        
1 1 1 13 8  2  o 203.8616 4.174192 415.8346   17.01915 415.8346   17.01915 ?          ?        203.8616 4.174192 ?        ?        ?         ?        
1 1 1 13 8  3  o 247.4326 4.814807 612.6893   23.82681 612.6893   23.82681 ?          ?        247.4326 4.814807 ?        ?        ?         ?        
1 1 1 13 8  4  o 203.8518 4.452686 415.8346   18.15376 415.8346   18.15376 ?          ?        203.8518 4.452686 ?        ?        ?         ?        
1 1 1 13 8  5  o 244.8627 4.981183 600.2086   24.39412 600.2086   24.39412 ?          ?        244.8627 4.981183 ?        ?        ?         ?        
1 1 1 13 8  6  o 353.8882 9.297763 1255.446   65.80738 1255.446   65.80738 ?          ?        353.8882 9.297763 ?        ?        ?         ?        
1 1 1 13 8  7  o 151.9145 5.041400 230.8931   15.31723 230.8931   15.31723 ?          ?        151.9145 5.041400 ?        ?        ?         ?        
1 1 1 13 8  8  o 175.6337 5.006573 308.6139   17.58645 308.6139   17.58645 ?          ?        175.6337 5.006573 ?        ?        ?         ?        
1 1 1 13 8  9  o 279.1892 8.635885 780.6117   48.22092 780.6117   48.22092 ?          ?        279.1892 8.635885 ?        ?        ?         ?        
1 1 1 13 8  10 o 440.5559 10.55916 1946.423   93.03801 1946.423   93.03801 ?          ?        440.5559 10.55916 ?        ?        ?         ?        
1 1 1 13 8  11 f 264.6636 7.823755 701.7562   41.41326 701.7562   41.41326 ?          ?        264.6636 7.823755 ?        ?        ?         ?        
1 1 1 13 8  12 o 85.09030 9.000576 72.61504   15.31723 72.61504   15.31723 ?          ?        85.09030 9.000576 ?        ?        ?         ?        
1 1 1 13 8  13 o 382.0709 10.24523 1466.483   78.28809 1466.483   78.28809 ?          ?        382.0709 10.24523 ?        ?        ?         ?        
1 1 1 13 8  14 o 176.1452 7.407535 311.4504   26.09603 311.4504   26.09603 ?          ?        176.1452 7.407535 ?        ?        ?         ?        
1 1 1 13 8  15 o 72.58615 10.16029 53.32666   14.74993 53.32666   14.74993 ?          ?        72.58615 10.16029 ?        ?        ?         ?        
1 1 1 13 8  16 o 38.82530 14.76932 11.34610   15.88454 11.34610   15.88454 ?          ?        38.82530 14.76932 ?        ?        ?         ?        
1 1 1 13 8  17 o 153.0888 7.226161 237.1335   22.12490 237.1335   22.12490 ?          ?        153.0888 7.226161 ?        ?        ?         ?        
1 1 1 13 8  18 o 158.7896 7.681272 256.4218   24.39412 256.4218   24.39412 ?          ?        158.7896 7.681272 ?        ?        ?         ?        
1 1 1 13 9  0  o 289.1868 7.071592 838.4767   40.84595 838.4767   40.84595 838.4767   40.84595 289.1868 7.071592 289.1868 7.071592 -0.000000 0.000000 
1 1 1 13 9  1  o 113.4383 4.750952 128.7782   10.77879 128.7782   10.77879 ?          ?        113.4383 4.750952 ?        ?        ?         ?        
1 1 1 13 9  2  o 236.1832 4.683842 558.2281   22.12490 558.2281   22.12490 ?          ?        236.1832 4.683842 ?        ?        ?         ?        
1 1 1 13 9  3  o 256.3251 4.758432 657.5065   24.39412 657.5065   24.39412 ?          ?        256.3251 4.758432 ?        ?        ?         ?        
1 1 1 13 9  4  o 205.6590 4.137710 423.2095   17.01915 423.2095   17.01915 ?          ?        205.6590 4.137710 ?        ?        ?         ?        
1 1 1 13 9  5  o 503.8866 8.275061 2546.065   83.39383 2546.065   83.39383 ?          ?        503.8866 8.275061 ?        ?        ?         ?        
1 1 1 13 9  6  o 156.8349 5.787538 246.2104   18.15376 246.2104   18.15376 ?          ?        156.8349 5.787538 ?        ?        ?         ?        
1 1 1 13 9  7  o 103.5089 6.302848 107.2206   13.04801 107.2206   13.04801 ?          ?        103.5089 6.302848 ?        ?        ?         ?        
1 1 1 13 9  8  o 299.1905 8.342987 896.3418   49.92284 896.3418   49.92284 ?          ?        299.1905 8.342987 ?        ?        ?         ?        
1 1 1 13 9  9  o 322.5982 11.16679 1043.274   72.04772 1043.274   72.04772 ?          ?        322.5982 11.16679 ?        ?        ?         ?        
1 1 1 13 9  10 o 136.3538 5.616723 186.0760   15.31723 186.0760   15.31723 ?          ?        136.3538 5.616723 ?        ?        ?         ?        
1 1 1 13 9  11 o 439.1468 10.59304 1935.077   93.03801 1935.077   93.03801 ?          ?        439.1468 10.59304 ?        ?        ?         ?        
1 1 1 13 9  12 o 319.4719 9.589097 1023.985   61.26894 1023.985   61.26894 ?          ?        319.4719 9.589097 ?        ?        ?         ?        
1 1 1 13 9  13 o 114.3366 7.442567 131.0475   17.01915 131.0475   17.01915 ?          ?        114.3366 7.442567 ?        ?        ?         ?        
1 1 1 13 9  14 o 197.3554 7.186338 390.8731   28.36525 390.8731   28.36525 ?          ?        197.3554 7.186338 ?        ?        ?         ?        
1 1 1 13 9  15 o 179.9018 7.095184 325.6331   25.52872 325.6331   25.52872 ?          ?        179.9018 7.095184 ?        ?        ?         ?        
1 1 1 13 9  16 o 89.46999 9.194057 81.12460   16.45185 81.12460   16.45185 ?          ?        89.46999 9.194057 ?        ?        ?         ?        
1 1 1 13 9  17 o 165.5959 7.194261 277.4121   23.82681 277.4121   23.82681 ?          ?        165.5959 7.194261 ?        ?        ?         ?        
1 1 1 13 9  18 o 89.57948 10.44942 82.82652   18.72106 82.82652   18.72106 ?          ?        89.57948 10.44942 ?        ?        ?         ?        
1 1 1 13 10 0  o 339.1607 7.870982 1153.331   53.32666 1153.331   53.32666 1153.331   53.32666 339.1607 7.870982 339.1607 7.870982 -0.000000 0.000000 
1 1 1 13 10 1  o 157.7677 4.135199 249.0469   13.04801 249.0469   13.04801 ?          ?        157.7677 4.135199 ?        ?        ?         ?        
1 1 1 13 10 2  o 223.4930 4.315207 499.7957   19.28837 499.7957   19.28837 ?          ?        223.4930 4.315207 ?        ?        ?         ?        
1 1 1 13 10 3  o 315.4659 5.574756 996.1876   35.17290 996.1876   35.17290 ?          ?        315.4659 5.574756 ?        ?        ?         ?        
1 1 1 13 10 4  o 142.4615 4.380381 203.0952   12.48071 203.0952   12.48071 ?          ?        142.4615 4.380381 ?        ?        ?         ?        
1 1 1 13 10 5  o 183.1556 5.575307 335.8446   20.42298 335.8446   20.42298 ?          ?        183.1556 5.575307 ?        ?        ?         ?        
1 1 1 13 10 6  o 545.8667 13.92627 2996.505   152.0377 2996.505   152.0377 ?          ?        545.8667 13.92627 ?        ?        ?         ?        
1 1 1 13 10 7  o 354.4390 9.363343 1258.282   66.37468 1258.282   66.37468 ?          ?        354.4390 9.363343 ?        ?        ?         ?        
1 1 1 13 10 8  o 442.3611 9.041257 1960.039   79.99000 1960.039   79.99000 ?          ?        442.3611 9.041257 ?        ?        ?         ?        
1 1 1 13 10 9  o 345.4880 11.82268 1197.013   81.69191 1197.013   81.69191 ?          ?        345.4880 11.82268 ?        ?        ?         ?        
1 1 1 13 10 10 o 382.5150 9.195171 1466.483   70.34581 1466.483   70.34581 ?          ?        382.5150 9.195171 ?        ?        ?         ?        
1 1 1 13 10 11 o 338.6133 7.874272 1148.792   53.32666 1148.792   53.32666 ?          ?        338.6133 7.874272 ?        ?        ?         ?        
1 1 1 13 10 12 o 454.4646 12.79500 2077.471   116.2975 2077.471   116.2975 ?          ?        454.4646 12.79500 ?        ?        ?         ?        
1 1 1 13 10 13 o 78.09109 10.17052 61.26894   15.88454 61.26894   15.88454 ?          ?        78.09109 10.17052 ?        ?        ?         ?        
1 1 1 13 10 14 o 374.2248 9.247276 1408.618   69.21120 1408.618   69.21120 ?          ?        374.2248 9.247276 ?        ?        ?         ?        
1 1 1 13 10 15 o 275.7580 8.331888 766.9963   45.95170 766.9963   45.95170 ?          ?        275.7580 8.331888 ?        ?        ?         ?        
1 1 1 13 10 16 o 64.65041 10.52996 42.54787   13.61532 42.54787   13.61532 ?          ?        64.65041 10.52996 ?        ?        ?         ?        
1 1 1 13 10 17 o 213.6557 7.567404 462.3535   32.33638 462.3535   32.33638 ?          ?        213.6557 7.567404 ?        ?        ?         ?        
1 1 1 13 10 18 o 54.17127 14.77867 32.33638   16.45185 32.33638   16.45185 ?          ?        54.17127 14.77867 ?        ?        ?         ?        
1 1 1 13 11 0  o 44.14730 17.84098 27.23064   15.31723 27.23064   15.31723 27.23064   15.31723 44.14730 17.84098 44.14730 17.84098 -0.000000 0.000000 
1 1 1 13 11 1  o 220.1680 4.380375 485.0457   19.28837 485.0457   19.28837 ?          ?        220.1680 4.380375 ?        ?        ?         ?        
1 1 1 13 11 2  o 195.9198 4.198617 384.0654   16.45185 384.0654   16.45185 ?          ?        195.9198 4.198617 ?        ?        ?         ?        
1 1 1 13 11 3  f 354.4558 5.681760 1257.715   40.27865 1257.715   40.27865 ?          ?        354.4558 5.681760 ?        ?        ?         ?        
1 1 1 13 11 4  o 165.4728 4.285485 274.0083   14.18262 274.0083   14.18262 ?          ?        165.4728 4.285485 ?        ?        ?         ?        
1 1 1 13 11 5  o 276.8028 5.636101 766.9963   31.20177 766.9963   31.20177 ?          ?        276.8028 5.636101 ?        ?        ?         ?        
1 1 1 13 11 6  o 452.6693 11.78049 2057.048   106.6533 2057.048   106.6533 ?          ?        452.6693 11.78049 ?        ?        ?         ?        
1 1 1 13 11 7  o 194.6157 5.538502 378.9597   21.55759 378.9597   21.55759 ?          ?        194.6157 5.538502 ?        ?        ?         ?        
1 1 1 13 11 8  o 378.9799 8.981560 1438.685   68.07660 1438.685   68.07660 ?          ?        378.9799 8.981560 ?        ?        ?         ?        
1 1 1 13 11 9  o 428.9122 10.25061 1843.741   87.93227 1843.741   87.93227 ?          ?        428.9122 10.25061 ?        ?        ?         ?        
1 1 1 13 11 10 o 268.2356 6.979337 720.4773   37.44213 720.4773   37.44213 ?          ?        268.2356 6.979337 ?        ?        ?         ?        
1 1 1 13 11 11 o 485.6396 11.56479 2368.498   112.3264 2368.498   112.3264 ?          ?        485.6396 11.56479 ?        ?        ?         ?        
1 1 1 13 11 12 o 479.7770 12.41557 2314.604   119.1340 2314.604   119.1340 ?          ?        479.7770 12.41557 ?        ?        ?         ?        
1 1 1 13 11 13 o 371.2508 9.932592 1384.792   73.74965 1384.792   73.74965 ?          ?        371.2508 9.932592 ?        ?        ?         ?        
1 1 1 13 11 14 o 231.0435 6.875128 535.5359   31.76908 535.5359   31.76908 ?          ?        231.0435 6.875128 ?        ?        ?         ?        
1 1 1 13 11 15 o 68.67814 9.086377 47.65361   12.48071 47.65361   12.48071 ?          ?        68.67814 9.086377 ?        ?        ?         ?        
1 1 1 13 11 16 o 63.89881 9.322086 41.41326   11.91340 41.41326   11.91340 ?          ?        63.89881 9.322086 ?        ?        ?         ?        
1 1 1 13 11 17 o 150.1818 6.988293 228.0566   20.99029 228.0566   20.99029 ?          ?        150.1818 6.988293 ?        ?        ?         ?        
1 1 1 13 11 18 o 225.9420 10.04338 526.4590   45.38440 526.4590   45.38440 ?          ?        225.9420 10.04338 ?        ?        ?         ?        
1 1 1 13 12 0  o 208.5446 8.188334 437.3921   34.03830 437.3921   34.03830 437.3921   34.03830 208.5446 8.188334 208.5446 8.188334 -0.000000 0.000000 
1 1 1 13 12 1  o 249.1543 4.553845 621.1990   22.69220 621.1990   22.69220 ?          ?        249.1543 4.553845 ?        ?        ?         ?        
1 1 1 13 12 2  o 310.0492 5.214719 962.1492   32.33638 962.1492   32.33638 ?          ?        310.0492 5.214719 ?        ?        ?         ?        
1 1 1 13 12 3  o 170.5418 4.324432 291.0274   14.74993 291.0274   14.74993 ?          ?        170.5418 4.324432 ?        ?        ?         ?        
1 1 1 13 12 4  o 344.2756 5.602595 1186.802   38.57674 1186.802   38.57674 ?          ?        344.2756 5.602595 ?        ?        ?         ?        
1 1 1 13 12 5  o 181.0177 4.857662 327.9023   17.58645 327.9023   17.58645 ?          ?        181.0177 4.857662 ?        ?        ?         ?        
1 1 1 13 12 6  o 147.5486 4.998330 217.8451   14.74993 217.8451   14.74993 ?          ?        147.5486 4.998330 ?        ?        ?         ?        
1 1 1 13 12 7  o 253.3250 6.382390 642.1892   32.33638 642.1892   32.33638 ?          ?        253.3250 6.382390 ?        ?        ?         ?        
1 1 1 13 12 8  o 498.0115 12.64446 2488.767   125.9417 2488.767   125.9417 ?          ?        498.0115 12.64446 ?        ?        ?         ?        
1 1 1 13 12 9  o 524.5161 18.92761 2772.987   198.5567 2772.987   198.5567 ?          ?        524.5161 18.92761 ?        ?        ?         ?        
1 1 1 13 12 10 o 413.7683 10.76289 1717.799   89.06688 1717.799   89.06688 ?          ?        413.7683 10.76289 ?        ?        ?         ?        
1 1 1 13 12 11 o 322.0339 8.103503 1039.303   52.19205 1039.303   52.19205 ?          ?        322.0339 8.103503 ?        ?        ?         ?        
1 1 1 13 12 12 o 291.9892 7.577298 854.3613   44.24979 854.3613   44.24979 ?          ?        291.9892 7.577298 ?        ?        ?         ?        
1 1 1 13 12 13 f 191.2377 6.377957 366.4790   24.39412 366.4790   24.39412 ?          ?        191.2377 6.377957 ?        ?        ?         ?        
1 1 1 13 12 14 o 258.9046 7.340432 672.8237   38.00943 672.8237   38.00943 ?          ?        258.9046 7.340432 ?        ?        ?         ?        
1 1 1 13 12 15 o 83.55724 7.807830 70.34581   13.04801 70.34581   13.04801 ?          ?        83.55724 7.807830 ?        ?        ?         ?        
1 1 1 13 12 16 o 198.1213 7.301726 395.9789   28.93255 395.9789   28.93255 ?          ?        198.1213 7.301726 ?        ?        ?         ?        
1 1 1 13 12 17 o 177.0973 7.367710 317.6908   26.09603 317.6908   26.09603 ?          ?        177.0973 7.367710 ?        ?        ?         ?        
1 1 1 13 12 18 o 54.59795 18.18200 32.33638   23.25950 32.33638   23.25950 ?          ?        54.59795 18.18200 ?        ?        ?         ?        
1 1 1 13 13 0  o 34.67244 15.86741 17.58645   11.91340 17.58645   11.91340 17.58645   11.91340 34.67244 15.86741 34.67244 15.86741 -0.000000 0.000000 
1 1 1 13 13 1  o 563.9368 8.500469 3187.687   95.87454 3187.687   95.87454 ?          ?        563.9368 8.500469 ?        ?        ?         ?        
1 1 1 13 13 2  o 150.0233 4.537735 225.2201   13.61532 225.2201   13.61532 ?          ?        150.0233 4.537735 ?        ?        ?         ?        
1 1 1 13 13 3  o 187.7878 4.229385 352.8637   15.88454 352.8637   15.88454 ?          ?        187.7878 4.229385 ?        ?        ?         ?        
1 1 1 13 13 4  o 308.8860 5.509849 955.3415   34.03830 955.3415   34.03830 ?          ?        308.8860 5.509849 ?        ?        ?         ?        
1 1 1 13 13 5  o 388.2481 6.283124 1509.031   48.78823 1509.031   48.78823 ?          ?        388.2481 6.283124 ?        ?        ?         ?        
1 1 1 13 13 6  o 704.8536 15.05079 4993.985   212.1721 4993.985   212.1721 ?          ?        704.8536 15.05079 ?        ?        ?         ?        
1 1 1 13 13 7  o 326.2094 10.08668 1065.966   65.80738 1065.966   65.80738 ?          ?        326.2094 10.08668 ?        ?        ?         ?        
1 1 1 13 13 8  o 534.8334 15.22124 2875.102   162.8165 2875.102   162.8165 ?          ?        534.8334 15.22124 ?        ?        ?         ?        
1 1 1 13 13 9  o 746.6332 26.97352 5668.511   402.7865 5668.511   402.7865 ?          ?        746.6332 26.97352 ?        ?        ?         ?        
1 1 1 13 13 10 f 160.3768 6.720918 257.5565   21.55759 257.5565   21.55759 ?          ?        160.3768 6.720918 ?        ?        ?         ?        
1 1 1 13 13 11 o 425.1213 11.00925 1814.808   93.60532 1814.808   93.60532 ?          ?        425.1213 11.00925 ?        ?        ?         ?        
1 1 1 13 13 12 o 166.5965 6.469999 277.9794   21.55759 277.9794   21.55759 ?          ?        166.5965 6.469999 ?        ?        ?         ?        
1 1 1 13 13 13 o 320.1353 8.151562 1028.524   52.19205 1028.524   52.19205 ?          ?        320.1353 8.151562 ?        ?        ?         ?        
1 1 1 13 13 14 o 274.7393 7.536828 757.9195   41.41326 757.9195   41.41326 ?          ?        274.7393 7.536828 ?        ?        ?         ?        
1 1 1 13 13 15 o 36.11885 12.94890 11.34610   11.91340 11.34610   11.91340 ?          ?        36.11885 12.94890 ?        ?        ?         ?        
1 1 1 13 13 16 o 117.0568 6.058011 137.8551   14.18262 137.8551   14.18262 ?          ?        117.0568 6.058011 ?        ?        ?         ?        
1 1 1 13 13 17 o 176.7248 8.667278 318.2581   30.63447 318.2581   30.63447 ?          ?        176.7248 8.667278 ?        ?        ?         ?        
1 1 1 13 13 18 o 108.6324 10.96671 122.5379   23.82681 122.5379   23.82681 ?          ?        108.6324 10.96671 ?        ?        ?         ?        
1 1 1 13 14 0  o 239.4820 6.644178 575.2472   31.76908 575.2472   31.76908 575.2472   31.76908 239.4820 6.644178 239.4820 6.644178 -0.000000 0.000000 
1 1 1 13 14 1  o 685.6451 10.09432 4716.574   138.4224 4716.574   138.4224 ?          ?        685.6451 10.09432 ?        ?        ?         ?        
1 1 1 13 14 2  o 241.6398 4.695460 584.3241   22.69220 584.3241   22.69220 ?          ?        241.6398 4.695460 ?        ?        ?         ?        
1 1 1 13 14 3  o 110.6422 5.127383 122.5379   11.34610 122.5379   11.34610 ?          ?        110.6422 5.127383 ?        ?        ?         ?        
1 1 1 13 14 4  o 255.0222 5.895009 651.2661   30.06716 651.2661   30.06716 ?          ?        255.0222 5.895009 ?        ?        ?         ?        
1 1 1 13 14 5  o 726.9988 15.52873 5321.321   225.7874 5321.321   225.7874 ?          ?        726.9988 15.52873 ?        ?        ?         ?        
1 1 1 13 14 6  o 589.2448 13.67128 3485.522   161.1146 3485.522   161.1146 ?          ?        589.2448 13.67128 ?        ?        ?         ?        
1 1 1 13 14 7  o 374.3725 9.092093 1403.512   68.07660 1403.512   68.07660 ?          ?        374.3725 9.092093 ?        ?        ?         ?        
1 1 1 13 14 8  o 503.6945 16.61275 2552.305   167.3549 2552.305   167.3549 ?          ?        503.6945 16.61275 ?        ?        ?         ?        
1 1 1 13 14 9  o 333.3975 9.954286 1114.187   66.37468 1114.187   66.37468 ?          ?        333.3975 9.954286 ?        ?        ?         ?        
1 1 1 13 14 10 o 338.8440 9.124589 1151.062   61.83624 1151.062   61.83624 ?          ?        338.8440 9.124589 ?        ?        ?         ?        
1 1 1 13 14 11 o 423.4056 10.24994 1799.491   86.79766 1799.491   86.79766 ?          ?        423.4056 10.24994 ?        ?        ?         ?        
1 1 1 13 14 12 o 38.04601 14.07436 11.34610   14.18262 11.34610   14.18262 ?          ?        38.04601 14.07436 ?        ?        ?         ?        
1 1 1 13 14 13 o 70.42867 10.87429 49.92284   15.31723 49.92284   15.31723 ?          ?        70.42867 10.87429 ?        ?        ?         ?        
1 1 1 13 14 14 o 511.5258 13.30854 2652.718   136.1532 2652.718   136.1532 ?          ?        511.5258 13.30854 ?        ?        ?         ?        
1 1 1 13 14 15 o 167.5557 5.925096 281.9506   19.85567 281.9506   19.85567 ?          ?        167.5557 5.925096 ?        ?        ?         ?        
1 1 1 13 14 16 f 51.04820 12.79370 27.79794   13.04801 27.79794   13.04801 ?          ?        51.04820 12.79370 ?        ?        ?         ?        
1 1 1 13 14 17 o 105.9758 10.70631 115.7302   22.69220 115.7302   22.69220 ?          ?        105.9758 10.70631 ?        ?        ?         ?        
1 1 1 13 14 18 o 69.02722 16.94950 53.89397   23.25950 53.89397   23.25950 ?          ?        69.02722 16.94950 ?        ?        ?         ?        
1 1 1 13 15 0  o 444.2116 9.908531 1979.327   87.93227 1979.327   87.93227 1979.327   87.93227 444.2116 9.908531 444.2116 9.908531 -0.000000 0.000000 
1 1 1 13 15 1  o 582.2836 8.865913 3399.292   103.2495 3399.292   103.2495 ?          ?        582.2836 8.865913 ?        ?        ?         ?        
1 1 1 13 15 2  o 178.0183 4.461491 317.1235   15.88454 317.1235   15.88454 ?          ?        178.0183 4.461491 ?        ?        ?         ?        
1 1 1 13 15 3  o 95.50097 5.940306 91.33610   11.34610 91.33610   11.34610 ?          ?        95.50097 5.940306 ?        ?        ?         ?        
1 1 1 13 15 4  o 279.0776 4.878686 779.4771   27.23064 779.4771   27.23064 ?          ?        279.0776 4.878686 ?        ?        ?         ?        
1 1 1 13 15 5  o 322.7294 7.558691 1043.274   48.78823 1043.274   48.78823 ?          ?        322.7294 7.558691 ?        ?        ?         ?        
1 1 1 13 15 6  o 235.9461 6.010959 557.0934   28.36525 557.0934   28.36525 ?          ?        235.9461 6.010959 ?        ?        ?         ?        
1 1 1 13 15 7  o 297.8063 7.810279 887.8322   46.51900 887.8322   46.51900 ?          ?        297.8063 7.810279 ?        ?        ?         ?        
1 1 1 13 15 8  o 145.4038 6.437611 211.6048   18.72106 211.6048   18.72106 ?          ?        145.4038 6.437611 ?        ?        ?         ?        
1 1 1 13 15 9  o 42.92031 14.19776 17.58645   14.18262 17.58645   14.18262 ?          ?        42.92031 14.19776 ?        ?        ?         ?        
1 1 1 13 15 10 o 173.7769 6.529117 302.3735   22.69220 302.3735   22.69220 ?          ?        173.7769 6.529117 ?        ?        ?         ?        
1 1 1 13 15 11 o 264.5527 8.470351 701.7562   44.81709 701.7562   44.81709 ?          ?        264.5527 8.470351 ?        ?        ?         ?        
1 1 1 13 15 12 o 298.0354 10.56433 892.3707   62.97085 892.3707   62.97085 ?          ?        298.0354 10.56433 ?        ?        ?         ?        
1 1 1 13 15 13 o 110.5398 7.184988 122.5379   15.88454 122.5379   15.88454 ?          ?        110.5398 7.184988 ?        ?        ?         ?        
1 1 1 13 15 14 o 282.7515 8.025491 803.8712   45.38440 803.8712   45.38440 ?          ?        282.7515 8.025491 ?        ?        ?         ?        
1 1 1 13 15 15 o 215.2386 6.589256 465.7574   28.36525 465.7574   28.36525 ?          ?        215.2386 6.589256 ?        ?        ?         ?        
1 1 1 13 15 16 o 214.0197 8.879890 464.0555   38.00943 464.0555   38.00943 ?          ?        214.0197 8.879890 ?        ?        ?         ?        
1 1 1 13 15 17 o 129.8186 10.05096 173.0280   26.09603 173.0280   26.09603 ?          ?        129.8186 10.05096 ?        ?        ?         ?        
1 1 1 13 15 18 o 31.27891 14.70550 -22.12490  23.82681 -22.12490  23.82681 ?          ?        31.27891 14.70550 ?        ?        ?         ?        
1 1 1 13 16 0  o 327.3657 7.634160 1074.476   49.92284 1074.476   49.92284 1074.476   49.92284 327.3657 7.634160 327.3657 7.634160 -0.000000 0.000000 
1 1 1 13 16 1  o 585.4099 8.818566 3436.167   103.2495 3436.167   103.2495 ?          ?        585.4099 8.818566 ?        ?        ?         ?        
1 1 1 13 16 2  o 133.6247 4.670061 178.7011   12.48071 178.7011   12.48071 ?          ?        133.6247 4.670061 ?        ?        ?         ?        
1 1 1 13 16 3  o 271.9329 5.215487 740.3330   28.36525 740.3330   28.36525 ?          ?        271.9329 5.215487 ?        ?        ?         ?        
1 1 1 13 16 4  o 183.2134 4.180161 335.8446   15.31723 335.8446   15.31723 ?          ?        183.2134 4.180161 ?        ?        ?         ?        
1 1 1 13 16 5  o 130.1812 5.665153 169.6242   14.74993 169.6242   14.74993 ?          ?        130.1812 5.665153 ?        ?        ?         ?        
1 1 1 13 16 6  o 614.0298 15.66019 3787.328   192.3164 3787.328   192.3164 ?          ?        614.0298 15.66019 ?        ?        ?         ?        
1 1 1 13 16 7  o 335.3527 9.896250 1126.668   66.37468 1126.668   66.37468 ?          ?        335.3527 9.896250 ?        ?        ?         ?        
1 1 1 13 16 8  o 82.10794 8.291110 67.50929   13.61532 67.50929   13.61532 ?          ?        82.10794 8.291110 ?        ?        ?         ?        
1 1 1 13 16 9  o 372.2052 12.11717 1390.464   90.20149 1390.464   90.20149 ?          ?        372.2052 12.11717 ?        ?        ?         ?        
1 1 1 13 16 10 o 213.0641 8.653457 454.9786   36.87482 454.9786   36.87482 ?          ?        213.0641 8.653457 ?        ?        ?         ?        
1 1 1 13 16 11 o 548.8619 15.40067 3039.620   169.0569 3039.620   169.0569 ?          ?        548.8619 15.40067 ?        ?        ?         ?        
1 1 1 13 16 12 o 353.8586 8.897741 1256.580   62.97085 1256.580   62.97085 ?          ?        353.8586 8.897741 ?        ?        ?         ?        
1 1 1 13 16 13 o 413.6133 10.90409 1722.338   90.20149 1722.338   90.20149 ?          ?        413.6133 10.90409 ?        ?        ?         ?        
1 1 1 13 16 14 o 97.99192 6.947164 96.44185   13.61532 96.44185   13.61532 ?          ?        97.99192 6.947164 ?        ?        ?         ?        
1 1 1 13 16 15 o 226.7647 7.505203 517.9495   34.03830 517.9495   34.03830 ?          ?        226.7647 7.505203 ?        ?        ?         ?        
1 1 1 13 16 16 o 112.7678 11.31916 129.9128   25.52872 129.9128   25.52872 ?          ?        112.7678 11.31916 ?        ?        ?         ?        
1 1 1 13 16 17 o 184.3309 8.925168 346.6233   32.90369 346.6233   32.90369 ?          ?        184.3309 8.925168 ?        ?        ?         ?        
1 1 1 13 16 18 o 83.96163 16.11535 78.28809   26.09603 78.28809   26.09603 ?          ?        83.96163 16.11535 ?        ?        ?         ?        
1 1 1 13 17 0  o 338.8014 7.963398 1151.062   53.89397 1151.062   53.89397 1151.062   53.89397 338.8014 7.963398 338.8014 7.963398 -0.000000 0.000000 
1 1 1 13 17 1  o 168.0084 4.896138 282.5179   16.45185 282.5179   16.45185 ?          ?        168.0084 4.896138 ?        ?        ?         ?        
1 1 1 13 17 2  o 152.6392 4.274137 233.1623   13.04801 233.1623   13.04801 ?          ?        152.6392 4.274137 ?        ?        ?         ?        
1 1 1 13 17 3  o 172.3436 4.608392 297.2678   15.88454 297.2678   15.88454 ?          ?        172.3436 4.608392 ?        ?        ?         ?        
1 1 1 13 17 4  o 446.3155 6.927413 1994.644   61.83624 1994.644   61.83624 ?          ?        446.3155 6.927413 ?        ?        ?         ?        
1 1 1 13 17 5  o 252.3069 5.621180 637.0835   28.36525 637.0835   28.36525 ?          ?        252.3069 5.621180 ?        ?        ?         ?        
1 1 1 13 17 6  o 691.8747 19.55589 4819.256   270.6045 4819.256   270.6045 ?          ?        691.8747 19.55589 ?        ?        ?         ?        
1 1 1 13 17 7  o 671.1374 16.99031 4530.497   228.0566 4530.497   228.0566 ?          ?        671.1374 16.99031 ?        ?        ?         ?        
1 1 1 13 17 8  o 183.1725 6.968493 335.8446   25.52872 335.8446   25.52872 ?          ?        183.1725 6.968493 ?        ?        ?         ?        
1 1 1 13 17 9  o 241.1206 6.705438 582.0549   32.33638 582.0549   32.33638 ?          ?        241.1206 6.705438 ?        ?        ?         ?        
1 1 1 13 17 10 o 37.85879 14.67444 9.076880   15.88454 9.076880   15.88454 ?          ?        37.85879 14.67444 ?        ?        ?         ?        
1 1 1 13 17 11 o 357.7750 9.513884 1284.378   68.07660 1284.378   68.07660 ?          ?        357.7750 9.513884 ?        ?        ?         ?        
1 1 1 13 17 12 o 181.6879 6.400949 330.7388   23.25950 330.7388   23.25950 ?          ?        181.6879 6.400949 ?        ?        ?         ?        
1 1 1 13 17 13 o 450.5901 10.89058 2045.135   98.14376 2045.135   98.14376 ?          ?        450.5901 10.89058 ?        ?        ?         ?        
1 1 1 13 17 14 o 108.1588 6.556390 117.4321   14.18262 117.4321   14.18262 ?          ?        108.1588 6.556390 ?        ?        ?         ?        
1 1 1 13 17 15 f 240.1338 6.851118 580.3530   32.90369 580.3530   32.90369 ?          ?        240.1338 6.851118 ?        ?        ?         ?        
1 1 1 13 17 16 o 191.7994 8.725522 372.7193   33.47099 372.7193   33.47099 ?          ?        191.7994 8.725522 ?        ?        ?         ?        
1 1 1 13 17 17 o 61.59500 18.13610 41.98057   23.82681 41.98057   23.82681 ?          ?        61.59500 18.13610 ?        ?        ?         ?        
1 1 1 13 17 18 o 114.9836 12.58117 138.9897   28.93255 138.9897   28.93255 ?          ?        114.9836 12.58117 ?        ?        ?         ?        
1 1 1 13 18 0  o 403.6836 8.792539 1634.406   70.91312 1634.406   70.91312 1634.406   70.91312 403.6836 8.792539 403.6836 8.792539 -0.000000 0.000000 
1 1 1 13 18 1  o 233.1404 4.744971 544.0455   22.12490 544.0455   22.12490 ?          ?        233.1404 4.744971 ?        ?        ?         ?        
1 1 1 13 18 2  o 145.2091 4.492837 211.0374   13.04801 211.0374   13.04801 ?          ?        145.2091 4.492837 ?        ?        ?         ?        
1 1 1 13 18 3  o 370.0002 6.056361 1370.609   44.81709 1370.609   44.81709 ?          ?        370.0002 6.056361 ?        ?        ?         ?        
1 1 1 13 18 4  o 93.11549 6.092488 86.79766   11.34610 86.79766   11.34610 ?          ?        93.11549 6.092488 ?        ?        ?         ?        
1 1 1 13 18 5  o 226.3461 6.892491 512.8437   31.20177 512.8437   31.20177 ?          ?        226.3461 6.892491 ?        ?        ?         ?        
1 1 1 13 18 6  o 670.3899 21.91739 4531.065   293.8640 4531.065   293.8640 ?          ?        670.3899 21.91739 ?        ?        ?         ?        
1 1 1 13 18 7  o 364.0854 8.180366 1327.494   59.56702 1327.494   59.56702 ?          ?        364.0854 8.180366 ?        ?        ?         ?        
1 1 1 13 18 8  o 62.50615 9.529785 39.14404   11.91340 39.14404   11.91340 ?          ?        62.50615 9.529785 ?        ?        ?         ?        
1 1 1 13 18 9  o 355.2924 8.143309 1264.523   57.86510 1264.523   57.86510 ?          ?        355.2924 8.143309 ?        ?        ?         ?        
1 1 1 13 18 10 o 198.8342 7.275547 395.9789   28.93255 395.9789   28.93255 ?          ?        198.8342 7.275547 ?        ?        ?         ?        
1 1 1 13 18 11 o 240.6625 7.425381 580.3530   35.74022 580.3530   35.74022 ?          ?        240.6625 7.425381 ?        ?        ?         ?        
1 1 1 13 18 12 o 573.4684 16.17428 3328.378   185.5087 3328.378   185.5087 ?          ?        573.4684 16.17428 ?        ?        ?         ?        
1 1 1 13 18 13 o 127.8403 6.878291 163.9511   17.58645 163.9511   17.58645 ?          ?        127.8403 6.878291 ?        ?        ?         ?        
1 1 1 13 18 14 o 226.2557 6.769878 513.9783   30.63447 513.9783   30.63447 ?          ?        226.2557 6.769878 ?        ?        ?         ?        
1 1 1 13 18 15 o 123.9278 5.722133 154.3070   14.18262 154.3070   14.18262 ?          ?        123.9278 5.722133 ?        ?        ?         ?        
1 1 1 13 18 16 o 174.1793 8.631095 307.4793   30.06716 307.4793   30.06716 ?          ?        174.1793 8.631095 ?        ?        ?         ?        
1 1 1 13 18 17 o 55.23640 18.40239 32.33638   23.82681 32.33638   23.82681 ?          ?        55.23640 18.40239 ?        ?        ?         ?        
1 1 1 13 18 18 o 39.02087 17.19913 -2.269220  26.09603 -2.269220  26.09603 ?          ?        39.02087 17.19913 ?        ?        ?         ?        
1 1 1 13 19 0  o 441.2254 11.39572 1956.067   100.4130 1956.067   100.4130 1956.067   100.4130 441.2254 11.39572 441.2254 11.39572 -0.000000 0.000000 
1 1 1 13 19 1  o 330.6878 6.433239 1095.466   42.54787 1095.466   42.54787 ?          ?        330.6878 6.433239 ?        ?        ?         ?        
1 1 1 13 19 2  o 462.5256 11.71343 2150.086   108.3553 2150.086   108.3553 ?          ?        462.5256 11.71343 ?        ?        ?         ?        
1 1 1 13 19 3  o 188.8048 6.009434 356.8348   22.69220 356.8348   22.69220 ?          ?        188.8048 6.009434 ?        ?        ?         ?        
1 1 1 13 19 4  o 191.1380 7.420097 365.9117   28.36525 365.9117   28.36525 ?          ?        191.1380 7.420097 ?        ?        ?         ?        
1 1 1 13 19 5  o 409.2452 9.149070 1677.521   74.88425 1677.521   74.88425 ?          ?        409.2452 9.149070 ?        ?        ?         ?        
1 1 1 13 19 6  o 249.0534 5.808504 620.6317   28.93255 620.6317   28.93255 ?          ?        249.0534 5.808504 ?        ?        ?         ?        
1 1 1 13 19 7  o 375.5478 8.459396 1412.589   63.53815 1412.589   63.53815 ?          ?        375.5478 8.459396 ?        ?        ?         ?        
1 1 1 13 19 8  o 444.2100 10.60001 1978.192   94.17262 1978.192   94.17262 ?          ?        444.2100 10.60001 ?        ?        ?         ?        
1 1 1 13 19 9  o 184.7043 6.142846 341.5176   22.69220 341.5176   22.69220 ?          ?        184.7043 6.142846 ?        ?        ?         ?        
1 1 1 13 19 10 o 360.8263 10.61261 1306.503   76.58617 1306.503   76.58617 ?          ?        360.8263 10.61261 ?        ?        ?         ?        
1 1 1 13 19 11 o 412.1723 10.73575 1705.886   88.49958 1705.886   88.49958 ?          ?        412.1723 10.73575 ?        ?        ?         ?        
1 1 1 13 19 12 o 756.5359 23.95841 5868.203   362.5079 5868.203   362.5079 ?          ?        756.5359 23.95841 ?        ?        ?         ?        
1 1 1 13 19 13 o 64.77990 11.82338 43.68248   14.74993 43.68248   14.74993 ?          ?        64.77990 11.82338 ?        ?        ?         ?        
1 1 1 13 19 14 o 80.85326 8.419772 65.80738   13.61532 65.80738   13.61532 ?          ?        80.85326 8.419772 ?        ?        ?         ?        
1 1 1 13 19 15 o 303.7730 8.030375 931.5147   48.78823 931.5147   48.78823 ?          ?        303.7730 8.030375 ?        ?        ?         ?        
1 1 1 13 19 16 o 150.5919 11.48986 232.5950   34.60560 232.5950   34.60560 ?          ?        150.5919 11.48986 ?        ?        ?         ?        
1 1 1 13 19 17 o 80.95374 16.68820 72.61504   26.09603 72.61504   26.09603 ?          ?        80.95374 16.68820 ?        ?        ?         ?        
1 1 1 13 19 18 o 172.9661 10.33157 310.3158   35.74022 310.3158   35.74022 ?          ?        172.9661 10.33157 ?        ?        ?         ?        
1 1 1 13 20 0  o 78.65805 13.79912 66.94199   19.85567 66.94199   19.85567 66.94199   19.85567 78.65805 13.79912 78.65805 13.79912 -0.000000 0.000000 
1 1 1 13 20 1  o 226.9879 4.873585 515.6802   22.12490 515.6802   22.12490 ?          ?        226.9879 4.873585 ?        ?        ?         ?        
1 1 1 13 20 2  o 166.1590 4.779921 276.2775   15.88454 276.2775   15.88454 ?          ?        166.1590 4.779921 ?        ?        ?         ?        
1 1 1 13 20 3  o 132.7738 5.340899 176.4319   14.18262 176.4319   14.18262 ?          ?        132.7738 5.340899 ?        ?        ?         ?        
1 1 1 13 20 4  o 71.40425 7.547726 51.05745   10.77879 51.05745   10.77879 ?          ?        71.40425 7.547726 ?        ?        ?         ?        
1 1 1 13 20 5  o 297.1807 6.585900 883.8611   39.14404 883.8611   39.14404 ?          ?        297.1807 6.585900 ?        ?        ?         ?        
1 1 1 13 20 6  o 110.1280 7.469418 121.4033   16.45185 121.4033   16.45185 ?          ?        110.1280 7.469418 ?        ?        ?         ?        
1 1 1 13 20 7  o 175.7859 5.163599 309.1812   18.15376 309.1812   18.15376 ?          ?        175.7859 5.163599 ?        ?        ?         ?        
1 1 1 13 20 8  o 182.2575 5.758414 332.4407   20.99029 332.4407   20.99029 ?          ?        182.2575 5.758414 ?        ?        ?         ?        
1 1 1 13 20 9  o 500.6534 12.80436 2518.834   128.2109 2518.834   128.2109 ?          ?        500.6534 12.80436 ?        ?        ?         ?        
1 1 1 13 20 10 o 106.1610 7.214150 112.8937   15.31723 112.8937   15.31723 ?          ?        106.1610 7.214150 ?        ?        ?         ?        
1 1 1 13 20 11 o 202.8844 7.409926 412.4307   30.06716 412.4307   30.06716 ?          ?        202.8844 7.409926 ?        ?        ?         ?        
1 1 1 13 20 12 o 157.4501 7.206155 248.4796   22.69220 248.4796   22.69220 ?          ?        157.4501 7.206155 ?        ?        ?         ?        
1 1 1 13 20 13 o 518.8479 14.97949 2733.843   155.4416 2733.843   155.4416 ?          ?        518.8479 14.97949 ?        ?        ?         ?        
1 1 1 13 20 14 o 208.9298 6.516696 438.5268   27.23064 438.5268   27.23064 ?          ?        208.9298 6.516696 ?        ?        ?         ?        
1 1 1 13 20 15 o 364.0516 9.116110 1341.676   66.37468 1341.676   66.37468 ?          ?        364.0516 9.116110 ?        ?        ?         ?        
1 1 1 13 20 16 o 88.57983 16.30144 85.09574   27.79794 85.09574   27.79794 ?          ?        88.57983 16.30144 ?        ?        ?         ?        
1 1 1 13 20 17 o 85.03322 15.93348 79.42269   26.09603 79.42269   26.09603 ?          ?        85.03322 15.93348 ?        ?        ?         ?        
1 1 1 13 20 18 o 67.76582 18.66870 53.32666   26.09603 53.32666   26.09603 ?          ?        67.76582 18.66870 ?        ?        ?         ?        
1 1 1 13 21 0  o 743.7170 17.98722 5568.666   267.2006 5568.666   267.2006 5568.666   267.2006 743.7170 17.98722 743.7170 17.98722 -0.000000 0.000000 
1 1 1 13 21 1  o 302.6252 5.905028 916.7648   35.74022 916.7648   35.74022 ?          ?        302.6252 5.905028 ?        ?        ?         ?        
1 1 1 13 21 2  o 174.1528 5.049144 303.5081   17.58645 303.5081   17.58645 ?          ?        174.1528 5.049144 ?        ?        ?         ?        
1 1 1 13 21 3  o 167.6824 5.074815 281.3832   17.01915 281.3832   17.01915 ?          ?        167.6824 5.074815 ?        ?        ?         ?        
1 1 1 13 21 4  o 519.2722 11.41663 2703.775   118.5667 2703.775   118.5667 ?          ?        519.2722 11.41663 ?        ?        ?         ?        
1 1 1 13 21 5  o 543.6713 12.78252 2964.168   138.9897 2964.168   138.9897 ?          ?        543.6713 12.78252 ?        ?        ?         ?        
1 1 1 13 21 6  o 262.2153 6.490525 688.1410   34.03830 688.1410   34.03830 ?          ?        262.2153 6.490525 ?        ?        ?         ?        
1 1 1 13 21 7  o 54.72360 11.74207 31.20177   12.48071 31.20177   12.48071 ?          ?        54.72360 11.74207 ?        ?        ?         ?        
1 1 1 13 21 8  o 435.1699 10.36394 1898.770   90.20149 1898.770   90.20149 ?          ?        435.1699 10.36394 ?        ?        ?         ?        
1 1 1 13 21 9  o 131.8757 6.882905 174.1626   18.15376 174.1626   18.15376 ?          ?        131.8757 6.882905 ?        ?        ?         ?        
1 1 1 13 21 10 o 359.5489 8.835816 1296.292   63.53815 1296.292   63.53815 ?          ?        359.5489 8.835816 ?        ?        ?         ?        
1 1 1 13 21 11 o 222.1994 7.276433 494.6899   32.33638 494.6899   32.33638 ?          ?        222.1994 7.276433 ?        ?        ?         ?        
1 1 1 13 21 12 o 390.1158 10.39750 1530.022   81.12460 1530.022   81.12460 ?          ?        390.1158 10.39750 ?        ?        ?         ?        
1 1 1 13 21 13 o 207.4480 6.836713 431.7191   28.36525 431.7191   28.36525 ?          ?        207.4480 6.836713 ?        ?        ?         ?        
1 1 1 13 21 14 f 312.7981 9.068229 988.2452   56.73050 988.2452   56.73050 ?          ?        312.7981 9.068229 ?        ?        ?         ?        
1 1 1 13 21 15 o 223.0338 6.740495 500.9303   30.06716 500.9303   30.06716 ?          ?        223.0338 6.740495 ?        ?        ?         ?        
1 1 1 13 21 16 o 216.5044 9.171027 477.6707   39.71135 477.6707   39.71135 ?          ?        216.5044 9.171027 ?        ?        ?         ?        
1 1 1 13 21 17 f 160.8077 10.23075 266.0660   32.90369 266.0660   32.90369 ?          ?        160.8077 10.23075 ?        ?        ?         ?        
1 1 1 13 21 18 o 53.60016 19.54099 29.49986   27.23064 29.49986   27.23064 ?          ?        53.60016 19.54099 ?        ?        ?         ?        
1 1 1 13 22 0  o 303.0822 7.967279 921.3032   48.22092 921.3032   48.22092 921.3032   48.22092 303.0822 7.967279 303.0822 7.967279 -0.000000 0.000000 
1 1 1 13 22 1  o 271.0108 6.070550 735.2272   32.90369 735.2272   32.90369 ?          ?        271.0108 6.070550 ?        ?        ?         ?        
1 1 1 13 22 2  o 194.8779 5.385495 380.0943   20.99029 380.0943   20.99029 ?          ?        194.8779 5.385495 ?        ?        ?         ?        
1 1 1 13 22 3  o 346.5573 7.448229 1202.687   51.62476 1202.687   51.62476 ?          ?        346.5573 7.448229 ?        ?        ?         ?        
1 1 1 13 22 4  o 153.0229 5.560982 234.2970   17.01915 234.2970   17.01915 ?          ?        153.0229 5.560982 ?        ?        ?         ?        
1 1 1 13 22 5  o 109.8867 6.453294 120.8360   14.18262 120.8360   14.18262 ?          ?        109.8867 6.453294 ?        ?        ?         ?        
1 1 1 13 22 6  o 394.8579 8.907738 1561.791   70.34581 1561.791   70.34581 ?          ?        394.8579 8.907738 ?        ?        ?         ?        
1 1 1 13 22 7  o 288.1314 7.383415 831.1017   42.54787 831.1017   42.54787 ?          ?        288.1314 7.383415 ?        ?        ?         ?        
1 1 1 13 22 8  o 272.9790 6.650240 746.0060   36.30752 746.0060   36.30752 ?          ?        272.9790 6.650240 ?        ?        ?         ?        
1 1 1 13 22 9  o 450.0304 10.14777 2031.519   91.33610 2031.519   91.33610 ?          ?        450.0304 10.14777 ?        ?        ?         ?        
1 1 1 13 22 10 o 463.2947 10.46949 2155.192   97.00916 2155.192   97.00916 ?          ?        463.2947 10.46949 ?        ?        ?         ?        
1 1 1 13 22 11 o 137.0976 7.241436 188.3452   19.85567 188.3452   19.85567 ?          ?        137.0976 7.241436 ?        ?        ?         ?        
1 1 1 13 22 12 o 310.8060 8.213717 969.5242   51.05745 969.5242   51.05745 ?          ?        310.8060 8.213717 ?        ?        ?         ?        
1 1 1 13 22 13 o 133.1623 8.094480 178.1338   21.55759 178.1338   21.55759 ?          ?        133.1623 8.094480 ?        ?        ?         ?        
1 1 1 13 22 14 o 90.94749 8.109035 83.39383   14.74993 83.39383   14.74993 ?          ?        90.94749 8.109035 ?        ?        ?         ?        
1 1 1 13 22 15 o 193.7269 6.442425 377.8251   24.96142 377.8251   24.96142 ?          ?        193.7269 6.442425 ?        ?        ?         ?        
1 1 1 13 22 16 o 62.22382 18.87369 42.54787   25.52872 42.54787   25.52872 ?          ?        62.22382 18.87369 ?        ?        ?         ?        
1 1 1 13 22 17 o 28.52721 13.81124 -36.87482  24.39412 -36.87482  24.39412 ?          ?        28.52721 13.81124 ?        ?        ?         ?        
1 1 1 13 23 0  o 620.0712 25.34300 3899.655   313.1523 3899.655   313.1523 3899.655   313.1523 620.0712 25.34300 620.0712 25.34300 -0.000000 0.000000 
1 1 1 13 23 1  o 609.8825 12.41800 3736.270   151.4704 3736.270   151.4704 ?          ?        609.8825 12.41800 ?        ?        ?         ?        
1 1 1 13 23 2  o 597.2238 12.82370 3582.531   153.1723 3582.531   153.1723 ?          ?        597.2238 12.82370 ?        ?        ?         ?        
1 1 1 13 23 3  o 439.9128 9.736368 1939.048   85.66305 1939.048   85.66305 ?          ?        439.9128 9.736368 ?        ?        ?         ?        
1 1 1 13 23 4  o 492.9139 11.56676 2435.440   114.0283 2435.440   114.0283 ?          ?        492.9139 11.56676 ?        ?        ?         ?        
1 1 1 13 23 5  o 810.9128 18.95884 6617.613   307.4793 6617.613   307.4793 ?          ?        810.9128 18.95884 ?        ?        ?         ?        
1 1 1 13 23 6  o 556.0717 12.03837 3102.023   133.8840 3102.023   133.8840 ?          ?        556.0717 12.03837 ?        ?        ?         ?        
1 1 1 13 23 7  o 481.2484 11.43455 2322.547   110.0572 2322.547   110.0572 ?          ?        481.2484 11.43455 ?        ?        ?         ?        
1 1 1 13 23 8  o 97.26717 7.290550 94.73994   14.18262 94.73994   14.18262 ?          ?        97.26717 7.290550 ?        ?        ?         ?        
1 1 1 13 23 9  o 464.7708 13.06055 2171.076   121.4033 2171.076   121.4033 ?          ?        464.7708 13.06055 ?        ?        ?         ?        
1 1 1 13 23 10 o 215.7828 6.309734 466.3247   27.23064 466.3247   27.23064 ?          ?        215.7828 6.309734 ?        ?        ?         ?        
1 1 1 13 23 11 o 396.8144 9.721608 1581.079   77.15348 1581.079   77.15348 ?          ?        396.8144 9.721608 ?        ?        ?         ?        
1 1 1 13 23 12 o 368.0963 9.401237 1361.532   69.21120 1361.532   69.21120 ?          ?        368.0963 9.401237 ?        ?        ?         ?        
1 1 1 13 23 13 o 218.0760 7.544087 477.6707   32.90369 477.6707   32.90369 ?          ?        218.0760 7.544087 ?        ?        ?         ?        
1 1 1 13 23 14 o 174.1100 6.353712 304.6428   22.12490 304.6428   22.12490 ?          ?        174.1100 6.353712 ?        ?        ?         ?        
1 1 1 13 23 15 o 134.9523 6.095430 183.2395   16.45185 183.2395   16.45185 ?          ?        134.9523 6.095430 ?        ?        ?         ?        
1 1 1 13 23 16 o 253.3162 9.629907 655.2372   48.78823 655.2372   48.78823 ?          ?        253.3162 9.629907 ?        ?        ?         ?        
1 1 1 13 23 17 o 101.7434 14.49718 110.0572   29.49986 110.0572   29.49986 ?          ?        101.7434 14.49718 ?        ?        ?         ?        
1 1 1 13 24 0  o 464.2465 13.46691 2165.970   124.8071 2165.970   124.8071 2165.970   124.8071 464.2465 13.46691 464.2465 13.46691 -0.000000 0.000000 
1 1 1 13 24 1  o 752.6577 15.03703 5698.011   226.3547 5698.011   226.3547 ?          ?        752.6577 15.03703 ?        ?        ?         ?        
1 1 1 13 24 2  o 282.6971 6.421629 799.9000   36.30752 799.9000   36.30752 ?          ?        282.6971 6.421629 ?        ?        ?         ?        
1 1 1 13 24 3  o 398.0491 8.836323 1586.752   70.34581 1586.752   70.34581 ?          ?        398.0491 8.836323 ?        ?        ?         ?        
1 1 1 13 24 4  o 227.5128 6.109095 517.9495   27.79794 517.9495   27.79794 ?          ?        227.5128 6.109095 ?        ?        ?         ?        
1 1 1 13 24 5  o 236.2944 6.362226 558.7954   30.06716 558.7954   30.06716 ?          ?        236.2944 6.362226 ?        ?        ?         ?        
1 1 1 13 24 6  o 407.5657 9.047578 1663.905   73.74965 1663.905   73.74965 ?          ?        407.5657 9.047578 ?        ?        ?         ?        
1 1 1 13 24 7  o 141.4565 5.815159 200.2587   16.45185 200.2587   16.45185 ?          ?        141.4565 5.815159 ?        ?        ?         ?        
1 1 1 13 24 8  o 108.2778 7.597053 117.4321   16.45185 117.4321   16.45185 ?          ?        108.2778 7.597053 ?        ?        ?         ?        
1 1 1 13 24 9  o 319.4009 8.259111 1022.284   52.75936 1022.284   52.75936 ?          ?        319.4009 8.259111 ?        ?        ?         ?        
1 1 1 13 24 10 o 315.3751 7.645011 996.7548   48.22092 996.7548   48.22092 ?          ?        315.3751 7.645011 ?        ?        ?         ?        
1 1 1 13 24 11 o 223.1968 6.735571 499.2284   30.06716 499.2284   30.06716 ?          ?        223.1968 6.735571 ?        ?        ?         ?        
1 1 1 13 24 12 o 296.8193 7.453994 883.8611   44.24979 883.8611   44.24979 ?          ?        296.8193 7.453994 ?        ?        ?         ?        
1 1 1 13 24 13 o 423.2766 11.32528 1811.972   95.87454 1811.972   95.87454 ?          ?        423.2766 11.32528 ?        ?        ?         ?        
1 1 1 13 24 14 o 105.0534 7.830226 111.1918   16.45185 111.1918   16.45185 ?          ?        105.0534 7.830226 ?        ?        ?         ?        
1 1 1 13 24 15 o 20.70651 9.781186 -12.48071  10.77879 -12.48071  10.77879 ?          ?        20.70651 9.781186 ?        ?        ?         ?        
1 1 1 13 24 16 o 168.2623 8.428880 288.1909   28.36525 288.1909   28.36525 ?          ?        168.2623 8.428880 ?        ?        ?         ?        
1 1 1 13 24 17 o 50.65262 19.31739 23.25950   27.23064 23.25950   27.23064 ?          ?        50.65262 19.31739 ?        ?        ?         ?        
1 1 1 13 25 0  o 95.14090 10.03713 93.60532   18.72106 93.60532   18.72106 93.60532   18.72106 95.14090 10.03713 95.14090 10.03713 -0.000000 0.000000 
1 1 1 13 25 1  o 407.1494 9.823175 1661.069   79.99000 1661.069   79.99000 ?          ?        407.1494 9.823175 ?        ?        ?         ?        
1 1 1 13 25 2  o 560.2697 12.20131 3147.976   136.7205 3147.976   136.7205 ?          ?        560.2697 12.20131 ?        ?        ?         ?        
1 1 1 13 25 3  o 245.6130 5.774377 603.6125   28.36525 603.6125   28.36525 ?          ?        245.6130 5.774377 ?        ?        ?         ?        
1 1 1 13 25 4  o 489.7000 11.64267 2403.671   114.0283 2403.671   114.0283 ?          ?        489.7000 11.64267 ?        ?        ?         ?        
1 1 1 13 25 5  o 764.9869 17.76103 5892.029   271.7391 5892.029   271.7391 ?          ?        764.9869 17.76103 ?        ?        ?         ?        
1 1 1 13 25 6  o 974.0261 22.48191 9581.780   437.9594 9581.780   437.9594 ?          ?        974.0261 22.48191 ?        ?        ?         ?        
1 1 1 13 25 7  o 281.5363 7.254118 793.6596   40.84595 793.6596   40.84595 ?          ?        281.5363 7.254118 ?        ?        ?         ?        
1 1 1 13 25 8  o 525.3492 11.66252 2771.285   122.5379 2771.285   122.5379 ?          ?        525.3492 11.66252 ?        ?        ?         ?        
1 1 1 13 25 9  o 883.1158 19.40019 7893.481   342.6522 7893.481   342.6522 ?          ?        883.1158 19.40019 ?        ?        ?         ?        
1 1 1 13 25 10 o 200.6272 7.634674 403.3539   30.63447 403.3539   30.63447 ?          ?        200.6272 7.634674 ?        ?        ?         ?        
1 1 1 13 25 11 o 423.8968 10.43881 1805.732   88.49958 1805.732   88.49958 ?          ?        423.8968 10.43881 ?        ?        ?         ?        
1 1 1 13 25 12 o 259.4201 6.888482 675.0929   35.74022 675.0929   35.74022 ?          ?        259.4201 6.888482 ?        ?        ?         ?        
1 1 1 13 25 13 o 47.46905 16.06295 21.55759   18.15376 21.55759   18.15376 ?          ?        47.46905 16.06295 ?        ?        ?         ?        
1 1 1 13 25 14 o 234.6984 6.888924 554.2570   32.33638 554.2570   32.33638 ?          ?        234.6984 6.888924 ?        ?        ?         ?        
1 1 1 13 25 15 o 267.3622 7.532602 721.6119   40.27865 721.6119   40.27865 ?          ?        267.3622 7.532602 ?        ?        ?         ?        
1 1 1 13 25 16 f 137.4813 10.52236 194.5856   28.93255 194.5856   28.93255 ?          ?        137.4813 10.52236 ?        ?        ?         ?        
1 1 1 13 25 17 o 130.5177 11.95308 178.1338   31.20177 178.1338   31.20177 ?          ?        130.5177 11.95308 ?        ?        ?         ?        
1 1 1 13 26 0  o 410.5505 12.11414 1692.271   99.27837 1692.271   99.27837 1692.271   99.27837 410.5505 12.11414 410.5505 12.11414 -0.000000 0.000000 
1 1 1 13 26 1  o 184.2879 5.541052 339.8157   20.42298 339.8157   20.42298 ?          ?        184.2879 5.541052 ?        ?        ?         ?        
1 1 1 13 26 2  o 415.1685 9.291827 1726.309   77.15348 1726.309   77.15348 ?          ?        415.1685 9.291827 ?        ?        ?         ?        
1 1 1 13 26 3  o 248.9311 6.153202 620.0643   30.63447 620.0643   30.63447 ?          ?        248.9311 6.153202 ?        ?        ?         ?        
1 1 1 13 26 4  o 885.5053 20.40492 7903.692   361.3732 7903.692   361.3732 ?          ?        885.5053 20.40492 ?        ?        ?         ?        
1 1 1 13 26 5  o 602.5341 14.02882 3646.069   169.0569 3646.069   169.0569 ?          ?        602.5341 14.02882 ?        ?        ?         ?        
1 1 1 13 26 6  o 662.1257 15.50796 4406.258   205.3644 4406.258   205.3644 ?          ?        662.1257 15.50796 ?        ?        ?         ?        
1 1 1 13 26 7  o 700.1987 16.40666 4936.120   229.7585 4936.120   229.7585 ?          ?        700.1987 16.40666 ?        ?        ?         ?        
1 1 1 13 26 8  o 84.77659 9.033882 72.04772   15.31723 72.04772   15.31723 ?          ?        84.77659 9.033882 ?        ?        ?         ?        
1 1 1 13 26 9  o 207.6222 6.557738 431.7191   27.23064 431.7191   27.23064 ?          ?        207.6222 6.557738 ?        ?        ?         ?        
1 1 1 13 26 10 o 154.7281 8.066222 239.9700   24.96142 239.9700   24.96142 ?          ?        154.7281 8.066222 ?        ?        ?         ?        
1 1 1 13 26 11 o 537.3153 12.82814 2908.005   137.8551 2908.005   137.8551 ?          ?        537.3153 12.82814 ?        ?        ?         ?        
1 1 1 13 26 12 o 176.8273 6.897722 313.7196   24.39412 313.7196   24.39412 ?          ?        176.8273 6.897722 ?        ?        ?         ?        
1 1 1 13 26 13 o 216.3333 6.424796 469.7285   27.79794 469.7285   27.79794 ?          ?        216.3333 6.424796 ?        ?        ?         ?        
1 1 1 13 26 14 o 61.02617 13.80116 39.71135   16.45185 39.71135   16.45185 ?          ?        61.02617 13.80116 ?        ?        ?         ?        
1 1 1 13 26 15 o 267.4005 8.167988 723.3138   43.68248 723.3138   43.68248 ?          ?        267.4005 8.167988 ?        ?        ?         ?        
1 1 1 13 26 16 o 56.63170 19.46139 33.47099   26.66333 33.47099   26.66333 ?          ?        56.63170 19.46139 ?        ?        ?         ?        
1 1 1 13 26 17 o 94.68731 12.58184 94.17262   23.82681 94.17262   23.82681 ?          ?        94.68731 12.58184 ?        ?        ?         ?        
1 1 1 13 27 0  o 731.8056 20.77391 5388.830   303.5081 5388.830   303.5081 5388.830   303.5081 731.8056 20.77391 731.8056 20.77391 -0.000000 0.000000 
1 1 1 13 27 1  o 348.7429 7.564221 1217.436   52.75936 1217.436   52.75936 ?          ?        348.7429 7.564221 ?        ?        ?         ?        
1 1 1 13 27 2  o 475.8940 11.44399 2269.787   108.9226 2269.787   108.9226 ?          ?        475.8940 11.44399 ?        ?        ?         ?        
1 1 1 13 27 3  o 481.1638 10.49334 2319.710   100.9803 2319.710   100.9803 ?          ?        481.1638 10.49334 ?        ?        ?         ?        
1 1 1 13 27 4  o 400.9575 10.04562 1611.146   80.55730 1611.146   80.55730 ?          ?        400.9575 10.04562 ?        ?        ?         ?        
1 1 1 13 27 5  o 590.3348 13.93433 3498.570   164.5184 3498.570   164.5184 ?          ?        590.3348 13.93433 ?        ?        ?         ?        
1 1 1 13 27 6  o 734.4252 18.57737 5437.051   272.8737 5437.051   272.8737 ?          ?        734.4252 18.57737 ?        ?        ?         ?        
1 1 1 13 27 7  f 327.0134 7.719888 1071.072   50.49014 1071.072   50.49014 ?          ?        327.0134 7.719888 ?        ?        ?         ?        
1 1 1 13 27 8  o 280.5594 7.784890 788.5540   43.68248 788.5540   43.68248 ?          ?        280.5594 7.784890 ?        ?        ?         ?        
1 1 1 13 27 9  o 407.3007 9.889169 1665.040   80.55730 1665.040   80.55730 ?          ?        407.3007 9.889169 ?        ?        ?         ?        
1 1 1 13 27 10 o 168.7856 6.554142 285.3544   22.12490 285.3544   22.12490 ?          ?        168.7856 6.554142 ?        ?        ?         ?        
1 1 1 13 27 11 o 280.4423 7.282417 788.5540   40.84595 788.5540   40.84595 ?          ?        280.4423 7.282417 ?        ?        ?         ?        
1 1 1 13 27 12 o 80.79422 10.88349 65.80738   17.58645 65.80738   17.58645 ?          ?        80.79422 10.88349 ?        ?        ?         ?        
1 1 1 13 27 13 o 440.3161 10.95143 1963.443   96.44185 1963.443   96.44185 ?          ?        440.3161 10.95143 ?        ?        ?         ?        
1 1 1 13 27 14 o 259.4280 7.434962 678.4968   38.57674 678.4968   38.57674 ?          ?        259.4280 7.434962 ?        ?        ?         ?        
1 1 1 13 27 15 o 201.6985 6.609701 410.1615   26.66333 410.1615   26.66333 ?          ?        201.6985 6.609701 ?        ?        ?         ?        
1 1 1 13 27 16 o 97.49802 5.818631 95.87454   11.34610 95.87454   11.34610 ?          ?        97.49802 5.818631 ?        ?        ?         ?        
1 1 1 13 27 17 o 28.19655 13.69582 -38.00943  24.39412 -38.00943  24.39412 ?          ?        28.19655 13.69582 ?        ?        ?         ?        
1 1 1 13 28 0  o 450.7017 15.26886 2042.298   137.2878 2042.298   137.2878 2042.298   137.2878 450.7017 15.26886 450.7017 15.26886 -0.000000 0.000000 
1 1 1 13 28 1  o 441.1888 9.193867 1949.260   81.12460 1949.260   81.12460 ?          ?        441.1888 9.193867 ?        ?        ?         ?        
1 1 1 13 28 2  o 664.3794 13.36333 4427.815   177.5665 4427.815   177.5665 ?          ?        664.3794 13.36333 ?        ?        ?         ?        
1 1 1 13 28 3  o 119.7502 6.632365 143.5282   15.88454 143.5282   15.88454 ?          ?        119.7502 6.632365 ?        ?        ?         ?        
1 1 1 13 28 4  o 689.9457 15.99268 4786.919   220.6816 4786.919   220.6816 ?          ?        689.9457 15.99268 ?        ?        ?         ?        
1 1 1 13 28 5  o 324.4514 8.043124 1054.053   52.19205 1054.053   52.19205 ?          ?        324.4514 8.043124 ?        ?        ?         ?        
1 1 1 13 28 6  o 166.9899 6.115035 279.1140   20.42298 279.1140   20.42298 ?          ?        166.9899 6.115035 ?        ?        ?         ?        
1 1 1 13 28 7  o 703.1819 17.99094 4991.716   253.0180 4991.716   253.0180 ?          ?        703.1819 17.99094 ?        ?        ?         ?        
1 1 1 13 28 8  o 553.2191 13.12591 3076.495   145.2301 3076.495   145.2301 ?          ?        553.2191 13.12591 ?        ?        ?         ?        
1 1 1 13 28 9  o 282.0456 7.241021 797.0634   40.84595 797.0634   40.84595 ?          ?        282.0456 7.241021 ?        ?        ?         ?        
1 1 1 13 28 10 o 72.43555 11.35619 52.75936   16.45185 52.75936   16.45185 ?          ?        72.43555 11.35619 ?        ?        ?         ?        
1 1 1 13 28 11 o 617.4531 13.78173 3852.001   170.1915 3852.001   170.1915 ?          ?        617.4531 13.78173 ?        ?        ?         ?        
1 1 1 13 28 12 o 260.2602 6.975235 679.6313   36.30752 679.6313   36.30752 ?          ?        260.2602 6.975235 ?        ?        ?         ?        
1 1 1 13 28 13 o 177.6330 6.387383 317.1235   22.69220 317.1235   22.69220 ?          ?        177.6330 6.387383 ?        ?        ?         ?        
1 1 1 13 28 14 o 130.5043 7.824641 171.8934   20.42298 171.8934   20.42298 ?          ?        130.5043 7.824641 ?        ?        ?         ?        
1 1 1 13 28 15 o 111.6254 7.115109 125.9417   15.88454 125.9417   15.88454 ?          ?        111.6254 7.115109 ?        ?        ?         ?        
1 1 1 13 28 16 o 56.29789 8.565317 32.33638   9.644185 32.33638   9.644185 ?          ?        56.29789 8.565317 ?        ?        ?         ?        
1 1 1 13 28 17 o 34.15128 15.38177 -7.374964  22.12490 -7.374964  22.12490 ?          ?        34.15128 15.38177 ?        ?        ?         ?        
1 1 1 13 29 0  o 126.9196 8.572085 163.3838   21.55759 163.3838   21.55759 163.3838   21.55759 126.9196 8.572085 126.9196 8.572085 -0.000000 0.000000 
1 1 1 13 29 1  o 477.2484 9.866207 2281.700   94.17262 2281.700   94.17262 ?          ?        477.2484 9.866207 ?        ?        ?         ?        
1 1 1 13 29 2  o 403.4255 8.507631 1629.867   68.64390 1629.867   68.64390 ?          ?        403.4255 8.507631 ?        ?        ?         ?        
1 1 1 13 29 3  o 146.1701 6.791974 213.8740   19.85567 213.8740   19.85567 ?          ?        146.1701 6.791974 ?        ?        ?         ?        
1 1 1 13 29 4  o 406.6565 10.11409 1657.098   82.25922 1657.098   82.25922 ?          ?        406.6565 10.11409 ?        ?        ?         ?        
1 1 1 13 29 5  o 318.9294 8.716018 1018.880   55.59589 1018.880   55.59589 ?          ?        318.9294 8.716018 ?        ?        ?         ?        
1 1 1 13 29 6  o 211.3167 6.577318 447.0363   27.79794 447.0363   27.79794 ?          ?        211.3167 6.577318 ?        ?        ?         ?        
1 1 1 13 29 7  o 148.2727 6.313051 220.1143   18.72106 220.1143   18.72106 ?          ?        148.2727 6.313051 ?        ?        ?         ?        
1 1 1 13 29 8  o 176.3611 6.433447 311.4504   22.69220 311.4504   22.69220 ?          ?        176.3611 6.433447 ?        ?        ?         ?        
1 1 1 13 29 9  o 423.9616 10.50412 1804.597   89.06688 1804.597   89.06688 ?          ?        423.9616 10.50412 ?        ?        ?         ?        
1 1 1 13 29 10 o 173.2064 6.878154 300.6716   23.82681 300.6716   23.82681 ?          ?        173.2064 6.878154 ?        ?        ?         ?        
1 1 1 13 29 11 o 305.5469 7.612416 936.6205   46.51900 936.6205   46.51900 ?          ?        305.5469 7.612416 ?        ?        ?         ?        
1 1 1 13 29 12 o 54.08591 15.14020 30.63447   17.01915 30.63447   17.01915 ?          ?        54.08591 15.14020 ?        ?        ?         ?        
1 1 1 13 29 13 o 341.3167 8.975379 1176.590   61.26894 1176.590   61.26894 ?          ?        341.3167 8.975379 ?        ?        ?         ?        
1 1 1 13 29 14 o 173.3190 6.382709 302.3735   22.12490 302.3735   22.12490 ?          ?        173.3190 6.382709 ?        ?        ?         ?        
1 1 1 13 29 15 o 248.9922 9.227538 631.9777   45.95170 631.9777   45.95170 ?          ?        248.9922 9.227538 ?        ?        ?         ?        
1 1 1 13 29 16 o 60.45847 9.383384 37.44213   11.34610 37.44213   11.34610 ?          ?        60.45847 9.383384 ?        ?        ?         ?        
1 1 1 13 29 17 o 45.44552 18.17440 15.31723   24.96142 15.31723   24.96142 ?          ?        45.44552 18.17440 ?        ?        ?         ?        
1 1 1 13 30 0  o 225.0565 8.216247 508.8725   36.87482 508.8725   36.87482 508.8725   36.87482 225.0565 8.216247 225.0565 8.216247 -0.000000 0.000000 
1 1 1 13 30 1  o 512.1415 10.46787 2628.891   107.2206 2628.891   107.2206 ?          ?        512.1415 10.46787 ?        ?        ?         ?        
1 1 1 13 30 2  o 166.6506 6.467901 277.9794   21.55759 277.9794   21.55759 ?          ?        166.6506 6.467901 ?        ?        ?         ?        
1 1 1 13 30 3  o 288.6404 6.780762 833.9382   39.14404 833.9382   39.14404 ?          ?        288.6404 6.780762 ?        ?        ?         ?        
1 1 1 13 30 4  o 449.6803 10.91261 2026.980   98.14376 2026.980   98.14376 ?          ?        449.6803 10.91261 ?        ?        ?         ?        
1 1 1 13 30 5  o 247.6867 7.787405 614.3914   38.57674 614.3914   38.57674 ?          ?        247.6867 7.787405 ?        ?        ?         ?        
1 1 1 13 30 6  o 492.7693 12.72141 2438.844   125.3744 2438.844   125.3744 ?          ?        492.7693 12.72141 ?        ?        ?         ?        
1 1 1 13 30 7  o 268.4456 6.762546 721.6119   36.30752 721.6119   36.30752 ?          ?        268.4456 6.762546 ?        ?        ?         ?        
1 1 1 13 30 8  o 390.8063 9.000088 1531.723   70.34581 1531.723   70.34581 ?          ?        390.8063 9.000088 ?        ?        ?         ?        
1 1 1 13 30 9  o 100.0677 8.787278 100.4130   17.58645 100.4130   17.58645 ?          ?        100.0677 8.787278 ?        ?        ?         ?        
1 1 1 13 30 10 o 307.1949 7.848588 946.2647   48.22092 946.2647   48.22092 ?          ?        307.1949 7.848588 ?        ?        ?         ?        
1 1 1 13 30 11 o 253.0093 7.063024 642.1892   35.74022 642.1892   35.74022 ?          ?        253.0093 7.063024 ?        ?        ?         ?        
1 1 1 13 30 12 o 271.3512 7.212802 739.7656   39.14404 739.7656   39.14404 ?          ?        271.3512 7.212802 ?        ?        ?         ?        
1 1 1 13 30 13 o 155.3668 6.937643 242.8065   21.55759 242.8065   21.55759 ?          ?        155.3668 6.937643 ?        ?        ?         ?        
1 1 1 13 30 14 o 187.1904 6.515856 352.8637   24.39412 352.8637   24.39412 ?          ?        187.1904 6.515856 ?        ?        ?         ?        
1 1 1 13 30 15 o 212.1489 7.353744 455.5459   31.20177 455.5459   31.20177 ?          ?        212.1489 7.353744 ?        ?        ?         ?        
1 1 1 13 30 16 o 64.44839 9.242593 42.54787   11.91340 42.54787   11.91340 ?          ?        64.44839 9.242593 ?        ?        ?         ?        
1 1 1 13 31 0  o 21.05595 14.76132 -19.85567  22.12490 -19.85567  22.12490 -19.85567  22.12490 21.05595 14.76132 21.05595 14.76132 -0.000000 0.000000 
1 1 1 13 31 1  o 285.1900 6.464957 814.0826   36.87482 814.0826   36.87482 ?          ?        285.1900 6.464957 ?        ?        ?         ?        
1 1 1 13 31 2  o 387.5258 8.271122 1503.926   64.10546 1503.926   64.10546 ?          ?        387.5258 8.271122 ?        ?        ?         ?        
1 1 1 13 31 3  f 275.2921 6.491327 758.4867   35.74022 758.4867   35.74022 ?          ?        275.2921 6.491327 ?        ?        ?         ?        
1 1 1 13 31 4  o 521.1921 13.49710 2727.602   140.6916 2727.602   140.6916 ?          ?        521.1921 13.49710 ?        ?        ?         ?        
1 1 1 13 31 5  o 296.6581 8.318587 881.5919   49.35553 881.5919   49.35553 ?          ?        296.6581 8.318587 ?        ?        ?         ?        
1 1 1 13 31 6  o 162.1523 6.122539 263.2295   19.85567 263.2295   19.85567 ?          ?        162.1523 6.122539 ?        ?        ?         ?        
1 1 1 13 31 7  o 279.0677 7.318286 780.0444   40.84595 780.0444   40.84595 ?          ?        279.0677 7.318286 ?        ?        ?         ?        
1 1 1 13 31 8  o 503.3405 12.17246 2547.767   122.5379 2547.767   122.5379 ?          ?        503.3405 12.17246 ?        ?        ?         ?        
1 1 1 13 31 9  o 235.5912 6.622016 555.9589   31.20177 555.9589   31.20177 ?          ?        235.5912 6.622016 ?        ?        ?         ?        
1 1 1 13 31 10 o 178.3558 6.997648 318.8254   24.96142 318.8254   24.96142 ?          ?        178.3558 6.997648 ?        ?        ?         ?        
1 1 1 13 31 11 o 313.2330 7.878406 985.4087   49.35553 985.4087   49.35553 ?          ?        313.2330 7.878406 ?        ?        ?         ?        
1 1 1 13 31 12 o 307.5428 8.577564 951.9377   52.75936 951.9377   52.75936 ?          ?        307.5428 8.577564 ?        ?        ?         ?        
1 1 1 13 31 13 o 121.9090 7.678295 149.7685   18.72106 149.7685   18.72106 ?          ?        121.9090 7.678295 ?        ?        ?         ?        
1 1 1 13 31 14 o 86.91277 9.138208 76.58617   15.88454 76.58617   15.88454 ?          ?        86.91277 9.138208 ?        ?        ?         ?        
1 1 1 13 31 15 o 93.64495 7.875453 89.06688   14.74993 89.06688   14.74993 ?          ?        93.64495 7.875453 ?        ?        ?         ?        
1 1 1 13 31 16 o 36.50242 12.96259 12.48071   11.91340 12.48071   11.91340 ?          ?        36.50242 12.96259 ?        ?        ?         ?        
1 1 1 13 32 0  o 92.65511 13.73540 89.63419   24.39412 89.63419   24.39412 89.63419   24.39412 92.65511 13.73540 92.65511 13.73540 -0.000000 0.000000 
1 1 1 13 32 1  o 828.3621 19.14160 6912.611   317.1235 6912.611   317.1235 ?          ?        828.3621 19.14160 ?        ?        ?         ?        
1 1 1 13 32 2  o 713.5815 14.31019 5112.553   204.2298 5112.553   204.2298 ?          ?        713.5815 14.31019 ?        ?        ?         ?        
1 1 1 13 32 3  o 291.9725 8.452085 853.7939   49.35553 853.7939   49.35553 ?          ?        291.9725 8.452085 ?        ?        ?         ?        
1 1 1 13 32 4  o 787.5419 19.88163 6262.479   313.1523 6262.479   313.1523 ?          ?        787.5419 19.88163 ?        ?        ?         ?        
1 1 1 13 32 5  o 255.3773 6.775388 652.9680   34.60560 652.9680   34.60560 ?          ?        255.3773 6.775388 ?        ?        ?         ?        
1 1 1 13 32 6  o 454.6332 11.91678 2075.769   108.3553 2075.769   108.3553 ?          ?        454.6332 11.91678 ?        ?        ?         ?        
1 1 1 13 32 7  o 230.2752 6.528528 530.9974   30.06716 530.9974   30.06716 ?          ?        230.2752 6.528528 ?        ?        ?         ?        
1 1 1 13 32 8  o 378.7567 8.837070 1438.685   66.94199 1438.685   66.94199 ?          ?        378.7567 8.837070 ?        ?        ?         ?        
1 1 1 13 32 9  o 111.0475 8.173875 123.6725   18.15376 123.6725   18.15376 ?          ?        111.0475 8.173875 ?        ?        ?         ?        
1 1 1 13 32 10 o 373.6170 8.882716 1401.811   66.37468 1401.811   66.37468 ?          ?        373.6170 8.882716 ?        ?        ?         ?        
1 1 1 13 32 11 f 363.8943 8.964149 1331.465   65.24007 1331.465   65.24007 ?          ?        363.8943 8.964149 ?        ?        ?         ?        
1 1 1 13 32 12 o 122.6947 7.860313 151.4704   19.28837 151.4704   19.28837 ?          ?        122.6947 7.860313 ?        ?        ?         ?        
1 1 1 13 32 13 o 208.7402 6.658504 438.5268   27.79794 438.5268   27.79794 ?          ?        208.7402 6.658504 ?        ?        ?         ?        
1 1 1 13 32 14 o 285.5615 7.946518 824.2941   45.38440 824.2941   45.38440 ?          ?        285.5615 7.946518 ?        ?        ?         ?        
1 1 1 13 32 15 o 106.4833 7.725082 115.1629   16.45185 115.1629   16.45185 ?          ?        106.4833 7.725082 ?        ?        ?         ?        
1 1 1 13 32 16 o 137.0576 7.450506 191.1818   20.42298 191.1818   20.42298 ?          ?        137.0576 7.450506 ?        ?        ?         ?        
1 1 1 13 33 0  o 548.1861 15.96699 3020.332   174.7299 3020.332   174.7299 3020.332   174.7299 548.1861 15.96699 548.1861 15.96699 -0.000000 0.000000 
1 1 1 13 33 1  o 517.2112 10.52979 2681.083   108.9226 2681.083   108.9226 ?          ?        517.2112 10.52979 ?        ?        ?         ?        
1 1 1 13 33 2  o 299.4824 7.671853 898.0438   45.95170 898.0438   45.95170 ?          ?        299.4824 7.671853 ?        ?        ?         ?        
1 1 1 13 33 3  o 500.6108 12.80545 2515.998   128.2109 2515.998   128.2109 ?          ?        500.6108 12.80545 ?        ?        ?         ?        
1 1 1 13 33 4  o 312.9480 7.794942 980.8702   48.78823 980.8702   48.78823 ?          ?        312.9480 7.794942 ?        ?        ?         ?        
1 1 1 13 33 5  o 116.5287 9.493325 136.1532   22.12490 136.1532   22.12490 ?          ?        116.5287 9.493325 ?        ?        ?         ?        
1 1 1 13 33 6  o 418.2643 11.05410 1755.809   92.47070 1755.809   92.47070 ?          ?        418.2643 11.05410 ?        ?        ?         ?        
1 1 1 13 33 7  o 189.5089 6.436139 359.6714   24.39412 359.6714   24.39412 ?          ?        189.5089 6.436139 ?        ?        ?         ?        
1 1 1 13 33 8  o 245.8435 8.307308 605.8817   40.84595 605.8817   40.84595 ?          ?        245.8435 8.307308 ?        ?        ?         ?        
1 1 1 13 33 9  o 234.1900 7.024998 549.7185   32.90369 549.7185   32.90369 ?          ?        234.1900 7.024998 ?        ?        ?         ?        
1 1 1 13 33 10 o 181.3231 6.726697 329.6042   24.39412 329.6042   24.39412 ?          ?        181.3231 6.726697 ?        ?        ?         ?        
1 1 1 13 33 11 o 332.2704 8.024588 1109.081   53.32666 1109.081   53.32666 ?          ?        332.2704 8.024588 ?        ?        ?         ?        
1 1 1 13 33 12 o 296.2603 7.563803 883.8611   44.81709 883.8611   44.81709 ?          ?        296.2603 7.563803 ?        ?        ?         ?        
1 1 1 13 33 13 o 155.3266 6.574204 242.8065   20.42298 242.8065   20.42298 ?          ?        155.3266 6.574204 ?        ?        ?         ?        
1 1 1 13 33 14 o 390.0126 11.92756 1561.791   93.03801 1561.791   93.03801 ?          ?        390.0126 11.92756 ?        ?        ?         ?        
1 1 1 13 33 15 o 119.2421 7.374262 144.0954   17.58645 144.0954   17.58645 ?          ?        119.2421 7.374262 ?        ?        ?         ?        
1 1 1 13 33 16 o 79.51920 9.987864 65.24007   15.88454 65.24007   15.88454 ?          ?        79.51920 9.987864 ?        ?        ?         ?        
1 1 1 13 34 0  o 298.4769 15.38699 900.3129   91.33610 900.3129   91.33610 900.3129   91.33610 298.4769 15.38699 298.4769 15.38699 -0.000000 0.000000 
1 1 1 13 34 1  o 347.0219 8.173908 1206.090   56.73050 1206.090   56.73050 ?          ?        347.0219 8.173908 ?        ?        ?         ?        
1 1 1 13 34 2  o 97.81998 8.989194 95.87454   17.58645 95.87454   17.58645 ?          ?        97.81998 8.989194 ?        ?        ?         ?        
1 1 1 13 34 3  o 341.8610 8.712172 1170.917   59.56702 1170.917   59.56702 ?          ?        341.8610 8.712172 ?        ?        ?         ?        
1 1 1 13 34 4  o 312.1167 7.724823 975.7645   48.22092 975.7645   48.22092 ?          ?        312.1167 7.724823 ?        ?        ?         ?        
1 1 1 13 34 5  o 384.4046 10.25682 1482.368   78.85539 1482.368   78.85539 ?          ?        384.4046 10.25682 ?        ?        ?         ?        
1 1 1 13 34 6  o 208.3100 6.808422 434.5556   28.36525 434.5556   28.36525 ?          ?        208.3100 6.808422 ?        ?        ?         ?        
1 1 1 13 34 7  o 203.9009 6.399194 416.4019   26.09603 416.4019   26.09603 ?          ?        203.9009 6.399194 ?        ?        ?         ?        
1 1 1 13 34 8  o 338.1016 9.647997 1147.091   65.24007 1147.091   65.24007 ?          ?        338.1016 9.647997 ?        ?        ?         ?        
1 1 1 13 34 9  o 389.6516 9.099555 1523.781   70.91312 1523.781   70.91312 ?          ?        389.6516 9.099555 ?        ?        ?         ?        
1 1 1 13 34 10 o 147.1529 7.324895 217.2778   21.55759 217.2778   21.55759 ?          ?        147.1529 7.324895 ?        ?        ?         ?        
1 1 1 13 34 11 o 109.3250 8.562119 120.2687   18.72106 120.2687   18.72106 ?          ?        109.3250 8.562119 ?        ?        ?         ?        
1 1 1 13 34 12 o 35.51053 14.69610 3.971134   17.01915 3.971134   17.01915 ?          ?        35.51053 14.69610 ?        ?        ?         ?        
1 1 1 13 34 13 o 46.83583 15.29147 22.12490   16.45185 22.12490   16.45185 ?          ?        46.83583 15.29147 ?        ?        ?         ?        
1 1 1 13 34 14 o 184.6923 6.603987 344.3541   24.39412 344.3541   24.39412 ?          ?        184.6923 6.603987 ?        ?        ?         ?        
1 1 1 13 34 15 o 96.51033 7.935541 94.73994   15.31723 94.73994   15.31723 ?          ?        96.51033 7.935541 ?        ?        ?         ?        
1 1 1 13 34 16 o 62.91744 11.70796 42.54787   14.18262 42.54787   14.18262 ?          ?        62.91744 11.70796 ?        ?        ?         ?        
1 1 1 13 35 0  o 85.97425 15.64900 80.55730   24.39412 80.55730   24.39412 80.55730   24.39412 85.97425 15.64900 85.97425 15.64900 -0.000000 0.000000 
1 1 1 13 35 1  o 149.6084 6.825481 224.0854   20.42298 224.0854   20.42298 ?          ?        149.6084 6.825481 ?        ?        ?         ?        
1 1 1 13 35 2  f 373.2083 8.816442 1395.570   65.80738 1395.570   65.80738 ?          ?        373.2083 8.816442 ?        ?        ?         ?        
1 1 1 13 35 3  o 488.0147 11.56663 2390.056   112.8937 2390.056   112.8937 ?          ?        488.0147 11.56663 ?        ?        ?         ?        
1 1 1 13 35 4  o 670.7862 16.99920 4539.007   228.0566 4539.007   228.0566 ?          ?        670.7862 16.99920 ?        ?        ?         ?        
1 1 1 13 35 5  o 90.55308 10.33707 82.25922   18.72106 82.25922   18.72106 ?          ?        90.55308 10.33707 ?        ?        ?         ?        
1 1 1 13 35 6  o 157.4984 7.023849 248.4796   22.12490 248.4796   22.12490 ?          ?        157.4984 7.023849 ?        ?        ?         ?        
1 1 1 13 35 7  o 85.69183 10.92348 73.74965   18.72106 73.74965   18.72106 ?          ?        85.69183 10.92348 ?        ?        ?         ?        
1 1 1 13 35 8  o 159.7753 7.278818 255.8545   23.25950 255.8545   23.25950 ?          ?        159.7753 7.278818 ?        ?        ?         ?        
1 1 1 13 35 9  o 140.9273 7.245928 199.1240   20.42298 199.1240   20.42298 ?          ?        140.9273 7.245928 ?        ?        ?         ?        
1 1 1 13 35 10 o 311.4322 7.832881 974.0626   48.78823 974.0626   48.78823 ?          ?        311.4322 7.832881 ?        ?        ?         ?        
1 1 1 13 35 11 o 129.2842 7.240276 167.9223   18.72106 167.9223   18.72106 ?          ?        129.2842 7.240276 ?        ?        ?         ?        
1 1 1 13 35 12 o 80.53372 10.91869 65.80738   17.58645 65.80738   17.58645 ?          ?        80.53372 10.91869 ?        ?        ?         ?        
1 1 1 13 35 13 o 22.75016 11.09568 -29.49986  16.45185 -29.49986  16.45185 ?          ?        22.75016 11.09568 ?        ?        ?         ?        
1 1 1 13 35 14 o 220.8757 7.191619 493.5553   31.76908 493.5553   31.76908 ?          ?        220.8757 7.191619 ?        ?        ?         ?        
1 1 1 13 35 15 o 123.1817 6.908147 153.7396   17.01915 153.7396   17.01915 ?          ?        123.1817 6.908147 ?        ?        ?         ?        
1 1 1 13 35 16 o 162.6217 6.453716 268.3353   20.99029 268.3353   20.99029 ?          ?        162.6217 6.453716 ?        ?        ?         ?        
1 1 1 13 36 0  f 188.6486 9.677030 359.1040   36.30752 359.1040   36.30752 359.1040   36.30752 188.6486 9.677030 188.6486 9.677030 -0.000000 0.000000 
1 1 1 13 36 1  o 234.3227 6.778915 549.7185   31.76908 549.7185   31.76908 ?          ?        234.3227 6.778915 ?        ?        ?         ?        
1 1 1 13 36 2  o 129.9135 7.860222 169.0569   20.42298 169.0569   20.42298 ?          ?        129.9135 7.860222 ?        ?        ?         ?        
1 1 1 13 36 3  o 186.3684 6.392395 347.7579   23.82681 347.7579   23.82681 ?          ?        186.3684 6.392395 ?        ?        ?         ?        
1 1 1 13 36 4  o 588.3978 15.04077 3485.522   176.9992 3485.522   176.9992 ?          ?        588.3978 15.04077 ?        ?        ?         ?        
1 1 1 13 36 5  o 102.0579 8.337988 104.3841   17.01915 104.3841   17.01915 ?          ?        102.0579 8.337988 ?        ?        ?         ?        
1 1 1 13 36 6  o 485.6611 11.91471 2371.335   115.7302 2371.335   115.7302 ?          ?        485.6611 11.91471 ?        ?        ?         ?        
1 1 1 13 36 7  o 314.7072 9.103354 993.3511   57.29780 993.3511   57.29780 ?          ?        314.7072 9.103354 ?        ?        ?         ?        
1 1 1 13 36 8  o 386.2357 9.180030 1497.685   70.91312 1497.685   70.91312 ?          ?        386.2357 9.180030 ?        ?        ?         ?        
1 1 1 13 36 9  o 537.0888 13.94262 2915.380   149.7685 2915.380   149.7685 ?          ?        537.0888 13.94262 ?        ?        ?         ?        
1 1 1 13 36 10 o 189.3568 6.740907 359.6714   25.52872 359.6714   25.52872 ?          ?        189.3568 6.740907 ?        ?        ?         ?        
1 1 1 13 36 11 o 213.8785 6.896406 459.5170   29.49986 459.5170   29.49986 ?          ?        213.8785 6.896406 ?        ?        ?         ?        
1 1 1 13 36 12 o 322.6442 8.439837 1051.216   54.46128 1051.216   54.46128 ?          ?        322.6442 8.439837 ?        ?        ?         ?        
1 1 1 13 36 13 f 99.56326 8.831799 100.4130   17.58645 100.4130   17.58645 ?          ?        99.56326 8.831799 ?        ?        ?         ?        
1 1 1 13 36 14 o 19.99152 10.04330 -50.49014  17.58645 -50.49014  17.58645 ?          ?        19.99152 10.04330 ?        ?        ?         ?        
1 1 1 13 36 15 o 166.4594 6.816136 280.8159   22.69220 280.8159   22.69220 ?          ?        166.4594 6.816136 ?        ?        ?         ?        
1 1 1 13 36 16 o 52.66849 13.82664 30.63447   14.74993 30.63447   14.74993 ?          ?        52.66849 13.82664 ?        ?        ?         ?        
1 1 1 13 37 0  f 212.1944 9.938675 453.8440   41.98057 453.8440   41.98057 453.8440   41.98057 212.1944 9.938675 212.1944 9.938675 -0.000000 0.000000 
1 1 1 13 37 1  o 355.2473 8.304036 1264.523   58.99971 1264.523   58.99971 ?          ?        355.2473 8.304036 ?        ?        ?         ?        
1 1 1 13 37 2  o 399.0415 9.169765 1596.396   73.18234 1596.396   73.18234 ?          ?        399.0415 9.169765 ?        ?        ?         ?        
1 1 1 13 37 3  f 251.6581 6.988233 634.2470   35.17290 634.2470   35.17290 ?          ?        251.6581 6.988233 ?        ?        ?         ?        
1 1 1 13 37 4  o 86.35416 11.82513 74.88425   20.42298 74.88425   20.42298 ?          ?        86.35416 11.82513 ?        ?        ?         ?        
1 1 1 13 37 5  f 90.23393 9.744923 81.69191   17.58645 81.69191   17.58645 ?          ?        90.23393 9.744923 ?        ?        ?         ?        
1 1 1 13 37 6  o 719.2563 18.33817 5237.360   263.7968 5237.360   263.7968 ?          ?        719.2563 18.33817 ?        ?        ?         ?        
1 1 1 13 37 7  o 36.79228 15.33131 2.836525   18.72106 2.836525   18.72106 ?          ?        36.79228 15.33131 ?        ?        ?         ?        
1 1 1 13 37 8  o 264.0630 7.304456 698.9197   38.57674 698.9197   38.57674 ?          ?        264.0630 7.304456 ?        ?        ?         ?        
1 1 1 13 37 9  o 365.7766 9.073119 1344.513   66.37468 1344.513   66.37468 ?          ?        365.7766 9.073119 ?        ?        ?         ?        
1 1 1 13 37 10 f 275.9454 7.606681 764.7272   41.98057 764.7272   41.98057 ?          ?        275.9454 7.606681 ?        ?        ?         ?        
1 1 1 13 37 11 o 349.8600 8.594055 1235.023   60.13433 1235.023   60.13433 ?          ?        349.8600 8.594055 ?        ?        ?         ?        
1 1 1 13 37 12 o 36.59930 15.29620 3.403830   18.72106 3.403830   18.72106 ?          ?        36.59930 15.29620 ?        ?        ?         ?        
1 1 1 13 37 13 o 33.57714 14.33098 0.5673050  17.01915 0.5673050  17.01915 ?          ?        33.57714 14.33098 ?        ?        ?         ?        
1 1 1 13 37 14 f 342.8873 9.182442 1202.119   62.97085 1202.119   62.97085 ?          ?        342.8873 9.182442 ?        ?        ?         ?        
1 1 1 13 37 15 o 159.1625 6.772197 256.9891   21.55759 256.9891   21.55759 ?          ?        159.1625 6.772197 ?        ?        ?         ?        
1 1 1 13 38 0  o 366.6118 12.48854 1351.888   91.33610 1351.888   91.33610 1351.888   91.33610 366.6118 12.48854 366.6118 12.48854 -0.000000 0.000000 
1 1 1 13 38 1  o 427.1996 9.627728 1830.126   82.25922 1830.126   82.25922 ?          ?        427.1996 9.627728 ?        ?        ?         ?        
1 1 1 13 38 2  o 497.3976 11.06330 2483.094   110.0572 2483.094   110.0572 ?          ?        497.3976 11.06330 ?        ?        ?         ?        
1 1 1 13 38 3  o 217.6155 7.038668 474.2669   30.63447 474.2669   30.63447 ?          ?        217.6155 7.038668 ?        ?        ?         ?        
1 1 1 13 38 4  o 366.2232 8.674787 1344.513   63.53815 1344.513   63.53815 ?          ?        366.2232 8.674787 ?        ?        ?         ?        
1 1 1 13 38 5  o 207.0619 6.575484 429.4498   27.23064 429.4498   27.23064 ?          ?        207.0619 6.575484 ?        ?        ?         ?        
1 1 1 13 38 6  o 220.2677 7.597799 486.1804   33.47099 486.1804   33.47099 ?          ?        220.2677 7.597799 ?        ?        ?         ?        
1 1 1 13 38 7  o 566.5239 14.82040 3241.581   167.9223 3241.581   167.9223 ?          ?        566.5239 14.82040 ?        ?        ?         ?        
1 1 1 13 38 8  o 157.1523 8.663774 247.9123   27.23064 247.9123   27.23064 ?          ?        157.1523 8.663774 ?        ?        ?         ?        
1 1 1 13 38 9  o 267.2687 7.429105 717.0735   39.71135 717.0735   39.71135 ?          ?        267.2687 7.429105 ?        ?        ?         ?        
1 1 1 13 38 10 o 240.2454 7.084067 579.7856   34.03830 579.7856   34.03830 ?          ?        240.2454 7.084067 ?        ?        ?         ?        
1 1 1 13 38 11 o 159.4163 8.540735 256.4218   27.23064 256.4218   27.23064 ?          ?        159.4163 8.540735 ?        ?        ?         ?        
1 1 1 13 38 12 o 161.1633 6.688122 261.5276   21.55759 261.5276   21.55759 ?          ?        161.1633 6.688122 ?        ?        ?         ?        
1 1 1 13 38 13 f 203.1658 6.701579 416.4019   27.23064 416.4019   27.23064 ?          ?        203.1658 6.701579 ?        ?        ?         ?        
1 1 1 13 38 14 o 218.1211 7.412484 482.2092   32.33638 482.2092   32.33638 ?          ?        218.1211 7.412484 ?        ?        ?         ?        
1 1 1 13 38 15 o 90.75780 9.063599 84.52843   16.45185 84.52843   16.45185 ?          ?        90.75780 9.063599 ?        ?        ?         ?        
1 1 1 13 39 0  o 36.87075 22.39030 13.61532   30.06716 13.61532   30.06716 13.61532   30.06716 36.87075 22.39030 36.87075 22.39030 -0.000000 0.000000 
1 1 1 13 39 1  o 421.1423 9.631497 1778.501   81.12460 1778.501   81.12460 ?          ?        421.1423 9.631497 ?        ?        ?         ?        
1 1 1 13 39 2  o 248.6014 6.960057 618.9297   34.60560 618.9297   34.60560 ?          ?        248.6014 6.960057 ?        ?        ?         ?        
1 1 1 13 39 3  o 140.5678 7.869828 197.9895   22.12490 197.9895   22.12490 ?          ?        140.5678 7.869828 ?        ?        ?         ?        
1 1 1 13 39 4  o 270.6790 7.230715 734.0926   39.14404 734.0926   39.14404 ?          ?        270.6790 7.230715 ?        ?        ?         ?        
1 1 1 13 39 5  o 610.6907 15.83870 3763.501   193.4510 3763.501   193.4510 ?          ?        610.6907 15.83870 ?        ?        ?         ?        
1 1 1 13 39 6  o 189.7545 7.324712 360.8060   27.79794 360.8060   27.79794 ?          ?        189.7545 7.324712 ?        ?        ?         ?        
1 1 1 13 39 7  o 327.4668 8.228922 1075.610   53.89397 1075.610   53.89397 ?          ?        327.4668 8.228922 ?        ?        ?         ?        
1 1 1 13 39 8  o 193.4044 6.746494 374.9886   26.09603 374.9886   26.09603 ?          ?        193.4044 6.746494 ?        ?        ?         ?        
1 1 1 13 39 9  o 478.6485 11.02257 2310.066   105.5187 2310.066   105.5187 ?          ?        478.6485 11.02257 ?        ?        ?         ?        
1 1 1 13 39 10 o 212.6023 6.804384 453.8440   28.93255 453.8440   28.93255 ?          ?        212.6023 6.804384 ?        ?        ?         ?        
1 1 1 13 39 11 o 56.76233 16.50585 34.03830   19.85567 34.03830   19.85567 ?          ?        56.76233 16.50585 ?        ?        ?         ?        
1 1 1 13 39 12 o 75.11350 12.46185 57.86510   18.72106 57.86510   18.72106 ?          ?        75.11350 12.46185 ?        ?        ?         ?        
1 1 1 13 39 13 o 71.65099 13.55735 55.02858   18.72106 55.02858   18.72106 ?          ?        71.65099 13.55735 ?        ?        ?         ?        
1 1 1 13 39 14 o 149.4975 6.830543 226.3547   20.42298 226.3547   20.42298 ?          ?        149.4975 6.830543 ?        ?        ?         ?        
1 1 1 13 39 15 o 107.0429 8.744653 117.4321   18.72106 117.4321   18.72106 ?          ?        107.0429 8.744653 ?        ?        ?         ?        
1 1 1 13 40 0  o 103.7593 11.45128 111.7591   23.25950 111.7591   23.25950 111.7591   23.25950 103.7593 11.45128 103.7593 11.45128 -0.000000 0.000000 
1 1 1 13 40 1  o 388.3996 9.055857 1512.435   70.34581 1512.435   70.34581 ?          ?        388.3996 9.055857 ?        ?        ?         ?        
1 1 1 13 40 2  o 81.94073 12.80821 67.50929   20.99029 67.50929   20.99029 ?          ?        81.94073 12.80821 ?        ?        ?         ?        
1 1 1 13 40 3  o 500.1448 11.28610 2513.161   112.8937 2513.161   112.8937 ?          ?        500.1448 11.28610 ?        ?        ?         ?        
1 1 1 13 40 4  o 671.8406 17.18362 4563.401   230.8931 4563.401   230.8931 ?          ?        671.8406 17.18362 ?        ?        ?         ?        
1 1 1 13 40 5  o 157.2822 7.754886 247.9123   24.39412 247.9123   24.39412 ?          ?        157.2822 7.754886 ?        ?        ?         ?        
1 1 1 13 40 6  o 359.3516 8.682798 1295.725   62.40355 1295.725   62.40355 ?          ?        359.3516 8.682798 ?        ?        ?         ?        
1 1 1 13 40 7  o 344.9781 8.551228 1194.177   58.99971 1194.177   58.99971 ?          ?        344.9781 8.551228 ?        ?        ?         ?        
1 1 1 13 40 8  o 141.6405 7.810226 201.3933   22.12490 201.3933   22.12490 ?          ?        141.6405 7.810226 ?        ?        ?         ?        
1 1 1 13 40 9  o 340.6618 9.075899 1167.514   61.83624 1167.514   61.83624 ?          ?        340.6618 9.075899 ?        ?        ?         ?        
1 1 1 13 40 10 o 206.8434 6.719563 430.0172   27.79794 430.0172   27.79794 ?          ?        206.8434 6.719563 ?        ?        ?         ?        
1 1 1 13 40 11 o 196.0268 6.945643 386.9020   27.23064 386.9020   27.23064 ?          ?        196.0268 6.945643 ?        ?        ?         ?        
1 1 1 13 40 12 o 77.13623 11.03188 60.70163   17.01915 60.70163   17.01915 ?          ?        77.13623 11.03188 ?        ?        ?         ?        
1 1 1 13 40 13 o 133.9996 6.985491 181.5376   18.72106 181.5376   18.72106 ?          ?        133.9996 6.985491 ?        ?        ?         ?        
1 1 1 13 40 14 o 78.27045 11.59682 63.53815   18.15376 63.53815   18.15376 ?          ?        78.27045 11.59682 ?        ?        ?         ?        
1 1 1 13 40 15 o 106.9217 7.958700 116.8648   17.01915 116.8648   17.01915 ?          ?        106.9217 7.958700 ?        ?        ?         ?        
1 1 1 13 41 0  o 275.2387 10.64953 762.4578   58.43241 762.4578   58.43241 762.4578   58.43241 275.2387 10.64953 275.2387 10.64953 -0.000000 0.000000 
1 1 1 13 41 1  o 380.3133 9.024652 1450.599   68.64390 1450.599   68.64390 ?          ?        380.3133 9.024652 ?        ?        ?         ?        
1 1 1 13 41 2  f 313.7288 7.865955 986.5433   49.35553 986.5433   49.35553 ?          ?        313.7288 7.865955 ?        ?        ?         ?        
1 1 1 13 41 3  o 384.2850 9.005193 1481.233   69.21120 1481.233   69.21120 ?          ?        384.2850 9.005193 ?        ?        ?         ?        
1 1 1 13 41 4  o 452.7644 11.96596 2060.452   108.3553 2060.452   108.3553 ?          ?        452.7644 11.96596 ?        ?        ?         ?        
1 1 1 13 41 5  o 426.8266 10.69944 1830.126   91.33610 1830.126   91.33610 ?          ?        426.8266 10.69944 ?        ?        ?         ?        
1 1 1 13 41 6  o 269.8789 7.357255 730.1215   39.71135 730.1215   39.71135 ?          ?        269.8789 7.357255 ?        ?        ?         ?        
1 1 1 13 41 7  o 78.33089 11.94999 61.83624   18.72106 61.83624   18.72106 ?          ?        78.33089 11.94999 ?        ?        ?         ?        
1 1 1 13 41 8  o 173.7533 7.019756 302.9409   24.39412 302.9409   24.39412 ?          ?        173.7533 7.019756 ?        ?        ?         ?        
1 1 1 13 41 9  o 103.4166 9.325566 107.7879   19.28837 107.7879   19.28837 ?          ?        103.4166 9.325566 ?        ?        ?         ?        
1 1 1 13 41 10 o 108.2561 9.694736 118.5667   20.99029 118.5667   20.99029 ?          ?        108.2561 9.694736 ?        ?        ?         ?        
1 1 1 13 41 11 f 91.45448 10.85550 85.09574   19.85567 85.09574   19.85567 ?          ?        91.45448 10.85550 ?        ?        ?         ?        
1 1 1 13 41 12 o 131.1038 7.572502 173.5953   19.85567 173.5953   19.85567 ?          ?        131.1038 7.572502 ?        ?        ?         ?        
1 1 1 13 41 13 o 203.8646 6.956884 420.9402   28.36525 420.9402   28.36525 ?          ?        203.8646 6.956884 ?        ?        ?         ?        
1 1 1 13 41 14 o 113.4573 7.750251 131.0475   17.58645 131.0475   17.58645 ?          ?        113.4573 7.750251 ?        ?        ?         ?        
1 1 1 13 41 15 o 91.10135 9.652136 85.66305   17.58645 85.66305   17.58645 ?          ?        91.10135 9.652136 ?        ?        ?         ?        
1 1 1 13 42 0  o 116.9872 14.42356 143.5282   32.90369 143.5282   32.90369 143.5282   32.90369 116.9872 14.42356 116.9872 14.42356 -0.000000 0.000000 
1 1 1 13 42 1  o 741.2784 17.41072 5557.887   258.1238 5557.887   258.1238 ?          ?        741.2784 17.41072 ?        ?        ?         ?        
1 1 1 13 42 2  o 267.1091 7.114964 714.8043   38.00943 714.8043   38.00943 ?          ?        267.1091 7.114964 ?        ?        ?         ?        
1 1 1 13 42 3  o 286.8001 7.714395 824.2941   44.24979 824.2941   44.24979 ?          ?        286.8001 7.714395 ?        ?        ?         ?        
1 1 1 13 42 4  f 239.1323 7.235660 572.9780   34.60560 572.9780   34.60560 ?          ?        239.1323 7.235660 ?        ?        ?         ?        
1 1 1 13 42 5  o 556.8796 12.58120 3124.148   140.1243 3124.148   140.1243 ?          ?        556.8796 12.58120 ?        ?        ?         ?        
1 1 1 13 42 6  o 408.7348 9.715676 1678.088   79.42269 1678.088   79.42269 ?          ?        408.7348 9.715676 ?        ?        ?         ?        
1 1 1 13 42 7  o 106.4595 10.12478 114.0283   21.55759 114.0283   21.55759 ?          ?        106.4595 10.12478 ?        ?        ?         ?        
1 1 1 13 42 8  o 135.2657 8.178312 183.8068   22.12490 183.8068   22.12490 ?          ?        135.2657 8.178312 ?        ?        ?         ?        
1 1 1 13 42 9  o 54.40877 17.23308 30.06716   20.99029 30.06716   20.99029 ?          ?        54.40877 17.23308 ?        ?        ?         ?        
1 1 1 13 42 10 o 200.2707 6.798457 403.3539   27.23064 403.3539   27.23064 ?          ?        200.2707 6.798457 ?        ?        ?         ?        
1 1 1 13 42 11 o 171.5868 6.943078 296.7005   23.82681 296.7005   23.82681 ?          ?        171.5868 6.943078 ?        ?        ?         ?        
1 1 1 13 42 12 o 336.8825 8.419923 1151.062   56.73050 1151.062   56.73050 ?          ?        336.8825 8.419923 ?        ?        ?         ?        
1 1 1 13 42 13 o 152.3620 6.888293 234.8643   20.99029 234.8643   20.99029 ?          ?        152.3620 6.888293 ?        ?        ?         ?        
1 1 1 13 42 14 o 95.67640 9.487062 94.17262   18.15376 94.17262   18.15376 ?          ?        95.67640 9.487062 ?        ?        ?         ?        
1 1 1 13 43 0  o 315.1691 11.46311 999.5914   72.04772 999.5914   72.04772 999.5914   72.04772 315.1691 11.46311 315.1691 11.46311 -0.000000 0.000000 
1 1 1 13 43 1  o 161.1776 8.095427 260.3930   26.09603 260.3930   26.09603 ?          ?        161.1776 8.095427 ?        ?        ?         ?        
1 1 1 13 43 2  o 276.3693 7.389741 765.2943   40.84595 765.2943   40.84595 ?          ?        276.3693 7.389741 ?        ?        ?         ?        
1 1 1 13 43 3  o 438.3732 10.28821 1929.404   90.20149 1929.404   90.20149 ?          ?        438.3732 10.28821 ?        ?        ?         ?        
1 1 1 13 43 4  o 318.6484 8.011564 1018.312   51.05745 1018.312   51.05745 ?          ?        318.6484 8.011564 ?        ?        ?         ?        
1 1 1 13 43 5  o 477.3409 11.82527 2292.479   112.8937 2292.479   112.8937 ?          ?        477.3409 11.82527 ?        ?        ?         ?        
1 1 1 13 43 6  o 95.27071 10.71839 91.33610   20.42298 91.33610   20.42298 ?          ?        95.27071 10.71839 ?        ?        ?         ?        
1 1 1 13 43 7  o 102.4187 12.73987 106.0860   26.09603 106.0860   26.09603 ?          ?        102.4187 12.73987 ?        ?        ?         ?        
1 1 1 13 43 8  o 94.31706 9.623794 89.63419   18.15376 89.63419   18.15376 ?          ?        94.31706 9.623794 ?        ?        ?         ?        
1 1 1 13 43 9  o 247.7546 6.869359 617.2278   34.03830 617.2278   34.03830 ?          ?        247.7546 6.869359 ?        ?        ?         ?        
1 1 1 13 43 10 o 120.1416 8.499547 145.7974   20.42298 145.7974   20.42298 ?          ?        120.1416 8.499547 ?        ?        ?         ?        
1 1 1 13 43 11 o 45.25624 17.71276 14.18262   23.25950 14.18262   23.25950 ?          ?        45.25624 17.71276 ?        ?        ?         ?        
1 1 1 13 43 12 o 220.2693 7.082642 490.7188   31.20177 490.7188   31.20177 ?          ?        220.2693 7.082642 ?        ?        ?         ?        
1 1 1 13 43 13 o 290.5218 8.201384 859.4670   47.65361 859.4670   47.65361 ?          ?        290.5218 8.201384 ?        ?        ?         ?        
1 1 1 13 43 14 o 36.41257 15.26170 4.538440   18.72106 4.538440   18.72106 ?          ?        36.41257 15.26170 ?        ?        ?         ?        
1 1 1 13 44 0  o 664.6042 21.13083 4466.392   280.2487 4466.392   280.2487 4466.392   280.2487 664.6042 21.13083 664.6042 21.13083 -0.000000 0.000000 
1 1 1 13 44 1  o 40.84313 16.39538 7.942269   20.42298 7.942269   20.42298 ?          ?        40.84313 16.39538 ?        ?        ?         ?        
1 1 1 13 44 2  o 227.3503 7.236343 517.9495   32.90369 517.9495   32.90369 ?          ?        227.3503 7.236343 ?        ?        ?         ?        
1 1 1 13 44 3  o 638.7431 14.16612 4116.932   180.9703 4116.932   180.9703 ?          ?        638.7431 14.16612 ?        ?        ?         ?        
1 1 1 13 44 4  o 355.8790 8.687819 1270.763   61.83624 1270.763   61.83624 ?          ?        355.8790 8.687819 ?        ?        ?         ?        
1 1 1 13 44 5  o 312.7614 7.980979 981.4376   49.92284 981.4376   49.92284 ?          ?        312.7614 7.980979 ?        ?        ?         ?        
1 1 1 13 44 6  o 153.5104 7.945426 236.5662   24.39412 236.5662   24.39412 ?          ?        153.5104 7.945426 ?        ?        ?         ?        
1 1 1 13 44 7  o 273.9614 8.800679 754.5156   48.22092 754.5156   48.22092 ?          ?        273.9614 8.800679 ?        ?        ?         ?        
1 1 1 13 44 8  o 223.3152 7.113059 500.9303   31.76908 500.9303   31.76908 ?          ?        223.3152 7.113059 ?        ?        ?         ?        
1 1 1 13 44 9  o 145.1413 7.621847 212.1721   22.12490 212.1721   22.12490 ?          ?        145.1413 7.621847 ?        ?        ?         ?        
1 1 1 13 44 10 o 34.20795 14.82365 -1.701915  18.72106 -1.701915  18.72106 ?          ?        34.20795 14.82365 ?        ?        ?         ?        
1 1 1 13 44 11 o 87.58616 11.01108 78.28809   19.28837 78.28809   19.28837 ?          ?        87.58616 11.01108 ?        ?        ?         ?        
1 1 1 13 44 12 o 144.7194 7.448064 212.1721   21.55759 212.1721   21.55759 ?          ?        144.7194 7.448064 ?        ?        ?         ?        
1 1 1 13 44 13 o 264.7243 8.679162 715.3715   45.95170 715.3715   45.95170 ?          ?        264.7243 8.679162 ?        ?        ?         ?        
1 1 1 13 44 14 o 30.25289 13.56368 -5.673049  17.01915 -5.673049  17.01915 ?          ?        30.25289 13.56368 ?        ?        ?         ?        
1 1 1 13 45 0  o 170.8457 11.56359 296.7005   39.14404 296.7005   39.14404 296.7005   39.14404 170.8457 11.56359 170.8457 11.56359 -0.000000 0.000000 
1 1 1 13 45 1  o 193.0536 8.374975 373.8540   32.33638 373.8540   32.33638 ?          ?        193.0536 8.374975 ?        ?        ?         ?        
1 1 1 13 45 2  o 80.06738 15.42984 66.94199   23.82681 66.94199   23.82681 ?          ?        80.06738 15.42984 ?        ?        ?         ?        
1 1 1 13 45 3  o 109.3788 10.89188 120.2687   23.82681 120.2687   23.82681 ?          ?        109.3788 10.89188 ?        ?        ?         ?        
1 1 1 13 45 4  o 143.4350 8.701298 206.4990   24.96142 206.4990   24.96142 ?          ?        143.4350 8.701298 ?        ?        ?         ?        
1 1 1 13 45 5  o 131.2396 9.077601 173.0280   23.82681 173.0280   23.82681 ?          ?        131.2396 9.077601 ?        ?        ?         ?        
1 1 1 13 45 6  o 377.1619 9.100058 1430.743   68.64390 1430.743   68.64390 ?          ?        377.1619 9.100058 ?        ?        ?         ?        
1 1 1 13 45 7  o 184.3851 7.538013 341.5176   27.79794 341.5176   27.79794 ?          ?        184.3851 7.538013 ?        ?        ?         ?        
1 1 1 13 45 8  f 175.5369 7.110019 309.7485   24.96142 309.7485   24.96142 ?          ?        175.5369 7.110019 ?        ?        ?         ?        
1 1 1 13 45 9  o 126.1308 8.545726 160.5473   21.55759 160.5473   21.55759 ?          ?        126.1308 8.545726 ?        ?        ?         ?        
1 1 1 13 45 10 o 416.7652 10.00489 1764.886   83.39383 1764.886   83.39383 ?          ?        416.7652 10.00489 ?        ?        ?         ?        
1 1 1 13 45 11 o 69.39619 15.51634 52.19205   20.99029 52.19205   20.99029 ?          ?        69.39619 15.51634 ?        ?        ?         ?        
1 1 1 13 45 12 o 80.47490 12.68904 67.50929   20.42298 67.50929   20.42298 ?          ?        80.47490 12.68904 ?        ?        ?         ?        
1 1 1 13 45 13 o 238.6834 7.843471 580.3530   37.44213 580.3530   37.44213 ?          ?        238.6834 7.843471 ?        ?        ?         ?        
1 1 1 13 45 14 o 204.3348 7.912597 426.6133   32.33638 426.6133   32.33638 ?          ?        204.3348 7.912597 ?        ?        ?         ?        
1 1 1 13 46 0  o 301.7845 11.40850 917.3322   68.64390 917.3322   68.64390 917.3322   68.64390 301.7845 11.40850 301.7845 11.40850 -0.000000 0.000000 
1 1 1 13 46 1  o 531.5928 11.89905 2843.900   126.5090 2843.900   126.5090 ?          ?        531.5928 11.89905 ?        ?        ?         ?        
1 1 1 13 46 2  o 212.4717 8.010077 452.7094   34.03830 452.7094   34.03830 ?          ?        212.4717 8.010077 ?        ?        ?         ?        
1 1 1 13 46 3  o 276.7574 7.584362 768.1308   41.98057 768.1308   41.98057 ?          ?        276.7574 7.584362 ?        ?        ?         ?        
1 1 1 13 46 4  o 296.9885 7.831787 884.9957   46.51900 884.9957   46.51900 ?          ?        296.9885 7.831787 ?        ?        ?         ?        
1 1 1 13 46 5  o 140.1789 8.296366 197.4221   23.25950 197.4221   23.25950 ?          ?        140.1789 8.296366 ?        ?        ?         ?        
1 1 1 13 46 6  o 428.5202 10.19380 1849.414   87.36497 1849.414   87.36497 ?          ?        428.5202 10.19380 ?        ?        ?         ?        
1 1 1 13 46 7  o 134.9634 8.196627 183.2395   22.12490 183.2395   22.12490 ?          ?        134.9634 8.196627 ?        ?        ?         ?        
1 1 1 13 46 8  o 111.7941 9.895374 126.5090   22.12490 126.5090   22.12490 ?          ?        111.7941 9.895374 ?        ?        ?         ?        
1 1 1 13 46 9  o 75.99918 14.33387 61.26894   20.99029 61.26894   20.99029 ?          ?        75.99918 14.33387 ?        ?        ?         ?        
1 1 1 13 46 10 o 221.2077 7.693741 494.1226   34.03830 494.1226   34.03830 ?          ?        221.2077 7.693741 ?        ?        ?         ?        
1 1 1 13 46 11 o 151.0770 7.885648 231.4604   23.82681 231.4604   23.82681 ?          ?        151.0770 7.885648 ?        ?        ?         ?        
1 1 1 13 46 12 o 38.75363 15.63892 8.509575   18.72106 8.509575   18.72106 ?          ?        38.75363 15.63892 ?        ?        ?         ?        
1 1 1 13 46 13 o 98.71082 9.770141 100.4130   19.28837 100.4130   19.28837 ?          ?        98.71082 9.770141 ?        ?        ?         ?        
1 1 1 13 47 0  o 778.9520 24.45079 6170.576   380.0943 6170.576   380.0943 6170.576   380.0943 778.9520 24.45079 778.9520 24.45079 -0.000000 0.000000 
1 1 1 13 47 1  o 134.8491 9.676009 182.6722   26.09603 182.6722   26.09603 ?          ?        134.8491 9.676009 ?        ?        ?         ?        
1 1 1 13 47 2  o 128.4258 9.055618 165.6530   23.25950 165.6530   23.25950 ?          ?        128.4258 9.055618 ?        ?        ?         ?        
1 1 1 13 47 3  o 108.0703 9.973869 117.4321   21.55759 117.4321   21.55759 ?          ?        108.0703 9.973869 ?        ?        ?         ?        
1 1 1 13 47 4  o 76.57381 14.23811 61.26894   20.99029 61.26894   20.99029 ?          ?        76.57381 14.23811 ?        ?        ?         ?        
1 1 1 13 47 5  o 179.6568 7.262746 323.9312   26.09603 323.9312   26.09603 ?          ?        179.6568 7.262746 ?        ?        ?         ?        
1 1 1 13 47 6  o 448.7202 10.55668 2032.654   94.73994 2032.654   94.73994 ?          ?        448.7202 10.55668 ?        ?        ?         ?        
1 1 1 13 47 7  o 196.8926 7.203227 389.7385   28.36525 389.7385   28.36525 ?          ?        196.8926 7.203227 ?        ?        ?         ?        
1 1 1 13 47 8  o 103.8192 9.289406 108.9226   19.28837 108.9226   19.28837 ?          ?        103.8192 9.289406 ?        ?        ?         ?        
1 1 1 13 47 9  f 177.6420 7.504795 318.2581   26.66333 318.2581   26.66333 ?          ?        177.6420 7.504795 ?        ?        ?         ?        
1 1 1 13 47 10 o 203.2856 7.255767 416.9691   29.49986 416.9691   29.49986 ?          ?        203.2856 7.255767 ?        ?        ?         ?        
1 1 1 13 47 11 o 81.04263 12.60015 68.07660   20.42298 68.07660   20.42298 ?          ?        81.04263 12.60015 ?        ?        ?         ?        
1 1 1 13 47 12 o 165.7115 7.189245 278.5467   23.82681 278.5467   23.82681 ?          ?        165.7115 7.189245 ?        ?        ?         ?        
1 1 1 13 47 13 o 120.3976 10.13065 149.7685   24.39412 149.7685   24.39412 ?          ?        120.3976 10.13065 ?        ?        ?         ?        
1 1 1 13 48 0  o 190.7881 10.92813 368.7482   41.41326 368.7482   41.41326 368.7482   41.41326 190.7881 10.92813 190.7881 10.92813 -0.000000 0.000000 
1 1 1 13 48 1  o 187.2609 7.422251 351.7291   27.79794 351.7291   27.79794 ?          ?        187.2609 7.422251 ?        ?        ?         ?        
1 1 1 13 48 2  o 305.1808 8.179223 934.9186   49.92284 934.9186   49.92284 ?          ?        305.1808 8.179223 ?        ?        ?         ?        
1 1 1 13 48 3  o 260.8012 7.939623 683.0352   41.41326 683.0352   41.41326 ?          ?        260.8012 7.939623 ?        ?        ?         ?        
1 1 1 13 48 4  o 373.1290 9.046374 1400.109   67.50929 1400.109   67.50929 ?          ?        373.1290 9.046374 ?        ?        ?         ?        
1 1 1 13 48 5  o 145.4157 8.972903 212.7394   26.09603 212.7394   26.09603 ?          ?        145.4157 8.972903 ?        ?        ?         ?        
1 1 1 13 48 6  o 353.2381 8.672472 1256.013   61.26894 1256.013   61.26894 ?          ?        353.2381 8.672472 ?        ?        ?         ?        
1 1 1 13 48 7  o 260.7007 8.160290 685.3044   42.54787 685.3044   42.54787 ?          ?        260.7007 8.160290 ?        ?        ?         ?        
1 1 1 13 48 8  o 97.31768 11.36736 96.44185   22.12490 96.44185   22.12490 ?          ?        97.31768 11.36736 ?        ?        ?         ?        
1 1 1 13 48 9  o 169.1944 8.047147 289.3255   27.23064 289.3255   27.23064 ?          ?        169.1944 8.047147 ?        ?        ?         ?        
1 1 1 13 48 10 o 49.84209 16.31200 25.52872   18.72106 25.52872   18.72106 ?          ?        49.84209 16.31200 ?        ?        ?         ?        
1 1 1 13 48 11 o 104.9421 9.730596 112.8937   20.42298 112.8937   20.42298 ?          ?        104.9421 9.730596 ?        ?        ?         ?        
1 1 1 13 48 12 o 72.19669 13.05089 56.16319   18.15376 56.16319   18.15376 ?          ?        72.19669 13.05089 ?        ?        ?         ?        
1 1 1 13 48 13 o 130.6292 8.251441 174.7299   21.55759 174.7299   21.55759 ?          ?        130.6292 8.251441 ?        ?        ?         ?        
1 1 1 13 49 0  o 328.5893 11.77313 1088.658   77.15348 1088.658   77.15348 1088.658   77.15348 328.5893 11.77313 328.5893 11.77313 -0.000000 0.000000 
1 1 1 13 49 1  o 145.3056 8.589286 212.1721   24.96142 212.1721   24.96142 ?          ?        145.3056 8.589286 ?        ?        ?         ?        
1 1 1 13 49 2  o 242.4395 7.370956 589.9972   35.74022 589.9972   35.74022 ?          ?        242.4395 7.370956 ?        ?        ?         ?        
1 1 1 13 49 3  o 382.3564 9.198983 1470.454   70.34581 1470.454   70.34581 ?          ?        382.3564 9.198983 ?        ?        ?         ?        
1 1 1 13 49 4  o 127.3991 9.573896 163.3838   24.39412 163.3838   24.39412 ?          ?        127.3991 9.573896 ?        ?        ?         ?        
1 1 1 13 49 5  o 324.3985 8.131875 1058.591   52.75936 1058.591   52.75936 ?          ?        324.3985 8.131875 ?        ?        ?         ?        
1 1 1 13 49 6  o 264.7466 7.714161 705.7274   40.84595 705.7274   40.84595 ?          ?        264.7466 7.714161 ?        ?        ?         ?        
1 1 1 13 49 7  o 118.8351 10.02516 142.9609   23.82681 142.9609   23.82681 ?          ?        118.8351 10.02516 ?        ?        ?         ?        
1 1 1 13 49 8  o 104.3526 10.32920 110.6245   21.55759 110.6245   21.55759 ?          ?        104.3526 10.32920 ?        ?        ?         ?        
1 1 1 13 49 9  o 95.60036 10.38473 93.03801   19.85567 93.03801   19.85567 ?          ?        95.60036 10.38473 ?        ?        ?         ?        
1 1 1 13 49 10 o 101.2902 11.20158 105.5187   22.69220 105.5187   22.69220 ?          ?        101.2902 11.20158 ?        ?        ?         ?        
1 1 1 13 49 11 o 168.0917 7.424940 286.4890   24.96142 286.4890   24.96142 ?          ?        168.0917 7.424940 ?        ?        ?         ?        
1 1 1 13 49 12 o 65.95520 14.96280 48.22092   19.28837 48.22092   19.28837 ?          ?        65.95520 14.96280 ?        ?        ?         ?        
1 1 1 13 50 0  o 30.16398 20.95042 -28.36525  41.41326 -28.36525  41.41326 -28.36525  41.41326 30.16398 20.95042 30.16398 20.95042 -0.000000 0.000000 
1 1 1 13 50 1  o 308.6849 7.994483 957.0435   49.35553 957.0435   49.35553 ?          ?        308.6849 7.994483 ?        ?        ?         ?        
1 1 1 13 50 2  o 96.46722 13.23181 94.17262   25.52872 94.17262   25.52872 ?          ?        96.46722 13.23181 ?        ?        ?         ?        
1 1 1 13 50 3  o 120.6890 10.81127 146.9320   26.09603 146.9320   26.09603 ?          ?        120.6890 10.81127 ?        ?        ?         ?        
1 1 1 13 50 4  o 336.7059 8.677070 1141.418   58.43241 1141.418   58.43241 ?          ?        336.7059 8.677070 ?        ?        ?         ?        
1 1 1 13 50 5  o 137.7017 9.063584 191.1818   24.96142 191.1818   24.96142 ?          ?        137.7017 9.063584 ?        ?        ?         ?        
1 1 1 13 50 6  o 354.8713 8.792420 1271.330   62.40355 1271.330   62.40355 ?          ?        354.8713 8.792420 ?        ?        ?         ?        
1 1 1 13 50 7  o 182.1278 7.942928 334.7099   28.93255 334.7099   28.93255 ?          ?        182.1278 7.942928 ?        ?        ?         ?        
1 1 1 13 50 8  o 117.0388 9.451948 138.9897   22.12490 138.9897   22.12490 ?          ?        117.0388 9.451948 ?        ?        ?         ?        
1 1 1 13 50 9  o 222.7042 7.387307 500.9303   32.90369 500.9303   32.90369 ?          ?        222.7042 7.387307 ?        ?        ?         ?        
1 1 1 13 50 10 o 40.20416 16.15477 9.644185   19.85567 9.644185   19.85567 ?          ?        40.20416 16.15477 ?        ?        ?         ?        
1 1 1 13 50 11 o 149.4490 7.591956 226.9220   22.69220 226.9220   22.69220 ?          ?        149.4490 7.591956 ?        ?        ?         ?        
1 1 1 13 50 12 o 108.6601 9.397644 121.4033   20.42298 121.4033   20.42298 ?          ?        108.6601 9.397644 ?        ?        ?         ?        
1 1 1 13 51 0  o 427.7567 14.29199 1849.414   121.9706 1849.414   121.9706 1849.414   121.9706 427.7567 14.29199 427.7567 14.29199 -0.000000 0.000000 
1 1 1 13 51 1  o 96.22282 12.08627 93.60532   23.25950 93.60532   23.25950 ?          ?        96.22282 12.08627 ?        ?        ?         ?        
1 1 1 13 51 2  o 182.7976 7.758648 335.8446   28.36525 335.8446   28.36525 ?          ?        182.7976 7.758648 ?        ?        ?         ?        
1 1 1 13 51 3  o 285.2370 8.751117 819.1884   49.92284 819.1884   49.92284 ?          ?        285.2370 8.751117 ?        ?        ?         ?        
1 1 1 13 51 4  o 274.0514 7.969759 755.6502   43.68248 755.6502   43.68248 ?          ?        274.0514 7.969759 ?        ?        ?         ?        
1 1 1 13 51 5  o 143.8129 8.678435 208.7682   24.96142 208.7682   24.96142 ?          ?        143.8129 8.678435 ?        ?        ?         ?        
1 1 1 13 51 6  o 165.5529 7.881476 276.2775   26.09603 276.2775   26.09603 ?          ?        165.5529 7.881476 ?        ?        ?         ?        
1 1 1 13 51 7  o 34.74853 15.16339 -2.836525  19.85567 -2.836525  19.85567 ?          ?        34.74853 15.16339 ?        ?        ?         ?        
1 1 1 13 51 8  o 83.39588 12.92485 71.48043   21.55759 71.48043   21.55759 ?          ?        83.39588 12.92485 ?        ?        ?         ?        
1 1 1 13 51 9  o 156.2552 7.624325 247.3450   23.82681 247.3450   23.82681 ?          ?        156.2552 7.624325 ?        ?        ?         ?        
1 1 1 13 51 10 o 79.84128 12.78974 66.37468   20.42298 66.37468   20.42298 ?          ?        79.84128 12.78974 ?        ?        ?         ?        
1 1 1 13 51 11 o 77.13849 14.13229 64.67276   20.99029 64.67276   20.99029 ?          ?        77.13849 14.13229 ?        ?        ?         ?        
1 1 1 13 51 12 o 163.7344 8.661972 275.1429   28.36525 275.1429   28.36525 ?          ?        163.7344 8.661972 ?        ?        ?         ?        
1 1 1 13 52 0  o 508.5955 16.77154 2627.757   170.1915 2627.757   170.1915 2627.757   170.1915 508.5955 16.77154 508.5955 16.77154 -0.000000 0.000000 
1 1 1 13 52 1  o 148.8483 8.384854 222.9509   24.96142 222.9509   24.96142 ?          ?        148.8483 8.384854 ?        ?        ?         ?        
1 1 1 13 52 2  o 301.2233 7.815848 912.2264   47.08631 912.2264   47.08631 ?          ?        301.2233 7.815848 ?        ?        ?         ?        
1 1 1 13 52 3  o 236.3929 7.679484 562.1992   36.30752 562.1992   36.30752 ?          ?        236.3929 7.679484 ?        ?        ?         ?        
1 1 1 13 52 4  o 294.9785 7.981311 877.0535   47.08631 877.0535   47.08631 ?          ?        294.9785 7.981311 ?        ?        ?         ?        
1 1 1 13 52 5  o 34.35598 15.99028 -22.69220  26.66333 -22.69220  26.66333 ?          ?        34.35598 15.99028 ?        ?        ?         ?        
1 1 1 13 52 6  f 274.5399 7.645621 760.1886   41.98057 760.1886   41.98057 ?          ?        274.5399 7.645621 ?        ?        ?         ?        
1 1 1 13 52 7  o 110.0850 9.791336 123.1052   21.55759 123.1052   21.55759 ?          ?        110.0850 9.791336 ?        ?        ?         ?        
1 1 1 13 52 8  o 85.31054 12.63477 74.88425   21.55759 74.88425   21.55759 ?          ?        85.31054 12.63477 ?        ?        ?         ?        
1 1 1 13 52 9  o 248.0112 7.434105 622.9009   36.87482 622.9009   36.87482 ?          ?        248.0112 7.434105 ?        ?        ?         ?        
1 1 1 13 52 10 o 38.76052 16.07345 6.240355   20.42298 6.240355   20.42298 ?          ?        38.76052 16.07345 ?        ?        ?         ?        
1 1 1 13 52 11 o 103.1218 10.45249 110.0572   21.55759 110.0572   21.55759 ?          ?        103.1218 10.45249 ?        ?        ?         ?        
1 1 1 13 52 12 o 96.63168 12.91575 98.71106   24.96142 98.71106   24.96142 ?          ?        96.63168 12.91575 ?        ?        ?         ?        
1 1 1 13 53 0  f 405.6354 13.81088 1666.742   111.7591 1666.742   111.7591 1666.742   111.7591 405.6354 13.81088 405.6354 13.81088 -0.000000 0.000000 
1 1 1 13 53 1  o 293.6729 8.209971 868.5439   48.22092 868.5439   48.22092 ?          ?        293.6729 8.209971 ?        ?        ?         ?        
1 1 1 13 53 2  o 232.6284 7.316023 544.6128   34.03830 544.6128   34.03830 ?          ?        232.6284 7.316023 ?        ?        ?         ?        
1 1 1 13 53 3  o 220.2706 7.340149 488.4496   32.33638 488.4496   32.33638 ?          ?        220.2706 7.340149 ?        ?        ?         ?        
1 1 1 13 53 4  o 124.8539 9.769063 157.7108   24.39412 157.7108   24.39412 ?          ?        124.8539 9.769063 ?        ?        ?         ?        
1 1 1 13 53 5  o 261.9597 7.687950 692.1121   40.27865 692.1121   40.27865 ?          ?        261.9597 7.687950 ?        ?        ?         ?        
1 1 1 13 53 6  o 43.07671 18.24659 3.403830   27.23064 3.403830   27.23064 ?          ?        43.07671 18.24659 ?        ?        ?         ?        
1 1 1 13 53 7  o 86.12424 12.18605 76.01886   20.99029 76.01886   20.99029 ?          ?        86.12424 12.18605 ?        ?        ?         ?        
1 1 1 13 53 8  o 144.9136 7.633824 212.7394   22.12490 212.7394   22.12490 ?          ?        144.9136 7.633824 ?        ?        ?         ?        
1 1 1 13 53 9  o 57.08266 17.34960 35.74022   21.55759 35.74022   21.55759 ?          ?        57.08266 17.34960 ?        ?        ?         ?        
1 1 1 13 53 10 o 125.2857 9.056181 160.5473   22.69220 160.5473   22.69220 ?          ?        125.2857 9.056181 ?        ?        ?         ?        
1 1 1 13 53 11 o 94.17816 11.44511 92.47070   21.55759 92.47070   21.55759 ?          ?        94.17816 11.44511 ?        ?        ?         ?        
1 1 1 13 54 0  o 23.55211 17.04531 -57.29780  37.44213 -57.29780  37.44213 -57.29780  37.44213 23.55211 17.04531 23.55211 17.04531 -0.000000 0.000000 
1 1 1 13 54 1  o 285.7338 8.140270 823.1595   46.51900 823.1595   46.51900 ?          ?        285.7338 8.140270 ?        ?        ?         ?        
1 1 1 13 54 2  o 30.15642 14.37846 -29.49986  23.82681 -29.49986  23.82681 ?          ?        30.15642 14.37846 ?        ?        ?         ?        
1 1 1 13 54 3  o 314.4806 8.207939 997.3221   51.62476 997.3221   51.62476 ?          ?        314.4806 8.207939 ?        ?        ?         ?        
1 1 1 13 54 4  o 120.6417 9.639908 147.4993   23.25950 147.4993   23.25950 ?          ?        120.6417 9.639908 ?        ?        ?         ?        
1 1 1 13 54 5  o 143.5698 8.100417 208.2009   23.25950 208.2009   23.25950 ?          ?        143.5698 8.100417 ?        ?        ?         ?        
1 1 1 13 54 6  o 164.0467 9.855844 273.4410   32.33638 273.4410   32.33638 ?          ?        164.0467 9.855844 ?        ?        ?         ?        
1 1 1 13 54 7  o 216.4627 7.600315 473.6996   32.90369 473.6996   32.90369 ?          ?        216.4627 7.600315 ?        ?        ?         ?        
1 1 1 13 54 8  o 80.21721 15.40086 69.77851   23.82681 69.77851   23.82681 ?          ?        80.21721 15.40086 ?        ?        ?         ?        
1 1 1 13 54 9  o 193.6073 7.325459 380.0943   28.36525 380.0943   28.36525 ?          ?        193.6073 7.325459 ?        ?        ?         ?        
1 1 1 13 54 10 o 74.80058 16.01196 62.40355   23.25950 62.40355   23.25950 ?          ?        74.80058 16.01196 ?        ?        ?         ?        
1 1 1 13 54 11 o 45.85477 16.68933 20.42298   19.85567 20.42298   19.85567 ?          ?        45.85477 16.68933 ?        ?        ?         ?        
1 1 1 13 55 0  o 471.0514 15.57331 2259.576   146.3647 2259.576   146.3647 2259.576   146.3647 471.0514 15.57331 471.0514 15.57331 -0.000000 0.000000 
1 1 1 13 55 1  f 176.5300 8.194798 314.2870   28.93255 314.2870   28.93255 ?          ?        176.5300 8.194798 ?        ?        ?         ?        
1 1 1 13 55 2  o 78.73414 14.95131 65.80738   22.69220 65.80738   22.69220 ?          ?        78.73414 14.95131 ?        ?        ?         ?        
1 1 1 13 55 3  o 408.0717 9.731464 1688.300   79.42269 1688.300   79.42269 ?          ?        408.0717 9.731464 ?        ?        ?         ?        
1 1 1 13 55 4  f 56.65960 18.62020 32.90369   24.39412 32.90369   24.39412 ?          ?        56.65960 18.62020 ?        ?        ?         ?        
1 1 1 13 55 5  o 165.0798 8.419545 275.7102   27.79794 275.7102   27.79794 ?          ?        165.0798 8.419545 ?        ?        ?         ?        
1 1 1 13 55 6  o 67.76615 16.46373 49.92284   22.12490 49.92284   22.12490 ?          ?        67.76615 16.46373 ?        ?        ?         ?        
1 1 1 13 55 7  o 51.62819 17.93321 26.66333   22.69220 26.66333   22.69220 ?          ?        51.62819 17.93321 ?        ?        ?         ?        
1 1 1 13 55 8  o 89.10076 11.77896 82.25922   20.99029 82.25922   20.99029 ?          ?        89.10076 11.77896 ?        ?        ?         ?        
1 1 1 13 55 9  o 219.0386 7.251935 486.7477   31.76908 486.7477   31.76908 ?          ?        219.0386 7.251935 ?        ?        ?         ?        
1 1 1 13 55 10 o 129.0978 8.788764 170.7588   22.69220 170.7588   22.69220 ?          ?        129.0978 8.788764 ?        ?        ?         ?        
1 1 1 13 56 0  o 305.8826 11.72174 949.1012   71.48043 949.1012   71.48043 949.1012   71.48043 305.8826 11.72174 305.8826 11.72174 -0.000000 0.000000 
1 1 1 13 56 1  o 50.63168 17.69604 24.39412   22.12490 24.39412   22.12490 ?          ?        50.63168 17.69604 ?        ?        ?         ?        
1 1 1 13 56 2  o 154.6091 8.622820 241.6719   26.66333 241.6719   26.66333 ?          ?        154.6091 8.622820 ?        ?        ?         ?        
1 1 1 13 56 3  o 160.6725 8.297417 260.9603   26.66333 260.9603   26.66333 ?          ?        160.6725 8.297417 ?        ?        ?         ?        
1 1 1 13 56 4  o 41.38500 16.88741 7.942269   22.12490 7.942269   22.12490 ?          ?        41.38500 16.88741 ?        ?        ?         ?        
1 1 1 13 56 5  o 143.7632 8.681433 209.3355   24.96142 209.3355   24.96142 ?          ?        143.7632 8.681433 ?        ?        ?         ?        
1 1 1 13 56 6  o 170.8913 7.469289 295.5659   25.52872 295.5659   25.52872 ?          ?        170.8913 7.469289 ?        ?        ?         ?        
1 1 1 13 56 7  o 232.3815 7.445862 547.4493   34.60560 547.4493   34.60560 ?          ?        232.3815 7.445862 ?        ?        ?         ?        
1 1 1 13 56 8  o 30.74167 14.39633 -19.28837  22.12490 -19.28837  22.12490 ?          ?        30.74167 14.39633 ?        ?        ?         ?        
1 1 1 13 56 9  o 105.0674 11.06885 114.5956   23.25950 114.5956   23.25950 ?          ?        105.0674 11.06885 ?        ?        ?         ?        
1 1 1 13 56 10 o 26.52964 12.83845 -31.20177  20.99029 -31.20177  20.99029 ?          ?        26.52964 12.83845 ?        ?        ?         ?        
1 1 1 13 57 0  o 156.3325 12.87011 252.4507   39.71135 252.4507   39.71135 252.4507   39.71135 156.3325 12.87011 156.3325 12.87011 -0.000000 0.000000 
1 1 1 13 57 1  o 236.7111 7.669161 565.6030   36.30752 565.6030   36.30752 ?          ?        236.7111 7.669161 ?        ?        ?         ?        
1 1 1 13 57 2  o 90.97302 13.09553 85.09574   23.82681 85.09574   23.82681 ?          ?        90.97302 13.09553 ?        ?        ?         ?        
1 1 1 13 57 3  o 99.70847 12.80168 102.1149   25.52872 102.1149   25.52872 ?          ?        99.70847 12.80168 ?        ?        ?         ?        
1 1 1 13 57 4  o 141.8175 8.600530 203.6625   24.39412 203.6625   24.39412 ?          ?        141.8175 8.600530 ?        ?        ?         ?        
1 1 1 13 57 5  o 107.4630 10.29419 117.9994   22.12490 117.9994   22.12490 ?          ?        107.4630 10.29419 ?        ?        ?         ?        
1 1 1 13 57 6  o 23.57269 11.74216 -55.02858  22.12490 -55.02858  22.12490 ?          ?        23.57269 11.74216 ?        ?        ?         ?        
1 1 1 13 57 7  o 91.66027 12.68789 87.36497   23.25950 87.36497   23.25950 ?          ?        91.66027 12.68789 ?        ?        ?         ?        
1 1 1 13 57 8  o 49.99448 17.25895 25.52872   20.99029 25.52872   20.99029 ?          ?        49.99448 17.25895 ?        ?        ?         ?        
1 1 1 13 57 9  o 28.67188 13.75633 -28.93255  22.69220 -28.93255  22.69220 ?          ?        28.67188 13.75633 ?        ?        ?         ?        
1 1 1 13 57 10 f 137.8912 9.256833 195.7202   25.52872 195.7202   25.52872 ?          ?        137.8912 9.256833 ?        ?        ?         ?        
1 1 1 13 58 0  o 27.95240 19.04974 -13.04801  31.20177 -13.04801  31.20177 -13.04801  31.20177 27.95240 19.04974 27.95240 19.04974 -0.000000 0.000000 
1 1 1 13 58 1  o 172.7246 8.375344 301.8062   28.93255 301.8062   28.93255 ?          ?        172.7246 8.375344 ?        ?        ?         ?        
1 1 1 13 58 2  o 49.70492 17.86604 22.69220   22.69220 22.69220   22.69220 ?          ?        49.70492 17.86604 ?        ?        ?         ?        
1 1 1 13 58 3  o 64.17628 16.97399 44.81709   22.12490 44.81709   22.12490 ?          ?        64.17628 16.97399 ?        ?        ?         ?        
1 1 1 13 58 4  o 174.1095 8.308722 307.4793   28.93255 307.4793   28.93255 ?          ?        174.1095 8.308722 ?        ?        ?         ?        
1 1 1 13 58 5  o 106.6915 10.90035 116.8648   23.25950 116.8648   23.25950 ?          ?        106.6915 10.90035 ?        ?        ?         ?        
1 1 1 13 58 6  o 185.8217 7.632383 350.5945   28.36525 350.5945   28.36525 ?          ?        185.8217 7.632383 ?        ?        ?         ?        
1 1 1 13 58 7  o 200.0585 7.656378 406.7577   30.63447 406.7577   30.63447 ?          ?        200.0585 7.656378 ?        ?        ?         ?        
1 1 1 13 58 8  o 38.47222 16.37751 3.403830   22.12490 3.403830   22.12490 ?          ?        38.47222 16.37751 ?        ?        ?         ?        
1 1 1 13 58 9  o 80.73757 13.35041 69.21120   21.55759 69.21120   21.55759 ?          ?        80.73757 13.35041 ?        ?        ?         ?        
1 1 1 13 59 0  o 245.0730 11.51283 611.5547   56.16319 611.5547   56.16319 611.5547   56.16319 245.0730 11.51283 245.0730 11.51283 -0.000000 0.000000 
1 1 1 13 59 1  o 141.1342 9.647071 202.5279   27.23064 202.5279   27.23064 ?          ?        141.1342 9.647071 ?        ?        ?         ?        
1 1 1 13 59 2  o 87.09380 14.33019 78.85539   24.96142 78.85539   24.96142 ?          ?        87.09380 14.33019 ?        ?        ?         ?        
1 1 1 13 59 3  o 92.55197 12.25917 88.49958   22.69220 88.49958   22.69220 ?          ?        92.55197 12.25917 ?        ?        ?         ?        
1 1 1 13 59 4  o 77.71249 15.87895 65.80738   23.82681 65.80738   23.82681 ?          ?        77.71249 15.87895 ?        ?        ?         ?        
1 1 1 13 59 5  o 263.5498 7.749190 705.7274   40.84595 705.7274   40.84595 ?          ?        263.5498 7.749190 ?        ?        ?         ?        
1 1 1 13 59 6  o 95.86423 11.83559 95.30723   22.69220 95.30723   22.69220 ?          ?        95.86423 11.83559 ?        ?        ?         ?        
1 1 1 13 59 7  o 54.05488 17.24453 31.76908   20.99029 31.76908   20.99029 ?          ?        54.05488 17.24453 ?        ?        ?         ?        
1 1 1 13 59 8  f 50.37566 17.68749 26.09603   22.12490 26.09603   22.12490 ?          ?        50.37566 17.68749 ?        ?        ?         ?        
1 1 1 13 59 9  o 120.9129 10.79125 152.0377   26.09603 152.0377   26.09603 ?          ?        120.9129 10.79125 ?        ?        ?         ?        
1 1 1 13 60 0  o 43.51432 24.57810 28.36525   32.33638 28.36525   32.33638 28.36525   32.33638 43.51432 24.57810 43.51432 24.57810 -0.000000 0.000000 
1 1 1 13 60 1  o 179.5541 8.688684 327.9023   31.20177 327.9023   31.20177 ?          ?        179.5541 8.688684 ?        ?        ?         ?        
1 1 1 13 60 2  o 134.1660 10.35954 184.3741   27.79794 184.3741   27.79794 ?          ?        134.1660 10.35954 ?        ?        ?         ?        
1 1 1 13 60 3  o 126.6942 9.627161 163.9511   24.39412 163.9511   24.39412 ?          ?        126.6942 9.627161 ?        ?        ?         ?        
1 1 1 13 60 4  o 61.02814 18.43723 41.41326   24.39412 41.41326   24.39412 ?          ?        61.02814 18.43723 ?        ?        ?         ?        
1 1 1 13 60 5  o 119.7918 10.41867 147.4993   24.96142 147.4993   24.96142 ?          ?        119.7918 10.41867 ?        ?        ?         ?        
1 1 1 13 60 6  o 66.98923 16.23651 49.92284   21.55759 49.92284   21.55759 ?          ?        66.98923 16.23651 ?        ?        ?         ?        
1 1 1 13 60 7  o 113.5348 10.99285 133.8840   24.96142 133.8840   24.96142 ?          ?        113.5348 10.99285 ?        ?        ?         ?        
1 1 1 13 60 8  o 182.7945 8.224306 342.0849   30.06716 342.0849   30.06716 ?          ?        182.7945 8.224306 ?        ?        ?         ?        
1 1 1 13 61 0  o 48.86400 25.85236 38.00943   33.47099 38.00943   33.47099 38.00943   33.47099 48.86400 25.85236 48.86400 25.85236 -0.000000 0.000000 
1 1 1 13 61 1  o 285.9172 7.936632 829.9672   45.38440 829.9672   45.38440 ?          ?        285.9172 7.936632 ?        ?        ?         ?        
1 1 1 13 61 2  o 50.92149 19.20394 23.25950   26.66333 23.25950   26.66333 ?          ?        50.92149 19.20394 ?        ?        ?         ?        
1 1 1 13 61 3  o 53.45811 18.78547 28.93255   24.96142 28.93255   24.96142 ?          ?        53.45811 18.78547 ?        ?        ?         ?        
1 1 1 13 61 4  o 139.9954 8.509855 199.6914   23.82681 199.6914   23.82681 ?          ?        139.9954 8.509855 ?        ?        ?         ?        
1 1 1 13 61 5  o 187.1774 8.183270 356.8348   30.63447 356.8348   30.63447 ?          ?        187.1774 8.183270 ?        ?        ?         ?        
1 1 1 13 61 6  o 71.52466 16.23159 57.29780   22.69220 57.29780   22.69220 ?          ?        71.52466 16.23159 ?        ?        ?         ?        
1 1 1 13 61 7  o 119.5404 10.44058 148.0666   24.96142 148.0666   24.96142 ?          ?        119.5404 10.44058 ?        ?        ?         ?        
1 1 1 13 62 0  o 25.76100 18.24172 -34.03830  35.74022 -34.03830  35.74022 -34.03830  35.74022 25.76100 18.24172 25.76100 18.24172 -0.000000 0.000000 
1 1 1 13 62 1  o 78.01255 17.18858 67.50929   26.09603 67.50929   26.09603 ?          ?        78.01255 17.18858 ?        ?        ?         ?        
1 1 1 13 62 2  o 53.70499 17.50418 30.63447   21.55759 30.63447   21.55759 ?          ?        53.70499 17.50418 ?        ?        ?         ?        
1 1 1 13 62 3  o 71.24355 16.94593 56.73050   23.82681 56.73050   23.82681 ?          ?        71.24355 16.94593 ?        ?        ?         ?        
1 1 1 13 62 4  o 184.8585 7.979038 347.7579   29.49986 347.7579   29.49986 ?          ?        184.8585 7.979038 ?        ?        ?         ?        
1 1 1 13 62 5  o 96.88936 15.51624 100.9803   30.06716 100.9803   30.06716 ?          ?        96.88936 15.51624 ?        ?        ?         ?        
1 1 1 13 62 6  o 65.02454 16.53424 47.65361   21.55759 47.65361   21.55759 ?          ?        65.02454 16.53424 ?        ?        ?         ?        
1 1 1 13 62 7  o 104.6028 11.66036 114.5956   24.39412 114.5956   24.39412 ?          ?        104.6028 11.66036 ?        ?        ?         ?        
1 1 1 13 63 0  o 173.2846 12.57310 311.4504   43.11518 311.4504   43.11518 311.4504   43.11518 173.2846 12.57310 173.2846 12.57310 -0.000000 0.000000 
1 1 1 13 63 1  o 31.34462 14.77802 -24.39412  24.39412 -24.39412  24.39412 ?          ?        31.34462 14.77802 ?        ?        ?         ?        
1 1 1 13 63 2  o 136.8191 9.951332 192.3164   27.23064 192.3164   27.23064 ?          ?        136.8191 9.951332 ?        ?        ?         ?        
1 1 1 13 63 3  o 125.3523 10.63536 162.2492   26.66333 162.2492   26.66333 ?          ?        125.3523 10.63536 ?        ?        ?         ?        
1 1 1 13 63 4  o 36.82218 16.03790 -0.5673050 22.12490 -0.5673050 22.12490 ?          ?        36.82218 16.03790 ?        ?        ?         ?        
1 1 1 13 63 5  o 50.72273 20.41236 19.28837   31.76908 19.28837   31.76908 ?          ?        50.72273 20.41236 ?        ?        ?         ?        
1 1 1 13 63 6  o 155.6421 8.930082 249.0469   27.79794 249.0469   27.79794 ?          ?        155.6421 8.930082 ?        ?        ?         ?        
1 1 1 13 64 0  o 49.98729 26.48623 40.84595   35.17290 40.84595   35.17290 40.84595   35.17290 49.98729 26.48623 49.98729 26.48623 -0.000000 0.000000 
1 1 1 13 64 1  o 36.57202 16.32166 -6.240355  24.39412 -6.240355  24.39412 ?          ?        36.57202 16.32166 ?        ?        ?         ?        
1 1 1 13 64 2  o 107.5275 11.34319 120.2687   24.39412 120.2687   24.39412 ?          ?        107.5275 11.34319 ?        ?        ?         ?        
1 1 1 13 64 3  o 52.11787 18.92832 27.23064   25.52872 27.23064   25.52872 ?          ?        52.11787 18.92832 ?        ?        ?         ?        
1 1 1 13 64 4  o 90.93875 14.03622 87.93227   25.52872 87.93227   25.52872 ?          ?        90.93875 14.03622 ?        ?        ?         ?        
1 1 1 13 64 5  o 107.0397 12.45488 120.8360   26.66333 120.8360   26.66333 ?          ?        107.0397 12.45488 ?        ?        ?         ?        
1 1 1 13 65 0  f 31.46138 21.13328 -6.807660  36.30752 -6.807660  36.30752 -6.807660  36.30752 31.46138 21.13328 31.46138 21.13328 -0.000000 0.000000 
1 1 1 13 65 1  o 128.8921 9.903136 171.3261   25.52872 171.3261   25.52872 ?          ?        128.8921 9.903136 ?        ?        ?         ?        
1 1 1 13 65 2  o 79.76160 16.21132 70.91312   24.96142 70.91312   24.96142 ?          ?        79.76160 16.21132 ?        ?        ?         ?        
1 1 1 13 65 3  o 125.4715 10.62525 163.3838   26.66333 163.3838   26.66333 ?          ?        125.4715 10.62525 ?        ?        ?         ?        
1 1 1 13 65 4  o 71.76985 19.04611 60.13433   27.79794 60.13433   27.79794 ?          ?        71.76985 19.04611 ?        ?        ?         ?        
1 1 1 13 66 0  o 101.6704 21.20300 121.9706   38.00943 121.9706   38.00943 121.9706   38.00943 101.6704 21.20300 101.6704 21.20300 -0.000000 0.000000 
1 1 1 13 66 1  o 99.10790 13.45167 104.3841   26.66333 104.3841   26.66333 ?          ?        99.10790 13.45167 ?        ?        ?         ?        
1 1 1 13 66 2  o 88.61777 14.72393 84.52843   26.09603 84.52843   26.09603 ?          ?        88.61777 14.72393 ?        ?        ?         ?        
1 1 1 13 66 3  o 68.30612 18.30937 53.89397   25.52872 53.89397   25.52872 ?          ?        68.30612 18.30937 ?        ?        ?         ?        
1 1 1 13 67 0  o 52.65923 26.49496 45.95170   34.03830 45.95170   34.03830 45.95170   34.03830 52.65923 26.49496 52.65923 26.49496 -0.000000 0.000000 
1 1 1 13 67 1  o 70.20419 18.07706 56.73050   25.52872 56.73050   25.52872 ?          ?        70.20419 18.07706 ?        ?        ?         ?        
1 1 1 14 0  0  o 150.0865 10.30399 228.6239   30.63447 228.6239   30.63447 228.6239   30.63447 150.0865 10.30399 150.0865 10.30399 -0.000000 0.000000 
1 1 1 14 0  1  o 310.8714 8.958364 970.0915   55.59589 970.0915   55.59589 970.0915   55.59589 310.8714 8.958364 310.8714 8.958364 -0.000000 0.000000 
1 1 1 14 0  2  o 171.9040 9.129706 298.4024   31.20177 298.4024   31.20177 298.4024   31.20177 171.9040 9.129706 171.9040 9.129706 -0.000000 0.000000 
1 1 1 14 0  3  o 459.8170 11.92357 2123.422   109.4899 2123.422   109.4899 2123.422   109.4899 459.8170 11.92357 459.8170 11.92357 -0.000000 0.000000 
1 1 1 14 0  4  o 196.1429 7.690288 386.9020   30.06716 386.9020   30.06716 386.9020   30.06716 196.1429 7.690288 196.1429 7.690288 -0.000000 0.000000 
1 1 1 14 0  5  o 179.9008 7.438077 325.6331   26.66333 325.6331   26.66333 325.6331   26.66333 179.9008 7.438077 179.9008 7.438077 -0.000000 0.000000 
1 1 1 14 0  6  o 177.5641 10.13303 318.8254   35.74022 318.8254   35.74022 318.8254   35.74022 177.5641 10.13303 177.5641 10.13303 -0.000000 0.000000 
1 1 1 14 0  7  o 253.1562 11.47942 645.5931   57.86510 645.5931   57.86510 645.5931   57.86510 253.1562 11.47942 253.1562 11.47942 -0.000000 0.000000 
1 1 1 14 0  8  o 597.2561 24.16449 3605.223   287.6236 3605.223   287.6236 3605.223   287.6236 597.2561 24.16449 597.2561 24.16449 -0.000000 0.000000 
1 1 1 14 0  9  o 533.8726 21.75576 2877.938   231.4604 2877.938   231.4604 2877.938   231.4604 533.8726 21.75576 533.8726 21.75576 -0.000000 0.000000 
1 1 1 14 0  10 o 576.8723 20.90837 3360.147   240.5373 3360.147   240.5373 3360.147   240.5373 576.8723 20.90837 576.8723 20.90837 -0.000000 0.000000 
1 1 1 14 0  11 o 158.8508 9.352875 255.2872   29.49986 255.2872   29.49986 255.2872   29.49986 158.8508 9.352875 158.8508 9.352875 -0.000000 0.000000 
1 1 1 14 0  12 o 93.62312 12.46598 92.47070   22.69220 92.47070   22.69220 92.47070   22.69220 93.62312 12.46598 93.62312 12.46598 -0.000000 0.000000 
1 1 1 14 0  13 f 683.4276 24.93356 4754.583   339.8157 4754.583   339.8157 4754.583   339.8157 683.4276 24.93356 683.4276 24.93356 -0.000000 0.000000 
1 1 1 14 0  14 o 94.88647 12.67508 92.47070   23.82681 92.47070   23.82681 92.47070   23.82681 94.88647 12.67508 94.88647 12.67508 -0.000000 0.000000 
1 1 1 14 0  15 o 22.38302 15.54295 -15.31723  22.69220 -15.31723  22.69220 -15.31723  22.69220 22.38302 15.54295 22.38302 15.54295 -0.000000 0.000000 
1 1 1 14 0  16 o 245.3332 10.44663 610.4202   51.05745 610.4202   51.05745 610.4202   51.05745 245.3332 10.44663 245.3332 10.44663 -0.000000 0.000000 
1 1 1 14 0  17 o 115.3576 11.00441 138.4224   24.96142 138.4224   24.96142 138.4224   24.96142 115.3576 11.00441 115.3576 11.00441 -0.000000 0.000000 
1 1 1 14 0  18 o 47.84088 22.41005 35.74022   23.82681 35.74022   23.82681 35.74022   23.82681 47.84088 22.41005 47.84088 22.41005 -0.000000 0.000000 
1 1 1 14 1  0  o 135.9655 7.346919 186.6433   19.85567 186.6433   19.85567 186.6433   19.85567 135.9655 7.346919 135.9655 7.346919 -0.000000 0.000000 
1 1 1 14 1  1  o 128.8621 5.503025 166.2204   14.18262 166.2204   14.18262 ?          ?        128.8621 5.503025 ?        ?        ?         ?        
1 1 1 14 1  2  o 218.6715 6.356096 478.8054   27.79794 478.8054   27.79794 ?          ?        218.6715 6.356096 ?        ?        ?         ?        
1 1 1 14 1  3  o 202.7258 4.897176 411.2961   19.85567 411.2961   19.85567 ?          ?        202.7258 4.897176 ?        ?        ?         ?        
1 1 1 14 1  4  o 229.2937 6.061646 526.4590   27.79794 526.4590   27.79794 ?          ?        229.2937 6.061646 ?        ?        ?         ?        
1 1 1 14 1  5  o 304.4347 6.149452 928.1110   37.44213 928.1110   37.44213 ?          ?        304.4347 6.149452 ?        ?        ?         ?        
1 1 1 14 1  6  o 575.6121 16.55754 3339.725   190.6145 3339.725   190.6145 ?          ?        575.6121 16.55754 ?        ?        ?         ?        
1 1 1 14 1  7  o 707.7078 19.96007 5045.043   282.5179 5045.043   282.5179 ?          ?        707.7078 19.96007 ?        ?        ?         ?        
1 1 1 14 1  8  o 251.4564 8.009074 633.1123   40.27865 633.1123   40.27865 ?          ?        251.4564 8.009074 ?        ?        ?         ?        
1 1 1 14 1  9  o 591.0725 16.89229 3513.887   199.6914 3513.887   199.6914 ?          ?        591.0725 16.89229 ?        ?        ?         ?        
1 1 1 14 1  10 o 305.2700 9.942286 934.3513   60.70163 934.3513   60.70163 ?          ?        305.2700 9.942286 ?        ?        ?         ?        
1 1 1 14 1  11 f 175.3559 7.602632 308.0466   26.66333 308.0466   26.66333 ?          ?        175.3559 7.602632 ?        ?        ?         ?        
1 1 1 14 1  12 f 438.8478 13.83205 1939.048   121.4033 1939.048   121.4033 ?          ?        438.8478 13.83205 ?        ?        ?         ?        
1 1 1 14 1  13 f 192.8509 6.912941 372.7193   26.66333 372.7193   26.66333 ?          ?        192.8509 6.912941 ?        ?        ?         ?        
1 1 1 14 1  14 o 282.9510 7.719088 803.8712   43.68248 803.8712   43.68248 ?          ?        282.9510 7.719088 ?        ?        ?         ?        
1 1 1 14 1  15 o 127.8895 6.875647 164.5184   17.58645 164.5184   17.58645 ?          ?        127.8895 6.875647 ?        ?        ?         ?        
1 1 1 14 1  16 o 332.7497 9.121216 1122.129   60.70163 1122.129   60.70163 ?          ?        332.7497 9.121216 ?        ?        ?         ?        
1 1 1 14 1  17 o 102.8618 7.721298 107.2206   15.88454 107.2206   15.88454 ?          ?        102.8618 7.721298 ?        ?        ?         ?        
1 1 1 14 1  18 o 124.7532 7.503241 158.2781   18.72106 158.2781   18.72106 ?          ?        124.7532 7.503241 ?        ?        ?         ?        
1 1 1 14 2  0  o 343.8119 11.91162 1189.071   81.69191 1189.071   81.69191 1189.071   81.69191 343.8119 11.91162 343.8119 11.91162 -0.000000 0.000000 
1 1 1 14 2  1  o 201.8685 5.339514 407.8922   21.55759 407.8922   21.55759 ?          ?        201.8685 5.339514 ?        ?        ?         ?        
1 1 1 14 2  2  o 421.6061 6.795183 1780.203   57.29780 1780.203   57.29780 ?          ?        421.6061 6.795183 ?        ?        ?         ?        
1 1 1 14 2  3  o 403.3962 7.734772 1630.434   62.40355 1630.434   62.40355 ?          ?        403.3962 7.734772 ?        ?        ?         ?        
1 1 1 14 2  4  o 105.6546 5.637903 111.7591   11.91340 111.7591   11.91340 ?          ?        105.6546 5.637903 ?        ?        ?         ?        
1 1 1 14 2  5  o 81.72269 7.983105 66.94199   13.04801 66.94199   13.04801 ?          ?        81.72269 7.983105 ?        ?        ?         ?        
1 1 1 14 2  6  o 352.2642 9.421152 1244.100   66.37468 1244.100   66.37468 ?          ?        352.2642 9.421152 ?        ?        ?         ?        
1 1 1 14 2  7  o 727.9221 20.53583 5339.474   298.9697 5339.474   298.9697 ?          ?        727.9221 20.53583 ?        ?        ?         ?        
1 1 1 14 2  8  o 204.9637 5.674054 420.3730   23.25950 420.3730   23.25950 ?          ?        204.9637 5.674054 ?        ?        ?         ?        
1 1 1 14 2  9  o 221.0482 6.287755 489.0168   27.79794 489.0168   27.79794 ?          ?        221.0482 6.287755 ?        ?        ?         ?        
1 1 1 14 2  10 o 186.2426 5.939806 347.1906   22.12490 347.1906   22.12490 ?          ?        186.2426 5.939806 ?        ?        ?         ?        
1 1 1 14 2  11 o 164.0455 6.570611 269.4698   21.55759 269.4698   21.55759 ?          ?        164.0455 6.570611 ?        ?        ?         ?        
1 1 1 14 2  12 o 225.7592 7.036053 510.5745   31.76908 510.5745   31.76908 ?          ?        225.7592 7.036053 ?        ?        ?         ?        
1 1 1 14 2  13 o 315.4373 8.722589 998.4568   55.02858 998.4568   55.02858 ?          ?        315.4373 8.722589 ?        ?        ?         ?        
1 1 1 14 2  14 o 280.9942 8.075682 793.0923   45.38440 793.0923   45.38440 ?          ?        280.9942 8.075682 ?        ?        ?         ?        
1 1 1 14 2  15 o 190.9290 6.536834 366.4790   24.96142 366.4790   24.96142 ?          ?        190.9290 6.536834 ?        ?        ?         ?        
1 1 1 14 2  16 o 84.23183 9.765813 72.04772   16.45185 72.04772   16.45185 ?          ?        84.23183 9.765813 ?        ?        ?         ?        
1 1 1 14 2  17 o 82.48820 10.65998 69.77851   17.58645 69.77851   17.58645 ?          ?        82.48820 10.65998 ?        ?        ?         ?        
1 1 1 14 2  18 o 162.9055 6.616594 268.9026   21.55759 268.9026   21.55759 ?          ?        162.9055 6.616594 ?        ?        ?         ?        
1 1 1 14 3  0  o 192.8029 7.676670 373.8540   29.49986 373.8540   29.49986 373.8540   29.49986 192.8029 7.676670 192.8029 7.676670 -0.000000 0.000000 
1 1 1 14 3  1  o 129.0919 5.053770 166.7877   13.04801 166.7877   13.04801 ?          ?        129.0919 5.053770 ?        ?        ?         ?        
1 1 1 14 3  2  o 450.6044 7.679819 2034.356   69.21120 2034.356   69.21120 ?          ?        450.6044 7.679819 ?        ?        ?         ?        
1 1 1 14 3  3  o 135.7244 5.224788 184.3741   14.18262 184.3741   14.18262 ?          ?        135.7244 5.224788 ?        ?        ?         ?        
1 1 1 14 3  4  o 189.6397 6.730848 360.2386   25.52872 360.2386   25.52872 ?          ?        189.6397 6.730848 ?        ?        ?         ?        
1 1 1 14 3  5  o 227.9922 4.727703 520.2186   21.55759 520.2186   21.55759 ?          ?        227.9922 4.727703 ?        ?        ?         ?        
1 1 1 14 3  6  o 467.6151 13.58771 2198.307   127.0763 2198.307   127.0763 ?          ?        467.6151 13.58771 ?        ?        ?         ?        
1 1 1 14 3  7  o 368.6731 10.84836 1362.099   79.99000 1362.099   79.99000 ?          ?        368.6731 10.84836 ?        ?        ?         ?        
1 1 1 14 3  8  o 555.3589 18.38719 3105.427   204.2298 3105.427   204.2298 ?          ?        555.3589 18.38719 ?        ?        ?         ?        
1 1 1 14 3  9  o 324.6590 8.911675 1055.755   57.86510 1055.755   57.86510 ?          ?        324.6590 8.911675 ?        ?        ?         ?        
1 1 1 14 3  10 o 280.7344 8.588353 789.6885   48.22092 789.6885   48.22092 ?          ?        280.7344 8.588353 ?        ?        ?         ?        
1 1 1 14 3  11 o 459.1203 12.91238 2118.884   118.5667 2118.884   118.5667 ?          ?        459.1203 12.91238 ?        ?        ?         ?        
1 1 1 14 3  12 o 171.4490 6.783215 294.4313   23.25950 294.4313   23.25950 ?          ?        171.4490 6.783215 ?        ?        ?         ?        
1 1 1 14 3  13 o 159.0664 6.954612 253.5853   22.12490 253.5853   22.12490 ?          ?        159.0664 6.954612 ?        ?        ?         ?        
1 1 1 14 3  14 o 502.4205 14.34012 2559.680   144.0954 2559.680   144.0954 ?          ?        502.4205 14.34012 ?        ?        ?         ?        
1 1 1 14 3  15 o 344.6732 8.723383 1199.283   60.13433 1199.283   60.13433 ?          ?        344.6732 8.723383 ?        ?        ?         ?        
1 1 1 14 3  16 o 136.0288 7.298335 186.6433   19.85567 186.6433   19.85567 ?          ?        136.0288 7.298335 ?        ?        ?         ?        
1 1 1 14 3  17 o 60.59063 13.86918 39.71135   16.45185 39.71135   16.45185 ?          ?        60.59063 13.86918 ?        ?        ?         ?        
1 1 1 14 3  18 o 192.8310 6.913653 377.2578   26.66333 377.2578   26.66333 ?          ?        192.8310 6.913653 ?        ?        ?         ?        
1 1 1 14 4  0  o 60.82196 13.33324 41.98057   14.18262 41.98057   14.18262 41.98057   14.18262 60.82196 13.33324 60.82196 13.33324 -0.000000 0.000000 
1 1 1 14 4  1  o 228.3534 5.217091 521.9205   23.82681 521.9205   23.82681 ?          ?        228.3534 5.217091 ?        ?        ?         ?        
1 1 1 14 4  2  o 227.6221 4.860006 518.5167   22.12490 518.5167   22.12490 ?          ?        227.6221 4.860006 ?        ?        ?         ?        
1 1 1 14 4  3  o 256.0594 5.760354 656.3718   29.49986 656.3718   29.49986 ?          ?        256.0594 5.760354 ?        ?        ?         ?        
1 1 1 14 4  4  o 55.12811 12.16074 31.76908   13.04801 31.76908   13.04801 ?          ?        55.12811 12.16074 ?        ?        ?         ?        
1 1 1 14 4  5  o 326.4700 5.908161 1067.101   38.57674 1067.101   38.57674 ?          ?        326.4700 5.908161 ?        ?        ?         ?        
1 1 1 14 4  6  o 512.3585 17.10689 2647.045   175.2972 2647.045   175.2972 ?          ?        512.3585 17.10689 ?        ?        ?         ?        
1 1 1 14 4  7  o 116.8517 8.496098 136.7205   19.85567 136.7205   19.85567 ?          ?        116.8517 8.496098 ?        ?        ?         ?        
1 1 1 14 4  8  o 595.8392 19.66109 3578.560   234.2970 3578.560   234.2970 ?          ?        595.8392 19.66109 ?        ?        ?         ?        
1 1 1 14 4  9  o 40.78717 13.91092 15.31723   13.61532 15.31723   13.61532 ?          ?        40.78717 13.91092 ?        ?        ?         ?        
1 1 1 14 4  10 o 306.9921 7.761375 943.9954   47.65361 943.9954   47.65361 ?          ?        306.9921 7.761375 ?        ?        ?         ?        
1 1 1 14 4  11 o 592.7102 16.55847 3543.387   196.2875 3543.387   196.2875 ?          ?        592.7102 16.55847 ?        ?        ?         ?        
1 1 1 14 4  12 o 450.7384 11.76803 2041.731   106.0860 2041.731   106.0860 ?          ?        450.7384 11.76803 ?        ?        ?         ?        
1 1 1 14 4  13 o 206.8758 6.718512 428.8826   27.79794 428.8826   27.79794 ?          ?        206.8758 6.718512 ?        ?        ?         ?        
1 1 1 14 4  14 f 143.8614 6.900973 207.6336   19.85567 207.6336   19.85567 ?          ?        143.8614 6.900973 ?        ?        ?         ?        
1 1 1 14 4  15 o 275.6793 8.231375 766.4290   45.38440 766.4290   45.38440 ?          ?        275.6793 8.231375 ?        ?        ?         ?        
1 1 1 14 4  16 o 93.78702 8.770854 89.06688   16.45185 89.06688   16.45185 ?          ?        93.78702 8.770854 ?        ?        ?         ?        
1 1 1 14 4  17 o 52.72677 14.20456 30.06716   15.31723 30.06716   15.31723 ?          ?        52.72677 14.20456 ?        ?        ?         ?        
1 1 1 14 4  18 o 33.84281 14.11348 3.971134   15.88454 3.971134   15.88454 ?          ?        33.84281 14.11348 ?        ?        ?         ?        
1 1 1 14 5  0  o 65.38811 13.20855 47.65361   15.31723 47.65361   15.31723 47.65361   15.31723 65.38811 13.20855 65.38811 13.20855 -0.000000 0.000000 
1 1 1 14 5  1  o 183.5050 4.637244 336.9791   17.01915 336.9791   17.01915 ?          ?        183.5050 4.637244 ?        ?        ?         ?        
1 1 1 14 5  2  o 282.0876 5.429956 796.4961   30.63447 796.4961   30.63447 ?          ?        282.0876 5.429956 ?        ?        ?         ?        
1 1 1 14 5  3  o 140.4281 5.857745 197.4221   16.45185 197.4221   16.45185 ?          ?        140.4281 5.857745 ?        ?        ?         ?        
1 1 1 14 5  4  o 226.6160 4.631246 513.9783   20.99029 513.9783   20.99029 ?          ?        226.6160 4.631246 ?        ?        ?         ?        
1 1 1 14 5  5  o 39.81607 13.01247 15.31723   11.91340 15.31723   11.91340 ?          ?        39.81607 13.01247 ?        ?        ?         ?        
1 1 1 14 5  6  o 84.13320 8.091526 70.91312   13.61532 70.91312   13.61532 ?          ?        84.13320 8.091526 ?        ?        ?         ?        
1 1 1 14 5  7  o 295.1165 8.073695 871.9477   47.65361 871.9477   47.65361 ?          ?        295.1165 8.073695 ?        ?        ?         ?        
1 1 1 14 5  8  o 182.4217 5.753232 333.0080   20.99029 333.0080   20.99029 ?          ?        182.4217 5.753232 ?        ?        ?         ?        
1 1 1 14 5  9  o 137.7943 6.587267 190.0471   18.15376 190.0471   18.15376 ?          ?        137.7943 6.587267 ?        ?        ?         ?        
1 1 1 14 5  10 o 347.9052 8.642345 1212.898   60.13433 1212.898   60.13433 ?          ?        347.9052 8.642345 ?        ?        ?         ?        
1 1 1 14 5  11 o 232.8936 7.916667 543.4781   36.87482 543.4781   36.87482 ?          ?        232.8936 7.916667 ?        ?        ?         ?        
1 1 1 14 5  12 o 322.6812 8.350962 1043.841   53.89397 1043.841   53.89397 ?          ?        322.6812 8.350962 ?        ?        ?         ?        
1 1 1 14 5  13 o 96.28733 8.543099 93.03801   16.45185 93.03801   16.45185 ?          ?        96.28733 8.543099 ?        ?        ?         ?        
1 1 1 14 5  14 o 349.4641 9.496639 1228.783   66.37468 1228.783   66.37468 ?          ?        349.4641 9.496639 ?        ?        ?         ?        
1 1 1 14 5  15 f 61.18282 13.35066 39.71135   15.88454 39.71135   15.88454 ?          ?        61.18282 13.35066 ?        ?        ?         ?        
1 1 1 14 5  16 o 85.84551 9.912662 74.88425   17.01915 74.88425   17.01915 ?          ?        85.84551 9.912662 ?        ?        ?         ?        
1 1 1 14 5  17 o 82.74335 10.96992 70.34581   18.15376 70.34581   18.15376 ?          ?        82.74335 10.96992 ?        ?        ?         ?        
1 1 1 14 5  18 o 195.4106 7.548174 388.6039   29.49986 388.6039   29.49986 ?          ?        195.4106 7.548174 ?        ?        ?         ?        
1 1 1 14 6  0  o 290.2446 7.241929 844.7171   41.98057 844.7171   41.98057 844.7171   41.98057 290.2446 7.241929 290.2446 7.241929 -0.000000 0.000000 
1 1 1 14 6  1  o 108.0552 5.250140 116.8648   11.34610 116.8648   11.34610 ?          ?        108.0552 5.250140 ?        ?        ?         ?        
1 1 1 14 6  2  o 298.9486 5.693002 894.6400   34.03830 894.6400   34.03830 ?          ?        298.9486 5.693002 ?        ?        ?         ?        
1 1 1 14 6  3  o 223.2256 4.701585 498.6611   20.99029 498.6611   20.99029 ?          ?        223.2256 4.701585 ?        ?        ?         ?        
1 1 1 14 6  4  f 345.3181 5.996394 1194.177   41.41326 1194.177   41.41326 ?          ?        345.3181 5.996394 ?        ?        ?         ?        
1 1 1 14 6  5  o 357.6925 7.295659 1281.542   52.19205 1281.542   52.19205 ?          ?        357.6925 7.295659 ?        ?        ?         ?        
1 1 1 14 6  6  o 451.9499 9.916385 2047.971   89.63419 2047.971   89.63419 ?          ?        451.9499 9.916385 ?        ?        ?         ?        
1 1 1 14 6  7  o 298.0432 10.75439 890.1014   64.10546 890.1014   64.10546 ?          ?        298.0432 10.75439 ?        ?        ?         ?        
1 1 1 14 6  8  o 502.4010 16.76843 2539.257   168.4896 2539.257   168.4896 ?          ?        502.4010 16.76843 ?        ?        ?         ?        
1 1 1 14 6  9  o 375.9578 9.129205 1415.993   68.64390 1415.993   68.64390 ?          ?        375.9578 9.129205 ?        ?        ?         ?        
1 1 1 14 6  10 o 191.1775 6.379965 365.9117   24.39412 365.9117   24.39412 ?          ?        191.1775 6.379965 ?        ?        ?         ?        
1 1 1 14 6  11 o 574.0626 14.57637 3318.167   167.3549 3318.167   167.3549 ?          ?        574.0626 14.57637 ?        ?        ?         ?        
1 1 1 14 6  12 o 182.9449 6.977163 335.2772   25.52872 335.2772   25.52872 ?          ?        182.9449 6.977163 ?        ?        ?         ?        
1 1 1 14 6  13 o 374.1311 9.325409 1405.782   69.77851 1405.782   69.77851 ?          ?        374.1311 9.325409 ?        ?        ?         ?        
1 1 1 14 6  14 o 158.8271 6.607903 253.0180   20.99029 253.0180   20.99029 ?          ?        158.8271 6.607903 ?        ?        ?         ?        
1 1 1 14 6  15 o 148.7501 7.818313 222.9509   23.25950 222.9509   23.25950 ?          ?        148.7501 7.818313 ?        ?        ?         ?        
1 1 1 14 6  16 o 59.43620 14.82699 38.00943   17.58645 38.00943   17.58645 ?          ?        59.43620 14.82699 ?        ?        ?         ?        
1 1 1 14 6  17 f 56.51998 13.67817 34.60560   15.31723 34.60560   15.31723 ?          ?        56.51998 13.67817 ?        ?        ?         ?        
1 1 1 14 6  18 o 145.2500 7.811429 215.0086   22.69220 215.0086   22.69220 ?          ?        145.2500 7.811429 ?        ?        ?         ?        
1 1 1 14 7  0  o 334.8620 9.333829 1125.533   62.40355 1125.533   62.40355 1125.533   62.40355 334.8620 9.333829 334.8620 9.333829 -0.000000 0.000000 
1 1 1 14 7  1  o 137.5967 4.947545 189.4799   13.61532 189.4799   13.61532 ?          ?        137.5967 4.947545 ?        ?        ?         ?        
1 1 1 14 7  2  o 534.3978 8.227229 2862.054   87.93227 2862.054   87.93227 ?          ?        534.3978 8.227229 ?        ?        ?         ?        
1 1 1 14 7  3  o 173.0101 4.590640 299.5370   15.88454 299.5370   15.88454 ?          ?        173.0101 4.590640 ?        ?        ?         ?        
1 1 1 14 7  4  o 213.1945 4.922801 454.9786   20.99029 454.9786   20.99029 ?          ?        213.1945 4.922801 ?        ?        ?         ?        
1 1 1 14 7  5  o 238.6428 6.180756 570.1415   29.49986 570.1415   29.49986 ?          ?        238.6428 6.180756 ?        ?        ?         ?        
1 1 1 14 7  6  o 355.5138 9.494609 1266.792   67.50929 1266.792   67.50929 ?          ?        355.5138 9.494609 ?        ?        ?         ?        
1 1 1 14 7  7  o 457.2595 18.73401 2103.567   171.3261 2103.567   171.3261 ?          ?        457.2595 18.73401 ?        ?        ?         ?        
1 1 1 14 7  8  o 549.4811 18.06766 3040.754   198.5567 3040.754   198.5567 ?          ?        549.4811 18.06766 ?        ?        ?         ?        
1 1 1 14 7  9  f 260.6184 8.054031 680.1987   41.98057 680.1987   41.98057 ?          ?        260.6184 8.054031 ?        ?        ?         ?        
1 1 1 14 7  10 o 309.3156 8.436701 958.7454   52.19205 958.7454   52.19205 ?          ?        309.3156 8.436701 ?        ?        ?         ?        
1 1 1 14 7  11 o 388.1631 15.12665 1518.108   117.4321 1518.108   117.4321 ?          ?        388.1631 15.12665 ?        ?        ?         ?        
1 1 1 14 7  12 o 104.2217 8.709202 108.9226   18.15376 108.9226   18.15376 ?          ?        104.2217 8.709202 ?        ?        ?         ?        
1 1 1 14 7  13 o 133.0746 7.247204 177.5665   19.28837 177.5665   19.28837 ?          ?        133.0746 7.247204 ?        ?        ?         ?        
1 1 1 14 7  14 o 314.4106 8.841288 993.9183   55.59589 993.9183   55.59589 ?          ?        314.4106 8.841288 ?        ?        ?         ?        
1 1 1 14 7  15 o 70.14013 12.58926 51.62476   17.01915 51.62476   17.01915 ?          ?        70.14013 12.58926 ?        ?        ?         ?        
1 1 1 14 7  16 o 75.75600 10.48401 58.43241   15.88454 58.43241   15.88454 ?          ?        75.75600 10.48401 ?        ?        ?         ?        
1 1 1 14 7  17 o 270.5578 8.177512 743.7368   44.24979 743.7368   44.24979 ?          ?        270.5578 8.177512 ?        ?        ?         ?        
1 1 1 14 7  18 o 160.5426 7.774080 262.6622   24.96142 262.6622   24.96142 ?          ?        160.5426 7.774080 ?        ?        ?         ?        
1 1 1 14 8  0  o 390.7754 9.229999 1531.723   72.04772 1531.723   72.04772 1531.723   72.04772 390.7754 9.229999 390.7754 9.229999 -0.000000 0.000000 
1 1 1 14 8  1  o 165.8169 4.618719 275.1429   15.31723 275.1429   15.31723 ?          ?        165.8169 4.618719 ?        ?        ?         ?        
1 1 1 14 8  2  o 448.9867 6.949377 2019.038   62.40355 2019.038   62.40355 ?          ?        448.9867 6.949377 ?        ?        ?         ?        
1 1 1 14 8  3  o 208.6595 4.486031 435.6902   18.72106 435.6902   18.72106 ?          ?        208.6595 4.486031 ?        ?        ?         ?        
1 1 1 14 8  4  o 254.2834 5.019738 647.2949   25.52872 647.2949   25.52872 ?          ?        254.2834 5.019738 ?        ?        ?         ?        
1 1 1 14 8  5  o 336.3374 5.903499 1132.341   39.71135 1132.341   39.71135 ?          ?        336.3374 5.903499 ?        ?        ?         ?        
1 1 1 14 8  6  o 523.8467 14.99899 2758.804   157.1435 2758.804   157.1435 ?          ?        523.8467 14.99899 ?        ?        ?         ?        
1 1 1 14 8  7  o 658.7164 18.64559 4364.845   245.6430 4364.845   245.6430 ?          ?        658.7164 18.64559 ?        ?        ?         ?        
1 1 1 14 8  8  o 641.1204 18.49368 4141.326   237.1335 4141.326   237.1335 ?          ?        641.1204 18.49368 ?        ?        ?         ?        
1 1 1 14 8  9  o 139.0311 5.916607 193.4510   16.45185 193.4510   16.45185 ?          ?        139.0311 5.916607 ?        ?        ?         ?        
1 1 1 14 8  10 o 237.7558 7.277552 566.1703   34.60560 566.1703   34.60560 ?          ?        237.7558 7.277552 ?        ?        ?         ?        
1 1 1 14 8  11 o 314.1358 8.758725 989.3799   55.02858 989.3799   55.02858 ?          ?        314.1358 8.758725 ?        ?        ?         ?        
1 1 1 14 8  12 o 54.65076 16.07100 30.63447   18.72106 30.63447   18.72106 ?          ?        54.65076 16.07100 ?        ?        ?         ?        
1 1 1 14 8  13 o 153.8014 6.823828 237.1335   20.99029 237.1335   20.99029 ?          ?        153.8014 6.823828 ?        ?        ?         ?        
1 1 1 14 8  14 o 124.6382 7.737747 156.0089   19.28837 156.0089   19.28837 ?          ?        124.6382 7.737747 ?        ?        ?         ?        
1 1 1 14 8  15 o 190.6913 7.139978 365.9117   27.23064 365.9117   27.23064 ?          ?        190.6913 7.139978 ?        ?        ?         ?        
1 1 1 14 8  16 o 164.9588 7.394003 274.5756   24.39412 274.5756   24.39412 ?          ?        164.9588 7.394003 ?        ?        ?         ?        
1 1 1 14 8  17 o 187.3234 7.419773 355.7002   27.79794 355.7002   27.79794 ?          ?        187.3234 7.419773 ?        ?        ?         ?        
1 1 1 14 8  18 o 157.7500 7.731891 253.5853   24.39412 253.5853   24.39412 ?          ?        157.7500 7.731891 ?        ?        ?         ?        
1 1 1 14 9  0  o 127.6609 8.065152 165.0858   20.42298 165.0858   20.42298 165.0858   20.42298 127.6609 8.065152 127.6609 8.065152 -0.000000 0.000000 
1 1 1 14 9  1  o 47.79672 10.37960 23.82681   9.644185 23.82681   9.644185 ?          ?        47.79672 10.37960 ?        ?        ?         ?        
1 1 1 14 9  2  o 247.4409 4.585378 612.6893   22.69220 612.6893   22.69220 ?          ?        247.4409 4.585378 ?        ?        ?         ?        
1 1 1 14 9  3  o 236.7803 4.552235 561.0646   21.55759 561.0646   21.55759 ?          ?        236.7803 4.552235 ?        ?        ?         ?        
1 1 1 14 9  4  o 388.9759 6.635983 1515.839   51.62476 1515.839   51.62476 ?          ?        388.9759 6.635983 ?        ?        ?         ?        
1 1 1 14 9  5  o 139.6341 5.687916 195.1529   15.88454 195.1529   15.88454 ?          ?        139.6341 5.687916 ?        ?        ?         ?        
1 1 1 14 9  6  o 259.6942 6.771987 675.0929   35.17290 675.0929   35.17290 ?          ?        259.6942 6.771987 ?        ?        ?         ?        
1 1 1 14 9  7  o 740.4129 17.04797 5509.098   252.4507 5509.098   252.4507 ?          ?        740.4129 17.04797 ?        ?        ?         ?        
1 1 1 14 9  8  o 232.3070 5.860916 540.0743   27.23064 540.0743   27.23064 ?          ?        232.3070 5.860916 ?        ?        ?         ?        
1 1 1 14 9  9  o 335.2928 9.644222 1126.668   64.67276 1126.668   64.67276 ?          ?        335.2928 9.644222 ?        ?        ?         ?        
1 1 1 14 9  10 o 246.9982 7.005233 610.9874   34.60560 610.9874   34.60560 ?          ?        246.9982 7.005233 ?        ?        ?         ?        
1 1 1 14 9  11 o 174.7232 6.818444 305.7773   23.82681 305.7773   23.82681 ?          ?        174.7232 6.818444 ?        ?        ?         ?        
1 1 1 14 9  12 o 346.5979 12.93057 1208.927   89.63419 1208.927   89.63419 ?          ?        346.5979 12.93057 ?        ?        ?         ?        
1 1 1 14 9  13 f 378.6690 10.26236 1442.089   77.72078 1442.089   77.72078 ?          ?        378.6690 10.26236 ?        ?        ?         ?        
1 1 1 14 9  14 o 347.2580 9.556970 1214.033   66.37468 1214.033   66.37468 ?          ?        347.2580 9.556970 ?        ?        ?         ?        
1 1 1 14 9  15 o 102.8992 7.718493 106.6533   15.88454 106.6533   15.88454 ?          ?        102.8992 7.718493 ?        ?        ?         ?        
1 1 1 14 9  16 f 75.75515 10.48413 58.43241   15.88454 58.43241   15.88454 ?          ?        75.75515 10.48413 ?        ?        ?         ?        
1 1 1 14 9  17 o 143.1568 7.133080 207.6336   20.42298 207.6336   20.42298 ?          ?        143.1568 7.133080 ?        ?        ?         ?        
1 1 1 14 9  18 f 122.8716 8.310699 154.3070   20.42298 154.3070   20.42298 ?          ?        122.8716 8.310699 ?        ?        ?         ?        
1 1 1 14 10 0  o 333.2713 9.207590 1114.754   61.26894 1114.754   61.26894 1114.754   61.26894 333.2713 9.207590 333.2713 9.207590 -0.000000 0.000000 
1 1 1 14 10 1  o 218.8811 4.276537 479.3727   18.72106 479.3727   18.72106 ?          ?        218.8811 4.276537 ?        ?        ?         ?        
1 1 1 14 10 2  o 129.2906 5.923570 167.3549   15.31723 167.3549   15.31723 ?          ?        129.2906 5.923570 ?        ?        ?         ?        
1 1 1 14 10 3  o 135.7352 4.388474 184.3741   11.91340 184.3741   11.91340 ?          ?        135.7352 4.388474 ?        ?        ?         ?        
1 1 1 14 10 4  o 291.6674 6.418633 852.0920   37.44213 852.0920   37.44213 ?          ?        291.6674 6.418633 ?        ?        ?         ?        
1 1 1 14 10 5  f 301.2542 7.061790 908.8225   42.54787 908.8225   42.54787 ?          ?        301.2542 7.061790 ?        ?        ?         ?        
1 1 1 14 10 6  o 124.1602 6.853703 154.3070   17.01915 154.3070   17.01915 ?          ?        124.1602 6.853703 ?        ?        ?         ?        
1 1 1 14 10 7  o 700.5471 17.73468 4933.851   248.4796 4933.851   248.4796 ?          ?        700.5471 17.73468 ?        ?        ?         ?        
1 1 1 14 10 8  o 336.8685 10.35694 1137.446   69.77851 1137.446   69.77851 ?          ?        336.8685 10.35694 ?        ?        ?         ?        
1 1 1 14 10 9  o 108.8282 6.776702 118.5667   14.74993 118.5667   14.74993 ?          ?        108.8282 6.776702 ?        ?        ?         ?        
1 1 1 14 10 10 o 114.8869 6.913118 132.1821   15.88454 132.1821   15.88454 ?          ?        114.8869 6.913118 ?        ?        ?         ?        
1 1 1 14 10 11 o 230.6060 6.888174 532.6994   31.76908 532.6994   31.76908 ?          ?        230.6060 6.888174 ?        ?        ?         ?        
1 1 1 14 10 12 o 255.2298 7.779528 652.9680   39.71135 652.9680   39.71135 ?          ?        255.2298 7.779528 ?        ?        ?         ?        
1 1 1 14 10 13 o 206.6588 7.274591 428.3152   30.06716 428.3152   30.06716 ?          ?        206.6588 7.274591 ?        ?        ?         ?        
1 1 1 14 10 14 o 319.3483 8.971054 1026.255   57.29780 1026.255   57.29780 ?          ?        319.3483 8.971054 ?        ?        ?         ?        
1 1 1 14 10 15 f 155.7321 6.921369 243.9411   21.55759 243.9411   21.55759 ?          ?        155.7321 6.921369 ?        ?        ?         ?        
1 1 1 14 10 16 o 95.27991 8.633429 91.90340   16.45185 91.90340   16.45185 ?          ?        95.27991 8.633429 ?        ?        ?         ?        
1 1 1 14 10 17 o 85.82032 9.585052 75.45156   16.45185 75.45156   16.45185 ?          ?        85.82032 9.585052 ?        ?        ?         ?        
1 1 1 14 10 18 o 115.0800 8.626903 135.5859   19.85567 135.5859   19.85567 ?          ?        115.0800 8.626903 ?        ?        ?         ?        
1 1 1 14 11 0  o 251.6009 6.661947 634.8142   33.47099 634.8142   33.47099 634.8142   33.47099 251.6009 6.661947 251.6009 6.661947 -0.000000 0.000000 
1 1 1 14 11 1  o 271.8751 5.007933 739.7656   27.23064 739.7656   27.23064 ?          ?        271.8751 5.007933 ?        ?        ?         ?        
1 1 1 14 11 2  o 243.2296 5.714344 592.2664   27.79794 592.2664   27.79794 ?          ?        243.2296 5.714344 ?        ?        ?         ?        
1 1 1 14 11 3  f 89.68167 6.325763 80.55730   11.34610 80.55730   11.34610 ?          ?        89.68167 6.325763 ?        ?        ?         ?        
1 1 1 14 11 4  o 187.7637 4.985271 352.8637   18.72106 352.8637   18.72106 ?          ?        187.7637 4.985271 ?        ?        ?         ?        
1 1 1 14 11 5  o 101.5457 6.704036 103.2495   13.61532 103.2495   13.61532 ?          ?        101.5457 6.704036 ?        ?        ?         ?        
1 1 1 14 11 6  o 226.9773 6.998293 515.6802   31.76908 515.6802   31.76908 ?          ?        226.9773 6.998293 ?        ?        ?         ?        
1 1 1 14 11 7  o 345.2385 11.74907 1194.744   81.12460 1194.744   81.12460 ?          ?        345.2385 11.74907 ?        ?        ?         ?        
1 1 1 14 11 8  o 232.3988 6.957089 540.6417   32.33638 540.6417   32.33638 ?          ?        232.3988 6.957089 ?        ?        ?         ?        
1 1 1 14 11 9  o 163.5704 5.722633 267.7679   18.72106 267.7679   18.72106 ?          ?        163.5704 5.722633 ?        ?        ?         ?        
1 1 1 14 11 10 o 236.7006 6.830649 561.0646   32.33638 561.0646   32.33638 ?          ?        236.7006 6.830649 ?        ?        ?         ?        
1 1 1 14 11 11 o 111.8256 8.370649 125.3744   18.72106 125.3744   18.72106 ?          ?        111.8256 8.370649 ?        ?        ?         ?        
1 1 1 14 11 12 f 98.35257 8.363708 97.00916   16.45185 97.00916   16.45185 ?          ?        98.35257 8.363708 ?        ?        ?         ?        
1 1 1 14 11 13 o 146.8008 7.342464 216.1432   21.55759 216.1432   21.55759 ?          ?        146.8008 7.342464 ?        ?        ?         ?        
1 1 1 14 11 14 o 232.8821 7.917058 545.1801   36.87482 545.1801   36.87482 ?          ?        232.8821 7.917058 ?        ?        ?         ?        
1 1 1 14 11 15 o 76.00330 9.703480 58.43241   14.74993 58.43241   14.74993 ?          ?        76.00330 9.703480 ?        ?        ?         ?        
1 1 1 14 11 16 o 96.12605 8.852517 93.60532   17.01915 93.60532   17.01915 ?          ?        96.12605 8.852517 ?        ?        ?         ?        
1 1 1 14 11 17 o 103.1502 10.44961 109.4899   21.55759 109.4899   21.55759 ?          ?        103.1502 10.44961 ?        ?        ?         ?        
1 1 1 14 11 18 o 72.50410 16.41903 58.99971   23.25950 58.99971   23.25950 ?          ?        72.50410 16.41903 ?        ?        ?         ?        
1 1 1 14 12 0  o 327.4057 8.068055 1075.043   52.75936 1075.043   52.75936 1075.043   52.75936 327.4057 8.068055 327.4057 8.068055 -0.000000 0.000000 
1 1 1 14 12 1  o 356.8334 5.802886 1274.734   41.41326 1274.734   41.41326 ?          ?        356.8334 5.802886 ?        ?        ?         ?        
1 1 1 14 12 2  o 215.8683 4.467625 466.3247   19.28837 466.3247   19.28837 ?          ?        215.8683 4.467625 ?        ?        ?         ?        
1 1 1 14 12 3  o 30.23575 11.75623 5.673049   10.21149 5.673049   10.21149 ?          ?        30.23575 11.75623 ?        ?        ?         ?        
1 1 1 14 12 4  o 609.5770 9.864928 3727.194   120.2687 3727.194   120.2687 ?          ?        609.5770 9.864928 ?        ?        ?         ?        
1 1 1 14 12 5  o 464.9160 12.01928 2170.509   111.7591 2170.509   111.7591 ?          ?        464.9160 12.01928 ?        ?        ?         ?        
1 1 1 14 12 6  o 419.6900 10.27310 1764.886   86.23035 1764.886   86.23035 ?          ?        419.6900 10.27310 ?        ?        ?         ?        
1 1 1 14 12 7  o 232.5152 7.685566 541.2089   35.74022 541.2089   35.74022 ?          ?        232.5152 7.685566 ?        ?        ?         ?        
1 1 1 14 12 8  o 523.7896 14.94648 2755.968   156.5762 2755.968   156.5762 ?          ?        523.7896 14.94648 ?        ?        ?         ?        
1 1 1 14 12 9  o 143.2466 5.742492 205.3644   16.45185 205.3644   16.45185 ?          ?        143.2466 5.742492 ?        ?        ?         ?        
1 1 1 14 12 10 o 218.6611 6.875289 478.8054   30.06716 478.8054   30.06716 ?          ?        218.6611 6.875289 ?        ?        ?         ?        
1 1 1 14 12 11 o 204.0336 6.534054 416.9691   26.66333 416.9691   26.66333 ?          ?        204.0336 6.534054 ?        ?        ?         ?        
1 1 1 14 12 12 o 180.6057 6.439306 326.7676   23.25950 326.7676   23.25950 ?          ?        180.6057 6.439306 ?        ?        ?         ?        
1 1 1 14 12 13 o 125.3642 7.919199 157.7108   19.85567 157.7108   19.85567 ?          ?        125.3642 7.919199 ?        ?        ?         ?        
1 1 1 14 12 14 o 523.5628 13.59852 2786.035   142.3935 2786.035   142.3935 ?          ?        523.5628 13.59852 ?        ?        ?         ?        
1 1 1 14 12 15 o 221.5528 9.474167 496.3919   41.98057 496.3919   41.98057 ?          ?        221.5528 9.474167 ?        ?        ?         ?        
1 1 1 14 12 16 o 73.41400 11.20484 55.02858   16.45185 55.02858   16.45185 ?          ?        73.41400 11.20484 ?        ?        ?         ?        
1 1 1 14 12 17 o 257.7837 8.252631 676.2275   42.54787 676.2275   42.54787 ?          ?        257.7837 8.252631 ?        ?        ?         ?        
1 1 1 14 12 18 o 89.58358 8.865765 82.25922   15.88454 82.25922   15.88454 ?          ?        89.58358 8.865765 ?        ?        ?         ?        
1 1 1 14 13 0  o 29.99258 17.12164 11.91340   15.88454 11.91340   15.88454 11.91340   15.88454 29.99258 17.12164 29.99258 17.12164 -0.000000 0.000000 
1 1 1 14 13 1  o 267.4593 4.878504 715.9388   26.09603 715.9388   26.09603 ?          ?        267.4593 4.878504 ?        ?        ?         ?        
1 1 1 14 13 2  o 294.1776 5.110377 866.2746   30.06716 866.2746   30.06716 ?          ?        294.1776 5.110377 ?        ?        ?         ?        
1 1 1 14 13 3  o 89.33672 7.302716 79.99000   13.04801 79.99000   13.04801 ?          ?        89.33672 7.302716 ?        ?        ?         ?        
1 1 1 14 13 4  f 594.6684 9.015162 3544.521   107.2206 3544.521   107.2206 ?          ?        594.6684 9.015162 ?        ?        ?         ?        
1 1 1 14 13 5  o 314.9123 7.836392 993.3511   49.35553 993.3511   49.35553 ?          ?        314.9123 7.836392 ?        ?        ?         ?        
1 1 1 14 13 6  f 369.6357 9.055132 1368.340   66.94199 1368.340   66.94199 ?          ?        369.6357 9.055132 ?        ?        ?         ?        
1 1 1 14 13 7  o 380.8773 9.979443 1453.435   76.01886 1453.435   76.01886 ?          ?        380.8773 9.979443 ?        ?        ?         ?        
1 1 1 14 13 8  o 512.8094 14.60275 2640.804   149.7685 2640.804   149.7685 ?          ?        512.8094 14.60275 ?        ?        ?         ?        
1 1 1 14 13 9  o 47.56009 13.61596 23.25950   13.61532 23.25950   13.61532 ?          ?        47.56009 13.61596 ?        ?        ?         ?        
1 1 1 14 13 10 o 376.4204 9.946892 1421.099   74.88425 1421.099   74.88425 ?          ?        376.4204 9.946892 ?        ?        ?         ?        
1 1 1 14 13 11 o 220.9577 6.547080 489.0168   28.93255 489.0168   28.93255 ?          ?        220.9577 6.547080 ?        ?        ?         ?        
1 1 1 14 13 12 f 355.6167 8.773991 1269.061   62.40355 1269.061   62.40355 ?          ?        355.6167 8.773991 ?        ?        ?         ?        
1 1 1 14 13 13 o 41.21134 15.58031 12.48071   17.58645 12.48071   17.58645 ?          ?        41.21134 15.58031 ?        ?        ?         ?        
1 1 1 14 13 14 o 420.2779 12.28348 1790.415   103.2495 1790.415   103.2495 ?          ?        420.2779 12.28348 ?        ?        ?         ?        
1 1 1 14 13 15 o 231.0945 6.750870 537.2378   31.20177 537.2378   31.20177 ?          ?        231.0945 6.750870 ?        ?        ?         ?        
1 1 1 14 13 16 o 109.6608 7.501244 121.4033   16.45185 121.4033   16.45185 ?          ?        109.6608 7.501244 ?        ?        ?         ?        
1 1 1 14 13 17 o 70.57091 10.04849 51.05745   14.18262 51.05745   14.18262 ?          ?        70.57091 10.04849 ?        ?        ?         ?        
1 1 1 14 13 18 o 166.6081 9.363821 285.3544   31.20177 285.3544   31.20177 ?          ?        166.6081 9.363821 ?        ?        ?         ?        
1 1 1 14 14 0  o 119.8580 8.122098 145.7974   19.28837 145.7974   19.28837 145.7974   19.28837 119.8580 8.122098 119.8580 8.122098 -0.000000 0.000000 
1 1 1 14 14 1  o 108.0427 5.513283 116.8648   11.91340 116.8648   11.91340 ?          ?        108.0427 5.513283 ?        ?        ?         ?        
1 1 1 14 14 2  o 377.1351 6.092207 1424.503   45.95170 1424.503   45.95170 ?          ?        377.1351 6.092207 ?        ?        ?         ?        
1 1 1 14 14 3  o 311.3655 5.648170 970.6588   35.17290 970.6588   35.17290 ?          ?        311.3655 5.648170 ?        ?        ?         ?        
1 1 1 14 14 4  o 368.8797 8.996793 1363.801   66.37468 1363.801   66.37468 ?          ?        368.8797 8.996793 ?        ?        ?         ?        
1 1 1 14 14 5  o 55.37216 10.62431 31.76908   11.34610 31.76908   11.34610 ?          ?        55.37216 10.62431 ?        ?        ?         ?        
1 1 1 14 14 6  o 195.1957 5.667361 381.2289   22.12490 381.2289   22.12490 ?          ?        195.1957 5.667361 ?        ?        ?         ?        
1 1 1 14 14 7  o 583.4780 14.82729 3419.714   173.0280 3419.714   173.0280 ?          ?        583.4780 14.82729 ?        ?        ?         ?        
1 1 1 14 14 8  o 256.3766 7.744730 658.0737   39.71135 658.0737   39.71135 ?          ?        256.3766 7.744730 ?        ?        ?         ?        
1 1 1 14 14 9  o 315.5002 11.95745 999.0241   75.45156 999.0241   75.45156 ?          ?        315.5002 11.95745 ?        ?        ?         ?        
1 1 1 14 14 10 o 256.3138 7.525296 658.0737   38.57674 658.0737   38.57674 ?          ?        256.3138 7.525296 ?        ?        ?         ?        
1 1 1 14 14 11 o 357.9328 10.69840 1286.648   76.58617 1286.648   76.58617 ?          ?        357.9328 10.69840 ?        ?        ?         ?        
1 1 1 14 14 12 o 223.7843 7.351655 502.0649   32.90369 502.0649   32.90369 ?          ?        223.7843 7.351655 ?        ?        ?         ?        
1 1 1 14 14 13 o 75.07692 10.20103 56.73050   15.31723 56.73050   15.31723 ?          ?        75.07692 10.20103 ?        ?        ?         ?        
1 1 1 14 14 14 o 265.9446 8.106046 711.4004   43.11518 711.4004   43.11518 ?          ?        265.9446 8.106046 ?        ?        ?         ?        
1 1 1 14 14 15 o 25.54574 11.52672 -6.240355  12.48071 -6.240355  12.48071 ?          ?        25.54574 11.52672 ?        ?        ?         ?        
1 1 1 14 14 16 o 78.96441 7.543528 62.97085   11.91340 62.97085   11.91340 ?          ?        78.96441 7.543528 ?        ?        ?         ?        
1 1 1 14 14 17 o 84.41222 6.720649 72.04772   11.34610 72.04772   11.34610 ?          ?        84.41222 6.720649 ?        ?        ?         ?        
1 1 1 14 14 18 f 49.46543 19.04542 21.55759   26.66333 21.55759   26.66333 ?          ?        49.46543 19.04542 ?        ?        ?         ?        
1 1 1 14 15 0  o 214.3113 7.031447 461.2190   30.06716 461.2190   30.06716 461.2190   30.06716 214.3113 7.031447 214.3113 7.031447 -0.000000 0.000000 
1 1 1 14 15 1  o 310.7448 5.203045 966.6876   32.33638 966.6876   32.33638 ?          ?        310.7448 5.203045 ?        ?        ?         ?        
1 1 1 14 15 2  o 407.8948 6.467276 1666.742   52.75936 1666.742   52.75936 ?          ?        407.8948 6.467276 ?        ?        ?         ?        
1 1 1 14 15 3  o 263.2990 4.955588 693.8140   26.09603 693.8140   26.09603 ?          ?        263.2990 4.955588 ?        ?        ?         ?        
1 1 1 14 15 4  o 276.4345 7.182776 765.2943   39.71135 765.2943   39.71135 ?          ?        276.4345 7.182776 ?        ?        ?         ?        
1 1 1 14 15 5  o 198.4981 5.573076 394.2770   22.12490 394.2770   22.12490 ?          ?        198.4981 5.573076 ?        ?        ?         ?        
1 1 1 14 15 6  o 604.1577 14.13197 3662.521   170.7588 3662.521   170.7588 ?          ?        604.1577 14.13197 ?        ?        ?         ?        
1 1 1 14 15 7  o 615.6967 15.57172 3810.588   191.7491 3810.588   191.7491 ?          ?        615.6967 15.57172 ?        ?        ?         ?        
1 1 1 14 15 8  o 144.4003 7.660960 208.7682   22.12490 208.7682   22.12490 ?          ?        144.4003 7.660960 ?        ?        ?         ?        
1 1 1 14 15 9  o 451.9226 20.58716 2064.990   186.0760 2064.990   186.0760 ?          ?        451.9226 20.58716 ?        ?        ?         ?        
1 1 1 14 15 10 o 423.6833 19.95086 1816.511   169.0569 1816.511   169.0569 ?          ?        423.6833 19.95086 ?        ?        ?         ?        
1 1 1 14 15 11 o 82.69134 10.29077 68.64390   17.01915 68.64390   17.01915 ?          ?        82.69134 10.29077 ?        ?        ?         ?        
1 1 1 14 15 12 o 310.6207 9.588386 968.9568   59.56702 968.9568   59.56702 ?          ?        310.6207 9.588386 ?        ?        ?         ?        
1 1 1 14 15 13 o 56.37874 14.10773 33.47099   15.88454 33.47099   15.88454 ?          ?        56.37874 14.10773 ?        ?        ?         ?        
1 1 1 14 15 14 o 179.9660 6.462193 325.0657   23.25950 325.0657   23.25950 ?          ?        179.9660 6.462193 ?        ?        ?         ?        
1 1 1 14 15 15 o 149.2977 6.079718 224.0854   18.15376 224.0854   18.15376 ?          ?        149.2977 6.079718 ?        ?        ?         ?        
1 1 1 14 15 16 o 139.2589 5.906928 195.1529   16.45185 195.1529   16.45185 ?          ?        139.2589 5.906928 ?        ?        ?         ?        
1 1 1 14 15 17 o 62.64545 17.75260 43.68248   23.25950 43.68248   23.25950 ?          ?        62.64545 17.75260 ?        ?        ?         ?        
1 1 1 14 15 18 o 58.16106 18.59385 38.00943   24.39412 38.00943   24.39412 ?          ?        58.16106 18.59385 ?        ?        ?         ?        
1 1 1 14 16 0  o 261.3422 8.048531 685.8717   41.98057 685.8717   41.98057 685.8717   41.98057 261.3422 8.048531 261.3422 8.048531 -0.000000 0.000000 
1 1 1 14 16 1  o 232.6486 4.755002 541.7762   22.12490 541.7762   22.12490 ?          ?        232.6486 4.755002 ?        ?        ?         ?        
1 1 1 14 16 2  o 206.1330 5.917080 425.4788   24.39412 425.4788   24.39412 ?          ?        206.1330 5.917080 ?        ?        ?         ?        
1 1 1 14 16 3  o 325.1818 6.193251 1058.591   40.27865 1058.591   40.27865 ?          ?        325.1818 6.193251 ?        ?        ?         ?        
1 1 1 14 16 4  o 131.7047 5.168882 173.5953   13.61532 173.5953   13.61532 ?          ?        131.7047 5.168882 ?        ?        ?         ?        
1 1 1 14 16 5  o 352.5424 8.609124 1244.667   60.70163 1244.667   60.70163 ?          ?        352.5424 8.609124 ?        ?        ?         ?        
1 1 1 14 16 6  o 151.1510 6.380495 228.6239   19.28837 228.6239   19.28837 ?          ?        151.1510 6.380495 ?        ?        ?         ?        
1 1 1 14 16 7  o 27.74970 12.52551 -7.942269  14.74993 -7.942269  14.74993 ?          ?        27.74970 12.52551 ?        ?        ?         ?        
1 1 1 14 16 8  f 341.8959 9.955749 1171.485   68.07660 1171.485   68.07660 ?          ?        341.8959 9.955749 ?        ?        ?         ?        
1 1 1 14 16 9  o 359.0574 11.61288 1294.023   83.39383 1294.023   83.39383 ?          ?        359.0574 11.61288 ?        ?        ?         ?        
1 1 1 14 16 10 o 454.8198 16.52696 2085.980   150.3358 2085.980   150.3358 ?          ?        454.8198 16.52696 ?        ?        ?         ?        
1 1 1 14 16 11 o 347.6275 8.730845 1211.763   60.70163 1211.763   60.70163 ?          ?        347.6275 8.730845 ?        ?        ?         ?        
1 1 1 14 16 12 o 179.2874 7.435918 322.2292   26.66333 322.2292   26.66333 ?          ?        179.2874 7.435918 ?        ?        ?         ?        
1 1 1 14 16 13 o 176.2123 6.599852 311.4504   23.25950 311.4504   23.25950 ?          ?        176.2123 6.599852 ?        ?        ?         ?        
1 1 1 14 16 14 f 193.9922 6.579831 377.8251   25.52872 377.8251   25.52872 ?          ?        193.9922 6.579831 ?        ?        ?         ?        
1 1 1 14 16 15 o 161.9471 6.305446 263.7968   20.42298 263.7968   20.42298 ?          ?        161.9471 6.305446 ?        ?        ?         ?        
1 1 1 14 16 16 o 93.07047 6.704979 87.36497   12.48071 87.36497   12.48071 ?          ?        93.07047 6.704979 ?        ?        ?         ?        
1 1 1 14 16 17 f 132.1552 10.51716 179.8357   27.79794 179.8357   27.79794 ?          ?        132.1552 10.51716 ?        ?        ?         ?        
1 1 1 14 16 18 o 56.77039 19.04830 35.74022   25.52872 35.74022   25.52872 ?          ?        56.77039 19.04830 ?        ?        ?         ?        
1 1 1 14 17 0  o 62.81892 20.47430 50.49014   22.69220 50.49014   22.69220 50.49014   22.69220 62.81892 20.47430 62.81892 20.47430 -0.000000 0.000000 
1 1 1 14 17 1  o 502.1233 10.90269 2533.017   109.4899 2533.017   109.4899 ?          ?        502.1233 10.90269 ?        ?        ?         ?        
1 1 1 14 17 2  o 166.6530 5.276370 277.9794   17.58645 277.9794   17.58645 ?          ?        166.6530 5.276370 ?        ?        ?         ?        
1 1 1 14 17 3  o 427.0567 10.09589 1828.991   86.23035 1828.991   86.23035 ?          ?        427.0567 10.09589 ?        ?        ?         ?        
1 1 1 14 17 4  o 131.4771 6.040798 173.0280   15.88454 173.0280   15.88454 ?          ?        131.4771 6.040798 ?        ?        ?         ?        
1 1 1 14 17 5  o 161.8520 5.257627 262.0949   17.01915 262.0949   17.01915 ?          ?        161.8520 5.257627 ?        ?        ?         ?        
1 1 1 14 17 6  o 810.7175 17.24900 6606.834   279.6813 6606.834   279.6813 ?          ?        810.7175 17.24900 ?        ?        ?         ?        
1 1 1 14 17 7  o 288.0290 7.189078 830.5344   41.41326 830.5344   41.41326 ?          ?        288.0290 7.189078 ?        ?        ?         ?        
1 1 1 14 17 8  o 199.8880 6.527664 399.9500   26.09603 399.9500   26.09603 ?          ?        199.8880 6.527664 ?        ?        ?         ?        
1 1 1 14 17 9  o 210.7377 7.133789 444.7671   30.06716 444.7671   30.06716 ?          ?        210.7377 7.133789 ?        ?        ?         ?        
1 1 1 14 17 10 o 119.9227 7.805470 144.0954   18.72106 144.0954   18.72106 ?          ?        119.9227 7.805470 ?        ?        ?         ?        
1 1 1 14 17 11 o 157.8603 6.828059 249.6142   21.55759 249.6142   21.55759 ?          ?        157.8603 6.828059 ?        ?        ?         ?        
1 1 1 14 17 12 o 163.6370 6.933702 268.3353   22.69220 268.3353   22.69220 ?          ?        163.6370 6.933702 ?        ?        ?         ?        
1 1 1 14 17 13 o 420.0562 12.28996 1783.039   103.2495 1783.039   103.2495 ?          ?        420.0562 12.28996 ?        ?        ?         ?        
1 1 1 14 17 14 o 433.9151 11.50521 1908.414   99.84568 1908.414   99.84568 ?          ?        433.9151 11.50521 ?        ?        ?         ?        
1 1 1 14 17 15 o 65.26245 9.127304 43.11518   11.91340 43.11518   11.91340 ?          ?        65.26245 9.127304 ?        ?        ?         ?        
1 1 1 14 17 16 o 83.51521 6.453193 70.34581   10.77879 70.34581   10.77879 ?          ?        83.51521 6.453193 ?        ?        ?         ?        
1 1 1 14 17 17 o 33.15829 15.37947 -17.58645  24.39412 -17.58645  24.39412 ?          ?        33.15829 15.37947 ?        ?        ?         ?        
1 1 1 14 17 18 o 153.9857 9.762972 245.0758   30.06716 245.0758   30.06716 ?          ?        153.9857 9.762972 ?        ?        ?         ?        
1 1 1 14 18 0  o 535.5577 11.98319 2879.640   128.2109 2879.640   128.2109 2879.640   128.2109 535.5577 11.98319 535.5577 11.98319 -0.000000 0.000000 
1 1 1 14 18 1  o 479.9087 7.920138 2307.796   76.01886 2307.796   76.01886 ?          ?        479.9087 7.920138 ?        ?        ?         ?        
1 1 1 14 18 2  o 638.9895 9.588411 4093.673   122.5379 4093.673   122.5379 ?          ?        638.9895 9.588411 ?        ?        ?         ?        
1 1 1 14 18 3  o 142.6632 4.771841 203.6625   13.61532 203.6625   13.61532 ?          ?        142.6632 4.771841 ?        ?        ?         ?        
1 1 1 14 18 4  f 481.3641 10.72468 2323.114   103.2495 2323.114   103.2495 ?          ?        481.3641 10.72468 ?        ?        ?         ?        
1 1 1 14 18 5  o 371.4290 8.553203 1381.388   63.53815 1381.388   63.53815 ?          ?        371.4290 8.553203 ?        ?        ?         ?        
1 1 1 14 18 6  o 286.5572 7.522962 822.0249   43.11518 822.0249   43.11518 ?          ?        286.5572 7.522962 ?        ?        ?         ?        
1 1 1 14 18 7  o 199.0686 5.699593 396.5462   22.69220 396.5462   22.69220 ?          ?        199.0686 5.699593 ?        ?        ?         ?        
1 1 1 14 18 8  o 459.7603 10.98184 2120.019   100.9803 2120.019   100.9803 ?          ?        459.7603 10.98184 ?        ?        ?         ?        
1 1 1 14 18 9  o 408.8765 10.61417 1677.521   86.79766 1677.521   86.79766 ?          ?        408.8765 10.61417 ?        ?        ?         ?        
1 1 1 14 18 10 o 509.8982 14.57486 2618.680   148.6339 2618.680   148.6339 ?          ?        509.8982 14.57486 ?        ?        ?         ?        
1 1 1 14 18 11 o 293.7818 9.172451 865.7074   53.89397 865.7074   53.89397 ?          ?        293.7818 9.172451 ?        ?        ?         ?        
1 1 1 14 18 12 o 385.2975 10.38029 1492.012   79.99000 1492.012   79.99000 ?          ?        385.2975 10.38029 ?        ?        ?         ?        
1 1 1 14 18 13 o 405.5089 12.17126 1661.069   98.71106 1661.069   98.71106 ?          ?        405.5089 12.17126 ?        ?        ?         ?        
1 1 1 14 18 14 o 106.1718 7.480581 113.4610   15.88454 113.4610   15.88454 ?          ?        106.1718 7.480581 ?        ?        ?         ?        
1 1 1 14 18 15 o 66.96919 8.894690 45.38440   11.91340 45.38440   11.91340 ?          ?        66.96919 8.894690 ?        ?        ?         ?        
1 1 1 14 18 16 o 29.76391 11.45540 6.240355   9.644185 6.240355   9.644185 ?          ?        29.76391 11.45540 ?        ?        ?         ?        
1 1 1 14 18 17 o 53.44598 18.97572 28.93255   25.52872 28.93255   25.52872 ?          ?        53.44598 18.97572 ?        ?        ?         ?        
1 1 1 14 18 18 o 248.5170 10.15829 639.9200   50.49014 639.9200   50.49014 ?          ?        248.5170 10.15829 ?        ?        ?         ?        
1 1 1 14 19 0  o 106.2114 8.657953 115.1629   18.15376 115.1629   18.15376 115.1629   18.15376 106.2114 8.657953 106.2114 8.657953 -0.000000 0.000000 
1 1 1 14 19 1  o 204.8237 4.847016 419.8057   19.85567 419.8057   19.85567 ?          ?        204.8237 4.847016 ?        ?        ?         ?        
1 1 1 14 19 2  o 392.7175 8.378462 1545.339   65.80738 1545.339   65.80738 ?          ?        392.7175 8.378462 ?        ?        ?         ?        
1 1 1 14 19 3  o 171.1923 5.302154 293.2967   18.15376 293.2967   18.15376 ?          ?        171.1923 5.302154 ?        ?        ?         ?        
1 1 1 14 19 4  o 204.9611 5.812519 420.3730   23.82681 420.3730   23.82681 ?          ?        204.9611 5.812519 ?        ?        ?         ?        
1 1 1 14 19 5  f 43.54054 12.82544 19.28837   11.91340 19.28837   11.91340 ?          ?        43.54054 12.82544 ?        ?        ?         ?        
1 1 1 14 19 6  o 510.9208 11.99187 2618.112   122.5379 2618.112   122.5379 ?          ?        510.9208 11.99187 ?        ?        ?         ?        
1 1 1 14 19 7  o 207.0305 5.617411 428.8826   23.25950 428.8826   23.25950 ?          ?        207.0305 5.617411 ?        ?        ?         ?        
1 1 1 14 19 8  o 259.8951 6.766750 676.2275   35.17290 676.2275   35.17290 ?          ?        259.8951 6.766750 ?        ?        ?         ?        
1 1 1 14 19 9  o 379.5462 9.341830 1444.359   70.91312 1444.359   70.91312 ?          ?        379.5462 9.341830 ?        ?        ?         ?        
1 1 1 14 19 10 o 385.3822 10.30441 1490.877   79.42269 1490.877   79.42269 ?          ?        385.3822 10.30441 ?        ?        ?         ?        
1 1 1 14 19 11 o 412.7021 10.99689 1710.992   90.76879 1710.992   90.76879 ?          ?        412.7021 10.99689 ?        ?        ?         ?        
1 1 1 14 19 12 f 257.3698 7.494420 664.3141   38.57674 664.3141   38.57674 ?          ?        257.3698 7.494420 ?        ?        ?         ?        
1 1 1 14 19 13 o 148.1083 7.086125 220.1143   20.99029 220.1143   20.99029 ?          ?        148.1083 7.086125 ?        ?        ?         ?        
1 1 1 14 19 14 o 62.65655 12.66625 41.41326   15.31723 41.41326   15.31723 ?          ?        62.65655 12.66625 ?        ?        ?         ?        
1 1 1 14 19 15 o 142.4818 6.171472 204.2298   17.58645 204.2298   17.58645 ?          ?        142.4818 6.171472 ?        ?        ?         ?        
1 1 1 14 19 16 o 127.3369 5.791694 163.3838   14.74993 163.3838   14.74993 ?          ?        127.3369 5.791694 ?        ?        ?         ?        
1 1 1 14 19 17 o 98.69113 13.22106 102.1149   26.09603 102.1149   26.09603 ?          ?        98.69113 13.22106 ?        ?        ?         ?        
1 1 1 14 19 18 o 139.6545 10.56173 202.5279   29.49986 202.5279   29.49986 ?          ?        139.6545 10.56173 ?        ?        ?         ?        
1 1 1 14 20 0  o 92.37975 11.00875 89.06688   19.85567 89.06688   19.85567 89.06688   19.85567 92.37975 11.00875 92.37975 11.00875 -0.000000 0.000000 
1 1 1 14 20 1  o 153.9332 5.159556 237.1335   15.88454 237.1335   15.88454 ?          ?        153.9332 5.159556 ?        ?        ?         ?        
1 1 1 14 20 2  o 618.4705 12.47488 3842.356   154.3070 3842.356   154.3070 ?          ?        618.4705 12.47488 ?        ?        ?         ?        
1 1 1 14 20 3  o 136.9778 5.798217 187.7779   15.88454 187.7779   15.88454 ?          ?        136.9778 5.798217 ?        ?        ?         ?        
1 1 1 14 20 4  o 150.2205 5.475901 225.7874   16.45185 225.7874   16.45185 ?          ?        150.2205 5.475901 ?        ?        ?         ?        
1 1 1 14 20 5  o 429.6662 10.23263 1849.414   87.93227 1849.414   87.93227 ?          ?        429.6662 10.23263 ?        ?        ?         ?        
1 1 1 14 20 6  o 246.2485 6.911373 607.0163   34.03830 607.0163   34.03830 ?          ?        246.2485 6.911373 ?        ?        ?         ?        
1 1 1 14 20 7  o 342.6336 7.864666 1175.456   53.89397 1175.456   53.89397 ?          ?        342.6336 7.864666 ?        ?        ?         ?        
1 1 1 14 20 8  o 204.1059 5.975848 416.9691   24.39412 416.9691   24.39412 ?          ?        204.1059 5.975848 ?        ?        ?         ?        
1 1 1 14 20 9  o 163.0091 6.612390 266.0660   21.55759 266.0660   21.55759 ?          ?        163.0091 6.612390 ?        ?        ?         ?        
1 1 1 14 20 10 o 559.8619 14.33812 3158.754   160.5473 3158.754   160.5473 ?          ?        559.8619 14.33812 ?        ?        ?         ?        
1 1 1 14 20 11 o 175.7658 8.069045 309.7485   28.36525 309.7485   28.36525 ?          ?        175.7658 8.069045 ?        ?        ?         ?        
1 1 1 14 20 12 o 420.1691 12.15164 1779.636   102.1149 1779.636   102.1149 ?          ?        420.1691 12.15164 ?        ?        ?         ?        
1 1 1 14 20 13 f 29.14439 13.08432 -7.374964  15.88454 -7.374964  15.88454 ?          ?        29.14439 13.08432 ?        ?        ?         ?        
1 1 1 14 20 14 o 244.7600 7.301074 603.0452   35.74022 603.0452   35.74022 ?          ?        244.7600 7.301074 ?        ?        ?         ?        
1 1 1 14 20 15 o 93.06288 7.315118 87.36497   13.61532 87.36497   13.61532 ?          ?        93.06288 7.315118 ?        ?        ?         ?        
1 1 1 14 20 16 o 147.4294 5.771964 218.9797   17.01915 218.9797   17.01915 ?          ?        147.4294 5.771964 ?        ?        ?         ?        
1 1 1 14 20 17 o 81.46426 15.18960 72.61504   23.82681 72.61504   23.82681 ?          ?        81.46426 15.18960 ?        ?        ?         ?        
1 1 1 14 21 0  o 110.4556 13.42576 127.6436   28.93255 127.6436   28.93255 127.6436   28.93255 110.4556 13.42576 110.4556 13.42576 -0.000000 0.000000 
1 1 1 14 21 1  o 325.4737 7.059204 1060.860   45.95170 1060.860   45.95170 ?          ?        325.4737 7.059204 ?        ?        ?         ?        
1 1 1 14 21 2  o 232.7880 5.605105 542.3435   26.09603 542.3435   26.09603 ?          ?        232.7880 5.605105 ?        ?        ?         ?        
1 1 1 14 21 3  o 412.7105 8.659874 1705.886   71.48043 1705.886   71.48043 ?          ?        412.7105 8.659874 ?        ?        ?         ?        
1 1 1 14 21 4  o 393.0176 8.227718 1546.474   64.67276 1546.474   64.67276 ?          ?        393.0176 8.227718 ?        ?        ?         ?        
1 1 1 14 21 5  o 502.6433 11.96362 2533.017   120.2687 2533.017   120.2687 ?          ?        502.6433 11.96362 ?        ?        ?         ?        
1 1 1 14 21 6  o 246.1498 6.453199 606.4490   31.76908 606.4490   31.76908 ?          ?        246.1498 6.453199 ?        ?        ?         ?        
1 1 1 14 21 7  o 388.2289 9.425153 1510.166   73.18234 1510.166   73.18234 ?          ?        388.2289 9.425153 ?        ?        ?         ?        
1 1 1 14 21 8  o 234.5756 6.408844 550.8531   30.06716 550.8531   30.06716 ?          ?        234.5756 6.408844 ?        ?        ?         ?        
1 1 1 14 21 9  o 584.6594 14.84585 3440.705   173.5953 3440.705   173.5953 ?          ?        584.6594 14.84585 ?        ?        ?         ?        
1 1 1 14 21 10 o 410.0916 10.99772 1689.434   90.20149 1689.434   90.20149 ?          ?        410.0916 10.99772 ?        ?        ?         ?        
1 1 1 14 21 11 f 621.0048 15.89538 3899.655   197.4221 3899.655   197.4221 ?          ?        621.0048 15.89538 ?        ?        ?         ?        
1 1 1 14 21 12 o 496.0548 15.89651 2495.007   157.7108 2495.007   157.7108 ?          ?        496.0548 15.89651 ?        ?        ?         ?        
1 1 1 14 21 13 o 229.7567 7.777839 530.4301   35.74022 530.4301   35.74022 ?          ?        229.7567 7.777839 ?        ?        ?         ?        
1 1 1 14 21 14 o 149.6483 6.823660 225.2201   20.42298 225.2201   20.42298 ?          ?        149.6483 6.823660 ?        ?        ?         ?        
1 1 1 14 21 15 o 107.7186 6.583182 116.8648   14.18262 116.8648   14.18262 ?          ?        107.7186 6.583182 ?        ?        ?         ?        
1 1 1 14 21 16 o 149.4772 5.882652 225.2201   17.58645 225.2201   17.58645 ?          ?        149.4772 5.882652 ?        ?        ?         ?        
1 1 1 14 21 17 o 35.36178 15.67883 -4.538440  22.12490 -4.538440  22.12490 ?          ?        35.36178 15.67883 ?        ?        ?         ?        
1 1 1 14 22 0  o 280.6923 9.319562 791.3904   52.19205 791.3904   52.19205 791.3904   52.19205 280.6923 9.319562 280.6923 9.319562 -0.000000 0.000000 
1 1 1 14 22 1  o 281.7780 6.341911 794.7943   35.74022 794.7943   35.74022 ?          ?        281.7780 6.341911 ?        ?        ?         ?        
1 1 1 14 22 2  o 417.7539 9.302220 1748.434   77.72078 1748.434   77.72078 ?          ?        417.7539 9.302220 ?        ?        ?         ?        
1 1 1 14 22 3  o 427.8215 8.818113 1832.962   75.45156 1832.962   75.45156 ?          ?        427.8215 8.818113 ?        ?        ?         ?        
1 1 1 14 22 4  o 477.1552 11.29485 2281.700   107.7879 2281.700   107.7879 ?          ?        477.1552 11.29485 ?        ?        ?         ?        
1 1 1 14 22 5  o 408.1976 10.00642 1669.578   81.69191 1669.578   81.69191 ?          ?        408.1976 10.00642 ?        ?        ?         ?        
1 1 1 14 22 6  o 313.3134 8.600649 983.1396   53.89397 983.1396   53.89397 ?          ?        313.3134 8.600649 ?        ?        ?         ?        
1 1 1 14 22 7  o 305.4515 7.800520 934.3513   47.65361 934.3513   47.65361 ?          ?        305.4515 7.800520 ?        ?        ?         ?        
1 1 1 14 22 8  o 152.4286 6.140927 232.5950   18.72106 232.5950   18.72106 ?          ?        152.4286 6.140927 ?        ?        ?         ?        
1 1 1 14 22 9  o 127.7233 7.106675 163.3838   18.15376 163.3838   18.15376 ?          ?        127.7233 7.106675 ?        ?        ?         ?        
1 1 1 14 22 10 o 529.1056 12.70552 2816.102   134.4513 2816.102   134.4513 ?          ?        529.1056 12.70552 ?        ?        ?         ?        
1 1 1 14 22 11 o 56.48175 13.68397 33.47099   15.31723 33.47099   15.31723 ?          ?        56.48175 13.68397 ?        ?        ?         ?        
1 1 1 14 22 12 o 167.4716 7.452433 281.3832   24.96142 281.3832   24.96142 ?          ?        167.4716 7.452433 ?        ?        ?         ?        
1 1 1 14 22 13 o 132.4768 7.708134 176.4319   20.42298 176.4319   20.42298 ?          ?        132.4768 7.708134 ?        ?        ?         ?        
1 1 1 14 22 14 o 153.1809 6.851467 235.9989   20.99029 235.9989   20.99029 ?          ?        153.1809 6.851467 ?        ?        ?         ?        
1 1 1 14 22 15 o 88.33033 8.028173 78.85539   14.18262 78.85539   14.18262 ?          ?        88.33033 8.028173 ?        ?        ?         ?        
1 1 1 14 22 16 o 148.8442 5.907671 223.5181   17.58645 223.5181   17.58645 ?          ?        148.8442 5.907671 ?        ?        ?         ?        
1 1 1 14 22 17 o 130.5077 10.64993 176.4319   27.79794 176.4319   27.79794 ?          ?        130.5077 10.64993 ?        ?        ?         ?        
1 1 1 14 23 0  f 269.1288 8.874488 727.2849   47.65361 727.2849   47.65361 727.2849   47.65361 269.1288 8.874488 269.1288 8.874488 -0.000000 0.000000 
1 1 1 14 23 1  o 289.3029 7.353516 837.9094   42.54787 837.9094   42.54787 ?          ?        289.3029 7.353516 ?        ?        ?         ?        
1 1 1 14 23 2  o 235.7126 5.776237 555.9589   27.23064 555.9589   27.23064 ?          ?        235.7126 5.776237 ?        ?        ?         ?        
1 1 1 14 23 3  f 345.0181 8.550236 1191.908   58.99971 1191.908   58.99971 ?          ?        345.0181 8.550236 ?        ?        ?         ?        
1 1 1 14 23 4  o 252.8739 6.505947 639.9200   32.90369 639.9200   32.90369 ?          ?        252.8739 6.505947 ?        ?        ?         ?        
1 1 1 14 23 5  o 474.0959 11.30791 2253.903   107.2206 2253.903   107.2206 ?          ?        474.0959 11.30791 ?        ?        ?         ?        
1 1 1 14 23 6  o 229.1131 6.190230 525.3243   28.36525 525.3243   28.36525 ?          ?        229.1131 6.190230 ?        ?        ?         ?        
1 1 1 14 23 7  o 404.0037 10.53156 1636.675   85.09574 1636.675   85.09574 ?          ?        404.0037 10.53156 ?        ?        ?         ?        
1 1 1 14 23 8  o 280.2236 8.199115 786.8520   45.95170 786.8520   45.95170 ?          ?        280.2236 8.199115 ?        ?        ?         ?        
1 1 1 14 23 9  o 277.2293 7.162185 769.8329   39.71135 769.8329   39.71135 ?          ?        277.2293 7.162185 ?        ?        ?         ?        
1 1 1 14 23 10 o 443.0215 10.75650 1970.817   95.30723 1970.817   95.30723 ?          ?        443.0215 10.75650 ?        ?        ?         ?        
1 1 1 14 23 11 o 251.1229 6.890172 631.9777   34.60560 631.9777   34.60560 ?          ?        251.1229 6.890172 ?        ?        ?         ?        
1 1 1 14 23 12 o 88.77386 10.86377 79.42269   19.28837 79.42269   19.28837 ?          ?        88.77386 10.86377 ?        ?        ?         ?        
1 1 1 14 23 13 o 327.5883 11.51622 1085.822   75.45156 1085.822   75.45156 ?          ?        327.5883 11.51622 ?        ?        ?         ?        
1 1 1 14 23 14 o 208.0613 8.316203 436.8248   34.60560 436.8248   34.60560 ?          ?        208.0613 8.316203 ?        ?        ?         ?        
1 1 1 14 23 15 o 275.6159 8.439100 768.6982   46.51900 768.6982   46.51900 ?          ?        275.6159 8.439100 ?        ?        ?         ?        
1 1 1 14 23 16 o 190.4472 6.255491 366.4790   23.82681 366.4790   23.82681 ?          ?        190.4472 6.255491 ?        ?        ?         ?        
1 1 1 14 23 17 o 40.10878 17.84108 -5.105744  28.93255 -5.105744  28.93255 ?          ?        40.10878 17.84108 ?        ?        ?         ?        
1 1 1 14 24 0  o 558.4528 16.18202 3134.360   180.4030 3134.360   180.4030 3134.360   180.4030 558.4528 16.18202 558.4528 16.18202 -0.000000 0.000000 
1 1 1 14 24 1  o 307.6710 6.637928 947.3992   40.84595 947.3992   40.84595 ?          ?        307.6710 6.637928 ?        ?        ?         ?        
1 1 1 14 24 2  o 389.3238 8.160066 1517.541   63.53815 1517.541   63.53815 ?          ?        389.3238 8.160066 ?        ?        ?         ?        
1 1 1 14 24 3  o 170.8841 5.477709 292.1620   18.72106 292.1620   18.72106 ?          ?        170.8841 5.477709 ?        ?        ?         ?        
1 1 1 14 24 4  o 236.5443 6.115673 559.9300   28.93255 559.9300   28.93255 ?          ?        236.5443 6.115673 ?        ?        ?         ?        
1 1 1 14 24 5  o 577.8716 13.54766 3352.772   156.5762 3352.772   156.5762 ?          ?        577.8716 13.54766 ?        ?        ?         ?        
1 1 1 14 24 6  o 536.6116 12.73924 2889.284   136.7205 2889.284   136.7205 ?          ?        536.6116 12.73924 ?        ?        ?         ?        
1 1 1 14 24 7  o 135.2985 6.289483 183.2395   17.01915 183.2395   17.01915 ?          ?        135.2985 6.289483 ?        ?        ?         ?        
1 1 1 14 24 8  o 344.4904 8.069295 1189.071   55.59589 1189.071   55.59589 ?          ?        344.4904 8.069295 ?        ?        ?         ?        
1 1 1 14 24 9  f 495.0839 13.97969 2467.777   138.4224 2467.777   138.4224 ?          ?        495.0839 13.97969 ?        ?        ?         ?        
1 1 1 14 24 10 o 99.77415 9.097426 99.84568   18.15376 99.84568   18.15376 ?          ?        99.77415 9.097426 ?        ?        ?         ?        
1 1 1 14 24 11 o 130.2818 7.838002 170.1915   20.42298 170.1915   20.42298 ?          ?        130.2818 7.838002 ?        ?        ?         ?        
1 1 1 14 24 12 o 309.5294 7.789393 962.1492   48.22092 962.1492   48.22092 ?          ?        309.5294 7.789393 ?        ?        ?         ?        
1 1 1 14 24 13 f 172.6137 7.723412 299.5370   26.66333 299.5370   26.66333 ?          ?        172.6137 7.723412 ?        ?        ?         ?        
1 1 1 14 24 14 o 245.2646 7.979963 607.0163   39.14404 607.0163   39.14404 ?          ?        245.2646 7.979963 ?        ?        ?         ?        
1 1 1 14 24 15 o 72.42657 9.791037 53.32666   14.18262 53.32666   14.18262 ?          ?        72.42657 9.791037 ?        ?        ?         ?        
1 1 1 14 24 16 f 214.1525 6.887582 464.0555   29.49986 464.0555   29.49986 ?          ?        214.1525 6.887582 ?        ?        ?         ?        
1 1 1 14 24 17 o 154.3141 11.02890 247.3450   34.03830 247.3450   34.03830 ?          ?        154.3141 11.02890 ?        ?        ?         ?        
1 1 1 14 25 0  o 563.3906 16.19103 3189.389   182.1049 3189.389   182.1049 3189.389   182.1049 563.3906 16.19103 563.3906 16.19103 -0.000000 0.000000 
1 1 1 14 25 1  o 387.9150 8.628435 1506.762   66.94199 1506.762   66.94199 ?          ?        387.9150 8.628435 ?        ?        ?         ?        
1 1 1 14 25 2  f 694.3929 16.29875 4843.650   226.3547 4843.650   226.3547 ?          ?        694.3929 16.29875 ?        ?        ?         ?        
1 1 1 14 25 3  o 168.8789 5.542748 285.3544   18.72106 285.3544   18.72106 ?          ?        168.8789 5.542748 ?        ?        ?         ?        
1 1 1 14 25 4  o 813.8017 18.85668 6672.641   306.9120 6672.641   306.9120 ?          ?        813.8017 18.85668 ?        ?        ?         ?        
1 1 1 14 25 5  o 260.9999 7.064144 681.9006   36.87482 681.9006   36.87482 ?          ?        260.9999 7.064144 ?        ?        ?         ?        
1 1 1 14 25 6  o 594.5128 15.12463 3553.031   179.8357 3553.031   179.8357 ?          ?        594.5128 15.12463 ?        ?        ?         ?        
1 1 1 14 25 7  o 322.4503 8.181006 1041.572   52.75936 1041.572   52.75936 ?          ?        322.4503 8.181006 ?        ?        ?         ?        
1 1 1 14 25 8  o 249.7482 6.814525 624.6028   34.03830 624.6028   34.03830 ?          ?        249.7482 6.814525 ?        ?        ?         ?        
1 1 1 14 25 9  f 64.14823 14.49069 43.11518   18.15376 43.11518   18.15376 ?          ?        64.14823 14.49069 ?        ?        ?         ?        
1 1 1 14 25 10 o 373.7076 8.804660 1400.676   65.80738 1400.676   65.80738 ?          ?        373.7076 8.804660 ?        ?        ?         ?        
1 1 1 14 25 11 o 197.9161 6.736020 392.5750   26.66333 392.5750   26.66333 ?          ?        197.9161 6.736020 ?        ?        ?         ?        
1 1 1 14 25 12 o 318.7201 7.742771 1020.014   49.35553 1020.014   49.35553 ?          ?        318.7201 7.742771 ?        ?        ?         ?        
1 1 1 14 25 13 o 195.5691 7.397016 384.6328   28.93255 384.6328   28.93255 ?          ?        195.5691 7.397016 ?        ?        ?         ?        
1 1 1 14 25 14 o 90.34209 10.04723 82.82652   18.15376 82.82652   18.15376 ?          ?        90.34209 10.04723 ?        ?        ?         ?        
1 1 1 14 25 15 o 123.6786 6.880394 154.3070   17.01915 154.3070   17.01915 ?          ?        123.6786 6.880394 ?        ?        ?         ?        
1 1 1 14 25 16 o 106.0154 6.153832 113.4610   13.04801 113.4610   13.04801 ?          ?        106.0154 6.153832 ?        ?        ?         ?        
1 1 1 14 25 17 o 128.9515 12.09826 174.1626   31.20177 174.1626   31.20177 ?          ?        128.9515 12.09826 ?        ?        ?         ?        
1 1 1 14 26 0  o 472.6788 13.88865 2243.691   131.0475 2243.691   131.0475 2243.691   131.0475 472.6788 13.88865 472.6788 13.88865 -0.000000 0.000000 
1 1 1 14 26 1  o 254.2303 6.024945 646.7277   30.63447 646.7277   30.63447 ?          ?        254.2303 6.024945 ?        ?        ?         ?        
1 1 1 14 26 2  o 382.1343 8.165133 1461.945   62.40355 1461.945   62.40355 ?          ?        382.1343 8.165133 ?        ?        ?         ?        
1 1 1 14 26 3  o 617.8389 13.26811 3830.443   163.9511 3830.443   163.9511 ?          ?        617.8389 13.26811 ?        ?        ?         ?        
1 1 1 14 26 4  o 200.9037 5.788721 403.9211   23.25950 403.9211   23.25950 ?          ?        200.9037 5.788721 ?        ?        ?         ?        
1 1 1 14 26 5  f 419.4694 10.21088 1763.184   85.66305 1763.184   85.66305 ?          ?        419.4694 10.21088 ?        ?        ?         ?        
1 1 1 14 26 6  o 119.7340 6.870165 143.5282   16.45185 143.5282   16.45185 ?          ?        119.7340 6.870165 ?        ?        ?         ?        
1 1 1 14 26 7  f 364.7543 8.398659 1333.167   61.26894 1333.167   61.26894 ?          ?        364.7543 8.398659 ?        ?        ?         ?        
1 1 1 14 26 8  o 138.3724 6.969730 191.7491   19.28837 191.7491   19.28837 ?          ?        138.3724 6.969730 ?        ?        ?         ?        
1 1 1 14 26 9  f 255.9620 6.981548 656.3718   35.74022 656.3718   35.74022 ?          ?        255.9620 6.981548 ?        ?        ?         ?        
1 1 1 14 26 10 o 152.9171 6.863290 234.2970   20.99029 234.2970   20.99029 ?          ?        152.9171 6.863290 ?        ?        ?         ?        
1 1 1 14 26 11 o 433.8569 10.00303 1892.529   86.79766 1892.529   86.79766 ?          ?        433.8569 10.00303 ?        ?        ?         ?        
1 1 1 14 26 12 o 88.82143 9.899894 79.42269   17.58645 79.42269   17.58645 ?          ?        88.82143 9.899894 ?        ?        ?         ?        
1 1 1 14 26 13 o 146.8173 8.114444 217.2778   23.82681 217.2778   23.82681 ?          ?        146.8173 8.114444 ?        ?        ?         ?        
1 1 1 14 26 14 o 297.3566 8.871398 894.6400   52.75936 894.6400   52.75936 ?          ?        297.3566 8.871398 ?        ?        ?         ?        
1 1 1 14 26 15 o 82.11499 9.326698 68.64390   15.31723 68.64390   15.31723 ?          ?        82.11499 9.326698 ?        ?        ?         ?        
1 1 1 14 26 16 o 82.95199 7.180903 69.77851   11.91340 69.77851   11.91340 ?          ?        82.95199 7.180903 ?        ?        ?         ?        
1 1 1 14 26 17 o 96.04470 12.99469 97.57646   24.96142 97.57646   24.96142 ?          ?        96.04470 12.99469 ?        ?        ?         ?        
1 1 1 14 27 0  o 203.6392 8.247529 416.9691   33.47099 416.9691   33.47099 416.9691   33.47099 203.6392 8.247529 203.6392 8.247529 -0.000000 0.000000 
1 1 1 14 27 1  o 200.9184 5.788296 403.9211   23.25950 403.9211   23.25950 ?          ?        200.9184 5.788296 ?        ?        ?         ?        
1 1 1 14 27 2  o 173.5078 5.721838 301.2389   19.85567 301.2389   19.85567 ?          ?        173.5078 5.721838 ?        ?        ?         ?        
1 1 1 14 27 3  o 232.4033 6.712852 540.6417   31.20177 540.6417   31.20177 ?          ?        232.4033 6.712852 ?        ?        ?         ?        
1 1 1 14 27 4  o 547.2283 13.01043 3005.014   142.3935 3005.014   142.3935 ?          ?        547.2283 13.01043 ?        ?        ?         ?        
1 1 1 14 27 5  o 428.6704 11.24895 1842.606   96.44185 1842.606   96.44185 ?          ?        428.6704 11.24895 ?        ?        ?         ?        
1 1 1 14 27 6  o 188.4962 6.621199 355.7002   24.96142 355.7002   24.96142 ?          ?        188.4962 6.621199 ?        ?        ?         ?        
1 1 1 14 27 7  o 230.8577 7.372139 533.8340   34.03830 533.8340   34.03830 ?          ?        230.8577 7.372139 ?        ?        ?         ?        
1 1 1 14 27 8  o 158.4307 6.266358 251.3161   19.85567 251.3161   19.85567 ?          ?        158.4307 6.266358 ?        ?        ?         ?        
1 1 1 14 27 9  o 296.4243 7.463927 880.4573   44.24979 880.4573   44.24979 ?          ?        296.4243 7.463927 ?        ?        ?         ?        
1 1 1 14 27 10 o 81.10299 17.29861 69.21120   27.23064 69.21120   27.23064 ?          ?        81.10299 17.29861 ?        ?        ?         ?        
1 1 1 14 27 11 o 469.8320 12.37650 2226.104   116.2975 2226.104   116.2975 ?          ?        469.8320 12.37650 ?        ?        ?         ?        
1 1 1 14 27 12 o 263.5220 7.319453 697.2178   38.57674 697.2178   38.57674 ?          ?        263.5220 7.319453 ?        ?        ?         ?        
1 1 1 14 27 13 o 215.8671 6.701475 468.5939   28.93255 468.5939   28.93255 ?          ?        215.8671 6.701475 ?        ?        ?         ?        
1 1 1 14 27 14 o 56.82816 15.86987 34.60560   18.72106 34.60560   18.72106 ?          ?        56.82816 15.86987 ?        ?        ?         ?        
1 1 1 14 27 15 o 116.9996 7.030728 138.4224   16.45185 138.4224   16.45185 ?          ?        116.9996 7.030728 ?        ?        ?         ?        
1 1 1 14 27 16 o 201.9539 6.741797 412.9980   27.23064 412.9980   27.23064 ?          ?        201.9539 6.741797 ?        ?        ?         ?        
1 1 1 14 27 17 o 162.0694 8.925976 270.0372   28.93255 270.0372   28.93255 ?          ?        162.0694 8.925976 ?        ?        ?         ?        
1 1 1 14 28 0  o 143.1584 9.192147 207.6336   26.09603 207.6336   26.09603 207.6336   26.09603 143.1584 9.192147 143.1584 9.192147 -0.000000 0.000000 
1 1 1 14 28 1  o 370.8913 8.106731 1377.417   60.13433 1377.417   60.13433 ?          ?        370.8913 8.106731 ?        ?        ?         ?        
1 1 1 14 28 2  o 473.3038 9.828572 2244.826   93.03801 2244.826   93.03801 ?          ?        473.3038 9.828572 ?        ?        ?         ?        
1 1 1 14 28 3  o 532.3690 11.02921 2841.631   117.4321 2841.631   117.4321 ?          ?        532.3690 11.02921 ?        ?        ?         ?        
1 1 1 14 28 4  o 104.5860 7.051579 109.4899   14.74993 109.4899   14.74993 ?          ?        104.5860 7.051579 ?        ?        ?         ?        
1 1 1 14 28 5  o 97.54300 8.433124 95.30723   16.45185 95.30723   16.45185 ?          ?        97.54300 8.433124 ?        ?        ?         ?        
1 1 1 14 28 6  o 370.7242 10.02321 1377.984   74.31695 1377.984   74.31695 ?          ?        370.7242 10.02321 ?        ?        ?         ?        
1 1 1 14 28 7  o 471.0450 11.62202 2227.807   109.4899 2227.807   109.4899 ?          ?        471.0450 11.62202 ?        ?        ?         ?        
1 1 1 14 28 8  o 200.1298 6.378042 401.0846   25.52872 401.0846   25.52872 ?          ?        200.1298 6.378042 ?        ?        ?         ?        
1 1 1 14 28 9  o 789.4537 18.61185 6309.565   293.8640 6309.565   293.8640 ?          ?        789.4537 18.61185 ?        ?        ?         ?        
1 1 1 14 28 10 o 315.2912 9.176455 997.8894   57.86510 997.8894   57.86510 ?          ?        315.2912 9.176455 ?        ?        ?         ?        
1 1 1 14 28 11 f 560.0132 14.58750 3176.908   163.3838 3176.908   163.3838 ?          ?        560.0132 14.58750 ?        ?        ?         ?        
1 1 1 14 28 12 o 104.2916 8.703363 109.4899   18.15376 109.4899   18.15376 ?          ?        104.2916 8.703363 ?        ?        ?         ?        
1 1 1 14 28 13 o 155.9139 6.913299 244.5084   21.55759 244.5084   21.55759 ?          ?        155.9139 6.913299 ?        ?        ?         ?        
1 1 1 14 28 14 o 250.2443 7.821167 632.5450   39.14404 632.5450   39.14404 ?          ?        250.2443 7.821167 ?        ?        ?         ?        
1 1 1 14 28 15 o 169.3685 6.866537 289.8928   23.25950 289.8928   23.25950 ?          ?        169.3685 6.866537 ?        ?        ?         ?        
1 1 1 14 28 16 o 51.29880 11.84289 28.36525   11.91340 28.36525   11.91340 ?          ?        51.29880 11.84289 ?        ?        ?         ?        
1 1 1 14 28 17 o 38.16591 16.63304 0.000000   23.82681 0.000000   23.82681 ?          ?        38.16591 16.63304 ?        ?        ?         ?        
1 1 1 14 29 0  o 114.1512 9.830619 133.3167   22.12490 133.3167   22.12490 133.3167   22.12490 114.1512 9.830619 114.1512 9.830619 -0.000000 0.000000 
1 1 1 14 29 1  o 305.3098 7.246704 933.2167   44.24979 933.2167   44.24979 ?          ?        305.3098 7.246704 ?        ?        ?         ?        
1 1 1 14 29 2  o 332.5828 7.249461 1107.379   48.22092 1107.379   48.22092 ?          ?        332.5828 7.249461 ?        ?        ?         ?        
1 1 1 14 29 3  o 361.5902 8.472152 1309.340   61.26894 1309.340   61.26894 ?          ?        361.5902 8.472152 ?        ?        ?         ?        
1 1 1 14 29 4  o 508.7957 13.04545 2598.257   132.7494 2598.257   132.7494 ?          ?        508.7957 13.04545 ?        ?        ?         ?        
1 1 1 14 29 5  o 370.0656 9.964402 1372.878   73.74965 1372.878   73.74965 ?          ?        370.0656 9.964402 ?        ?        ?         ?        
1 1 1 14 29 6  o 577.1740 14.89095 3352.772   171.8934 3352.772   171.8934 ?          ?        577.1740 14.89095 ?        ?        ?         ?        
1 1 1 14 29 7  o 403.6349 10.89255 1634.973   87.93227 1634.973   87.93227 ?          ?        403.6349 10.89255 ?        ?        ?         ?        
1 1 1 14 29 8  o 204.8601 6.646154 420.3730   27.23064 420.3730   27.23064 ?          ?        204.8601 6.646154 ?        ?        ?         ?        
1 1 1 14 29 9  o 406.0864 10.19814 1655.396   82.82652 1655.396   82.82652 ?          ?        406.0864 10.19814 ?        ?        ?         ?        
1 1 1 14 29 10 o 42.94107 16.64031 11.91340   20.42298 11.91340   20.42298 ?          ?        42.94107 16.64031 ?        ?        ?         ?        
1 1 1 14 29 11 o 359.6049 8.913320 1300.263   64.10546 1300.263   64.10546 ?          ?        359.6049 8.913320 ?        ?        ?         ?        
1 1 1 14 29 12 o 344.1486 9.066365 1193.042   62.40355 1193.042   62.40355 ?          ?        344.1486 9.066365 ?        ?        ?         ?        
1 1 1 14 29 13 o 114.2109 8.444188 131.6148   19.28837 131.6148   19.28837 ?          ?        114.2109 8.444188 ?        ?        ?         ?        
1 1 1 14 29 14 o 90.34785 9.418679 82.82652   17.01915 82.82652   17.01915 ?          ?        90.34785 9.418679 ?        ?        ?         ?        
1 1 1 14 29 15 f 159.9084 7.627528 259.2584   24.39412 259.2584   24.39412 ?          ?        159.9084 7.627528 ?        ?        ?         ?        
1 1 1 14 29 16 o 60.56145 11.19365 39.14404   13.04801 39.14404   13.04801 ?          ?        60.56145 11.19365 ?        ?        ?         ?        
1 1 1 14 30 0  o 52.59939 20.46182 38.00943   20.42298 38.00943   20.42298 38.00943   20.42298 52.59939 20.46182 52.59939 20.46182 -0.000000 0.000000 
1 1 1 14 30 1  o 606.0993 12.26151 3685.213   148.6339 3685.213   148.6339 ?          ?        606.0993 12.26151 ?        ?        ?         ?        
1 1 1 14 30 2  o 475.8451 9.835693 2268.653   93.60532 2268.653   93.60532 ?          ?        475.8451 9.835693 ?        ?        ?         ?        
1 1 1 14 30 3  o 550.6785 13.03194 3043.024   143.5282 3043.024   143.5282 ?          ?        550.6785 13.03194 ?        ?        ?         ?        
1 1 1 14 30 4  o 214.6525 6.475103 461.2190   27.79794 461.2190   27.79794 ?          ?        214.6525 6.475103 ?        ?        ?         ?        
1 1 1 14 30 5  o 751.9756 19.12453 5707.655   287.6236 5707.655   287.6236 ?          ?        751.9756 19.12453 ?        ?        ?         ?        
1 1 1 14 30 6  o 188.6361 6.315549 356.2675   23.82681 356.2675   23.82681 ?          ?        188.6361 6.315549 ?        ?        ?         ?        
1 1 1 14 30 7  o 297.2190 7.634841 884.9957   45.38440 884.9957   45.38440 ?          ?        297.2190 7.634841 ?        ?        ?         ?        
1 1 1 14 30 8  o 420.6331 9.778027 1775.664   82.25922 1775.664   82.25922 ?          ?        420.6331 9.778027 ?        ?        ?         ?        
1 1 1 14 30 9  o 323.6212 8.063758 1050.082   52.19205 1050.082   52.19205 ?          ?        323.6212 8.063758 ?        ?        ?         ?        
1 1 1 14 30 10 o 50.15289 16.04087 24.96142   18.15376 24.96142   18.15376 ?          ?        50.15289 16.04087 ?        ?        ?         ?        
1 1 1 14 30 11 o 187.8353 6.946517 353.9983   26.09603 353.9983   26.09603 ?          ?        187.8353 6.946517 ?        ?        ?         ?        
1 1 1 14 30 12 o 386.7569 9.167662 1507.329   70.91312 1507.329   70.91312 ?          ?        386.7569 9.167662 ?        ?        ?         ?        
1 1 1 14 30 13 o 202.7214 6.716272 413.5653   27.23064 413.5653   27.23064 ?          ?        202.7214 6.716272 ?        ?        ?         ?        
1 1 1 14 30 14 o 47.65131 15.27345 23.25950   16.45185 23.25950   16.45185 ?          ?        47.65131 15.27345 ?        ?        ?         ?        
1 1 1 14 30 15 o 201.2467 6.906434 410.1615   27.79794 410.1615   27.79794 ?          ?        201.2467 6.906434 ?        ?        ?         ?        
1 1 1 14 30 16 o 202.5515 6.861946 416.4019   27.79794 416.4019   27.79794 ?          ?        202.5515 6.861946 ?        ?        ?         ?        
1 1 1 14 31 0  o 238.1622 9.080368 570.1415   43.11518 570.1415   43.11518 570.1415   43.11518 238.1622 9.080368 238.1622 9.080368 -0.000000 0.000000 
1 1 1 14 31 1  o 464.3640 9.651285 2160.297   89.63419 2160.297   89.63419 ?          ?        464.3640 9.651285 ?        ?        ?         ?        
1 1 1 14 31 2  o 200.3366 6.088282 401.6519   24.39412 401.6519   24.39412 ?          ?        200.3366 6.088282 ?        ?        ?         ?        
1 1 1 14 31 3  o 115.8859 7.098293 134.4513   16.45185 134.4513   16.45185 ?          ?        115.8859 7.098293 ?        ?        ?         ?        
1 1 1 14 31 4  o 82.05367 10.37074 67.50929   17.01915 67.50929   17.01915 ?          ?        82.05367 10.37074 ?        ?        ?         ?        
1 1 1 14 31 5  f 340.0307 9.259584 1159.004   62.97085 1159.004   62.97085 ?          ?        340.0307 9.259584 ?        ?        ?         ?        
1 1 1 14 31 6  o 291.5327 7.978353 851.5248   46.51900 851.5248   46.51900 ?          ?        291.5327 7.978353 ?        ?        ?         ?        
1 1 1 14 31 7  o 339.3019 8.192688 1153.898   55.59589 1153.898   55.59589 ?          ?        339.3019 8.192688 ?        ?        ?         ?        
1 1 1 14 31 8  o 428.5236 10.59088 1843.741   90.76879 1843.741   90.76879 ?          ?        428.5236 10.59088 ?        ?        ?         ?        
1 1 1 14 31 9  o 312.5669 7.804446 979.7357   48.78823 979.7357   48.78823 ?          ?        312.5669 7.804446 ?        ?        ?         ?        
1 1 1 14 31 10 o 146.3910 7.750544 215.0086   22.69220 215.0086   22.69220 ?          ?        146.3910 7.750544 ?        ?        ?         ?        
1 1 1 14 31 11 o 220.4140 6.691921 487.3149   29.49986 487.3149   29.49986 ?          ?        220.4140 6.691921 ?        ?        ?         ?        
1 1 1 14 31 12 f 366.8298 8.815093 1357.561   64.67276 1357.561   64.67276 ?          ?        366.8298 8.815093 ?        ?        ?         ?        
1 1 1 14 31 13 o 183.6203 6.488064 339.2484   23.82681 339.2484   23.82681 ?          ?        183.6203 6.488064 ?        ?        ?         ?        
1 1 1 14 31 14 o 264.6527 7.181001 706.8619   38.00943 706.8619   38.00943 ?          ?        264.6527 7.181001 ?        ?        ?         ?        
1 1 1 14 31 15 o 104.4040 8.965688 111.1918   18.72106 111.1918   18.72106 ?          ?        104.4040 8.965688 ?        ?        ?         ?        
1 1 1 14 31 16 o 48.87846 13.49314 26.09603   13.61532 26.09603   13.61532 ?          ?        48.87846 13.49314 ?        ?        ?         ?        
1 1 1 14 32 0  o 593.2503 17.29302 3539.416   204.7971 3539.416   204.7971 3539.416   204.7971 593.2503 17.29302 593.2503 17.29302 -0.000000 0.000000 
1 1 1 14 32 1  o 424.8241 9.147407 1808.001   77.72078 1808.001   77.72078 ?          ?        424.8241 9.147407 ?        ?        ?         ?        
1 1 1 14 32 2  o 226.9711 6.623566 515.6802   30.06716 515.6802   30.06716 ?          ?        226.9711 6.623566 ?        ?        ?         ?        
1 1 1 14 32 3  o 129.9434 6.985256 169.0569   18.15376 169.0569   18.15376 ?          ?        129.9434 6.985256 ?        ?        ?         ?        
1 1 1 14 32 4  o 618.5719 15.72862 3850.866   194.5856 3850.866   194.5856 ?          ?        618.5719 15.72862 ?        ?        ?         ?        
1 1 1 14 32 5  o 340.9068 9.318993 1165.244   63.53815 1165.244   63.53815 ?          ?        340.9068 9.318993 ?        ?        ?         ?        
1 1 1 14 32 6  o 381.6495 10.47951 1461.378   79.99000 1461.378   79.99000 ?          ?        381.6495 10.47951 ?        ?        ?         ?        
1 1 1 14 32 7  o 72.80064 13.35633 55.02858   18.72106 55.02858   18.72106 ?          ?        72.80064 13.35633 ?        ?        ?         ?        
1 1 1 14 32 8  o 47.27362 15.55288 21.55759   17.01915 21.55759   17.01915 ?          ?        47.27362 15.55288 ?        ?        ?         ?        
1 1 1 14 32 9  o 372.2865 8.990655 1391.032   66.94199 1391.032   66.94199 ?          ?        372.2865 8.990655 ?        ?        ?         ?        
1 1 1 14 32 10 o 213.2944 6.649317 456.1132   28.36525 456.1132   28.36525 ?          ?        213.2944 6.649317 ?        ?        ?         ?        
1 1 1 14 32 11 o 314.5591 8.115715 994.4856   51.05745 994.4856   51.05745 ?          ?        314.5591 8.115715 ?        ?        ?         ?        
1 1 1 14 32 12 o 138.2073 7.388531 192.3164   20.42298 192.3164   20.42298 ?          ?        138.2073 7.388531 ?        ?        ?         ?        
1 1 1 14 32 13 o 229.9409 7.031454 532.6994   32.33638 532.6994   32.33638 ?          ?        229.9409 7.031454 ?        ?        ?         ?        
1 1 1 14 32 14 o 44.58799 15.75787 18.72106   17.58645 18.72106   17.58645 ?          ?        44.58799 15.75787 ?        ?        ?         ?        
1 1 1 14 32 15 o 98.12453 8.672219 98.14376   17.01915 98.14376   17.01915 ?          ?        98.12453 8.672219 ?        ?        ?         ?        
1 1 1 14 32 16 o 118.3102 8.151608 142.9609   19.28837 142.9609   19.28837 ?          ?        118.3102 8.151608 ?        ?        ?         ?        
1 1 1 14 33 0  o 231.4124 9.720446 538.9397   44.81709 538.9397   44.81709 538.9397   44.81709 231.4124 9.720446 231.4124 9.720446 -0.000000 0.000000 
1 1 1 14 33 1  o 334.0431 8.066918 1117.591   53.89397 1117.591   53.89397 ?          ?        334.0431 8.066918 ?        ?        ?         ?        
1 1 1 14 33 2  o 307.7701 7.465264 948.5339   45.95170 948.5339   45.95170 ?          ?        307.7701 7.465264 ?        ?        ?         ?        
1 1 1 14 33 3  o 113.1318 8.274008 128.2109   18.72106 128.2109   18.72106 ?          ?        113.1318 8.274008 ?        ?        ?         ?        
1 1 1 14 33 4  o 534.5295 13.95631 2873.400   149.2012 2873.400   149.2012 ?          ?        534.5295 13.95631 ?        ?        ?         ?        
1 1 1 14 33 5  f 369.8028 9.434558 1371.176   69.77851 1371.176   69.77851 ?          ?        369.8028 9.434558 ?        ?        ?         ?        
1 1 1 14 33 6  o 189.0286 7.502897 357.9694   28.36525 357.9694   28.36525 ?          ?        189.0286 7.502897 ?        ?        ?         ?        
1 1 1 14 33 7  o 363.3704 8.664830 1324.090   62.97085 1324.090   62.97085 ?          ?        363.3704 8.664830 ?        ?        ?         ?        
1 1 1 14 33 8  o 337.9984 8.895653 1145.956   60.13433 1145.956   60.13433 ?          ?        337.9984 8.895653 ?        ?        ?         ?        
1 1 1 14 33 9  o 340.1592 8.338815 1160.706   56.73050 1160.706   56.73050 ?          ?        340.1592 8.338815 ?        ?        ?         ?        
1 1 1 14 33 10 o 391.6575 9.342646 1543.070   73.18234 1543.070   73.18234 ?          ?        391.6575 9.342646 ?        ?        ?         ?        
1 1 1 14 33 11 f 251.0262 7.231820 633.1123   36.30752 633.1123   36.30752 ?          ?        251.0262 7.231820 ?        ?        ?         ?        
1 1 1 14 33 12 o 197.5868 6.747246 392.5750   26.66333 392.5750   26.66333 ?          ?        197.5868 6.747246 ?        ?        ?         ?        
1 1 1 14 33 13 o 162.6125 7.151817 266.6333   23.25950 266.6333   23.25950 ?          ?        162.6125 7.151817 ?        ?        ?         ?        
1 1 1 14 33 14 o 271.4576 8.254898 748.2752   44.81709 748.2752   44.81709 ?          ?        271.4576 8.254898 ?        ?        ?         ?        
1 1 1 14 33 15 o 108.6817 8.090804 120.2687   17.58645 120.2687   17.58645 ?          ?        108.6817 8.090804 ?        ?        ?         ?        
1 1 1 14 33 16 o 76.40443 10.76629 60.70163   16.45185 60.70163   16.45185 ?          ?        76.40443 10.76629 ?        ?        ?         ?        
1 1 1 14 34 0  o 551.4962 17.52622 3062.312   192.8837 3062.312   192.8837 3062.312   192.8837 551.4962 17.52622 551.4962 17.52622 -0.000000 0.000000 
1 1 1 14 34 1  o 173.7960 6.528402 302.3735   22.69220 302.3735   22.69220 ?          ?        173.7960 6.528402 ?        ?        ?         ?        
1 1 1 14 34 2  o 406.0065 9.222052 1651.992   74.88425 1651.992   74.88425 ?          ?        406.0065 9.222052 ?        ?        ?         ?        
1 1 1 14 34 3  o 541.7675 12.09444 2947.149   131.0475 2947.149   131.0475 ?          ?        541.7675 12.09444 ?        ?        ?         ?        
1 1 1 14 34 4  o 832.6411 21.22349 7027.774   353.4310 7027.774   353.4310 ?          ?        832.6411 21.22349 ?        ?        ?         ?        
1 1 1 14 34 5  o 320.4834 9.116294 1029.659   58.43241 1029.659   58.43241 ?          ?        320.4834 9.116294 ?        ?        ?         ?        
1 1 1 14 34 6  o 394.4118 9.996581 1561.223   78.85539 1561.223   78.85539 ?          ?        394.4118 9.996581 ?        ?        ?         ?        
1 1 1 14 34 7  o 455.6215 12.26447 2087.115   111.7591 2087.115   111.7591 ?          ?        455.6215 12.26447 ?        ?        ?         ?        
1 1 1 14 34 8  o 506.6311 13.38112 2587.478   135.5859 2587.478   135.5859 ?          ?        506.6311 13.38112 ?        ?        ?         ?        
1 1 1 14 34 9  o 241.7613 7.039650 586.0261   34.03830 586.0261   34.03830 ?          ?        241.7613 7.039650 ?        ?        ?         ?        
1 1 1 14 34 10 o 448.9116 10.61537 2030.952   95.30723 2030.952   95.30723 ?          ?        448.9116 10.61537 ?        ?        ?         ?        
1 1 1 14 34 11 o 150.8471 7.333549 228.6239   22.12490 228.6239   22.12490 ?          ?        150.8471 7.333549 ?        ?        ?         ?        
1 1 1 14 34 12 o 204.4666 7.352586 420.9402   30.06716 420.9402   30.06716 ?          ?        204.4666 7.352586 ?        ?        ?         ?        
1 1 1 14 34 13 o 177.9929 7.011914 319.3927   24.96142 319.3927   24.96142 ?          ?        177.9929 7.011914 ?        ?        ?         ?        
1 1 1 14 34 14 o 119.0057 8.819023 144.0954   20.99029 144.0954   20.99029 ?          ?        119.0057 8.819023 ?        ?        ?         ?        
1 1 1 14 34 15 o 164.7952 6.884971 275.1429   22.69220 275.1429   22.69220 ?          ?        164.7952 6.884971 ?        ?        ?         ?        
1 1 1 14 34 16 o 94.34444 9.621000 91.90340   18.15376 91.90340   18.15376 ?          ?        94.34444 9.621000 ?        ?        ?         ?        
1 1 1 14 35 0  o 285.3390 10.46868 818.6210   59.56702 818.6210   59.56702 818.6210   59.56702 285.3390 10.46868 285.3390 10.46868 -0.000000 0.000000 
1 1 1 14 35 1  o 362.5817 8.683677 1317.282   62.97085 1317.282   62.97085 ?          ?        362.5817 8.683677 ?        ?        ?         ?        
1 1 1 14 35 2  o 82.70129 11.31848 68.64390   18.72106 68.64390   18.72106 ?          ?        82.70129 11.31848 ?        ?        ?         ?        
1 1 1 14 35 3  o 727.1840 17.08505 5334.936   248.4796 5334.936   248.4796 ?          ?        727.1840 17.08505 ?        ?        ?         ?        
1 1 1 14 35 4  o 165.5877 6.852017 274.5756   22.69220 274.5756   22.69220 ?          ?        165.5877 6.852017 ?        ?        ?         ?        
1 1 1 14 35 5  o 385.0799 10.38616 1488.041   79.99000 1488.041   79.99000 ?          ?        385.0799 10.38616 ?        ?        ?         ?        
1 1 1 14 35 6  o 229.9943 6.659833 529.8629   30.63447 529.8629   30.63447 ?          ?        229.9943 6.659833 ?        ?        ?         ?        
1 1 1 14 35 7  o 49.38860 17.65233 20.99029   22.12490 20.99029   22.12490 ?          ?        49.38860 17.65233 ?        ?        ?         ?        
1 1 1 14 35 8  o 203.4872 7.945556 415.2672   32.33638 415.2672   32.33638 ?          ?        203.4872 7.945556 ?        ?        ?         ?        
1 1 1 14 35 9  o 68.07764 15.36374 48.78823   20.42298 48.78823   20.42298 ?          ?        68.07764 15.36374 ?        ?        ?         ?        
1 1 1 14 35 10 o 327.3766 8.231188 1076.745   53.89397 1076.745   53.89397 ?          ?        327.3766 8.231188 ?        ?        ?         ?        
1 1 1 14 35 11 o 340.8133 8.489268 1170.350   57.86510 1170.350   57.86510 ?          ?        340.8133 8.489268 ?        ?        ?         ?        
1 1 1 14 35 12 o 149.5167 7.209090 225.2201   21.55759 225.2201   21.55759 ?          ?        149.5167 7.209090 ?        ?        ?         ?        
1 1 1 14 35 13 o 46.56976 16.92837 19.28837   20.42298 19.28837   20.42298 ?          ?        46.56976 16.92837 ?        ?        ?         ?        
1 1 1 14 35 14 o 79.65546 12.10738 65.80738   19.28837 65.80738   19.28837 ?          ?        79.65546 12.10738 ?        ?        ?         ?        
1 1 1 14 35 15 o 42.77949 15.22871 17.58645   16.45185 17.58645   16.45185 ?          ?        42.77949 15.22871 ?        ?        ?         ?        
1 1 1 14 36 0  o 100.4100 13.39927 103.2495   26.66333 103.2495   26.66333 103.2495   26.66333 100.4100 13.39927 100.4100 13.39927 -0.000000 0.000000 
1 1 1 14 36 1  o 621.2272 13.69801 3880.933   170.1915 3880.933   170.1915 ?          ?        621.2272 13.69801 ?        ?        ?         ?        
1 1 1 14 36 2  f 34.90545 14.84639 0.000000   18.15376 0.000000   18.15376 ?          ?        34.90545 14.84639 ?        ?        ?         ?        
1 1 1 14 36 3  o 311.1782 7.839276 970.0915   48.78823 970.0915   48.78823 ?          ?        311.1782 7.839276 ?        ?        ?         ?        
1 1 1 14 36 4  o 179.9995 7.091332 324.4984   25.52872 324.4984   25.52872 ?          ?        179.9995 7.091332 ?        ?        ?         ?        
1 1 1 14 36 5  o 463.0008 13.29427 2157.461   123.1052 2157.461   123.1052 ?          ?        463.0008 13.29427 ?        ?        ?         ?        
1 1 1 14 36 6  o 369.8515 9.433315 1372.311   69.77851 1372.311   69.77851 ?          ?        369.8515 9.433315 ?        ?        ?         ?        
1 1 1 14 36 7  o 279.8765 7.601188 785.1501   42.54787 785.1501   42.54787 ?          ?        279.8765 7.601188 ?        ?        ?         ?        
1 1 1 14 36 8  f 69.05463 14.43454 49.92284   19.28837 49.92284   19.28837 ?          ?        69.05463 14.43454 ?        ?        ?         ?        
1 1 1 14 36 9  o 258.5742 7.678907 671.1218   39.71135 671.1218   39.71135 ?          ?        258.5742 7.678907 ?        ?        ?         ?        
1 1 1 14 36 10 o 358.1101 8.633691 1290.052   61.83624 1290.052   61.83624 ?          ?        358.1101 8.633691 ?        ?        ?         ?        
1 1 1 14 36 11 o 111.7056 8.633571 125.9417   19.28837 125.9417   19.28837 ?          ?        111.7056 8.633571 ?        ?        ?         ?        
1 1 1 14 36 12 o 79.65958 11.39459 64.67276   18.15376 64.67276   18.15376 ?          ?        79.65958 11.39459 ?        ?        ?         ?        
1 1 1 14 36 13 o 368.6356 9.618321 1381.388   70.91312 1381.388   70.91312 ?          ?        368.6356 9.618321 ?        ?        ?         ?        
1 1 1 14 36 14 o 36.95079 15.06339 6.807660   17.58645 6.807660   17.58645 ?          ?        36.95079 15.06339 ?        ?        ?         ?        
1 1 1 14 36 15 o 149.0893 7.039499 225.7874   20.99029 225.7874   20.99029 ?          ?        149.0893 7.039499 ?        ?        ?         ?        
1 1 1 14 37 0  o 147.7116 11.26756 222.3835   32.90369 222.3835   32.90369 222.3835   32.90369 147.7116 11.26756 147.7116 11.26756 -0.000000 0.000000 
1 1 1 14 37 1  o 426.5904 9.774463 1825.020   83.39383 1825.020   83.39383 ?          ?        426.5904 9.774463 ?        ?        ?         ?        
1 1 1 14 37 2  o 233.2143 6.689508 544.6128   31.20177 544.6128   31.20177 ?          ?        233.2143 6.689508 ?        ?        ?         ?        
1 1 1 14 37 3  o 273.8522 7.146929 751.1118   39.14404 751.1118   39.14404 ?          ?        273.8522 7.146929 ?        ?        ?         ?        
1 1 1 14 37 4  o 219.3007 6.596548 481.6419   28.93255 481.6419   28.93255 ?          ?        219.3007 6.596548 ?        ?        ?         ?        
1 1 1 14 37 5  o 682.7772 17.53154 4716.006   239.4027 4716.006   239.4027 ?          ?        682.7772 17.53154 ?        ?        ?         ?        
1 1 1 14 37 6  o 94.76531 11.07488 90.20149   20.99029 90.20149   20.99029 ?          ?        94.76531 11.07488 ?        ?        ?         ?        
1 1 1 14 37 7  o 386.9593 9.236170 1503.358   71.48043 1503.358   71.48043 ?          ?        386.9593 9.236170 ?        ?        ?         ?        
1 1 1 14 37 8  o 134.6090 9.693268 182.1049   26.09603 182.1049   26.09603 ?          ?        134.6090 9.693268 ?        ?        ?         ?        
1 1 1 14 37 9  o 256.7008 7.403450 661.4776   38.00943 661.4776   38.00943 ?          ?        256.7008 7.403450 ?        ?        ?         ?        
1 1 1 14 37 10 o 200.5267 7.072686 403.9211   28.36525 403.9211   28.36525 ?          ?        200.5267 7.072686 ?        ?        ?         ?        
1 1 1 14 37 11 o 165.9364 6.666679 276.8448   22.12490 276.8448   22.12490 ?          ?        165.9364 6.666679 ?        ?        ?         ?        
1 1 1 14 37 12 o 176.4548 6.912284 313.7196   24.39412 313.7196   24.39412 ?          ?        176.4548 6.912284 ?        ?        ?         ?        
1 1 1 14 37 13 o 157.3281 7.211742 250.1815   22.69220 250.1815   22.69220 ?          ?        157.3281 7.211742 ?        ?        ?         ?        
1 1 1 14 37 14 o 147.4774 6.924105 220.1143   20.42298 220.1143   20.42298 ?          ?        147.4774 6.924105 ?        ?        ?         ?        
1 1 1 14 37 15 o 101.5512 9.496871 106.0860   19.28837 106.0860   19.28837 ?          ?        101.5512 9.496871 ?        ?        ?         ?        
1 1 1 14 38 0  o 411.8820 13.46071 1706.453   110.6245 1706.453   110.6245 1706.453   110.6245 411.8820 13.46071 411.8820 13.46071 -0.000000 0.000000 
1 1 1 14 38 1  o 40.46801 15.88031 9.644185   18.72106 9.644185   18.72106 ?          ?        40.46801 15.88031 ?        ?        ?         ?        
1 1 1 14 38 2  o 393.1146 9.091551 1549.310   71.48043 1549.310   71.48043 ?          ?        393.1146 9.091551 ?        ?        ?         ?        
1 1 1 14 38 3  o 371.7174 8.851802 1385.359   65.80738 1385.359   65.80738 ?          ?        371.7174 8.851802 ?        ?        ?         ?        
1 1 1 14 38 4  o 440.8650 10.74478 1952.096   94.73994 1952.096   94.73994 ?          ?        440.8650 10.74478 ?        ?        ?         ?        
1 1 1 14 38 5  o 258.9260 7.230275 671.6891   37.44213 671.6891   37.44213 ?          ?        258.9260 7.230275 ?        ?        ?         ?        
1 1 1 14 38 6  o 551.8369 14.23822 3069.687   157.1435 3069.687   157.1435 ?          ?        551.8369 14.23822 ?        ?        ?         ?        
1 1 1 14 38 7  o 603.5583 13.53505 3672.165   163.3838 3672.165   163.3838 ?          ?        603.5583 13.53505 ?        ?        ?         ?        
1 1 1 14 38 8  o 71.56776 15.49830 53.89397   21.55759 53.89397   21.55759 ?          ?        71.56776 15.49830 ?        ?        ?         ?        
1 1 1 14 38 9  o 271.4477 7.628221 739.7656   41.41326 739.7656   41.41326 ?          ?        271.4477 7.628221 ?        ?        ?         ?        
1 1 1 14 38 10 o 327.9919 8.215747 1082.418   53.89397 1082.418   53.89397 ?          ?        327.9919 8.215747 ?        ?        ?         ?        
1 1 1 14 38 11 o 361.6800 8.862181 1321.253   64.10546 1321.253   64.10546 ?          ?        361.6800 8.862181 ?        ?        ?         ?        
1 1 1 14 38 12 o 107.3033 9.516469 116.8648   20.42298 116.8648   20.42298 ?          ?        107.3033 9.516469 ?        ?        ?         ?        
1 1 1 14 38 13 o 237.5593 7.044766 570.7088   33.47099 570.7088   33.47099 ?          ?        237.5593 7.044766 ?        ?        ?         ?        
1 1 1 14 38 14 o 57.33265 15.81998 36.30752   18.72106 36.30752   18.72106 ?          ?        57.33265 15.81998 ?        ?        ?         ?        
1 1 1 14 38 15 o 135.1332 7.556611 186.0760   20.42298 186.0760   20.42298 ?          ?        135.1332 7.556611 ?        ?        ?         ?        
1 1 1 14 39 0  o 661.8263 23.94090 4436.892   315.9889 4436.892   315.9889 4436.892   315.9889 661.8263 23.94090 661.8263 23.94090 -0.000000 0.000000 
1 1 1 14 39 1  o 427.0768 9.763330 1829.558   83.39383 1829.558   83.39383 ?          ?        427.0768 9.763330 ?        ?        ?         ?        
1 1 1 14 39 2  o 437.5328 9.983817 1920.895   87.36497 1920.895   87.36497 ?          ?        437.5328 9.983817 ?        ?        ?         ?        
1 1 1 14 39 3  o 216.7756 7.327641 470.8631   31.76908 470.8631   31.76908 ?          ?        216.7756 7.327641 ?        ?        ?         ?        
1 1 1 14 39 4  o 202.9950 7.825089 412.9980   31.76908 412.9980   31.76908 ?          ?        202.9950 7.825089 ?        ?        ?         ?        
1 1 1 14 39 5  o 347.7481 9.054090 1212.898   62.97085 1212.898   62.97085 ?          ?        347.7481 9.054090 ?        ?        ?         ?        
1 1 1 14 39 6  o 545.3276 12.32757 2994.803   134.4513 2994.803   134.4513 ?          ?        545.3276 12.32757 ?        ?        ?         ?        
1 1 1 14 39 7  o 343.5587 8.503993 1184.533   58.43241 1184.533   58.43241 ?          ?        343.5587 8.503993 ?        ?        ?         ?        
1 1 1 14 39 8  o 82.43430 12.38743 68.64390   20.42298 68.64390   20.42298 ?          ?        82.43430 12.38743 ?        ?        ?         ?        
1 1 1 14 39 9  o 295.9248 7.859937 879.8900   46.51900 879.8900   46.51900 ?          ?        295.9248 7.859937 ?        ?        ?         ?        
1 1 1 14 39 10 o 246.3999 7.828075 611.5547   38.57674 611.5547   38.57674 ?          ?        246.3999 7.828075 ?        ?        ?         ?        
1 1 1 14 39 11 o 205.4143 7.594839 425.4788   31.20177 425.4788   31.20177 ?          ?        205.4143 7.594839 ?        ?        ?         ?        
1 1 1 14 39 12 o 107.3847 8.980970 116.8648   19.28837 116.8648   19.28837 ?          ?        107.3847 8.980970 ?        ?        ?         ?        
1 1 1 14 39 13 f 218.4423 6.752324 482.2092   29.49986 482.2092   29.49986 ?          ?        218.4423 6.752324 ?        ?        ?         ?        
1 1 1 14 39 14 o 261.2729 7.273895 692.6793   38.00943 692.6793   38.00943 ?          ?        261.2729 7.273895 ?        ?        ?         ?        
1 1 1 14 39 15 o 117.4659 8.210199 141.2589   19.28837 141.2589   19.28837 ?          ?        117.4659 8.210199 ?        ?        ?         ?        
1 1 1 14 40 0  o 332.0391 11.99402 1109.649   79.42269 1109.649   79.42269 1109.649   79.42269 332.0391 11.99402 332.0391 11.99402 -0.000000 0.000000 
1 1 1 14 40 1  o 182.1107 8.099430 332.4407   29.49986 332.4407   29.49986 ?          ?        182.1107 8.099430 ?        ?        ?         ?        
1 1 1 14 40 2  o 102.2527 9.986521 104.9514   20.42298 104.9514   20.42298 ?          ?        102.2527 9.986521 ?        ?        ?         ?        
1 1 1 14 40 3  o 290.4261 7.618082 845.2844   44.24979 845.2844   44.24979 ?          ?        290.4261 7.618082 ?        ?        ?         ?        
1 1 1 14 40 4  o 569.2431 13.65336 3262.004   155.4416 3262.004   155.4416 ?          ?        569.2431 13.65336 ?        ?        ?         ?        
1 1 1 14 40 5  o 344.9044 9.046499 1193.610   62.40355 1193.610   62.40355 ?          ?        344.9044 9.046499 ?        ?        ?         ?        
1 1 1 14 40 6  o 195.7491 7.245307 384.0654   28.36525 384.0654   28.36525 ?          ?        195.7491 7.245307 ?        ?        ?         ?        
1 1 1 14 40 7  o 136.5666 8.308105 187.2106   22.69220 187.2106   22.69220 ?          ?        136.5666 8.308105 ?        ?        ?         ?        
1 1 1 14 40 8  o 218.1702 7.150787 477.6707   31.20177 477.6707   31.20177 ?          ?        218.1702 7.150787 ?        ?        ?         ?        
1 1 1 14 40 9  o 127.8111 8.877242 164.5184   22.69220 164.5184   22.69220 ?          ?        127.8111 8.877242 ?        ?        ?         ?        
1 1 1 14 40 10 o 132.6846 8.337404 177.5665   22.12490 177.5665   22.12490 ?          ?        132.6846 8.337404 ?        ?        ?         ?        
1 1 1 14 40 11 f 147.5040 8.845868 220.1143   26.09603 220.1143   26.09603 ?          ?        147.5040 8.845868 ?        ?        ?         ?        
1 1 1 14 40 12 o 342.7536 8.441210 1189.638   57.86510 1189.638   57.86510 ?          ?        342.7536 8.441210 ?        ?        ?         ?        
1 1 1 14 40 13 o 278.3123 7.338152 785.7174   40.84595 785.7174   40.84595 ?          ?        278.3123 7.338152 ?        ?        ?         ?        
1 1 1 14 40 14 o 55.12743 14.29152 33.47099   15.88454 33.47099   15.88454 ?          ?        55.12743 14.29152 ?        ?        ?         ?        
1 1 1 14 40 15 o 82.85899 10.95461 71.48043   18.15376 71.48043   18.15376 ?          ?        82.85899 10.95461 ?        ?        ?         ?        
1 1 1 14 41 0  o 22.86809 16.41202 -41.98057  31.76908 -41.98057  31.76908 -41.98057  31.76908 22.86809 16.41202 22.86809 16.41202 -0.000000 0.000000 
1 1 1 14 41 1  o 577.9219 13.05567 3361.282   150.9031 3361.282   150.9031 ?          ?        577.9219 13.05567 ?        ?        ?         ?        
1 1 1 14 41 2  o 232.1750 7.208140 540.0743   33.47099 540.0743   33.47099 ?          ?        232.1750 7.208140 ?        ?        ?         ?        
1 1 1 14 41 3  o 361.2704 8.793714 1308.773   63.53815 1308.773   63.53815 ?          ?        361.2704 8.793714 ?        ?        ?         ?        
1 1 1 14 41 4  o 215.4636 7.240614 465.1901   31.20177 465.1901   31.20177 ?          ?        215.4636 7.240614 ?        ?        ?         ?        
1 1 1 14 41 5  o 560.6469 12.90142 3167.831   144.6628 3167.831   144.6628 ?          ?        560.6469 12.90142 ?        ?        ?         ?        
1 1 1 14 41 6  o 397.3247 10.20886 1586.752   81.12460 1586.752   81.12460 ?          ?        397.3247 10.20886 ?        ?        ?         ?        
1 1 1 14 41 7  o 226.2534 6.895315 513.4110   31.20177 513.4110   31.20177 ?          ?        226.2534 6.895315 ?        ?        ?         ?        
1 1 1 14 41 8  o 286.4301 7.625331 823.7267   43.68248 823.7267   43.68248 ?          ?        286.4301 7.625331 ?        ?        ?         ?        
1 1 1 14 41 9  o 22.58029 11.20816 -45.95170  19.28837 -45.95170  19.28837 ?          ?        22.58029 11.20816 ?        ?        ?         ?        
1 1 1 14 41 10 o 38.94389 15.52516 8.509575   18.15376 8.509575   18.15376 ?          ?        38.94389 15.52516 ?        ?        ?         ?        
1 1 1 14 41 11 o 79.59138 14.80846 67.50929   22.69220 67.50929   22.69220 ?          ?        79.59138 14.80846 ?        ?        ?         ?        
1 1 1 14 41 12 o 107.8895 9.464764 118.5667   20.42298 118.5667   20.42298 ?          ?        107.8895 9.464764 ?        ?        ?         ?        
1 1 1 14 41 13 o 80.13491 11.68097 66.37468   18.72106 66.37468   18.72106 ?          ?        80.13491 11.68097 ?        ?        ?         ?        
1 1 1 14 41 14 o 222.5765 6.754343 502.6322   30.06716 502.6322   30.06716 ?          ?        222.5765 6.754343 ?        ?        ?         ?        
1 1 1 14 42 0  o 370.2912 12.51757 1379.686   92.47070 1379.686   92.47070 1379.686   92.47070 370.2912 12.51757 370.2912 12.51757 -0.000000 0.000000 
1 1 1 14 42 1  o 840.9742 18.48351 7158.822   310.8831 7158.822   310.8831 ?          ?        840.9742 18.48351 ?        ?        ?         ?        
1 1 1 14 42 2  o 238.4242 7.376121 569.5742   35.17290 569.5742   35.17290 ?          ?        238.4242 7.376121 ?        ?        ?         ?        
1 1 1 14 42 3  f 478.3531 10.91078 2298.720   104.3841 2298.720   104.3841 ?          ?        478.3531 10.91078 ?        ?        ?         ?        
1 1 1 14 42 4  o 241.1976 7.291304 583.1895   35.17290 583.1895   35.17290 ?          ?        241.1976 7.291304 ?        ?        ?         ?        
1 1 1 14 42 5  o 415.1772 10.45309 1731.982   86.79766 1731.982   86.79766 ?          ?        415.1772 10.45309 ?        ?        ?         ?        
1 1 1 14 42 6  f 255.3893 7.219336 654.1026   36.87482 654.1026   36.87482 ?          ?        255.3893 7.219336 ?        ?        ?         ?        
1 1 1 14 42 7  o 318.0958 8.203828 1016.610   52.19205 1016.610   52.19205 ?          ?        318.0958 8.203828 ?        ?        ?         ?        
1 1 1 14 42 8  o 138.0770 8.217228 191.7491   22.69220 191.7491   22.69220 ?          ?        138.0770 8.217228 ?        ?        ?         ?        
1 1 1 14 42 9  o 280.1659 7.492092 790.2558   41.98057 790.2558   41.98057 ?          ?        280.1659 7.492092 ?        ?        ?         ?        
1 1 1 14 42 10 o 84.41339 13.77714 73.18234   23.25950 73.18234   23.25950 ?          ?        84.41339 13.77714 ?        ?        ?         ?        
1 1 1 14 42 11 o 76.01315 15.08957 61.83624   22.12490 61.83624   22.12490 ?          ?        76.01315 15.08957 ?        ?        ?         ?        
1 1 1 14 42 12 o 83.55559 11.88171 72.04772   19.85567 72.04772   19.85567 ?          ?        83.55559 11.88171 ?        ?        ?         ?        
1 1 1 14 42 13 o 305.0626 8.740283 950.2358   53.32666 950.2358   53.32666 ?          ?        305.0626 8.740283 ?        ?        ?         ?        
1 1 1 14 42 14 f 165.7000 7.189743 279.1140   23.82681 279.1140   23.82681 ?          ?        165.7000 7.189743 ?        ?        ?         ?        
1 1 1 14 43 0  o 486.3770 15.95893 2384.383   154.8743 2384.383   154.8743 2384.383   154.8743 486.3770 15.95893 486.3770 15.95893 -0.000000 0.000000 
1 1 1 14 43 1  f 581.7130 13.01935 3405.532   151.4704 3405.532   151.4704 ?          ?        581.7130 13.01935 ?        ?        ?         ?        
1 1 1 14 43 2  o 87.55605 12.63470 77.15348   22.12490 77.15348   22.12490 ?          ?        87.55605 12.63470 ?        ?        ?         ?        
1 1 1 14 43 3  o 657.4429 14.62609 4364.845   192.3164 4364.845   192.3164 ?          ?        657.4429 14.62609 ?        ?        ?         ?        
1 1 1 14 43 4  o 189.5749 7.331652 360.2386   27.79794 360.2386   27.79794 ?          ?        189.5749 7.331652 ?        ?        ?         ?        
1 1 1 14 43 5  o 280.4381 7.990551 789.1213   44.81709 789.1213   44.81709 ?          ?        280.4381 7.990551 ?        ?        ?         ?        
1 1 1 14 43 6  o 153.7963 8.852825 237.7008   27.23064 237.7008   27.23064 ?          ?        153.7963 8.852825 ?        ?        ?         ?        
1 1 1 14 43 7  o 165.5527 7.538814 275.1429   24.96142 275.1429   24.96142 ?          ?        165.5527 7.538814 ?        ?        ?         ?        
1 1 1 14 43 8  o 111.0273 9.452763 124.2398   20.99029 124.2398   20.99029 ?          ?        111.0273 9.452763 ?        ?        ?         ?        
1 1 1 14 43 9  o 108.4920 9.935102 119.1340   21.55759 119.1340   21.55759 ?          ?        108.4920 9.935102 ?        ?        ?         ?        
1 1 1 14 43 10 f 161.5944 7.372411 263.2295   23.82681 263.2295   23.82681 ?          ?        161.5944 7.372411 ?        ?        ?         ?        
1 1 1 14 43 11 o 87.63191 10.68165 78.28809   18.72106 78.28809   18.72106 ?          ?        87.63191 10.68165 ?        ?        ?         ?        
1 1 1 14 43 12 o 160.1266 7.439992 259.8257   23.82681 259.8257   23.82681 ?          ?        160.1266 7.439992 ?        ?        ?         ?        
1 1 1 14 43 13 o 284.7415 8.965579 828.8326   51.05745 828.8326   51.05745 ?          ?        284.7415 8.965579 ?        ?        ?         ?        
1 1 1 14 43 14 o 85.52591 10.61302 76.01886   18.15376 76.01886   18.15376 ?          ?        85.52591 10.61302 ?        ?        ?         ?        
1 1 1 14 44 0  o 926.9695 29.04088 8776.207   537.2378 8776.207   537.2378 8776.207   537.2378 926.9695 29.04088 926.9695 29.04088 -0.000000 0.000000 
1 1 1 14 44 1  o 363.1549 8.904294 1323.522   64.67276 1323.522   64.67276 ?          ?        363.1549 8.904294 ?        ?        ?         ?        
1 1 1 14 44 2  o 295.6357 7.771679 876.4862   45.95170 876.4862   45.95170 ?          ?        295.6357 7.771679 ?        ?        ?         ?        
1 1 1 14 44 3  o 491.3532 11.14167 2427.498   109.4899 2427.498   109.4899 ?          ?        491.3532 11.14167 ?        ?        ?         ?        
1 1 1 14 44 4  o 133.4000 9.143224 178.7011   24.39412 178.7011   24.39412 ?          ?        133.4000 9.143224 ?        ?        ?         ?        
1 1 1 14 44 5  o 117.7286 11.08313 139.5570   26.09603 139.5570   26.09603 ?          ?        117.7286 11.08313 ?        ?        ?         ?        
1 1 1 14 44 6  o 499.9919 11.45975 2522.805   114.5956 2522.805   114.5956 ?          ?        499.9919 11.45975 ?        ?        ?         ?        
1 1 1 14 44 7  o 76.43569 16.09218 61.83624   23.82681 61.83624   23.82681 ?          ?        76.43569 16.09218 ?        ?        ?         ?        
1 1 1 14 44 8  o 118.0875 9.127801 140.6916   21.55759 140.6916   21.55759 ?          ?        118.0875 9.127801 ?        ?        ?         ?        
1 1 1 14 44 9  o 238.0717 7.387042 570.7088   35.17290 570.7088   35.17290 ?          ?        238.0717 7.387042 ?        ?        ?         ?        
1 1 1 14 44 10 o 89.81230 11.05398 82.25922   19.85567 82.25922   19.85567 ?          ?        89.81230 11.05398 ?        ?        ?         ?        
1 1 1 14 44 11 o 68.04478 14.59460 49.92284   19.28837 49.92284   19.28837 ?          ?        68.04478 14.59460 ?        ?        ?         ?        
1 1 1 14 44 12 o 208.2212 8.309818 441.3633   34.60560 441.3633   34.60560 ?          ?        208.2212 8.309818 ?        ?        ?         ?        
1 1 1 14 44 13 o 244.3660 7.545000 607.5836   36.87482 607.5836   36.87482 ?          ?        244.3660 7.545000 ?        ?        ?         ?        
1 1 1 14 44 14 o 46.55291 16.27727 22.12490   18.72106 22.12490   18.72106 ?          ?        46.55291 16.27727 ?        ?        ?         ?        
1 1 1 14 45 0  o 588.2341 18.70310 3498.002   219.5470 3498.002   219.5470 3498.002   219.5470 588.2341 18.70310 588.2341 18.70310 -0.000000 0.000000 
1 1 1 14 45 1  o 563.2292 12.69118 3195.062   142.9609 3195.062   142.9609 ?          ?        563.2292 12.69118 ?        ?        ?         ?        
1 1 1 14 45 2  o 123.9694 9.609955 154.3070   23.82681 154.3070   23.82681 ?          ?        123.9694 9.609955 ?        ?        ?         ?        
1 1 1 14 45 3  o 463.4360 10.77233 2160.297   99.84568 2160.297   99.84568 ?          ?        463.4360 10.77233 ?        ?        ?         ?        
1 1 1 14 45 4  o 243.2368 7.346794 593.4010   35.74022 593.4010   35.74022 ?          ?        243.2368 7.346794 ?        ?        ?         ?        
1 1 1 14 45 5  o 210.7675 7.401940 445.9017   31.20177 445.9017   31.20177 ?          ?        210.7675 7.401940 ?        ?        ?         ?        
1 1 1 14 45 6  o 151.5809 8.420826 230.8931   25.52872 230.8931   25.52872 ?          ?        151.5809 8.420826 ?        ?        ?         ?        
1 1 1 14 45 7  o 195.4438 8.853083 384.6328   34.60560 384.6328   34.60560 ?          ?        195.4438 8.853083 ?        ?        ?         ?        
1 1 1 14 45 8  o 175.6050 7.107264 310.3158   24.96142 310.3158   24.96142 ?          ?        175.6050 7.107264 ?        ?        ?         ?        
1 1 1 14 45 9  o 98.99581 9.455482 99.27837   18.72106 99.27837   18.72106 ?          ?        98.99581 9.455482 ?        ?        ?         ?        
1 1 1 14 45 10 o 133.8084 8.055393 180.9703   21.55759 180.9703   21.55759 ?          ?        133.8084 8.055393 ?        ?        ?         ?        
1 1 1 14 45 11 o 185.9007 7.018811 349.4599   26.09603 349.4599   26.09603 ?          ?        185.9007 7.018811 ?        ?        ?         ?        
1 1 1 14 45 12 o 62.50476 15.85304 43.11518   19.85567 43.11518   19.85567 ?          ?        62.50476 15.85304 ?        ?        ?         ?        
1 1 1 14 45 13 o 33.09104 14.57880 -2.836525  18.72106 -2.836525  18.72106 ?          ?        33.09104 14.57880 ?        ?        ?         ?        
1 1 1 14 46 0  o 117.5827 14.60181 145.2301   33.47099 145.2301   33.47099 145.2301   33.47099 117.5827 14.60181 117.5827 14.60181 -0.000000 0.000000 
1 1 1 14 46 1  o 213.1225 7.719433 455.5459   32.90369 455.5459   32.90369 ?          ?        213.1225 7.719433 ?        ?        ?         ?        
1 1 1 14 46 2  o 367.8163 8.945684 1358.695   65.80738 1358.695   65.80738 ?          ?        367.8163 8.945684 ?        ?        ?         ?        
1 1 1 14 46 3  o 166.6029 8.002059 278.5467   26.66333 278.5467   26.66333 ?          ?        166.6029 8.002059 ?        ?        ?         ?        
1 1 1 14 46 4  o 153.6092 8.678953 237.1335   26.66333 237.1335   26.66333 ?          ?        153.6092 8.678953 ?        ?        ?         ?        
1 1 1 14 46 5  o 517.2390 11.95506 2701.506   123.6725 2701.506   123.6725 ?          ?        517.2390 11.95506 ?        ?        ?         ?        
1 1 1 14 46 6  o 453.5599 10.69419 2077.471   97.00916 2077.471   97.00916 ?          ?        453.5599 10.69419 ?        ?        ?         ?        
1 1 1 14 46 7  o 311.3695 8.198851 976.3318   51.05745 976.3318   51.05745 ?          ?        311.3695 8.198851 ?        ?        ?         ?        
1 1 1 14 46 8  o 83.40387 12.58352 70.91312   20.99029 70.91312   20.99029 ?          ?        83.40387 12.58352 ?        ?        ?         ?        
1 1 1 14 46 9  f 226.7722 7.379870 518.5167   33.47099 518.5167   33.47099 ?          ?        226.7722 7.379870 ?        ?        ?         ?        
1 1 1 14 46 10 o 210.6481 7.136822 447.6036   30.06716 447.6036   30.06716 ?          ?        210.6481 7.136822 ?        ?        ?         ?        
1 1 1 14 46 11 o 76.14457 12.66562 60.13433   19.28837 60.13433   19.28837 ?          ?        76.14457 12.66562 ?        ?        ?         ?        
1 1 1 14 46 12 o 158.7182 7.506012 255.8545   23.82681 255.8545   23.82681 ?          ?        158.7182 7.506012 ?        ?        ?         ?        
1 1 1 14 46 13 o 119.3489 10.45733 147.4993   24.96142 147.4993   24.96142 ?          ?        119.3489 10.45733 ?        ?        ?         ?        
1 1 1 14 47 0  o 314.9995 12.19631 1000.726   76.58617 1000.726   76.58617 1000.726   76.58617 314.9995 12.19631 314.9995 12.19631 -0.000000 0.000000 
1 1 1 14 47 1  o 327.3677 8.144766 1075.610   53.32666 1075.610   53.32666 ?          ?        327.3677 8.144766 ?        ?        ?         ?        
1 1 1 14 47 2  o 269.0267 7.591432 726.1503   40.84595 726.1503   40.84595 ?          ?        269.0267 7.591432 ?        ?        ?         ?        
1 1 1 14 47 3  f 247.8811 7.323577 616.6605   36.30752 616.6605   36.30752 ?          ?        247.8811 7.323577 ?        ?        ?         ?        
1 1 1 14 47 4  o 194.4727 7.147004 379.5270   27.79794 379.5270   27.79794 ?          ?        194.4727 7.147004 ?        ?        ?         ?        
1 1 1 14 47 5  o 202.1012 7.438640 410.1615   30.06716 410.1615   30.06716 ?          ?        202.1012 7.438640 ?        ?        ?         ?        
1 1 1 14 47 6  o 106.2531 10.67837 114.0283   22.69220 114.0283   22.69220 ?          ?        106.2531 10.67837 ?        ?        ?         ?        
1 1 1 14 47 7  o 249.2441 7.624942 625.7374   38.00943 625.7374   38.00943 ?          ?        249.2441 7.624942 ?        ?        ?         ?        
1 1 1 14 47 8  o 155.7211 7.650475 244.5084   23.82681 244.5084   23.82681 ?          ?        155.7211 7.650475 ?        ?        ?         ?        
1 1 1 14 47 9  o 211.1180 7.524008 449.8729   31.76908 449.8729   31.76908 ?          ?        211.1180 7.524008 ?        ?        ?         ?        
1 1 1 14 47 10 o 65.35066 15.78101 46.51900   20.42298 46.51900   20.42298 ?          ?        65.35066 15.78101 ?        ?        ?         ?        
1 1 1 14 47 11 o 163.0647 8.175690 270.6045   26.66333 270.6045   26.66333 ?          ?        163.0647 8.175690 ?        ?        ?         ?        
1 1 1 14 47 12 o 106.0719 9.894367 115.7302   20.99029 115.7302   20.99029 ?          ?        106.0719 9.894367 ?        ?        ?         ?        
1 1 1 14 47 13 o 60.87342 16.40325 41.98057   20.42298 41.98057   20.42298 ?          ?        60.87342 16.40325 ?        ?        ?         ?        
1 1 1 14 48 0  o 148.6289 13.97049 228.0566   40.84595 228.0566   40.84595 228.0566   40.84595 148.6289 13.97049 148.6289 13.97049 -0.000000 0.000000 
1 1 1 14 48 1  o 149.7121 8.525939 225.2201   25.52872 225.2201   25.52872 ?          ?        149.7121 8.525939 ?        ?        ?         ?        
1 1 1 14 48 2  o 125.0002 11.57301 157.7108   28.93255 157.7108   28.93255 ?          ?        125.0002 11.57301 ?        ?        ?         ?        
1 1 1 14 48 3  o 363.4571 8.818848 1328.061   64.10546 1328.061   64.10546 ?          ?        363.4571 8.818848 ?        ?        ?         ?        
1 1 1 14 48 4  o 139.9377 8.513365 196.8548   23.82681 196.8548   23.82681 ?          ?        139.9377 8.513365 ?        ?        ?         ?        
1 1 1 14 48 5  o 66.90486 16.59423 47.65361   22.12490 47.65361   22.12490 ?          ?        66.90486 16.59423 ?        ?        ?         ?        
1 1 1 14 48 6  o 109.5057 10.36120 121.4033   22.69220 121.4033   22.69220 ?          ?        109.5057 10.36120 ?        ?        ?         ?        
1 1 1 14 48 7  o 274.9649 7.530645 761.3232   41.41326 761.3232   41.41326 ?          ?        274.9649 7.530645 ?        ?        ?         ?        
1 1 1 14 48 8  o 80.45779 13.04428 66.37468   20.99029 66.37468   20.99029 ?          ?        80.45779 13.04428 ?        ?        ?         ?        
1 1 1 14 48 9  o 105.9666 9.636517 114.0283   20.42298 114.0283   20.42298 ?          ?        105.9666 9.636517 ?        ?        ?         ?        
1 1 1 14 48 10 o 91.42959 11.78918 86.23035   21.55759 86.23035   21.55759 ?          ?        91.42959 11.78918 ?        ?        ?         ?        
1 1 1 14 48 11 o 201.4548 6.899299 410.7288   27.79794 410.7288   27.79794 ?          ?        201.4548 6.899299 ?        ?        ?         ?        
1 1 1 14 48 12 o 72.34129 14.23060 57.29780   19.85567 57.29780   19.85567 ?          ?        72.34129 14.23060 ?        ?        ?         ?        
1 1 1 14 49 0  o 105.3651 16.18076 117.4321   32.33638 117.4321   32.33638 117.4321   32.33638 105.3651 16.18076 105.3651 16.18076 -0.000000 0.000000 
1 1 1 14 49 1  o 142.9809 8.133780 205.3644   23.25950 205.3644   23.25950 ?          ?        142.9809 8.133780 ?        ?        ?         ?        
1 1 1 14 49 2  o 124.0006 10.29379 154.8743   25.52872 154.8743   25.52872 ?          ?        124.0006 10.29379 ?        ?        ?         ?        
1 1 1 14 49 3  o 432.2718 11.81142 1887.991   102.1149 1887.991   102.1149 ?          ?        432.2718 11.81142 ?        ?        ?         ?        
1 1 1 14 49 4  o 85.23149 12.97930 73.74965   22.12490 73.74965   22.12490 ?          ?        85.23149 12.97930 ?        ?        ?         ?        
1 1 1 14 49 5  o 90.92716 12.47823 83.96114   22.69220 83.96114   22.69220 ?          ?        90.92716 12.47823 ?        ?        ?         ?        
1 1 1 14 49 6  f 110.4921 10.26870 123.6725   22.69220 123.6725   22.69220 ?          ?        110.4921 10.26870 ?        ?        ?         ?        
1 1 1 14 49 7  o 117.8334 9.628932 140.6916   22.69220 140.6916   22.69220 ?          ?        117.8334 9.628932 ?        ?        ?         ?        
1 1 1 14 49 8  o 32.29311 14.84861 -15.31723  22.12490 -15.31723  22.12490 ?          ?        32.29311 14.84861 ?        ?        ?         ?        
1 1 1 14 49 9  o 261.0858 7.822325 689.2755   40.84595 689.2755   40.84595 ?          ?        261.0858 7.822325 ?        ?        ?         ?        
1 1 1 14 49 10 o 129.8569 8.082085 171.3261   20.99029 171.3261   20.99029 ?          ?        129.8569 8.082085 ?        ?        ?         ?        
1 1 1 14 49 11 o 171.2127 7.123920 297.2678   24.39412 297.2678   24.39412 ?          ?        171.2127 7.123920 ?        ?        ?         ?        
1 1 1 14 49 12 o 79.63901 13.17839 66.94199   20.99029 66.94199   20.99029 ?          ?        79.63901 13.17839 ?        ?        ?         ?        
1 1 1 14 50 0  o 105.6978 16.08735 117.9994   32.33638 117.9994   32.33638 117.9994   32.33638 105.6978 16.08735 105.6978 16.08735 -0.000000 0.000000 
1 1 1 14 50 1  o 99.34127 12.56347 99.84568   24.96142 99.84568   24.96142 ?          ?        99.34127 12.56347 ?        ?        ?         ?        
1 1 1 14 50 2  o 334.0650 8.490936 1122.697   56.73050 1122.697   56.73050 ?          ?        334.0650 8.490936 ?        ?        ?         ?        
1 1 1 14 50 3  o 151.6561 8.416649 231.4604   25.52872 231.4604   25.52872 ?          ?        151.6561 8.416649 ?        ?        ?         ?        
1 1 1 14 50 4  o 136.3056 8.948317 187.2106   24.39412 187.2106   24.39412 ?          ?        136.3056 8.948317 ?        ?        ?         ?        
1 1 1 14 50 5  o 154.6470 8.070449 241.1046   24.96142 241.1046   24.96142 ?          ?        154.6470 8.070449 ?        ?        ?         ?        
1 1 1 14 50 6  o 32.63281 14.87058 -13.04801  21.55759 -13.04801  21.55759 ?          ?        32.63281 14.87058 ?        ?        ?         ?        
1 1 1 14 50 7  o 139.7825 8.319894 197.4221   23.25950 197.4221   23.25950 ?          ?        139.7825 8.319894 ?        ?        ?         ?        
1 1 1 14 50 8  o 214.1444 7.550134 462.9208   32.33638 462.9208   32.33638 ?          ?        214.1444 7.550134 ?        ?        ?         ?        
1 1 1 14 50 9  o 195.4097 7.693367 386.9020   30.06716 386.9020   30.06716 ?          ?        195.4097 7.693367 ?        ?        ?         ?        
1 1 1 14 50 10 o 57.10393 16.78345 35.74022   20.42298 35.74022   20.42298 ?          ?        57.10393 16.78345 ?        ?        ?         ?        
1 1 1 14 50 11 o 152.9331 7.975420 238.2681   24.39412 238.2681   24.39412 ?          ?        152.9331 7.975420 ?        ?        ?         ?        
1 1 1 14 50 12 o 150.1584 7.367187 229.7585   22.12490 229.7585   22.12490 ?          ?        150.1584 7.367187 ?        ?        ?         ?        
1 1 1 14 51 0  o 230.4794 12.00680 538.9397   55.02858 538.9397   55.02858 538.9397   55.02858 230.4794 12.00680 230.4794 12.00680 -0.000000 0.000000 
1 1 1 14 51 1  o 124.5444 10.24884 156.5762   25.52872 156.5762   25.52872 ?          ?        124.5444 10.24884 ?        ?        ?         ?        
1 1 1 14 51 2  o 81.53831 14.80917 69.77851   23.25950 69.77851   23.25950 ?          ?        81.53831 14.80917 ?        ?        ?         ?        
1 1 1 14 51 3  o 214.8310 7.393970 464.0555   31.76908 464.0555   31.76908 ?          ?        214.8310 7.393970 ?        ?        ?         ?        
1 1 1 14 51 4  o 341.2604 8.644382 1175.456   58.99971 1175.456   58.99971 ?          ?        341.2604 8.644382 ?        ?        ?         ?        
1 1 1 14 51 5  o 169.1179 7.883060 288.1909   26.66333 288.1909   26.66333 ?          ?        169.1179 7.883060 ?        ?        ?         ?        
1 1 1 14 51 6  o 279.9004 7.701880 790.2558   43.11518 790.2558   43.11518 ?          ?        279.9004 7.701880 ?        ?        ?         ?        
1 1 1 14 51 7  o 74.74475 15.68075 60.13433   22.69220 60.13433   22.69220 ?          ?        74.74475 15.68075 ?        ?        ?         ?        
1 1 1 14 51 8  f 147.8435 8.249979 221.2489   24.39412 221.2489   24.39412 ?          ?        147.8435 8.249979 ?        ?        ?         ?        
1 1 1 14 51 9  o 219.1415 7.377969 486.1804   32.33638 486.1804   32.33638 ?          ?        219.1415 7.377969 ?        ?        ?         ?        
1 1 1 14 51 10 o 86.49830 13.11714 78.28809   22.69220 78.28809   22.69220 ?          ?        86.49830 13.11714 ?        ?        ?         ?        
1 1 1 14 51 11 o 140.5277 7.872076 201.3933   22.12490 201.3933   22.12490 ?          ?        140.5277 7.872076 ?        ?        ?         ?        
1 1 1 14 51 12 o 140.6234 8.875275 203.0952   24.96142 203.0952   24.96142 ?          ?        140.6234 8.875275 ?        ?        ?         ?        
1 1 1 14 52 0  o 446.4295 14.96833 2021.307   133.3167 2021.307   133.3167 2021.307   133.3167 446.4295 14.96833 446.4295 14.96833 -0.000000 0.000000 
1 1 1 14 52 1  o 225.5997 7.292492 511.7091   32.90369 511.7091   32.90369 ?          ?        225.5997 7.292492 ?        ?        ?         ?        
1 1 1 14 52 2  o 108.9446 10.67493 120.2687   23.25950 120.2687   23.25950 ?          ?        108.9446 10.67493 ?        ?        ?         ?        
1 1 1 14 52 3  o 217.9599 7.938525 478.8054   34.60560 478.8054   34.60560 ?          ?        217.9599 7.938525 ?        ?        ?         ?        
1 1 1 14 52 4  o 227.4041 7.608835 520.7859   34.60560 520.7859   34.60560 ?          ?        227.4041 7.608835 ?        ?        ?         ?        
1 1 1 14 52 5  o 200.1349 7.653454 403.9211   30.63447 403.9211   30.63447 ?          ?        200.1349 7.653454 ?        ?        ?         ?        
1 1 1 14 52 6  o 32.70575 14.89490 -12.48071  21.55759 -12.48071  21.55759 ?          ?        32.70575 14.89490 ?        ?        ?         ?        
1 1 1 14 52 7  f 181.9933 7.948797 334.7099   28.93255 334.7099   28.93255 ?          ?        181.9933 7.948797 ?        ?        ?         ?        
1 1 1 14 52 8  o 107.7629 9.739104 118.5667   20.99029 118.5667   20.99029 ?          ?        107.7629 9.739104 ?        ?        ?         ?        
1 1 1 14 52 9  o 76.99335 14.16130 64.10546   20.99029 64.10546   20.99029 ?          ?        76.99335 14.16130 ?        ?        ?         ?        
1 1 1 14 52 10 o 107.3204 10.30787 118.5667   22.12490 118.5667   22.12490 ?          ?        107.3204 10.30787 ?        ?        ?         ?        
1 1 1 14 52 11 o 68.37810 15.67541 52.19205   20.99029 52.19205   20.99029 ?          ?        68.37810 15.67541 ?        ?        ?         ?        
1 1 1 14 53 0  o 66.42268 31.12112 68.07660   45.95170 68.07660   45.95170 68.07660   45.95170 66.42268 31.12112 66.42268 31.12112 -0.000000 0.000000 
1 1 1 14 53 1  o 134.1084 8.671905 181.5376   23.25950 181.5376   23.25950 ?          ?        134.1084 8.671905 ?        ?        ?         ?        
1 1 1 14 53 2  o 94.56479 13.19805 91.33610   24.96142 91.33610   24.96142 ?          ?        94.56479 13.19805 ?        ?        ?         ?        
1 1 1 14 53 3  o 293.8623 7.915102 870.2458   46.51900 870.2458   46.51900 ?          ?        293.8623 7.915102 ?        ?        ?         ?        
1 1 1 14 53 4  o 133.5356 10.19602 180.9703   27.23064 180.9703   27.23064 ?          ?        133.5356 10.19602 ?        ?        ?         ?        
1 1 1 14 53 5  o 85.17741 12.65452 74.31695   21.55759 74.31695   21.55759 ?          ?        85.17741 12.65452 ?        ?        ?         ?        
1 1 1 14 53 6  o 104.9228 11.08410 112.3264   23.25950 112.3264   23.25950 ?          ?        104.9228 11.08410 ?        ?        ?         ?        
1 1 1 14 53 7  o 100.1419 11.33002 102.6822   22.69220 102.6822   22.69220 ?          ?        100.1419 11.33002 ?        ?        ?         ?        
1 1 1 14 53 8  f 192.3178 7.817053 374.9886   30.06716 374.9886   30.06716 ?          ?        192.3178 7.817053 ?        ?        ?         ?        
1 1 1 14 53 9  o 153.6140 8.678679 240.5373   26.66333 240.5373   26.66333 ?          ?        153.6140 8.678679 ?        ?        ?         ?        
1 1 1 14 53 10 o 55.27304 17.95890 33.47099   22.69220 33.47099   22.69220 ?          ?        55.27304 17.95890 ?        ?        ?         ?        
1 1 1 14 53 11 o 175.9974 7.897259 316.5562   27.79794 316.5562   27.79794 ?          ?        175.9974 7.897259 ?        ?        ?         ?        
1 1 1 14 54 0  o 57.78251 26.58803 50.49014   33.47099 50.49014   33.47099 50.49014   33.47099 57.78251 26.58803 57.78251 26.58803 -0.000000 0.000000 
1 1 1 14 54 1  f 189.9244 8.064910 363.6425   30.63447 363.6425   30.63447 ?          ?        189.9244 8.064910 ?        ?        ?         ?        
1 1 1 14 54 2  o 226.3032 7.771191 516.2476   35.17290 516.2476   35.17290 ?          ?        226.3032 7.771191 ?        ?        ?         ?        
1 1 1 14 54 3  o 228.9911 7.556101 528.7282   34.60560 528.7282   34.60560 ?          ?        228.9911 7.556101 ?        ?        ?         ?        
1 1 1 14 54 4  o 80.75645 14.58372 69.21120   22.69220 69.21120   22.69220 ?          ?        80.75645 14.58372 ?        ?        ?         ?        
1 1 1 14 54 5  o 237.4292 7.526500 569.0069   35.74022 569.0069   35.74022 ?          ?        237.4292 7.526500 ?        ?        ?         ?        
1 1 1 14 54 6  o 120.5402 12.47185 149.2012   30.06716 149.2012   30.06716 ?          ?        120.5402 12.47185 ?        ?        ?         ?        
1 1 1 14 54 7  o 100.0899 10.48571 102.6822   20.99029 102.6822   20.99029 ?          ?        100.0899 10.48571 ?        ?        ?         ?        
1 1 1 14 54 8  o 116.1228 10.01505 138.4224   23.25950 138.4224   23.25950 ?          ?        116.1228 10.01505 ?        ?        ?         ?        
1 1 1 14 54 9  o 174.2099 7.815467 308.6139   27.23064 308.6139   27.23064 ?          ?        174.2099 7.815467 ?        ?        ?         ?        
1 1 1 14 54 10 o 27.40974 12.92967 -19.28837  18.72106 -19.28837  18.72106 ?          ?        27.40974 12.92967 ?        ?        ?         ?        
1 1 1 14 55 0  o 38.92284 23.33245 18.15376   31.76908 18.15376   31.76908 18.15376   31.76908 38.92284 23.33245 38.92284 23.33245 -0.000000 0.000000 
1 1 1 14 55 1  o 191.6742 7.547325 370.4502   28.93255 370.4502   28.93255 ?          ?        191.6742 7.547325 ?        ?        ?         ?        
1 1 1 14 55 2  o 137.5647 9.485002 191.7491   26.09603 191.7491   26.09603 ?          ?        137.5647 9.485002 ?        ?        ?         ?        
1 1 1 14 55 3  o 253.1033 7.844891 646.7277   39.71135 646.7277   39.71135 ?          ?        253.1033 7.844891 ?        ?        ?         ?        
1 1 1 14 55 4  o 114.3422 10.91522 133.3167   24.96142 133.3167   24.96142 ?          ?        114.3422 10.91522 ?        ?        ?         ?        
1 1 1 14 55 5  o 38.69621 16.64215 0.000000   23.25950 0.000000   23.25950 ?          ?        38.69621 16.64215 ?        ?        ?         ?        
1 1 1 14 55 6  f 93.81212 14.51339 91.90340   27.23064 91.90340   27.23064 ?          ?        93.81212 14.51339 ?        ?        ?         ?        
1 1 1 14 55 7  o 235.5363 7.466558 562.1992   35.17290 562.1992   35.17290 ?          ?        235.5363 7.466558 ?        ?        ?         ?        
1 1 1 14 55 8  o 91.59410 13.62611 87.93227   24.96142 87.93227   24.96142 ?          ?        91.59410 13.62611 ?        ?        ?         ?        
1 1 1 14 55 9  o 24.41836 12.02591 -42.54787  20.99029 -42.54787  20.99029 ?          ?        24.41836 12.02591 ?        ?        ?         ?        
1 1 1 14 55 10 o 169.6400 8.193216 294.4313   27.79794 294.4313   27.79794 ?          ?        169.6400 8.193216 ?        ?        ?         ?        
1 1 1 14 56 0  o 24.05750 17.13840 -36.87482  32.90369 -36.87482  32.90369 -36.87482  32.90369 24.05750 17.13840 24.05750 17.13840 -0.000000 0.000000 
1 1 1 14 56 1  o 135.8423 9.605264 187.2106   26.09603 187.2106   26.09603 ?          ?        135.8423 9.605264 ?        ?        ?         ?        
1 1 1 14 56 2  o 40.26842 17.37811 -0.5673050 25.52872 -0.5673050 25.52872 ?          ?        40.26842 17.37811 ?        ?        ?         ?        
1 1 1 14 56 3  o 57.48566 18.37621 34.60560   23.82681 34.60560   23.82681 ?          ?        57.48566 18.37621 ?        ?        ?         ?        
1 1 1 14 56 4  o 193.9415 7.897861 380.0943   30.63447 380.0943   30.63447 ?          ?        193.9415 7.897861 ?        ?        ?         ?        
1 1 1 14 56 5  o 185.9344 7.932867 350.0272   29.49986 350.0272   29.49986 ?          ?        185.9344 7.932867 ?        ?        ?         ?        
1 1 1 14 56 6  o 144.4014 8.839503 212.1721   25.52872 212.1721   25.52872 ?          ?        144.4014 8.839503 ?        ?        ?         ?        
1 1 1 14 56 7  o 184.1966 7.699721 344.3541   28.36525 344.3541   28.36525 ?          ?        184.1966 7.699721 ?        ?        ?         ?        
1 1 1 14 56 8  o 37.02776 16.18370 -1.701915  22.69220 -1.701915  22.69220 ?          ?        37.02776 16.18370 ?        ?        ?         ?        
1 1 1 14 56 9  o 75.89643 15.11176 63.53815   22.12490 63.53815   22.12490 ?          ?        75.89643 15.11176 ?        ?        ?         ?        
1 1 1 14 56 10 o 190.6611 7.438655 370.4502   28.36525 370.4502   28.36525 ?          ?        190.6611 7.438655 ?        ?        ?         ?        
1 1 1 14 57 0  o 311.4754 11.78442 985.4087   73.18234 985.4087   73.18234 985.4087   73.18234 311.4754 11.78442 311.4754 11.78442 -0.000000 0.000000 
1 1 1 14 57 1  o 29.25099 14.04916 -32.90369  23.82681 -32.90369  23.82681 ?          ?        29.25099 14.04916 ?        ?        ?         ?        
1 1 1 14 57 2  o 130.6766 9.984968 173.5953   26.09603 173.5953   26.09603 ?          ?        130.6766 9.984968 ?        ?        ?         ?        
1 1 1 14 57 3  o 137.3810 8.671797 191.1818   23.82681 191.1818   23.82681 ?          ?        137.3810 8.671797 ?        ?        ?         ?        
1 1 1 14 57 4  o 153.9492 8.659781 240.5373   26.66333 240.5373   26.66333 ?          ?        153.9492 8.659781 ?        ?        ?         ?        
1 1 1 14 57 5  o 57.20451 18.14296 35.17290   23.25950 35.17290   23.25950 ?          ?        57.20451 18.14296 ?        ?        ?         ?        
1 1 1 14 57 6  o 79.16353 15.60479 68.64390   23.82681 68.64390   23.82681 ?          ?        79.16353 15.60479 ?        ?        ?         ?        
1 1 1 14 57 7  o 154.9793 8.602225 245.0758   26.66333 245.0758   26.66333 ?          ?        154.9793 8.602225 ?        ?        ?         ?        
1 1 1 14 57 8  o 147.6107 8.647315 222.9509   25.52872 222.9509   25.52872 ?          ?        147.6107 8.647315 ?        ?        ?         ?        
1 1 1 14 57 9  o 92.33308 12.28823 89.63419   22.69220 89.63419   22.69220 ?          ?        92.33308 12.28823 ?        ?        ?         ?        
1 1 1 14 58 0  o 439.8806 14.93351 1978.760   131.0475 1978.760   131.0475 1978.760   131.0475 439.8806 14.93351 439.8806 14.93351 -0.000000 0.000000 
1 1 1 14 58 1  o 142.8569 9.133625 207.0663   26.09603 207.0663   26.09603 ?          ?        142.8569 9.133625 ?        ?        ?         ?        
1 1 1 14 58 2  o 176.8744 9.141056 317.6908   32.33638 317.6908   32.33638 ?          ?        176.8744 9.141056 ?        ?        ?         ?        
1 1 1 14 58 3  o 106.8995 11.40984 117.4321   24.39412 117.4321   24.39412 ?          ?        106.8995 11.40984 ?        ?        ?         ?        
1 1 1 14 58 4  o 182.8520 8.066595 339.2484   29.49986 339.2484   29.49986 ?          ?        182.8520 8.066595 ?        ?        ?         ?        
1 1 1 14 58 5  o 263.7715 8.172827 707.9966   43.11518 707.9966   43.11518 ?          ?        263.7715 8.172827 ?        ?        ?         ?        
1 1 1 14 58 6  o 39.95714 16.77747 5.105744   22.69220 5.105744   22.69220 ?          ?        39.95714 16.77747 ?        ?        ?         ?        
1 1 1 14 58 7  o 104.1519 11.98318 112.8937   24.96142 112.8937   24.96142 ?          ?        104.1519 11.98318 ?        ?        ?         ?        
1 1 1 14 58 8  o 204.9382 7.889299 428.3152   32.33638 428.3152   32.33638 ?          ?        204.9382 7.889299 ?        ?        ?         ?        
1 1 1 14 58 9  o 63.42773 17.38008 45.95170   22.69220 45.95170   22.69220 ?          ?        63.42773 17.38008 ?        ?        ?         ?        
1 1 1 14 59 0  o 181.8534 11.48060 339.2484   41.41326 339.2484   41.41326 339.2484   41.41326 181.8534 11.48060 181.8534 11.48060 -0.000000 0.000000 
1 1 1 14 59 1  o 120.5663 10.11648 148.6339   24.39412 148.6339   24.39412 ?          ?        120.5663 10.11648 ?        ?        ?         ?        
1 1 1 14 59 2  o 211.6719 8.576366 455.5459   36.30752 455.5459   36.30752 ?          ?        211.6719 8.576366 ?        ?        ?         ?        
1 1 1 14 59 3  o 27.49735 13.36164 -38.00943  23.25950 -38.00943  23.25950 ?          ?        27.49735 13.36164 ?        ?        ?         ?        
1 1 1 14 59 4  o 214.5559 7.932269 468.0266   34.03830 468.0266   34.03830 ?          ?        214.5559 7.932269 ?        ?        ?         ?        
1 1 1 14 59 5  o 128.8235 10.12860 170.1915   26.09603 170.1915   26.09603 ?          ?        128.8235 10.12860 ?        ?        ?         ?        
1 1 1 14 59 6  o 100.7903 12.66428 106.0860   25.52872 106.0860   25.52872 ?          ?        100.7903 12.66428 ?        ?        ?         ?        
1 1 1 14 59 7  o 53.97909 18.40242 31.20177   23.82681 31.20177   23.82681 ?          ?        53.97909 18.40242 ?        ?        ?         ?        
1 1 1 14 59 8  o 119.6750 10.42883 148.6339   24.96142 148.6339   24.96142 ?          ?        119.6750 10.42883 ?        ?        ?         ?        
1 1 1 14 60 0  o 183.7593 11.51589 346.6233   41.98057 346.6233   41.98057 346.6233   41.98057 183.7593 11.51589 183.7593 11.51589 -0.000000 0.000000 
1 1 1 14 60 1  o 111.5242 10.68235 127.6436   23.82681 127.6436   23.82681 ?          ?        111.5242 10.68235 ?        ?        ?         ?        
1 1 1 14 60 2  o 108.9201 11.45859 122.5379   24.96142 122.5379   24.96142 ?          ?        108.9201 11.45859 ?        ?        ?         ?        
1 1 1 14 60 3  o 78.12805 16.48749 67.50929   24.96142 67.50929   24.96142 ?          ?        78.12805 16.48749 ?        ?        ?         ?        
1 1 1 14 60 4  o 166.4633 8.349568 281.9506   27.79794 281.9506   27.79794 ?          ?        166.4633 8.349568 ?        ?        ?         ?        
1 1 1 14 60 5  o 171.7194 8.424367 300.6716   28.93255 300.6716   28.93255 ?          ?        171.7194 8.424367 ?        ?        ?         ?        
1 1 1 14 60 6  o 181.4006 8.131138 335.8446   29.49986 335.8446   29.49986 ?          ?        181.4006 8.131138 ?        ?        ?         ?        
1 1 1 14 60 7  o 74.18430 16.49162 61.83624   23.82681 61.83624   23.82681 ?          ?        74.18430 16.49162 ?        ?        ?         ?        
1 1 1 14 60 8  o 124.5856 10.01778 160.5473   24.96142 160.5473   24.96142 ?          ?        124.5856 10.01778 ?        ?        ?         ?        
1 1 1 14 61 0  o 214.7298 10.75727 471.4304   45.95170 471.4304   45.95170 471.4304   45.95170 214.7298 10.75727 214.7298 10.75727 -0.000000 0.000000 
1 1 1 14 61 1  o 67.46414 18.11434 51.05745   24.96142 51.05745   24.96142 ?          ?        67.46414 18.11434 ?        ?        ?         ?        
1 1 1 14 61 2  o 101.1317 13.18249 106.6533   26.66333 106.6533   26.66333 ?          ?        101.1317 13.18249 ?        ?        ?         ?        
1 1 1 14 61 3  o 157.8468 9.164757 254.7199   28.93255 254.7199   28.93255 ?          ?        157.8468 9.164757 ?        ?        ?         ?        
1 1 1 14 61 4  o 65.54736 17.43454 48.22092   23.25950 48.22092   23.25950 ?          ?        65.54736 17.43454 ?        ?        ?         ?        
1 1 1 14 61 5  o 71.80814 17.51319 58.43241   24.96142 58.43241   24.96142 ?          ?        71.80814 17.51319 ?        ?        ?         ?        
1 1 1 14 61 6  o 141.8335 9.599507 207.0663   27.23064 207.0663   27.23064 ?          ?        141.8335 9.599507 ?        ?        ?         ?        
1 1 1 14 61 7  o 37.30504 16.24521 0.000000   22.69220 0.000000   22.69220 ?          ?        37.30504 16.24521 ?        ?        ?         ?        
1 1 1 14 62 0  o 227.3631 11.41406 529.8629   51.62476 529.8629   51.62476 529.8629   51.62476 227.3631 11.41406 227.3631 11.41406 -0.000000 0.000000 
1 1 1 14 62 1  o 42.91751 17.52084 10.21149   23.82681 10.21149   23.82681 ?          ?        42.91751 17.52084 ?        ?        ?         ?        
1 1 1 14 62 2  o 118.8861 11.92959 146.9320   28.36525 146.9320   28.36525 ?          ?        118.8861 11.92959 ?        ?        ?         ?        
1 1 1 14 62 3  o 41.86356 17.58801 6.240355   24.96142 6.240355   24.96142 ?          ?        41.86356 17.58801 ?        ?        ?         ?        
1 1 1 14 62 4  o 157.7849 8.629038 254.7199   27.23064 254.7199   27.23064 ?          ?        157.7849 8.629038 ?        ?        ?         ?        
1 1 1 14 62 5  o 66.61566 17.61271 50.49014   23.82681 50.49014   23.82681 ?          ?        66.61566 17.61271 ?        ?        ?         ?        
1 1 1 14 62 6  o 89.23572 13.98623 85.09574   24.96142 85.09574   24.96142 ?          ?        89.23572 13.98623 ?        ?        ?         ?        
1 1 1 14 63 0  o 93.32500 23.58076 107.2206   38.00943 107.2206   38.00943 107.2206   38.00943 93.32500 23.58076 93.32500 23.58076 -0.000000 0.000000 
1 1 1 14 63 1  o 40.41319 17.30553 2.836525   24.96142 2.836525   24.96142 ?          ?        40.41319 17.30553 ?        ?        ?         ?        
1 1 1 14 63 2  o 120.3500 10.60603 149.7685   25.52872 149.7685   25.52872 ?          ?        120.3500 10.60603 ?        ?        ?         ?        
1 1 1 14 63 3  o 161.7634 8.942864 268.3353   28.93255 268.3353   28.93255 ?          ?        161.7634 8.942864 ?        ?        ?         ?        
1 1 1 14 63 4  o 201.0933 8.181199 412.9980   32.90369 412.9980   32.90369 ?          ?        201.0933 8.181199 ?        ?        ?         ?        
1 1 1 14 63 5  o 126.6190 10.75298 166.7877   27.23064 166.7877   27.23064 ?          ?        126.6190 10.75298 ?        ?        ?         ?        
1 1 1 14 64 0  o 138.6781 14.17550 204.2298   38.57674 204.2298   38.57674 204.2298   38.57674 138.6781 14.17550 138.6781 14.17550 -0.000000 0.000000 
1 1 1 14 64 1  o 101.2236 12.04962 107.2206   24.39412 107.2206   24.39412 ?          ?        101.2236 12.04962 ?        ?        ?         ?        
1 1 1 14 64 2  o 95.27840 13.99233 96.44185   26.66333 96.44185   26.66333 ?          ?        95.27840 13.99233 ?        ?        ?         ?        
1 1 1 14 64 3  o 72.47497 18.05030 60.13433   26.09603 60.13433   26.09603 ?          ?        72.47497 18.05030 ?        ?        ?         ?        
1 1 1 14 64 4  o 100.2136 11.32192 104.9514   22.69220 104.9514   22.69220 ?          ?        100.2136 11.32192 ?        ?        ?         ?        
1 1 1 14 65 0  o 113.2632 16.69465 138.9897   36.30752 138.9897   36.30752 138.9897   36.30752 113.2632 16.69465 113.2632 16.69465 -0.000000 0.000000 
1 1 1 14 65 1  o 185.2896 8.266646 351.1618   30.63447 351.1618   30.63447 ?          ?        185.2896 8.266646 ?        ?        ?         ?        
1 1 1 14 65 2  o 117.0656 11.14590 142.9609   26.09603 142.9609   26.09603 ?          ?        117.0656 11.14590 ?        ?        ?         ?        
1 1 1 14 65 3  f 40.88924 17.80070 1.134610   27.23064 1.134610   27.23064 ?          ?        40.88924 17.80070 ?        ?        ?         ?        
1 1 1 14 66 0  o 45.77048 26.10204 33.47099   36.87482 33.47099   36.87482 33.47099   36.87482 45.77048 26.10204 45.77048 26.10204 -0.000000 0.000000 
1 1 1 14 66 1  o 112.6526 12.08611 133.3167   27.23064 133.3167   27.23064 ?          ?        112.6526 12.08611 ?        ?        ?         ?        
1 1 1 14 66 2  o 66.49997 18.51938 51.05745   25.52872 51.05745   25.52872 ?          ?        66.49997 18.51938 ?        ?        ?         ?        
1 1 1 15 0  1  o 156.3332 10.99612 248.4796   34.03830 248.4796   34.03830 248.4796   34.03830 156.3332 10.99612 156.3332 10.99612 -0.000000 0.000000 
1 1 1 15 0  2  o 301.1039 11.14943 912.2264   66.94199 912.2264   66.94199 912.2264   66.94199 301.1039 11.14943 301.1039 11.14943 -0.000000 0.000000 
1 1 1 15 0  3  f 39.15762 20.33877 22.69220   20.42298 22.69220   20.42298 22.69220   20.42298 39.15762 20.33877 39.15762 20.33877 -0.000000 0.000000 
1 1 1 15 0  4  o 172.5756 6.927503 299.5370   23.82681 299.5370   23.82681 299.5370   23.82681 172.5756 6.927503 172.5756 6.927503 -0.000000 0.000000 
1 1 1 15 0  5  o 460.9497 13.62583 2135.903   125.3744 2135.903   125.3744 2135.903   125.3744 460.9497 13.62583 460.9497 13.62583 -0.000000 0.000000 
1 1 1 15 0  6  o 680.5864 27.60568 4690.477   374.4213 4690.477   374.4213 4690.477   374.4213 680.5864 27.60568 680.5864 27.60568 -0.000000 0.000000 
1 1 1 15 0  7  o 292.2618 13.15964 860.6017   76.58617 860.6017   76.58617 860.6017   76.58617 292.2618 13.15964 292.2618 13.15964 -0.000000 0.000000 
1 1 1 15 0  8  o 304.6898 13.36807 935.4859   81.12460 935.4859   81.12460 935.4859   81.12460 304.6898 13.36807 304.6898 13.36807 -0.000000 0.000000 
1 1 1 15 0  9  o 42.35471 21.35191 26.66333   22.12490 26.66333   22.12490 26.66333   22.12490 42.35471 21.35191 42.35471 21.35191 -0.000000 0.000000 
1 1 1 15 0  10 o 148.8788 11.17559 225.7874   32.90369 225.7874   32.90369 225.7874   32.90369 148.8788 11.17559 148.8788 11.17559 -0.000000 0.000000 
1 1 1 15 0  11 o 106.4146 12.27320 117.9994   25.52872 117.9994   25.52872 117.9994   25.52872 106.4146 12.27320 106.4146 12.27320 -0.000000 0.000000 
1 1 1 15 0  12 o 23.12750 16.02492 -15.88454  23.82681 -15.88454  23.82681 -15.88454  23.82681 23.12750 16.02492 23.12750 16.02492 -0.000000 0.000000 
1 1 1 15 0  13 o 28.50400 18.42701 1.134610   23.82681 1.134610   23.82681 1.134610   23.82681 28.50400 18.42701 28.50400 18.42701 -0.000000 0.000000 
1 1 1 15 0  14 o 333.1080 13.33022 1122.697   88.49958 1122.697   88.49958 1122.697   88.49958 333.1080 13.33022 333.1080 13.33022 -0.000000 0.000000 
1 1 1 15 0  15 o 183.2513 10.12621 340.9503   36.87482 340.9503   36.87482 340.9503   36.87482 183.2513 10.12621 183.2513 10.12621 -0.000000 0.000000 
1 1 1 15 0  16 o 22.16019 15.42060 -17.58645  23.25950 -17.58645  23.25950 -17.58645  23.25950 22.16019 15.42060 22.16019 15.42060 -0.000000 0.000000 
1 1 1 15 0  17 o 150.9293 9.473754 233.1623   28.36525 233.1623   28.36525 233.1623   28.36525 150.9293 9.473754 150.9293 9.473754 -0.000000 0.000000 
1 1 1 15 0  18 o 216.1571 12.01947 482.2092   51.62476 482.2092   51.62476 482.2092   51.62476 216.1571 12.01947 216.1571 12.01947 -0.000000 0.000000 
1 1 1 15 1  0  o 372.5478 10.14306 1393.301   75.45156 1393.301   75.45156 1393.301   75.45156 372.5478 10.14306 372.5478 10.14306 -0.000000 0.000000 
1 1 1 15 1  1  o 121.8487 5.819768 148.6339   14.18262 148.6339   14.18262 ?          ?        121.8487 5.819768 ?        ?        ?         ?        
1 1 1 15 1  2  o 248.6313 6.046535 618.9297   30.06716 618.9297   30.06716 ?          ?        248.6313 6.046535 ?        ?        ?         ?        
1 1 1 15 1  3  o 248.1586 5.943751 616.6605   29.49986 616.6605   29.49986 ?          ?        248.1586 5.943751 ?        ?        ?         ?        
1 1 1 15 1  4  o 292.0407 6.701812 854.3613   39.14404 854.3613   39.14404 ?          ?        292.0407 6.701812 ?        ?        ?         ?        
1 1 1 15 1  5  o 167.3125 6.272777 280.2487   20.99029 280.2487   20.99029 ?          ?        167.3125 6.272777 ?        ?        ?         ?        
1 1 1 15 1  6  o 489.6935 14.07565 2407.642   137.8551 2407.642   137.8551 ?          ?        489.6935 14.07565 ?        ?        ?         ?        
1 1 1 15 1  7  o 154.1113 6.994161 237.7008   21.55759 237.7008   21.55759 ?          ?        154.1113 6.994161 ?        ?        ?         ?        
1 1 1 15 1  8  o 396.9122 11.57730 1579.944   91.90340 1579.944   91.90340 ?          ?        396.9122 11.57730 ?        ?        ?         ?        
1 1 1 15 1  9  o 31.80756 13.44893 0.5673050  14.74993 0.5673050  14.74993 ?          ?        31.80756 13.44893 ?        ?        ?         ?        
1 1 1 15 1  10 o 495.7559 13.96074 2472.315   138.4224 2472.315   138.4224 ?          ?        495.7559 13.96074 ?        ?        ?         ?        
1 1 1 15 1  11 o 338.2473 8.469810 1147.091   57.29780 1147.091   57.29780 ?          ?        338.2473 8.469810 ?        ?        ?         ?        
1 1 1 15 1  12 o 258.8596 7.780020 671.6891   40.27865 671.6891   40.27865 ?          ?        258.8596 7.780020 ?        ?        ?         ?        
1 1 1 15 1  13 o 273.2633 8.096549 749.4099   44.24979 749.4099   44.24979 ?          ?        273.2633 8.096549 ?        ?        ?         ?        
1 1 1 15 1  14 o 55.86047 14.57391 32.90369   16.45185 32.90369   16.45185 ?          ?        55.86047 14.57391 ?        ?        ?         ?        
1 1 1 15 1  15 o 184.5469 7.070296 342.6522   26.09603 342.6522   26.09603 ?          ?        184.5469 7.070296 ?        ?        ?         ?        
1 1 1 15 1  16 f 147.7790 6.909975 220.1143   20.42298 220.1143   20.42298 ?          ?        147.7790 6.909975 ?        ?        ?         ?        
1 1 1 15 1  17 o 78.12674 10.89201 62.97085   17.01915 62.97085   17.01915 ?          ?        78.12674 10.89201 ?        ?        ?         ?        
1 1 1 15 1  18 o 186.6687 6.686021 353.4310   24.96142 353.4310   24.96142 ?          ?        186.6687 6.686021 ?        ?        ?         ?        
1 1 1 15 2  0  o 281.7921 8.371085 797.0634   47.08631 797.0634   47.08631 797.0634   47.08631 281.7921 8.371085 281.7921 8.371085 -0.000000 0.000000 
1 1 1 15 2  1  o 185.6296 5.501003 344.9214   20.42298 344.9214   20.42298 ?          ?        185.6296 5.501003 ?        ?        ?         ?        
1 1 1 15 2  2  o 244.8850 5.096559 600.2086   24.96142 600.2086   24.96142 ?          ?        244.8850 5.096559 ?        ?        ?         ?        
1 1 1 15 2  3  f 180.0265 5.672216 324.4984   20.42298 324.4984   20.42298 ?          ?        180.0265 5.672216 ?        ?        ?         ?        
1 1 1 15 2  4  o 206.7798 6.721631 428.3152   27.79794 428.3152   27.79794 ?          ?        206.7798 6.721631 ?        ?        ?         ?        
1 1 1 15 2  5  o 163.5399 6.417481 267.7679   20.99029 267.7679   20.99029 ?          ?        163.5399 6.417481 ?        ?        ?         ?        
1 1 1 15 2  6  o 350.2302 10.52874 1229.350   73.74965 1229.350   73.74965 ?          ?        350.2302 10.52874 ?        ?        ?         ?        
1 1 1 15 2  7  o 218.4583 7.271199 477.6707   31.76908 477.6707   31.76908 ?          ?        218.4583 7.271199 ?        ?        ?         ?        
1 1 1 15 2  8  o 245.7390 8.195412 604.7471   40.27865 604.7471   40.27865 ?          ?        245.7390 8.195412 ?        ?        ?         ?        
1 1 1 15 2  9  o 354.3832 11.60597 1259.984   82.25922 1259.984   82.25922 ?          ?        354.3832 11.60597 ?        ?        ?         ?        
1 1 1 15 2  10 o 253.2025 10.64246 643.3238   53.89397 643.3238   53.89397 ?          ?        253.2025 10.64246 ?        ?        ?         ?        
1 1 1 15 2  11 o 306.2443 7.965574 940.0243   48.78823 940.0243   48.78823 ?          ?        306.2443 7.965574 ?        ?        ?         ?        
1 1 1 15 2  12 o 146.8768 6.952420 216.1432   20.42298 216.1432   20.42298 ?          ?        146.8768 6.952420 ?        ?        ?         ?        
1 1 1 15 2  13 o 65.36898 13.87187 44.81709   17.58645 44.81709   17.58645 ?          ?        65.36898 13.87187 ?        ?        ?         ?        
1 1 1 15 2  14 o 230.4865 6.891745 533.2667   31.76908 533.2667   31.76908 ?          ?        230.4865 6.891745 ?        ?        ?         ?        
1 1 1 15 2  15 o 70.95181 10.79411 51.05745   15.31723 51.05745   15.31723 ?          ?        70.95181 10.79411 ?        ?        ?         ?        
1 1 1 15 2  16 o 116.6216 7.539966 137.2878   17.58645 137.2878   17.58645 ?          ?        116.6216 7.539966 ?        ?        ?         ?        
1 1 1 15 2  17 o 96.26754 9.134155 94.73994   17.58645 94.73994   17.58645 ?          ?        96.26754 9.134155 ?        ?        ?         ?        
1 1 1 15 2  18 o 171.2601 6.956324 297.8351   23.82681 297.8351   23.82681 ?          ?        171.2601 6.956324 ?        ?        ?         ?        
1 1 1 15 3  0  o 367.8297 9.964030 1358.128   73.18234 1358.128   73.18234 1358.128   73.18234 367.8297 9.964030 367.8297 9.964030 -0.000000 0.000000 
1 1 1 15 3  1  o 276.0753 5.856442 763.0251   32.33638 763.0251   32.33638 ?          ?        276.0753 5.856442 ?        ?        ?         ?        
1 1 1 15 3  2  o 168.0147 4.895953 282.5179   16.45185 282.5179   16.45185 ?          ?        168.0147 4.895953 ?        ?        ?         ?        
1 1 1 15 3  3  f 284.3287 7.282639 810.1115   41.41326 810.1115   41.41326 ?          ?        284.3287 7.282639 ?        ?        ?         ?        
1 1 1 15 3  4  o 327.2245 8.061647 1073.341   52.75936 1073.341   52.75936 ?          ?        327.2245 8.061647 ?        ?        ?         ?        
1 1 1 15 3  5  o 47.54557 13.61732 23.25950   13.61532 23.25950   13.61532 ?          ?        47.54557 13.61732 ?        ?        ?         ?        
1 1 1 15 3  6  f 595.2364 19.77631 3570.617   235.4316 3570.617   235.4316 ?          ?        595.2364 19.77631 ?        ?        ?         ?        
1 1 1 15 3  7  o 565.6896 16.14598 3214.350   182.6722 3214.350   182.6722 ?          ?        565.6896 16.14598 ?        ?        ?         ?        
1 1 1 15 3  8  o 209.3039 6.911614 438.5268   28.93255 438.5268   28.93255 ?          ?        209.3039 6.911614 ?        ?        ?         ?        
1 1 1 15 3  9  o 204.5173 6.241214 418.6711   25.52872 418.6711   25.52872 ?          ?        204.5173 6.241214 ?        ?        ?         ?        
1 1 1 15 3  10 o 273.1773 7.995262 747.7079   43.68248 747.7079   43.68248 ?          ?        273.1773 7.995262 ?        ?        ?         ?        
1 1 1 15 3  11 o 271.4800 7.731796 738.6310   41.98057 738.6310   41.98057 ?          ?        271.4800 7.731796 ?        ?        ?         ?        
1 1 1 15 3  12 o 349.9097 8.836029 1228.215   61.83624 1228.215   61.83624 ?          ?        349.9097 8.836029 ?        ?        ?         ?        
1 1 1 15 3  13 o 125.6056 7.678146 158.2781   19.28837 158.2781   19.28837 ?          ?        125.6056 7.678146 ?        ?        ?         ?        
1 1 1 15 3  14 o 210.8937 6.859510 446.4690   28.93255 446.4690   28.93255 ?          ?        210.8937 6.859510 ?        ?        ?         ?        
1 1 1 15 3  15 o 98.33173 8.653946 97.57646   17.01915 97.57646   17.01915 ?          ?        98.33173 8.653946 ?        ?        ?         ?        
1 1 1 15 3  16 o 160.7038 7.060255 260.3930   22.69220 260.3930   22.69220 ?          ?        160.7038 7.060255 ?        ?        ?         ?        
1 1 1 15 3  17 o 19.38715 9.647486 -36.30752  14.74993 -36.30752  14.74993 ?          ?        19.38715 9.647486 ?        ?        ?         ?        
1 1 1 15 3  18 o 21.32255 10.50186 -32.33638  15.88454 -32.33638  15.88454 ?          ?        21.32255 10.50186 ?        ?        ?         ?        
1 1 1 15 4  0  o 347.5111 11.86578 1214.600   82.25922 1214.600   82.25922 1214.600   82.25922 347.5111 11.86578 347.5111 11.86578 -0.000000 0.000000 
1 1 1 15 4  1  o 140.8371 5.639330 198.5567   15.88454 198.5567   15.88454 ?          ?        140.8371 5.639330 ?        ?        ?         ?        
1 1 1 15 4  2  o 352.7905 6.432203 1246.369   45.38440 1246.369   45.38440 ?          ?        352.7905 6.432203 ?        ?        ?         ?        
1 1 1 15 4  3  o 247.5983 5.613516 613.8239   27.79794 613.8239   27.79794 ?          ?        247.5983 5.613516 ?        ?        ?         ?        
1 1 1 15 4  4  o 138.9937 6.122272 193.4510   17.01915 193.4510   17.01915 ?          ?        138.9937 6.122272 ?        ?        ?         ?        
1 1 1 15 4  5  o 408.7142 13.88024 1679.790   113.4610 1679.790   113.4610 ?          ?        408.7142 13.88024 ?        ?        ?         ?        
1 1 1 15 4  6  f 430.0606 12.39980 1855.087   106.6533 1855.087   106.6533 ?          ?        430.0606 12.39980 ?        ?        ?         ?        
1 1 1 15 4  7  o 269.6499 7.679080 727.8522   41.41326 727.8522   41.41326 ?          ?        269.6499 7.679080 ?        ?        ?         ?        
1 1 1 15 4  8  o 64.10117 11.95021 42.54787   14.74993 42.54787   14.74993 ?          ?        64.10117 11.95021 ?        ?        ?         ?        
1 1 1 15 4  9  o 205.7568 6.341474 423.7768   26.09603 423.7768   26.09603 ?          ?        205.7568 6.341474 ?        ?        ?         ?        
1 1 1 15 4  10 o 147.1151 6.555539 216.7105   19.28837 216.7105   19.28837 ?          ?        147.1151 6.555539 ?        ?        ?         ?        
1 1 1 15 4  11 o 219.0895 7.768126 481.0746   34.03830 481.0746   34.03830 ?          ?        219.0895 7.768126 ?        ?        ?         ?        
1 1 1 15 4  12 o 207.5806 6.832345 431.7191   28.36525 431.7191   28.36525 ?          ?        207.5806 6.832345 ?        ?        ?         ?        
1 1 1 15 4  13 o 136.4191 7.277452 186.6433   19.85567 186.6433   19.85567 ?          ?        136.4191 7.277452 ?        ?        ?         ?        
1 1 1 15 4  14 o 147.7018 6.721543 218.9797   19.85567 218.9797   19.85567 ?          ?        147.7018 6.721543 ?        ?        ?         ?        
1 1 1 15 4  15 o 107.6924 7.901738 116.8648   17.01915 116.8648   17.01915 ?          ?        107.6924 7.901738 ?        ?        ?         ?        
1 1 1 15 4  16 o 37.42712 14.82376 8.509575   16.45185 8.509575   16.45185 ?          ?        37.42712 14.82376 ?        ?        ?         ?        
1 1 1 15 4  17 o 109.5644 7.766731 121.9706   17.01915 121.9706   17.01915 ?          ?        109.5644 7.766731 ?        ?        ?         ?        
1 1 1 15 4  18 o 64.29959 12.80614 44.81709   15.88454 44.81709   15.88454 ?          ?        64.29959 12.80614 ?        ?        ?         ?        
1 1 1 15 5  0  o 101.8549 9.628240 106.6533   19.28837 106.6533   19.28837 106.6533   19.28837 101.8549 9.628240 101.8549 9.628240 -0.000000 0.000000 
1 1 1 15 5  1  f 301.5911 5.643120 910.5245   34.03830 910.5245   34.03830 ?          ?        301.5911 5.643120 ?        ?        ?         ?        
1 1 1 15 5  2  o 257.0669 5.296411 661.4776   27.23064 661.4776   27.23064 ?          ?        257.0669 5.296411 ?        ?        ?         ?        
1 1 1 15 5  3  o 305.9781 6.303839 937.7551   38.57674 937.7551   38.57674 ?          ?        305.9781 6.303839 ?        ?        ?         ?        
1 1 1 15 5  4  o 167.1479 5.600149 279.6813   18.72106 279.6813   18.72106 ?          ?        167.1479 5.600149 ?        ?        ?         ?        
1 1 1 15 5  5  o 380.3241 11.18727 1451.733   85.09574 1451.733   85.09574 ?          ?        380.3241 11.18727 ?        ?        ?         ?        
1 1 1 15 5  6  o 287.1158 10.17576 825.9961   58.43241 825.9961   58.43241 ?          ?        287.1158 10.17576 ?        ?        ?         ?        
1 1 1 15 5  7  o 461.5031 15.42715 2138.740   142.3935 2138.740   142.3935 ?          ?        461.5031 15.42715 ?        ?        ?         ?        
1 1 1 15 5  8  o 44.38588 15.75065 17.01915   17.58645 17.01915   17.58645 ?          ?        44.38588 15.75065 ?        ?        ?         ?        
1 1 1 15 5  9  o 101.7967 8.638030 103.8168   17.58645 103.8168   17.58645 ?          ?        101.7967 8.638030 ?        ?        ?         ?        
1 1 1 15 5  10 o 234.6431 7.132320 551.4204   33.47099 551.4204   33.47099 ?          ?        234.6431 7.132320 ?        ?        ?         ?        
1 1 1 15 5  11 o 167.5940 6.939240 281.3832   23.25950 281.3832   23.25950 ?          ?        167.5940 6.939240 ?        ?        ?         ?        
1 1 1 15 5  12 o 255.2462 7.334511 652.9680   37.44213 652.9680   37.44213 ?          ?        255.2462 7.334511 ?        ?        ?         ?        
1 1 1 15 5  13 o 162.9084 6.790593 266.0660   22.12490 266.0660   22.12490 ?          ?        162.9084 6.790593 ?        ?        ?         ?        
1 1 1 15 5  14 f 216.3286 7.605025 470.2958   32.90369 470.2958   32.90369 ?          ?        216.3286 7.605025 ?        ?        ?         ?        
1 1 1 15 5  15 o 36.11778 13.89362 9.076880   14.18262 9.076880   14.18262 ?          ?        36.11778 13.89362 ?        ?        ?         ?        
1 1 1 15 5  16 f 188.6843 7.215928 359.1040   27.23064 359.1040   27.23064 ?          ?        188.6843 7.215928 ?        ?        ?         ?        
1 1 1 15 5  17 o 95.46076 8.914212 93.03801   17.01915 93.03801   17.01915 ?          ?        95.46076 8.914212 ?        ?        ?         ?        
1 1 1 15 5  18 o 33.39980 14.16694 2.269220   16.45185 2.269220   16.45185 ?          ?        33.39980 14.16694 ?        ?        ?         ?        
1 1 1 15 6  0  o 111.7720 8.209312 127.0763   18.15376 127.0763   18.15376 127.0763   18.15376 111.7720 8.209312 111.7720 8.209312 -0.000000 0.000000 
1 1 1 15 6  1  o 85.47089 7.301146 73.18234   12.48071 73.18234   12.48071 ?          ?        85.47089 7.301146 ?        ?        ?         ?        
1 1 1 15 6  2  o 244.8785 5.096695 600.2086   24.96142 600.2086   24.96142 ?          ?        244.8785 5.096695 ?        ?        ?         ?        
1 1 1 15 6  3  o 400.2758 8.078525 1606.608   64.67276 1606.608   64.67276 ?          ?        400.2758 8.078525 ?        ?        ?         ?        
1 1 1 15 6  4  o 300.0656 6.049930 901.4476   36.30752 901.4476   36.30752 ?          ?        300.0656 6.049930 ?        ?        ?         ?        
1 1 1 15 6  5  o 279.1462 7.824303 780.6117   43.68248 780.6117   43.68248 ?          ?        279.1462 7.824303 ?        ?        ?         ?        
1 1 1 15 6  6  o 110.1291 7.211780 121.4033   15.88454 121.4033   15.88454 ?          ?        110.1291 7.211780 ?        ?        ?         ?        
1 1 1 15 6  7  o 70.63250 12.93078 51.62476   17.58645 51.62476   17.58645 ?          ?        70.63250 12.93078 ?        ?        ?         ?        
1 1 1 15 6  8  o 38.01429 14.89304 8.509575   16.45185 8.509575   16.45185 ?          ?        38.01429 14.89304 ?        ?        ?         ?        
1 1 1 15 6  9  o 210.4714 7.681895 443.6324   32.33638 443.6324   32.33638 ?          ?        210.4714 7.681895 ?        ?        ?         ?        
1 1 1 15 6  10 o 254.7507 7.682813 650.1314   39.14404 650.1314   39.14404 ?          ?        254.7507 7.682813 ?        ?        ?         ?        
1 1 1 15 6  11 o 123.6292 7.571457 153.1723   18.72106 153.1723   18.72106 ?          ?        123.6292 7.571457 ?        ?        ?         ?        
1 1 1 15 6  12 o 312.7617 8.797206 981.4376   55.02858 981.4376   55.02858 ?          ?        312.7617 8.797206 ?        ?        ?         ?        
1 1 1 15 6  13 o 118.1808 7.680504 140.1243   18.15376 140.1243   18.15376 ?          ?        118.1808 7.680504 ?        ?        ?         ?        
1 1 1 15 6  14 o 236.0159 7.691754 559.9300   36.30752 559.9300   36.30752 ?          ?        236.0159 7.691754 ?        ?        ?         ?        
1 1 1 15 6  15 o 43.40006 16.34159 14.74993   19.28837 14.74993   19.28837 ?          ?        43.40006 16.34159 ?        ?        ?         ?        
1 1 1 15 6  16 o 191.8915 7.390961 371.5847   28.36525 371.5847   28.36525 ?          ?        191.8915 7.390961 ?        ?        ?         ?        
1 1 1 15 6  17 o 185.3390 7.346170 348.3253   27.23064 348.3253   27.23064 ?          ?        185.3390 7.346170 ?        ?        ?         ?        
1 1 1 15 6  18 o 106.4282 8.262120 115.7302   17.58645 115.7302   17.58645 ?          ?        106.4282 8.262120 ?        ?        ?         ?        
1 1 1 15 7  0  o 88.62301 9.136119 81.12460   15.88454 81.12460   15.88454 81.12460   15.88454 88.62301 9.136119 88.62301 9.136119 -0.000000 0.000000 
1 1 1 15 7  1  o 257.2904 5.291810 662.6122   27.23064 662.6122   27.23064 ?          ?        257.2904 5.291810 ?        ?        ?         ?        
1 1 1 15 7  2  o 78.18300 7.981729 61.26894   12.48071 61.26894   12.48071 ?          ?        78.18300 7.981729 ?        ?        ?         ?        
1 1 1 15 7  3  o 198.5686 5.713944 394.8442   22.69220 394.8442   22.69220 ?          ?        198.5686 5.713944 ?        ?        ?         ?        
1 1 1 15 7  4  o 420.1293 7.764285 1768.290   65.24007 1768.290   65.24007 ?          ?        420.1293 7.764285 ?        ?        ?         ?        
1 1 1 15 7  5  o 301.4346 10.82160 911.6590   65.24007 911.6590   65.24007 ?          ?        301.4346 10.82160 ?        ?        ?         ?        
1 1 1 15 7  6  o 331.4463 9.927306 1100.572   65.80738 1100.572   65.80738 ?          ?        331.4463 9.927306 ?        ?        ?         ?        
1 1 1 15 7  7  o 226.4758 7.264284 513.4110   32.90369 513.4110   32.90369 ?          ?        226.4758 7.264284 ?        ?        ?         ?        
1 1 1 15 7  8  f 303.6319 7.660429 923.0052   46.51900 923.0052   46.51900 ?          ?        303.6319 7.660429 ?        ?        ?         ?        
1 1 1 15 7  9  o 276.6326 9.536000 766.9963   52.75936 766.9963   52.75936 ?          ?        276.6326 9.536000 ?        ?        ?         ?        
1 1 1 15 7  10 o 348.4338 8.792049 1216.869   61.26894 1216.869   61.26894 ?          ?        348.4338 8.792049 ?        ?        ?         ?        
1 1 1 15 7  11 o 249.1831 7.740641 622.3336   38.57674 622.3336   38.57674 ?          ?        249.1831 7.740641 ?        ?        ?         ?        
1 1 1 15 7  12 o 360.3505 11.80736 1306.503   85.09574 1306.503   85.09574 ?          ?        360.3505 11.80736 ?        ?        ?         ?        
1 1 1 15 7  13 o 227.7365 7.348623 520.2186   33.47099 520.2186   33.47099 ?          ?        227.7365 7.348623 ?        ?        ?         ?        
1 1 1 15 7  14 o 151.3839 7.494917 230.3258   22.69220 230.3258   22.69220 ?          ?        151.3839 7.494917 ?        ?        ?         ?        
1 1 1 15 7  15 o 96.56584 8.812200 94.17262   17.01915 94.17262   17.01915 ?          ?        96.56584 8.812200 ?        ?        ?         ?        
1 1 1 15 7  16 o 169.0577 7.046944 288.1909   23.82681 288.1909   23.82681 ?          ?        169.0577 7.046944 ?        ?        ?         ?        
1 1 1 15 7  17 o 131.1190 8.004291 174.7299   20.99029 174.7299   20.99029 ?          ?        131.1190 8.004291 ?        ?        ?         ?        
1 1 1 15 7  18 f 49.37535 16.06293 26.09603   18.15376 26.09603   18.15376 ?          ?        49.37535 16.06293 ?        ?        ?         ?        
1 1 1 15 8  0  o 282.0407 7.049771 797.6307   39.71135 797.6307   39.71135 797.6307   39.71135 282.0407 7.049771 282.0407 7.049771 -0.000000 0.000000 
1 1 1 15 8  1  o 326.0016 6.351697 1064.264   41.41326 1064.264   41.41326 ?          ?        326.0016 6.351697 ?        ?        ?         ?        
1 1 1 15 8  2  o 346.5792 5.729043 1202.687   39.71135 1202.687   39.71135 ?          ?        346.5792 5.729043 ?        ?        ?         ?        
1 1 1 15 8  3  o 246.3057 5.988464 607.5836   29.49986 607.5836   29.49986 ?          ?        246.3057 5.988464 ?        ?        ?         ?        
1 1 1 15 8  4  o 224.9838 5.421304 506.6033   24.39412 506.6033   24.39412 ?          ?        224.9838 5.421304 ?        ?        ?         ?        
1 1 1 15 8  5  o 303.1936 7.671501 920.7360   46.51900 920.7360   46.51900 ?          ?        303.1936 7.671501 ?        ?        ?         ?        
1 1 1 15 8  6  o 674.5536 22.41286 4591.767   302.3735 4591.767   302.3735 ?          ?        674.5536 22.41286 ?        ?        ?         ?        
1 1 1 15 8  7  o 83.47141 8.835318 69.77851   14.74993 69.77851   14.74993 ?          ?        83.47141 8.835318 ?        ?        ?         ?        
1 1 1 15 8  8  o 94.61860 7.794413 89.63419   14.74993 89.63419   14.74993 ?          ?        94.61860 7.794413 ?        ?        ?         ?        
1 1 1 15 8  9  o 534.9208 16.65048 2881.342   178.1338 2881.342   178.1338 ?          ?        534.9208 16.65048 ?        ?        ?         ?        
1 1 1 15 8  10 o 81.00584 9.804564 65.80738   15.88454 65.80738   15.88454 ?          ?        81.00584 9.804564 ?        ?        ?         ?        
1 1 1 15 8  11 o 163.2980 7.295501 267.2006   23.82681 267.2006   23.82681 ?          ?        163.2980 7.295501 ?        ?        ?         ?        
1 1 1 15 8  12 o 153.9458 8.107212 237.7008   24.96142 237.7008   24.96142 ?          ?        153.9458 8.107212 ?        ?        ?         ?        
1 1 1 15 8  13 o 32.72998 14.56277 -7.374964  19.28837 -7.374964  19.28837 ?          ?        32.72998 14.56277 ?        ?        ?         ?        
1 1 1 15 8  14 o 95.22701 8.936093 91.33610   17.01915 91.33610   17.01915 ?          ?        95.22701 8.936093 ?        ?        ?         ?        
1 1 1 15 8  15 o 68.05746 11.25316 47.08631   15.31723 47.08631   15.31723 ?          ?        68.05746 11.25316 ?        ?        ?         ?        
1 1 1 15 8  16 o 163.3485 7.640540 269.4698   24.96142 269.4698   24.96142 ?          ?        163.3485 7.640540 ?        ?        ?         ?        
1 1 1 15 8  17 o 66.68566 12.79167 47.65361   16.45185 47.65361   16.45185 ?          ?        66.68566 12.79167 ?        ?        ?         ?        
1 1 1 15 8  18 o 94.78422 9.576362 92.47070   18.15376 92.47070   18.15376 ?          ?        94.78422 9.576362 ?        ?        ?         ?        
1 1 1 15 9  0  f 28.80285 16.83937 10.21149   15.88454 10.21149   15.88454 10.21149   15.88454 28.80285 16.83937 28.80285 16.83937 -0.000000 0.000000 
1 1 1 15 9  1  o 202.5659 5.181099 410.7288   20.99029 410.7288   20.99029 ?          ?        202.5659 5.181099 ?        ?        ?         ?        
1 1 1 15 9  2  o 224.2271 4.554084 503.1995   20.42298 503.1995   20.42298 ?          ?        224.2271 4.554084 ?        ?        ?         ?        
1 1 1 15 9  3  o 387.2179 7.545160 1502.791   58.43241 1502.791   58.43241 ?          ?        387.2179 7.545160 ?        ?        ?         ?        
1 1 1 15 9  4  o 218.8464 5.702954 479.3727   24.96142 479.3727   24.96142 ?          ?        218.8464 5.702954 ?        ?        ?         ?        
1 1 1 15 9  5  o 259.1227 6.896387 672.2563   35.74022 672.2563   35.74022 ?          ?        259.1227 6.896387 ?        ?        ?         ?        
1 1 1 15 9  6  o 469.3645 13.53706 2210.220   127.0763 2210.220   127.0763 ?          ?        469.3645 13.53706 ?        ?        ?         ?        
1 1 1 15 9  7  o 109.6178 6.727892 120.2687   14.74993 120.2687   14.74993 ?          ?        109.6178 6.727892 ?        ?        ?         ?        
1 1 1 15 9  8  o 687.4900 19.51557 4761.958   268.3353 4761.958   268.3353 ?          ?        687.4900 19.51557 ?        ?        ?         ?        
1 1 1 15 9  9  o 496.6455 15.70626 2481.959   156.0089 2481.959   156.0089 ?          ?        496.6455 15.70626 ?        ?        ?         ?        
1 1 1 15 9  10 o 458.8682 12.91948 2116.048   118.5667 2116.048   118.5667 ?          ?        458.8682 12.91948 ?        ?        ?         ?        
1 1 1 15 9  11 o 62.48498 13.54587 40.84595   16.45185 40.84595   16.45185 ?          ?        62.48498 13.54587 ?        ?        ?         ?        
1 1 1 15 9  12 o 274.9705 8.252594 758.4867   45.38440 758.4867   45.38440 ?          ?        274.9705 8.252594 ?        ?        ?         ?        
1 1 1 15 9  13 o 178.7574 7.140608 320.5273   25.52872 320.5273   25.52872 ?          ?        178.7574 7.140608 ?        ?        ?         ?        
1 1 1 15 9  14 o 78.58369 10.82868 62.40355   17.01915 62.40355   17.01915 ?          ?        78.58369 10.82868 ?        ?        ?         ?        
1 1 1 15 9  15 o 112.0099 7.850401 126.5090   17.58645 126.5090   17.58645 ?          ?        112.0099 7.850401 ?        ?        ?         ?        
1 1 1 15 9  16 f 264.8969 8.138104 709.6985   43.11518 709.6985   43.11518 ?          ?        264.8969 8.138104 ?        ?        ?         ?        
1 1 1 15 9  17 o 136.7151 7.469175 189.4799   20.42298 189.4799   20.42298 ?          ?        136.7151 7.469175 ?        ?        ?         ?        
1 1 1 15 9  18 o 187.7930 7.854353 359.6714   29.49986 359.6714   29.49986 ?          ?        187.7930 7.854353 ?        ?        ?         ?        
1 1 1 15 10 0  o 42.74503 19.29067 26.66333   17.58645 26.66333   17.58645 26.66333   17.58645 42.74503 19.29067 42.74503 19.29067 -0.000000 0.000000 
1 1 1 15 10 1  o 264.1455 4.832322 698.3524   25.52872 698.3524   25.52872 ?          ?        264.1455 4.832322 ?        ?        ?         ?        
1 1 1 15 10 2  o 208.2240 4.767864 433.9883   19.85567 433.9883   19.85567 ?          ?        208.2240 4.767864 ?        ?        ?         ?        
1 1 1 15 10 3  o 76.71079 8.504680 58.99971   13.04801 58.99971   13.04801 ?          ?        76.71079 8.504680 ?        ?        ?         ?        
1 1 1 15 10 4  o 426.9191 9.567611 1827.289   81.69191 1827.289   81.69191 ?          ?        426.9191 9.567611 ?        ?        ?         ?        
1 1 1 15 10 5  o 191.0268 7.127441 365.3444   27.23064 365.3444   27.23064 ?          ?        191.0268 7.127441 ?        ?        ?         ?        
1 1 1 15 10 6  o 171.0311 6.468093 292.7294   22.12490 292.7294   22.12490 ?          ?        171.0311 6.468093 ?        ?        ?         ?        
1 1 1 15 10 7  o 346.5445 9.658499 1203.254   66.94199 1203.254   66.94199 ?          ?        346.5445 9.658499 ?        ?        ?         ?        
1 1 1 15 10 8  o 194.6058 5.684542 378.9597   22.12490 378.9597   22.12490 ?          ?        194.6058 5.684542 ?        ?        ?         ?        
1 1 1 15 10 9  o 240.5256 6.839955 579.2183   32.90369 579.2183   32.90369 ?          ?        240.5256 6.839955 ?        ?        ?         ?        
1 1 1 15 10 10 o 250.3090 10.42552 628.5739   52.19205 628.5739   52.19205 ?          ?        250.3090 10.42552 ?        ?        ?         ?        
1 1 1 15 10 11 o 426.5468 12.23595 1829.558   104.3841 1829.558   104.3841 ?          ?        426.5468 12.23595 ?        ?        ?         ?        
1 1 1 15 10 12 o 260.1801 8.176620 679.0640   42.54787 679.0640   42.54787 ?          ?        260.1801 8.176620 ?        ?        ?         ?        
1 1 1 15 10 13 o 153.1837 7.221686 235.4316   22.12490 235.4316   22.12490 ?          ?        153.1837 7.221686 ?        ?        ?         ?        
1 1 1 15 10 14 o 138.3266 7.587220 192.3164   20.99029 192.3164   20.99029 ?          ?        138.3266 7.587220 ?        ?        ?         ?        
1 1 1 15 10 15 o 85.69276 9.268309 74.31695   15.88454 74.31695   15.88454 ?          ?        85.69276 9.268309 ?        ?        ?         ?        
1 1 1 15 10 16 o 102.0593 8.615802 105.5187   17.58645 105.5187   17.58645 ?          ?        102.0593 8.615802 ?        ?        ?         ?        
1 1 1 15 10 17 o 283.6264 10.80099 827.6979   61.26894 827.6979   61.26894 ?          ?        283.6264 10.80099 ?        ?        ?         ?        
1 1 1 15 10 18 o 83.04359 13.66282 73.18234   22.69220 73.18234   22.69220 ?          ?        83.04359 13.66282 ?        ?        ?         ?        
1 1 1 15 11 0  o 256.0233 6.880077 657.5065   35.17290 657.5065   35.17290 657.5065   35.17290 256.0233 6.880077 256.0233 6.880077 -0.000000 0.000000 
1 1 1 15 11 1  f 138.4053 4.918643 191.7491   13.61532 191.7491   13.61532 ?          ?        138.4053 4.918643 ?        ?        ?         ?        
1 1 1 15 11 2  o 191.9252 5.024971 368.7482   19.28837 368.7482   19.28837 ?          ?        191.9252 5.024971 ?        ?        ?         ?        
1 1 1 15 11 3  o 400.3330 7.368829 1605.473   58.99971 1605.473   58.99971 ?          ?        400.3330 7.368829 ?        ?        ?         ?        
1 1 1 15 11 4  o 192.5314 5.598462 371.0175   21.55759 371.0175   21.55759 ?          ?        192.5314 5.598462 ?        ?        ?         ?        
1 1 1 15 11 5  o 318.6729 8.723033 1017.178   55.59589 1017.178   55.59589 ?          ?        318.6729 8.723033 ?        ?        ?         ?        
1 1 1 15 11 6  o 633.1602 16.12781 4026.730   204.2298 4026.730   204.2298 ?          ?        633.1602 16.12781 ?        ?        ?         ?        
1 1 1 15 11 7  o 464.6212 13.43106 2167.105   124.8071 2167.105   124.8071 ?          ?        464.6212 13.43106 ?        ?        ?         ?        
1 1 1 15 11 8  o 179.2749 6.328885 321.6619   22.69220 321.6619   22.69220 ?          ?        179.2749 6.328885 ?        ?        ?         ?        
1 1 1 15 11 9  o 202.1291 6.595621 409.0269   26.66333 409.0269   26.66333 ?          ?        202.1291 6.595621 ?        ?        ?         ?        
1 1 1 15 11 10 o 287.3499 7.600924 827.1306   43.68248 827.1306   43.68248 ?          ?        287.3499 7.600924 ?        ?        ?         ?        
1 1 1 15 11 11 o 409.5197 10.87455 1684.328   89.06688 1684.328   89.06688 ?          ?        409.5197 10.87455 ?        ?        ?         ?        
1 1 1 15 11 12 o 124.9267 8.401043 156.5762   20.99029 156.5762   20.99029 ?          ?        124.9267 8.401043 ?        ?        ?         ?        
1 1 1 15 11 13 o 297.2314 8.588838 887.8322   51.05745 887.8322   51.05745 ?          ?        297.2314 8.588838 ?        ?        ?         ?        
1 1 1 15 11 14 o 182.5628 8.234746 335.2772   30.06716 335.2772   30.06716 ?          ?        182.5628 8.234746 ?        ?        ?         ?        
1 1 1 15 11 15 o 294.5958 10.68767 882.1592   62.97085 882.1592   62.97085 ?          ?        294.5958 10.68767 ?        ?        ?         ?        
1 1 1 15 11 16 o 131.1299 8.436250 174.1626   22.12490 174.1626   22.12490 ?          ?        131.1299 8.436250 ?        ?        ?         ?        
1 1 1 15 11 17 o 176.0009 7.574771 314.2870   26.66333 314.2870   26.66333 ?          ?        176.0009 7.574771 ?        ?        ?         ?        
1 1 1 15 11 18 o 203.4463 7.668308 422.0749   31.20177 422.0749   31.20177 ?          ?        203.4463 7.668308 ?        ?        ?         ?        
1 1 1 15 12 0  o 48.99937 18.15452 32.33638   16.45185 32.33638   16.45185 32.33638   16.45185 48.99937 18.15452 48.99937 18.15452 -0.000000 0.000000 
1 1 1 15 12 1  o 198.8806 5.134482 395.9789   20.42298 395.9789   20.42298 ?          ?        198.8806 5.134482 ?        ?        ?         ?        
1 1 1 15 12 2  o 317.8730 7.406466 1012.639   47.08631 1012.639   47.08631 ?          ?        317.8730 7.406466 ?        ?        ?         ?        
1 1 1 15 12 3  o 470.4379 7.778109 2217.028   73.18234 2217.028   73.18234 ?          ?        470.4379 7.778109 ?        ?        ?         ?        
1 1 1 15 12 4  o 327.0819 7.631551 1071.639   49.92284 1071.639   49.92284 ?          ?        327.0819 7.631551 ?        ?        ?         ?        
1 1 1 15 12 5  o 150.4060 5.469145 226.3547   16.45185 226.3547   16.45185 ?          ?        150.4060 5.469145 ?        ?        ?         ?        
1 1 1 15 12 6  o 639.1107 18.10801 4107.288   231.4604 4107.288   231.4604 ?          ?        639.1107 18.10801 ?        ?        ?         ?        
1 1 1 15 12 7  o 232.4256 5.979967 540.6417   27.79794 540.6417   27.79794 ?          ?        232.4256 5.979967 ?        ?        ?         ?        
1 1 1 15 12 8  o 418.7639 13.27619 1760.347   111.1918 1760.347   111.1918 ?          ?        418.7639 13.27619 ?        ?        ?         ?        
1 1 1 15 12 9  o 190.5448 7.592062 363.6425   28.93255 363.6425   28.93255 ?          ?        190.5448 7.592062 ?        ?        ?         ?        
1 1 1 15 12 10 o 84.41534 10.08060 71.48043   17.01915 71.48043   17.01915 ?          ?        84.41534 10.08060 ?        ?        ?         ?        
1 1 1 15 12 11 o 170.1189 6.836249 289.8928   23.25950 289.8928   23.25950 ?          ?        170.1189 6.836249 ?        ?        ?         ?        
1 1 1 15 12 12 o 187.4151 10.14044 352.8637   38.00943 352.8637   38.00943 ?          ?        187.4151 10.14044 ?        ?        ?         ?        
1 1 1 15 12 13 o 147.2127 8.670695 217.8451   25.52872 217.8451   25.52872 ?          ?        147.2127 8.670695 ?        ?        ?         ?        
1 1 1 15 12 14 o 212.3871 7.345497 453.2767   31.20177 453.2767   31.20177 ?          ?        212.3871 7.345497 ?        ?        ?         ?        
1 1 1 15 12 15 o 232.3668 7.690473 544.6128   35.74022 544.6128   35.74022 ?          ?        232.3668 7.690473 ?        ?        ?         ?        
1 1 1 15 12 16 o 131.5220 7.332756 174.7299   19.28837 174.7299   19.28837 ?          ?        131.5220 7.332756 ?        ?        ?         ?        
1 1 1 15 12 17 o 195.0822 7.560880 386.3347   29.49986 386.3347   29.49986 ?          ?        195.0822 7.560880 ?        ?        ?         ?        
1 1 1 15 12 18 o 62.63782 13.51721 43.11518   16.45185 43.11518   16.45185 ?          ?        62.63782 13.51721 ?        ?        ?         ?        
1 1 1 15 13 0  o 71.71333 16.36842 58.99971   20.42298 58.99971   20.42298 58.99971   20.42298 71.71333 16.36842 71.71333 16.36842 -0.000000 0.000000 
1 1 1 15 13 1  o 227.1992 5.368441 516.8148   24.39412 516.8148   24.39412 ?          ?        227.1992 5.368441 ?        ?        ?         ?        
1 1 1 15 13 2  o 295.4161 5.569040 873.6497   32.90369 873.6497   32.90369 ?          ?        295.4161 5.569040 ?        ?        ?         ?        
1 1 1 15 13 3  o 388.5880 6.642607 1511.868   51.62476 1511.868   51.62476 ?          ?        388.5880 6.642607 ?        ?        ?         ?        
1 1 1 15 13 4  o 273.0774 6.440099 746.5733   35.17290 746.5733   35.17290 ?          ?        273.0774 6.440099 ?        ?        ?         ?        
1 1 1 15 13 5  o 196.3443 5.923142 385.7674   23.25950 385.7674   23.25950 ?          ?        196.3443 5.923142 ?        ?        ?         ?        
1 1 1 15 13 6  o 462.6960 11.95434 2146.115   110.6245 2146.115   110.6245 ?          ?        462.6960 11.95434 ?        ?        ?         ?        
1 1 1 15 13 7  o 546.6254 15.82693 3004.447   173.0280 3004.447   173.0280 ?          ?        546.6254 15.82693 ?        ?        ?         ?        
1 1 1 15 13 8  o 177.9559 7.810345 317.1235   27.79794 317.1235   27.79794 ?          ?        177.9559 7.810345 ?        ?        ?         ?        
1 1 1 15 13 9  o 468.7642 13.31235 2208.518   124.8071 2208.518   124.8071 ?          ?        468.7642 13.31235 ?        ?        ?         ?        
1 1 1 15 13 10 o 200.4981 7.922537 402.7865   31.76908 402.7865   31.76908 ?          ?        200.4981 7.922537 ?        ?        ?         ?        
1 1 1 15 13 11 o 183.1862 8.361563 336.4118   30.63447 336.4118   30.63447 ?          ?        183.1862 8.361563 ?        ?        ?         ?        
1 1 1 15 13 12 o 35.96597 15.04910 2.269220   18.15376 2.269220   18.15376 ?          ?        35.96597 15.04910 ?        ?        ?         ?        
1 1 1 15 13 13 o 269.2611 7.479478 727.8522   40.27865 727.8522   40.27865 ?          ?        269.2611 7.479478 ?        ?        ?         ?        
1 1 1 15 13 14 o 61.49181 12.42825 39.71135   14.74993 39.71135   14.74993 ?          ?        61.49181 12.42825 ?        ?        ?         ?        
1 1 1 15 13 15 o 118.1334 7.443470 140.6916   17.58645 140.6916   17.58645 ?          ?        118.1334 7.443470 ?        ?        ?         ?        
1 1 1 15 13 16 o 28.46832 12.59652 -3.971134  14.18262 -3.971134  14.18262 ?          ?        28.46832 12.59652 ?        ?        ?         ?        
1 1 1 15 13 17 o 93.68775 8.780147 89.63419   16.45185 89.63419   16.45185 ?          ?        93.68775 8.780147 ?        ?        ?         ?        
1 1 1 15 13 18 o 89.28564 9.530731 82.25922   17.01915 82.25922   17.01915 ?          ?        89.28564 9.530731 ?        ?        ?         ?        
1 1 1 15 14 0  o 255.5428 9.575293 656.9391   48.78823 656.9391   48.78823 656.9391   48.78823 255.5428 9.575293 255.5428 9.575293 -0.000000 0.000000 
1 1 1 15 14 1  o 185.1692 5.208309 343.2195   19.28837 343.2195   19.28837 ?          ?        185.1692 5.208309 ?        ?        ?         ?        
1 1 1 15 14 2  o 246.0324 5.533954 605.8817   27.23064 605.8817   27.23064 ?          ?        246.0324 5.533954 ?        ?        ?         ?        
1 1 1 15 14 3  o 282.5122 8.835519 799.9000   49.92284 799.9000   49.92284 ?          ?        282.5122 8.835519 ?        ?        ?         ?        
1 1 1 15 14 4  o 258.7058 6.468929 669.9872   33.47099 669.9872   33.47099 ?          ?        258.7058 6.468929 ?        ?        ?         ?        
1 1 1 15 14 5  o 189.4287 6.438866 359.1040   24.39412 359.1040   24.39412 ?          ?        189.4287 6.438866 ?        ?        ?         ?        
1 1 1 15 14 6  o 279.2646 7.211556 780.6117   40.27865 780.6117   40.27865 ?          ?        279.2646 7.211556 ?        ?        ?         ?        
1 1 1 15 14 7  o 247.5281 9.282118 613.8239   45.95170 613.8239   45.95170 ?          ?        247.5281 9.282118 ?        ?        ?         ?        
1 1 1 15 14 8  o 106.6026 11.97378 114.0283   25.52872 114.0283   25.52872 ?          ?        106.6026 11.97378 ?        ?        ?         ?        
1 1 1 15 14 9  f 427.9583 13.52120 1841.472   115.7302 1841.472   115.7302 ?          ?        427.9583 13.52120 ?        ?        ?         ?        
1 1 1 15 14 10 o 152.0326 6.530072 231.4604   19.85567 231.4604   19.85567 ?          ?        152.0326 6.530072 ?        ?        ?         ?        
1 1 1 15 14 11 o 280.3132 7.690537 787.4193   43.11518 787.4193   43.11518 ?          ?        280.3132 7.690537 ?        ?        ?         ?        
1 1 1 15 14 12 o 233.4852 6.924718 546.3147   32.33638 546.3147   32.33638 ?          ?        233.4852 6.924718 ?        ?        ?         ?        
1 1 1 15 14 13 o 309.4301 8.891926 962.7164   55.02858 962.7164   55.02858 ?          ?        309.4301 8.891926 ?        ?        ?         ?        
1 1 1 15 14 14 o 291.0550 7.796533 852.6594   45.38440 852.6594   45.38440 ?          ?        291.0550 7.796533 ?        ?        ?         ?        
1 1 1 15 14 15 o 91.35403 9.314941 84.52843   17.01915 84.52843   17.01915 ?          ?        91.35403 9.314941 ?        ?        ?         ?        
1 1 1 15 14 16 f 120.9652 7.503708 148.0666   18.15376 148.0666   18.15376 ?          ?        120.9652 7.503708 ?        ?        ?         ?        
1 1 1 15 14 17 o 287.4438 8.683930 843.5825   49.92284 843.5825   49.92284 ?          ?        287.4438 8.683930 ?        ?        ?         ?        
1 1 1 15 14 18 o 39.63028 12.68204 16.45185   11.34610 16.45185   11.34610 ?          ?        39.63028 12.68204 ?        ?        ?         ?        
1 1 1 15 15 0  o 275.1962 7.329680 759.6213   40.27865 759.6213   40.27865 759.6213   40.27865 275.1962 7.329680 275.1962 7.329680 -0.000000 0.000000 
1 1 1 15 15 1  o 495.2307 8.935186 2458.700   88.49958 2458.700   88.49958 ?          ?        495.2307 8.935186 ?        ?        ?         ?        
1 1 1 15 15 2  o 126.8839 5.141713 161.1146   13.04801 161.1146   13.04801 ?          ?        126.8839 5.141713 ?        ?        ?         ?        
1 1 1 15 15 3  o 239.1082 6.405983 572.4106   30.63447 572.4106   30.63447 ?          ?        239.1082 6.405983 ?        ?        ?         ?        
1 1 1 15 15 4  o 84.82569 7.691074 72.04772   13.04801 72.04772   13.04801 ?          ?        84.82569 7.691074 ?        ?        ?         ?        
1 1 1 15 15 5  o 601.7599 15.46099 3636.425   186.0760 3636.425   186.0760 ?          ?        601.7599 15.46099 ?        ?        ?         ?        
1 1 1 15 15 6  o 604.3704 17.22461 3673.300   208.2009 3673.300   208.2009 ?          ?        604.3704 17.22461 ?        ?        ?         ?        
1 1 1 15 15 7  o 453.6437 10.06694 2062.154   91.33610 2062.154   91.33610 ?          ?        453.6437 10.06694 ?        ?        ?         ?        
1 1 1 15 15 8  o 675.2213 17.05558 4591.767   230.3258 4591.767   230.3258 ?          ?        675.2213 17.05558 ?        ?        ?         ?        
1 1 1 15 15 9  o 293.7410 9.366855 865.1401   55.02858 865.1401   55.02858 ?          ?        293.7410 9.366855 ?        ?        ?         ?        
1 1 1 15 15 10 o 265.4388 8.442078 706.2947   44.81709 706.2947   44.81709 ?          ?        265.4388 8.442078 ?        ?        ?         ?        
1 1 1 15 15 11 o 554.5754 17.54366 3109.966   194.5856 3109.966   194.5856 ?          ?        554.5754 17.54366 ?        ?        ?         ?        
1 1 1 15 15 12 f 268.9995 7.592200 725.5831   40.84595 725.5831   40.84595 ?          ?        268.9995 7.592200 ?        ?        ?         ?        
1 1 1 15 15 13 f 473.8631 13.70785 2274.326   129.9128 2274.326   129.9128 ?          ?        473.8631 13.70785 ?        ?        ?         ?        
1 1 1 15 15 14 o 38.17131 14.30658 11.34610   14.74993 11.34610   14.74993 ?          ?        38.17131 14.30658 ?        ?        ?         ?        
1 1 1 15 15 15 o 119.1359 6.904657 142.9609   16.45185 142.9609   16.45185 ?          ?        119.1359 6.904657 ?        ?        ?         ?        
1 1 1 15 15 16 o 149.9890 6.240811 226.9220   18.72106 226.9220   18.72106 ?          ?        149.9890 6.240811 ?        ?        ?         ?        
1 1 1 15 15 17 o 147.9268 6.327815 221.2489   18.72106 221.2489   18.72106 ?          ?        147.9268 6.327815 ?        ?        ?         ?        
1 1 1 15 15 18 o 152.3437 9.123433 238.8354   27.79794 238.8354   27.79794 ?          ?        152.3437 9.123433 ?        ?        ?         ?        
1 1 1 15 16 0  o 97.85863 9.741068 98.71106   18.72106 98.71106   18.72106 98.71106   18.72106 97.85863 9.741068 97.85863 9.741068 -0.000000 0.000000 
1 1 1 15 16 1  o 836.6785 12.37430 7030.611   207.0663 7030.611   207.0663 ?          ?        836.6785 12.37430 ?        ?        ?         ?        
1 1 1 15 16 2  o 326.7721 7.204764 1069.370   47.08631 1069.370   47.08631 ?          ?        326.7721 7.204764 ?        ?        ?         ?        
1 1 1 15 16 3  o 463.7147 9.542459 2155.759   88.49958 2155.759   88.49958 ?          ?        463.7147 9.542459 ?        ?        ?         ?        
1 1 1 15 16 4  o 295.3390 6.915097 873.0823   40.84595 873.0823   40.84595 ?          ?        295.3390 6.915097 ?        ?        ?         ?        
1 1 1 15 16 5  o 203.4246 6.693055 414.1326   27.23064 414.1326   27.23064 ?          ?        203.4246 6.693055 ?        ?        ?         ?        
1 1 1 15 16 6  o 369.6845 10.97214 1370.042   81.12460 1370.042   81.12460 ?          ?        369.6845 10.97214 ?        ?        ?         ?        
1 1 1 15 16 7  o 649.0551 16.56320 4235.499   215.0086 4235.499   215.0086 ?          ?        649.0551 16.56320 ?        ?        ?         ?        
1 1 1 15 16 8  o 635.1813 19.73837 4073.817   250.7488 4073.817   250.7488 ?          ?        635.1813 19.73837 ?        ?        ?         ?        
1 1 1 15 16 9  o 445.4184 16.49370 2000.317   146.9320 2000.317   146.9320 ?          ?        445.4184 16.49370 ?        ?        ?         ?        
1 1 1 15 16 10 o 171.1026 7.128504 293.2967   24.39412 293.2967   24.39412 ?          ?        171.1026 7.128504 ?        ?        ?         ?        
1 1 1 15 16 11 o 275.3030 7.727463 759.6213   42.54787 759.6213   42.54787 ?          ?        275.3030 7.727463 ?        ?        ?         ?        
1 1 1 15 16 12 o 84.32490 10.09141 71.48043   17.01915 71.48043   17.01915 ?          ?        84.32490 10.09141 ?        ?        ?         ?        
1 1 1 15 16 13 o 124.6334 7.965634 156.0089   19.85567 156.0089   19.85567 ?          ?        124.6334 7.965634 ?        ?        ?         ?        
1 1 1 15 16 14 o 168.9778 6.546688 287.0563   22.12490 287.0563   22.12490 ?          ?        168.9778 6.546688 ?        ?        ?         ?        
1 1 1 15 16 15 o 200.4217 6.651809 404.4884   26.66333 404.4884   26.66333 ?          ?        200.4217 6.651809 ?        ?        ?         ?        
1 1 1 15 16 16 o 120.4287 6.359463 146.3647   15.31723 146.3647   15.31723 ?          ?        120.4287 6.359463 ?        ?        ?         ?        
1 1 1 15 16 17 o 111.3472 6.368649 125.3744   14.18262 125.3744   14.18262 ?          ?        111.3472 6.368649 ?        ?        ?         ?        
1 1 1 15 16 18 o 126.4345 11.21737 166.7877   28.36525 166.7877   28.36525 ?          ?        126.4345 11.21737 ?        ?        ?         ?        
1 1 1 15 17 0  o 320.4265 9.579401 1030.793   61.26894 1030.793   61.26894 1030.793   61.26894 320.4265 9.579401 320.4265 9.579401 -0.000000 0.000000 
1 1 1 15 17 1  o 352.3348 7.809133 1243.532   55.02858 1243.532   55.02858 ?          ?        352.3348 7.809133 ?        ?        ?         ?        
1 1 1 15 17 2  o 138.6166 5.525036 192.3164   15.31723 192.3164   15.31723 ?          ?        138.6166 5.525036 ?        ?        ?         ?        
1 1 1 15 17 3  o 838.9543 17.95324 7093.581   301.2389 7093.581   301.2389 ?          ?        838.9543 17.95324 ?        ?        ?         ?        
1 1 1 15 17 4  o 258.4272 5.927099 668.2853   30.63447 668.2853   30.63447 ?          ?        258.4272 5.927099 ?        ?        ?         ?        
1 1 1 15 17 5  o 314.8664 6.936670 992.2164   43.68248 992.2164   43.68248 ?          ?        314.8664 6.936670 ?        ?        ?         ?        
1 1 1 15 17 6  o 400.1220 10.63372 1604.906   85.09574 1604.906   85.09574 ?          ?        400.1220 10.63372 ?        ?        ?         ?        
1 1 1 15 17 7  o 529.7252 12.53002 2814.967   132.7494 2814.967   132.7494 ?          ?        529.7252 12.53002 ?        ?        ?         ?        
1 1 1 15 17 8  o 178.6153 6.669869 319.3927   23.82681 319.3927   23.82681 ?          ?        178.6153 6.669869 ?        ?        ?         ?        
1 1 1 15 17 9  o 102.5157 11.62105 105.5187   23.82681 105.5187   23.82681 ?          ?        102.5157 11.62105 ?        ?        ?         ?        
1 1 1 15 17 10 o 134.1602 7.822840 180.4030   20.99029 180.4030   20.99029 ?          ?        134.1602 7.822840 ?        ?        ?         ?        
1 1 1 15 17 11 o 164.3524 6.730932 270.6045   22.12490 270.6045   22.12490 ?          ?        164.3524 6.730932 ?        ?        ?         ?        
1 1 1 15 17 12 o 176.4114 6.913986 312.0177   24.39412 312.0177   24.39412 ?          ?        176.4114 6.913986 ?        ?        ?         ?        
1 1 1 15 17 13 o 136.8909 8.495634 188.3452   23.25950 188.3452   23.25950 ?          ?        136.8909 8.495634 ?        ?        ?         ?        
1 1 1 15 17 14 o 111.0572 7.662335 124.2398   17.01915 124.2398   17.01915 ?          ?        111.0572 7.662335 ?        ?        ?         ?        
1 1 1 15 17 15 o 100.3304 7.350680 101.5476   14.74993 101.5476   14.74993 ?          ?        100.3304 7.350680 ?        ?        ?         ?        
1 1 1 15 17 16 o 85.31855 7.646646 73.74965   13.04801 73.74965   13.04801 ?          ?        85.31855 7.646646 ?        ?        ?         ?        
1 1 1 15 17 17 o 147.6179 5.956748 220.1143   17.58645 220.1143   17.58645 ?          ?        147.6179 5.956748 ?        ?        ?         ?        
1 1 1 15 18 0  o 177.5936 10.78359 319.3927   38.00943 319.3927   38.00943 319.3927   38.00943 177.5936 10.78359 177.5936 10.78359 -0.000000 0.000000 
1 1 1 15 18 1  f 272.4407 6.559264 743.1695   35.74022 743.1695   35.74022 ?          ?        272.4407 6.559264 ?        ?        ?         ?        
1 1 1 15 18 2  o 251.3774 6.093322 632.5450   30.63447 632.5450   30.63447 ?          ?        251.3774 6.093322 ?        ?        ?         ?        
1 1 1 15 18 3  o 602.0527 12.10836 3635.858   145.7974 3635.858   145.7974 ?          ?        602.0527 12.10836 ?        ?        ?         ?        
1 1 1 15 18 4  o 81.76733 8.325647 66.94199   13.61532 66.94199   13.61532 ?          ?        81.76733 8.325647 ?        ?        ?         ?        
1 1 1 15 18 5  o 472.9945 10.31476 2241.422   97.57646 2241.422   97.57646 ?          ?        472.9945 10.31476 ?        ?        ?         ?        
1 1 1 15 18 6  o 270.1823 6.614094 730.6888   35.74022 730.6888   35.74022 ?          ?        270.1823 6.614094 ?        ?        ?         ?        
1 1 1 15 18 7  o 840.3569 21.16364 7129.889   355.7002 7129.889   355.7002 ?          ?        840.3569 21.16364 ?        ?        ?         ?        
1 1 1 15 18 8  o 323.4583 8.857064 1048.380   57.29780 1048.380   57.29780 ?          ?        323.4583 8.857064 ?        ?        ?         ?        
1 1 1 15 18 9  o 433.2180 11.39277 1884.020   98.71106 1884.020   98.71106 ?          ?        433.2180 11.39277 ?        ?        ?         ?        
1 1 1 15 18 10 o 303.4841 9.440001 924.1398   57.29780 924.1398   57.29780 ?          ?        303.4841 9.440001 ?        ?        ?         ?        
1 1 1 15 18 11 o 91.70818 10.82547 84.52843   19.85567 84.52843   19.85567 ?          ?        91.70818 10.82547 ?        ?        ?         ?        
1 1 1 15 18 12 o 102.7349 9.663544 106.0860   19.85567 106.0860   19.85567 ?          ?        102.7349 9.663544 ?        ?        ?         ?        
1 1 1 15 18 13 o 259.3390 8.421888 676.2275   43.68248 676.2275   43.68248 ?          ?        259.3390 8.421888 ?        ?        ?         ?        
1 1 1 15 18 14 o 150.0010 6.996717 226.3547   20.99029 226.3547   20.99029 ?          ?        150.0010 6.996717 ?        ?        ?         ?        
1 1 1 15 18 15 o 259.0077 7.666056 677.3621   39.71135 677.3621   39.71135 ?          ?        259.0077 7.666056 ?        ?        ?         ?        
1 1 1 15 18 16 o 93.56004 6.973070 88.49958   13.04801 88.49958   13.04801 ?          ?        93.56004 6.973070 ?        ?        ?         ?        
1 1 1 15 18 17 o 49.35004 10.64909 26.09603   10.21149 26.09603   10.21149 ?          ?        49.35004 10.64909 ?        ?        ?         ?        
1 1 1 15 19 0  f 64.28510 15.81294 48.22092   17.58645 48.22092   17.58645 48.22092   17.58645 64.28510 15.81294 64.28510 15.81294 -0.000000 0.000000 
1 1 1 15 19 1  o 399.2379 8.383721 1596.963   66.94199 1596.963   66.94199 ?          ?        399.2379 8.383721 ?        ?        ?         ?        
1 1 1 15 19 2  o 270.8213 6.179536 734.0926   33.47099 734.0926   33.47099 ?          ?        270.8213 6.179536 ?        ?        ?         ?        
1 1 1 15 19 3  o 288.0312 7.582943 830.5344   43.68248 830.5344   43.68248 ?          ?        288.0312 7.582943 ?        ?        ?         ?        
1 1 1 15 19 4  o 546.1772 12.72387 2991.399   138.9897 2991.399   138.9897 ?          ?        546.1772 12.72387 ?        ?        ?         ?        
1 1 1 15 19 5  o 598.6307 12.93571 3595.012   154.8743 3595.012   154.8743 ?          ?        598.6307 12.93571 ?        ?        ?         ?        
1 1 1 15 19 6  o 334.7007 7.457832 1121.562   49.92284 1121.562   49.92284 ?          ?        334.7007 7.457832 ?        ?        ?         ?        
1 1 1 15 19 7  o 186.6991 6.381071 348.8925   23.82681 348.8925   23.82681 ?          ?        186.6991 6.381071 ?        ?        ?         ?        
1 1 1 15 19 8  o 304.4410 8.478613 928.6782   51.62476 928.6782   51.62476 ?          ?        304.4410 8.478613 ?        ?        ?         ?        
1 1 1 15 19 9  f 209.1243 6.917548 437.9594   28.93255 437.9594   28.93255 ?          ?        209.1243 6.917548 ?        ?        ?         ?        
1 1 1 15 19 10 o 368.4680 9.930623 1362.667   73.18234 1362.667   73.18234 ?          ?        368.4680 9.930623 ?        ?        ?         ?        
1 1 1 15 19 11 o 230.6154 7.625881 533.2667   35.17290 533.2667   35.17290 ?          ?        230.6154 7.625881 ?        ?        ?         ?        
1 1 1 15 19 12 o 104.6107 10.03257 110.0572   20.99029 110.0572   20.99029 ?          ?        104.6107 10.03257 ?        ?        ?         ?        
1 1 1 15 19 13 o 225.6031 7.921036 511.7091   35.74022 511.7091   35.74022 ?          ?        225.6031 7.921036 ?        ?        ?         ?        
1 1 1 15 19 14 o 155.9374 6.730354 244.5084   20.99029 244.5084   20.99029 ?          ?        155.9374 6.730354 ?        ?        ?         ?        
1 1 1 15 19 15 o 176.9698 6.571602 315.4216   23.25950 315.4216   23.25950 ?          ?        176.9698 6.571602 ?        ?        ?         ?        
1 1 1 15 19 16 o 84.26761 7.742011 72.04772   13.04801 72.04772   13.04801 ?          ?        84.26761 7.742011 ?        ?        ?         ?        
1 1 1 15 19 17 o 29.56674 11.18874 6.807660   9.076880 6.807660   9.076880 ?          ?        29.56674 11.18874 ?        ?        ?         ?        
1 1 1 15 20 0  o 157.3582 7.791800 249.6142   24.39412 249.6142   24.39412 249.6142   24.39412 157.3582 7.791800 157.3582 7.791800 -0.000000 0.000000 
1 1 1 15 20 1  o 577.6445 13.65120 3351.071   157.7108 3351.071   157.7108 ?          ?        577.6445 13.65120 ?        ?        ?         ?        
1 1 1 15 20 2  o 215.3465 5.795640 464.0555   24.96142 464.0555   24.96142 ?          ?        215.3465 5.795640 ?        ?        ?         ?        
1 1 1 15 20 3  o 87.14056 7.812274 76.01886   13.61532 76.01886   13.61532 ?          ?        87.14056 7.812274 ?        ?        ?         ?        
1 1 1 15 20 4  o 154.1330 5.704960 237.7008   17.58645 237.7008   17.58645 ?          ?        154.1330 5.704960 ?        ?        ?         ?        
1 1 1 15 20 5  o 571.3447 13.50384 3276.753   154.3070 3276.753   154.3070 ?          ?        571.3447 13.50384 ?        ?        ?         ?        
1 1 1 15 20 6  o 244.2038 6.156164 596.8048   30.06716 596.8048   30.06716 ?          ?        244.2038 6.156164 ?        ?        ?         ?        
1 1 1 15 20 7  o 191.9468 5.911065 368.7482   22.69220 368.7482   22.69220 ?          ?        191.9468 5.911065 ?        ?        ?         ?        
1 1 1 15 20 8  o 367.9988 9.866207 1358.128   72.61504 1358.128   72.61504 ?          ?        367.9988 9.866207 ?        ?        ?         ?        
1 1 1 15 20 9  o 562.0976 15.84545 3184.283   178.1338 3184.283   178.1338 ?          ?        562.0976 15.84545 ?        ?        ?         ?        
1 1 1 15 20 10 o 216.8909 7.716090 471.4304   33.47099 471.4304   33.47099 ?          ?        216.8909 7.716090 ?        ?        ?         ?        
1 1 1 15 20 11 o 141.4684 8.621751 200.8260   24.39412 200.8260   24.39412 ?          ?        141.4684 8.621751 ?        ?        ?         ?        
1 1 1 15 20 12 f 59.64158 15.54012 37.44213   18.72106 37.44213   18.72106 ?          ?        59.64158 15.54012 ?        ?        ?         ?        
1 1 1 15 20 13 o 324.6319 11.00946 1065.399   71.48043 1065.399   71.48043 ?          ?        324.6319 11.00946 ?        ?        ?         ?        
1 1 1 15 20 14 o 115.0132 7.892036 133.3167   18.15376 133.3167   18.15376 ?          ?        115.0132 7.892036 ?        ?        ?         ?        
1 1 1 15 20 15 o 120.3119 6.601400 145.7974   15.88454 145.7974   15.88454 ?          ?        120.3119 6.601400 ?        ?        ?         ?        
1 1 1 15 20 16 o 35.33356 12.63987 11.34610   11.34610 11.34610   11.34610 ?          ?        35.33356 12.63987 ?        ?        ?         ?        
1 1 1 15 20 17 o 85.76278 16.80546 82.25922   27.79794 82.25922   27.79794 ?          ?        85.76278 16.80546 ?        ?        ?         ?        
1 1 1 15 21 0  o 271.7399 8.998658 741.4675   48.78823 741.4675   48.78823 741.4675   48.78823 271.7399 8.998658 271.7399 8.998658 -0.000000 0.000000 
1 1 1 15 21 1  o 524.1288 11.41908 2754.266   119.7014 2754.266   119.7014 ?          ?        524.1288 11.41908 ?        ?        ?         ?        
1 1 1 15 21 2  o 280.0990 6.379924 785.1501   35.74022 785.1501   35.74022 ?          ?        280.0990 6.379924 ?        ?        ?         ?        
1 1 1 15 21 3  o 527.8820 10.85428 2792.275   114.5956 2792.275   114.5956 ?          ?        527.8820 10.85428 ?        ?        ?         ?        
1 1 1 15 21 4  o 84.82832 8.359605 72.04772   14.18262 72.04772   14.18262 ?          ?        84.82832 8.359605 ?        ?        ?         ?        
1 1 1 15 21 5  o 396.4172 9.874454 1574.839   78.28809 1574.839   78.28809 ?          ?        396.4172 9.874454 ?        ?        ?         ?        
1 1 1 15 21 6  o 168.7014 5.716718 284.7871   19.28837 284.7871   19.28837 ?          ?        168.7014 5.716718 ?        ?        ?         ?        
1 1 1 15 21 7  o 113.4008 7.503981 128.7782   17.01915 128.7782   17.01915 ?          ?        113.4008 7.503981 ?        ?        ?         ?        
1 1 1 15 21 8  o 68.92065 10.28909 47.65361   14.18262 47.65361   14.18262 ?          ?        68.92065 10.28909 ?        ?        ?         ?        
1 1 1 15 21 9  o 115.0985 7.886184 132.7494   18.15376 132.7494   18.15376 ?          ?        115.0985 7.886184 ?        ?        ?         ?        
1 1 1 15 21 10 o 349.2205 8.284897 1222.542   57.86510 1222.542   57.86510 ?          ?        349.2205 8.284897 ?        ?        ?         ?        
1 1 1 15 21 11 o 74.00513 15.08781 57.29780   21.55759 57.29780   21.55759 ?          ?        74.00513 15.08781 ?        ?        ?         ?        
1 1 1 15 21 12 o 243.3400 7.693378 594.5356   37.44213 594.5356   37.44213 ?          ?        243.3400 7.693378 ?        ?        ?         ?        
1 1 1 15 21 13 o 34.69862 14.67899 1.134610   17.58645 1.134610   17.58645 ?          ?        34.69862 14.67899 ?        ?        ?         ?        
1 1 1 15 21 14 o 78.37228 10.85789 62.40355   17.01915 62.40355   17.01915 ?          ?        78.37228 10.85789 ?        ?        ?         ?        
1 1 1 15 21 15 o 133.4028 6.591487 179.2684   17.58645 179.2684   17.58645 ?          ?        133.4028 6.591487 ?        ?        ?         ?        
1 1 1 15 21 16 f 26.85979 11.58839 -0.5673050 11.34610 -0.5673050 11.34610 ?          ?        26.85979 11.58839 ?        ?        ?         ?        
1 1 1 15 21 17 o 263.0609 10.02798 714.2369   52.75936 714.2369   52.75936 ?          ?        263.0609 10.02798 ?        ?        ?         ?        
1 1 1 15 22 0  o 33.45774 18.77670 15.31723   18.72106 15.31723   18.72106 15.31723   18.72106 33.45774 18.77670 33.45774 18.77670 -0.000000 0.000000 
1 1 1 15 22 1  o 504.7047 10.34111 2552.305   104.3841 2552.305   104.3841 ?          ?        504.7047 10.34111 ?        ?        ?         ?        
1 1 1 15 22 2  o 447.4129 9.319561 2004.856   83.39383 2004.856   83.39383 ?          ?        447.4129 9.319561 ?        ?        ?         ?        
1 1 1 15 22 3  o 594.7568 12.92458 3547.358   153.7396 3547.358   153.7396 ?          ?        594.7568 12.92458 ?        ?        ?         ?        
1 1 1 15 22 4  o 261.1286 6.626162 682.4679   34.60560 682.4679   34.60560 ?          ?        261.1286 6.626162 ?        ?        ?         ?        
1 1 1 15 22 5  o 322.3981 8.446278 1041.005   54.46128 1041.005   54.46128 ?          ?        322.3981 8.446278 ?        ?        ?         ?        
1 1 1 15 22 6  o 104.8526 7.033649 110.0572   14.74993 110.0572   14.74993 ?          ?        104.8526 7.033649 ?        ?        ?         ?        
1 1 1 15 22 7  o 201.4391 6.336587 406.1903   25.52872 406.1903   25.52872 ?          ?        201.4391 6.336587 ?        ?        ?         ?        
1 1 1 15 22 8  o 207.0916 6.711510 429.4498   27.79794 429.4498   27.79794 ?          ?        207.0916 6.711510 ?        ?        ?         ?        
1 1 1 15 22 9  o 323.5321 7.715284 1048.947   49.92284 1048.947   49.92284 ?          ?        323.5321 7.715284 ?        ?        ?         ?        
1 1 1 15 22 10 o 207.4729 6.699176 431.1518   27.79794 431.1518   27.79794 ?          ?        207.4729 6.699176 ?        ?        ?         ?        
1 1 1 15 22 11 o 223.4178 7.363714 500.3629   32.90369 500.3629   32.90369 ?          ?        223.4178 7.363714 ?        ?        ?         ?        
1 1 1 15 22 12 f 61.75883 15.96330 40.27865   19.85567 40.27865   19.85567 ?          ?        61.75883 15.96330 ?        ?        ?         ?        
1 1 1 15 22 13 o 247.7767 7.670099 617.2278   38.00943 617.2278   38.00943 ?          ?        247.7767 7.670099 ?        ?        ?         ?        
1 1 1 15 22 14 o 264.5589 9.542325 709.1312   50.49014 709.1312   50.49014 ?          ?        264.5589 9.542325 ?        ?        ?         ?        
1 1 1 15 22 15 o 120.4190 7.302192 146.3647   17.58645 146.3647   17.58645 ?          ?        120.4190 7.302192 ?        ?        ?         ?        
1 1 1 15 22 16 o 73.85378 8.833681 55.59589   13.04801 55.59589   13.04801 ?          ?        73.85378 8.833681 ?        ?        ?         ?        
1 1 1 15 22 17 o 309.2970 10.54651 990.5145   65.24007 990.5145   65.24007 ?          ?        309.2970 10.54651 ?        ?        ?         ?        
1 1 1 15 23 0  o 81.61066 15.47852 73.18234   22.69220 73.18234   22.69220 73.18234   22.69220 81.61066 15.47852 81.61066 15.47852 -0.000000 0.000000 
1 1 1 15 23 1  o 363.4566 7.726259 1322.388   56.16319 1322.388   56.16319 ?          ?        363.4566 7.726259 ?        ?        ?         ?        
1 1 1 15 23 2  o 88.40638 9.946371 78.28809   17.58645 78.28809   17.58645 ?          ?        88.40638 9.946371 ?        ?        ?         ?        
1 1 1 15 23 3  o 648.7042 14.07978 4223.019   182.6722 4223.019   182.6722 ?          ?        648.7042 14.07978 ?        ?        ?         ?        
1 1 1 15 23 4  o 348.8074 8.538671 1218.571   59.56702 1218.571   59.56702 ?          ?        348.8074 8.538671 ?        ?        ?         ?        
1 1 1 15 23 5  o 130.6262 6.080150 170.7588   15.88454 170.7588   15.88454 ?          ?        130.6262 6.080150 ?        ?        ?         ?        
1 1 1 15 23 6  o 158.2821 6.093036 250.7488   19.28837 250.7488   19.28837 ?          ?        158.2821 6.093036 ?        ?        ?         ?        
1 1 1 15 23 7  o 72.92580 10.11297 53.32666   14.74993 53.32666   14.74993 ?          ?        72.92580 10.11297 ?        ?        ?         ?        
1 1 1 15 23 8  f 228.4329 6.581180 522.4879   30.06716 522.4879   30.06716 ?          ?        228.4329 6.581180 ?        ?        ?         ?        
1 1 1 15 23 9  o 369.8479 8.666462 1371.743   64.10546 1371.743   64.10546 ?          ?        369.8479 8.666462 ?        ?        ?         ?        
1 1 1 15 23 10 o 219.8043 6.452388 483.9111   28.36525 483.9111   28.36525 ?          ?        219.8043 6.452388 ?        ?        ?         ?        
1 1 1 15 23 11 o 127.8618 7.542661 163.9511   19.28837 163.9511   19.28837 ?          ?        127.8618 7.542661 ?        ?        ?         ?        
1 1 1 15 23 12 o 300.7690 8.770745 909.3899   52.75936 909.3899   52.75936 ?          ?        300.7690 8.770745 ?        ?        ?         ?        
1 1 1 15 23 13 o 123.2872 8.512759 153.1723   20.99029 153.1723   20.99029 ?          ?        123.2872 8.512759 ?        ?        ?         ?        
1 1 1 15 23 14 o 199.1551 7.548680 399.9500   30.06716 399.9500   30.06716 ?          ?        199.1551 7.548680 ?        ?        ?         ?        
1 1 1 15 23 15 o 148.8468 6.860401 223.5181   20.42298 223.5181   20.42298 ?          ?        148.8468 6.860401 ?        ?        ?         ?        
1 1 1 15 23 16 f 131.7032 6.461177 175.2972   17.01915 175.2972   17.01915 ?          ?        131.7032 6.461177 ?        ?        ?         ?        
1 1 1 15 23 17 f 161.3294 10.72514 270.0372   34.60560 270.0372   34.60560 ?          ?        161.3294 10.72514 ?        ?        ?         ?        
1 1 1 15 24 0  o 49.08971 21.35723 34.60560   21.55759 34.60560   21.55759 34.60560   21.55759 49.08971 21.35723 49.08971 21.35723 -0.000000 0.000000 
1 1 1 15 24 1  o 325.4842 7.058977 1060.293   45.95170 1060.293   45.95170 ?          ?        325.4842 7.058977 ?        ?        ?         ?        
1 1 1 15 24 2  o 458.2271 10.27576 2103.567   94.17262 2103.567   94.17262 ?          ?        458.2271 10.27576 ?        ?        ?         ?        
1 1 1 15 24 3  o 529.8058 12.42104 2815.534   131.6148 2815.534   131.6148 ?          ?        529.8058 12.42104 ?        ?        ?         ?        
1 1 1 15 24 4  o 96.69711 7.040190 93.60532   13.61532 93.60532   13.61532 ?          ?        96.69711 7.040190 ?        ?        ?         ?        
1 1 1 15 24 5  o 235.0970 6.153324 553.1223   28.93255 553.1223   28.93255 ?          ?        235.0970 6.153324 ?        ?        ?         ?        
1 1 1 15 24 6  o 506.2252 12.99962 2573.295   131.6148 2573.295   131.6148 ?          ?        506.2252 12.99962 ?        ?        ?         ?        
1 1 1 15 24 7  o 226.9465 6.499298 515.6802   29.49986 515.6802   29.49986 ?          ?        226.9465 6.499298 ?        ?        ?         ?        
1 1 1 15 24 8  o 203.2475 6.140646 413.5653   24.96142 413.5653   24.96142 ?          ?        203.2475 6.140646 ?        ?        ?         ?        
1 1 1 15 24 9  o 297.2070 8.207787 885.5631   48.78823 885.5631   48.78823 ?          ?        297.2070 8.207787 ?        ?        ?         ?        
1 1 1 15 24 10 o 226.2496 6.644689 512.8437   30.06716 512.8437   30.06716 ?          ?        226.2496 6.644689 ?        ?        ?         ?        
1 1 1 15 24 11 o 360.8799 8.646026 1307.638   62.40355 1307.638   62.40355 ?          ?        360.8799 8.646026 ?        ?        ?         ?        
1 1 1 15 24 12 o 123.3865 9.425462 153.1723   23.25950 153.1723   23.25950 ?          ?        123.3865 9.425462 ?        ?        ?         ?        
1 1 1 15 24 13 o 330.5353 11.49935 1110.216   76.01886 1110.216   76.01886 ?          ?        330.5353 11.49935 ?        ?        ?         ?        
1 1 1 15 24 14 o 98.43972 9.220749 98.14376   18.15376 98.14376   18.15376 ?          ?        98.43972 9.220749 ?        ?        ?         ?        
1 1 1 15 24 15 o 276.0282 8.426495 773.2368   46.51900 773.2368   46.51900 ?          ?        276.0282 8.426495 ?        ?        ?         ?        
1 1 1 15 24 16 o 35.61321 13.19722 10.77879   12.48071 10.77879   12.48071 ?          ?        35.61321 13.19722 ?        ?        ?         ?        
1 1 1 15 24 17 o 121.0559 11.95008 153.7396   28.93255 153.7396   28.93255 ?          ?        121.0559 11.95008 ?        ?        ?         ?        
1 1 1 15 25 0  o 42.00929 20.11365 26.09603   19.28837 26.09603   19.28837 26.09603   19.28837 42.00929 20.11365 42.00929 20.11365 -0.000000 0.000000 
1 1 1 15 25 1  o 60.84893 12.97056 38.57674   15.31723 38.57674   15.31723 ?          ?        60.84893 12.97056 ?        ?        ?         ?        
1 1 1 15 25 2  o 230.3465 6.280224 530.9974   28.93255 530.9974   28.93255 ?          ?        230.3465 6.280224 ?        ?        ?         ?        
1 1 1 15 25 3  o 368.9669 9.071544 1363.801   66.94199 1363.801   66.94199 ?          ?        368.9669 9.071544 ?        ?        ?         ?        
1 1 1 15 25 4  o 413.3345 10.22518 1712.126   84.52843 1712.126   84.52843 ?          ?        413.3345 10.22518 ?        ?        ?         ?        
1 1 1 15 25 5  o 160.5997 6.005107 258.1238   19.28837 258.1238   19.28837 ?          ?        160.5997 6.005107 ?        ?        ?         ?        
1 1 1 15 25 6  o 594.6504 15.12113 3556.435   179.8357 3556.435   179.8357 ?          ?        594.6504 15.12113 ?        ?        ?         ?        
1 1 1 15 25 7  o 315.7036 7.637055 998.4568   48.22092 998.4568   48.22092 ?          ?        315.7036 7.637055 ?        ?        ?         ?        
1 1 1 15 25 8  o 193.3474 7.041896 374.4213   27.23064 374.4213   27.23064 ?          ?        193.3474 7.041896 ?        ?        ?         ?        
1 1 1 15 25 9  o 297.6707 8.480873 888.3995   50.49014 888.3995   50.49014 ?          ?        297.6707 8.480873 ?        ?        ?         ?        
1 1 1 15 25 10 o 331.4181 8.729925 1102.274   57.86510 1102.274   57.86510 ?          ?        331.4181 8.729925 ?        ?        ?         ?        
1 1 1 15 25 11 o 215.6776 6.707363 466.3247   28.93255 466.3247   28.93255 ?          ?        215.6776 6.707363 ?        ?        ?         ?        
1 1 1 15 25 12 o 226.9494 6.749184 516.8148   30.63447 516.8148   30.63447 ?          ?        226.9494 6.749184 ?        ?        ?         ?        
1 1 1 15 25 13 o 200.3636 7.786289 404.4884   31.20177 404.4884   31.20177 ?          ?        200.3636 7.786289 ?        ?        ?         ?        
1 1 1 15 25 14 o 339.7016 10.52106 1174.321   71.48043 1174.321   71.48043 ?          ?        339.7016 10.52106 ?        ?        ?         ?        
1 1 1 15 25 15 o 277.7065 8.171287 782.8809   45.38440 782.8809   45.38440 ?          ?        277.7065 8.171287 ?        ?        ?         ?        
1 1 1 15 25 16 o 83.98719 8.781059 72.04772   14.74993 72.04772   14.74993 ?          ?        83.98719 8.781059 ?        ?        ?         ?        
1 1 1 15 25 17 o 25.01510 10.89547 -1.134610  10.21149 -1.134610  10.21149 ?          ?        25.01510 10.89547 ?        ?        ?         ?        
1 1 1 15 26 0  o 140.9766 9.132751 201.3933   25.52872 201.3933   25.52872 201.3933   25.52872 140.9766 9.132751 140.9766 9.132751 -0.000000 0.000000 
1 1 1 15 26 1  o 675.7829 13.68349 4583.824   184.9414 4583.824   184.9414 ?          ?        675.7829 13.68349 ?        ?        ?         ?        
1 1 1 15 26 2  o 944.5760 18.91865 8990.649   357.4021 8990.649   357.4021 ?          ?        944.5760 18.91865 ?        ?        ?         ?        
1 1 1 15 26 3  o 280.6763 6.669984 788.5540   37.44213 788.5540   37.44213 ?          ?        280.6763 6.669984 ?        ?        ?         ?        
1 1 1 15 26 4  o 419.2394 10.55478 1761.482   88.49958 1761.482   88.49958 ?          ?        419.2394 10.55478 ?        ?        ?         ?        
1 1 1 15 26 5  o 163.2136 6.256519 266.6333   20.42298 266.6333   20.42298 ?          ?        163.2136 6.256519 ?        ?        ?         ?        
1 1 1 15 26 6  o 494.4075 12.73663 2454.729   125.9417 2454.729   125.9417 ?          ?        494.4075 12.73663 ?        ?        ?         ?        
1 1 1 15 26 7  o 466.7782 12.27517 2188.662   114.5956 2188.662   114.5956 ?          ?        466.7782 12.27517 ?        ?        ?         ?        
1 1 1 15 26 8  o 473.7943 11.49471 2255.037   108.9226 2255.037   108.9226 ?          ?        473.7943 11.49471 ?        ?        ?         ?        
1 1 1 15 26 9  o 528.3255 15.03291 2813.833   158.8454 2813.833   158.8454 ?          ?        528.3255 15.03291 ?        ?        ?         ?        
1 1 1 15 26 10 o 212.5360 6.939966 452.7094   29.49986 452.7094   29.49986 ?          ?        212.5360 6.939966 ?        ?        ?         ?        
1 1 1 15 26 11 o 584.9230 15.27561 3469.637   178.7011 3469.637   178.7011 ?          ?        584.9230 15.27561 ?        ?        ?         ?        
1 1 1 15 26 12 o 70.18630 13.41214 51.62476   18.15376 51.62476   18.15376 ?          ?        70.18630 13.41214 ?        ?        ?         ?        
1 1 1 15 26 13 o 141.1295 8.240483 200.8260   23.25950 200.8260   23.25950 ?          ?        141.1295 8.240483 ?        ?        ?         ?        
1 1 1 15 26 14 f 118.4450 8.142330 141.8262   19.28837 141.8262   19.28837 ?          ?        118.4450 8.142330 ?        ?        ?         ?        
1 1 1 15 26 15 o 259.8338 8.187516 685.3044   42.54787 685.3044   42.54787 ?          ?        259.8338 8.187516 ?        ?        ?         ?        
1 1 1 15 26 16 o 126.4725 7.176957 162.2492   18.15376 162.2492   18.15376 ?          ?        126.4725 7.176957 ?        ?        ?         ?        
1 1 1 15 26 17 o 96.75949 5.863042 94.73994   11.34610 94.73994   11.34610 ?          ?        96.75949 5.863042 ?        ?        ?         ?        
1 1 1 15 27 0  o 161.5992 9.010710 263.7968   28.93255 263.7968   28.93255 263.7968   28.93255 161.5992 9.010710 161.5992 9.010710 -0.000000 0.000000 
1 1 1 15 27 1  o 243.4930 6.290626 593.4010   30.63447 593.4010   30.63447 ?          ?        243.4930 6.290626 ?        ?        ?         ?        
1 1 1 15 27 2  o 557.9301 11.48987 3121.879   128.2109 3121.879   128.2109 ?          ?        557.9301 11.48987 ?        ?        ?         ?        
1 1 1 15 27 3  o 134.0412 6.771707 179.8357   18.15376 179.8357   18.15376 ?          ?        134.0412 6.771707 ?        ?        ?         ?        
1 1 1 15 27 4  o 494.8470 11.69354 2455.863   115.7302 2455.863   115.7302 ?          ?        494.8470 11.69354 ?        ?        ?         ?        
1 1 1 15 27 5  o 395.0711 10.62608 1565.194   83.96114 1565.194   83.96114 ?          ?        395.0711 10.62608 ?        ?        ?         ?        
1 1 1 15 27 6  o 217.3614 7.046898 473.1324   30.63447 473.1324   30.63447 ?          ?        217.3614 7.046898 ?        ?        ?         ?        
1 1 1 15 27 7  o 523.8090 12.50909 2756.535   131.0475 2756.535   131.0475 ?          ?        523.8090 12.50909 ?        ?        ?         ?        
1 1 1 15 27 8  o 220.5683 6.687240 487.3149   29.49986 487.3149   29.49986 ?          ?        220.5683 6.687240 ?        ?        ?         ?        
1 1 1 15 27 9  o 396.4104 9.946179 1577.108   78.85539 1577.108   78.85539 ?          ?        396.4104 9.946179 ?        ?        ?         ?        
1 1 1 15 27 10 o 456.0468 11.13346 2091.086   101.5476 2091.086   101.5476 ?          ?        456.0468 11.13346 ?        ?        ?         ?        
1 1 1 15 27 11 o 251.7320 7.211544 635.9489   36.30752 635.9489   36.30752 ?          ?        251.7320 7.211544 ?        ?        ?         ?        
1 1 1 15 27 12 o 290.5290 7.322482 848.1210   42.54787 848.1210   42.54787 ?          ?        290.5290 7.322482 ?        ?        ?         ?        
1 1 1 15 27 13 o 176.1380 6.763675 312.0177   23.82681 312.0177   23.82681 ?          ?        176.1380 6.763675 ?        ?        ?         ?        
1 1 1 15 27 14 o 107.1139 10.59256 116.8648   22.69220 116.8648   22.69220 ?          ?        107.1139 10.59256 ?        ?        ?         ?        
1 1 1 15 27 15 o 207.8713 6.822790 436.8248   28.36525 436.8248   28.36525 ?          ?        207.8713 6.822790 ?        ?        ?         ?        
1 1 1 15 27 16 o 108.6806 7.829890 120.2687   17.01915 120.2687   17.01915 ?          ?        108.6806 7.829890 ?        ?        ?         ?        
1 1 1 15 28 0  o 296.5193 9.395489 882.7266   55.59589 882.7266   55.59589 882.7266   55.59589 296.5193 9.395489 296.5193 9.395489 -0.000000 0.000000 
1 1 1 15 28 1  o 348.8707 7.480144 1218.571   52.19205 1218.571   52.19205 ?          ?        348.8707 7.480144 ?        ?        ?         ?        
1 1 1 15 28 2  o 474.3941 9.985363 2255.037   94.73994 2255.037   94.73994 ?          ?        474.3941 9.985363 ?        ?        ?         ?        
1 1 1 15 28 3  o 370.5077 8.115125 1374.580   60.13433 1374.580   60.13433 ?          ?        370.5077 8.115125 ?        ?        ?         ?        
1 1 1 15 28 4  o 179.4144 6.640161 322.2292   23.82681 322.2292   23.82681 ?          ?        179.4144 6.640161 ?        ?        ?         ?        
1 1 1 15 28 5  o 636.6294 16.21815 4080.057   206.4990 4080.057   206.4990 ?          ?        636.6294 16.21815 ?        ?        ?         ?        
1 1 1 15 28 6  o 663.7537 16.96564 4444.267   225.2201 4444.267   225.2201 ?          ?        663.7537 16.96564 ?        ?        ?         ?        
1 1 1 15 28 7  o 454.4064 12.04757 2074.067   109.4899 2074.067   109.4899 ?          ?        454.4064 12.04757 ?        ?        ?         ?        
1 1 1 15 28 8  o 113.5847 8.241016 129.3455   18.72106 129.3455   18.72106 ?          ?        113.5847 8.241016 ?        ?        ?         ?        
1 1 1 15 28 9  o 345.7436 8.368210 1198.715   57.86510 1198.715   57.86510 ?          ?        345.7436 8.368210 ?        ?        ?         ?        
1 1 1 15 28 10 o 149.6283 8.341146 224.6528   24.96142 224.6528   24.96142 ?          ?        149.6283 8.341146 ?        ?        ?         ?        
1 1 1 15 28 11 o 180.4394 7.231244 326.7676   26.09603 326.7676   26.09603 ?          ?        180.4394 7.231244 ?        ?        ?         ?        
1 1 1 15 28 12 o 259.7686 7.206824 677.9294   37.44213 677.9294   37.44213 ?          ?        259.7686 7.206824 ?        ?        ?         ?        
1 1 1 15 28 13 o 68.52367 14.14284 49.92284   18.72106 49.92284   18.72106 ?          ?        68.52367 14.14284 ?        ?        ?         ?        
1 1 1 15 28 14 o 186.4112 7.303919 350.5945   27.23064 350.5945   27.23064 ?          ?        186.4112 7.303919 ?        ?        ?         ?        
1 1 1 15 28 15 o 32.40967 15.16559 -20.42298  24.39412 -20.42298  24.39412 ?          ?        32.40967 15.16559 ?        ?        ?         ?        
1 1 1 15 28 16 o 29.54617 12.85432 -1.134610  14.18262 -1.134610  14.18262 ?          ?        29.54617 12.85432 ?        ?        ?         ?        
1 1 1 15 29 0  o 68.92599 19.05780 57.29780   22.69220 57.29780   22.69220 57.29780   22.69220 68.92599 19.05780 68.92599 19.05780 -0.000000 0.000000 
1 1 1 15 29 1  o 227.3657 6.487316 517.3821   29.49986 517.3821   29.49986 ?          ?        227.3657 6.487316 ?        ?        ?         ?        
1 1 1 15 29 2  o 904.0509 18.07241 8226.489   326.7676 8226.489   326.7676 ?          ?        904.0509 18.07241 ?        ?        ?         ?        
1 1 1 15 29 3  f 308.8029 7.440298 954.7743   45.95170 954.7743   45.95170 ?          ?        308.8029 7.440298 ?        ?        ?         ?        
1 1 1 15 29 4  o 401.3332 9.824180 1614.550   78.85539 1614.550   78.85539 ?          ?        401.3332 9.824180 ?        ?        ?         ?        
1 1 1 15 29 5  o 455.2320 11.83879 2080.307   107.7879 2080.307   107.7879 ?          ?        455.2320 11.83879 ?        ?        ?         ?        
1 1 1 15 29 6  o 159.4599 7.648982 254.7199   24.39412 254.7199   24.39412 ?          ?        159.4599 7.648982 ?        ?        ?         ?        
1 1 1 15 29 7  o 315.3857 7.914570 996.7548   49.92284 996.7548   49.92284 ?          ?        315.3857 7.914570 ?        ?        ?         ?        
1 1 1 15 29 8  o 316.5708 8.332948 1004.697   52.75936 1004.697   52.75936 ?          ?        316.5708 8.332948 ?        ?        ?         ?        
1 1 1 15 29 9  o 63.64849 14.94553 42.54787   18.72106 42.54787   18.72106 ?          ?        63.64849 14.94553 ?        ?        ?         ?        
1 1 1 15 29 10 o 376.4947 10.62299 1426.205   79.99000 1426.205   79.99000 ?          ?        376.4947 10.62299 ?        ?        ?         ?        
1 1 1 15 29 11 o 186.8058 6.681113 350.0272   24.96142 350.0272   24.96142 ?          ?        186.8058 6.681113 ?        ?        ?         ?        
1 1 1 15 29 12 o 174.0812 7.006535 304.6428   24.39412 304.6428   24.39412 ?          ?        174.0812 7.006535 ?        ?        ?         ?        
1 1 1 15 29 13 o 421.7118 10.56016 1807.434   89.06688 1807.434   89.06688 ?          ?        421.7118 10.56016 ?        ?        ?         ?        
1 1 1 15 29 14 o 142.5561 7.760064 205.3644   22.12490 205.3644   22.12490 ?          ?        142.5561 7.760064 ?        ?        ?         ?        
1 1 1 15 29 15 o 275.1016 8.557987 770.9675   47.08631 770.9675   47.08631 ?          ?        275.1016 8.557987 ?        ?        ?         ?        
1 1 1 15 29 16 o 71.33304 10.73642 52.75936   15.31723 52.75936   15.31723 ?          ?        71.33304 10.73642 ?        ?        ?         ?        
1 1 1 15 30 0  o 217.4051 8.904430 475.4016   38.57674 475.4016   38.57674 475.4016   38.57674 217.4051 8.904430 217.4051 8.904430 -0.000000 0.000000 
1 1 1 15 30 1  o 246.8463 6.434992 609.8528   31.76908 609.8528   31.76908 ?          ?        246.8463 6.434992 ?        ?        ?         ?        
1 1 1 15 30 2  o 615.1667 14.52460 3802.078   178.7011 3802.078   178.7011 ?          ?        615.1667 14.52460 ?        ?        ?         ?        
1 1 1 15 30 3  o 281.4483 7.054822 793.0923   39.71135 793.0923   39.71135 ?          ?        281.4483 7.054822 ?        ?        ?         ?        
1 1 1 15 30 4  f 340.8187 8.156227 1163.543   55.59589 1163.543   55.59589 ?          ?        340.8187 8.156227 ?        ?        ?         ?        
1 1 1 15 30 5  o 510.4310 13.28151 2619.247   135.5859 2619.247   135.5859 ?          ?        510.4310 13.28151 ?        ?        ?         ?        
1 1 1 15 30 6  o 39.24195 15.39312 9.076880   17.58645 9.076880   17.58645 ?          ?        39.24195 15.39312 ?        ?        ?         ?        
1 1 1 15 30 7  o 135.0227 7.352718 182.6722   19.85567 182.6722   19.85567 ?          ?        135.0227 7.352718 ?        ?        ?         ?        
1 1 1 15 30 8  o 288.3460 8.066525 833.3709   46.51900 833.3709   46.51900 ?          ?        288.3460 8.066525 ?        ?        ?         ?        
1 1 1 15 30 9  o 330.8766 8.315575 1098.302   55.02858 1098.302   55.02858 ?          ?        330.8766 8.315575 ?        ?        ?         ?        
1 1 1 15 30 10 o 341.5173 9.800673 1172.619   66.94199 1172.619   66.94199 ?          ?        341.5173 9.800673 ?        ?        ?         ?        
1 1 1 15 30 11 o 201.0512 6.913150 405.6230   27.79794 405.6230   27.79794 ?          ?        201.0512 6.913150 ?        ?        ?         ?        
1 1 1 15 30 12 o 223.5673 6.724410 502.6322   30.06716 502.6322   30.06716 ?          ?        223.5673 6.724410 ?        ?        ?         ?        
1 1 1 15 30 13 o 261.1093 7.169820 687.0063   37.44213 687.0063   37.44213 ?          ?        261.1093 7.169820 ?        ?        ?         ?        
1 1 1 15 30 14 o 140.5584 7.466747 199.6914   20.99029 199.6914   20.99029 ?          ?        140.5584 7.466747 ?        ?        ?         ?        
1 1 1 15 30 15 o 173.2102 7.860578 304.6428   27.23064 304.6428   27.23064 ?          ?        173.2102 7.860578 ?        ?        ?         ?        
1 1 1 15 30 16 o 46.87414 15.29146 23.25950   16.45185 23.25950   16.45185 ?          ?        46.87414 15.29146 ?        ?        ?         ?        
1 1 1 15 31 0  o 234.5680 10.56658 554.2570   49.35553 554.2570   49.35553 554.2570   49.35553 234.5680 10.56658 234.5680 10.56658 -0.000000 0.000000 
1 1 1 15 31 1  o 460.2129 10.53959 2123.422   97.00916 2123.422   97.00916 ?          ?        460.2129 10.53959 ?        ?        ?         ?        
1 1 1 15 31 2  o 195.2945 6.535955 381.7962   25.52872 381.7962   25.52872 ?          ?        195.2945 6.535955 ?        ?        ?         ?        
1 1 1 15 31 3  o 350.4129 8.094808 1229.917   56.73050 1229.917   56.73050 ?          ?        350.4129 8.094808 ?        ?        ?         ?        
1 1 1 15 31 4  o 40.15657 14.40703 13.61532   14.74993 13.61532   14.74993 ?          ?        40.15657 14.40703 ?        ?        ?         ?        
1 1 1 15 31 5  o 527.9538 13.91523 2803.621   146.9320 2803.621   146.9320 ?          ?        527.9538 13.91523 ?        ?        ?         ?        
1 1 1 15 31 6  o 61.29987 16.67962 39.14404   20.99029 39.14404   20.99029 ?          ?        61.29987 16.67962 ?        ?        ?         ?        
1 1 1 15 31 7  o 166.3954 7.159694 277.4121   23.82681 277.4121   23.82681 ?          ?        166.3954 7.159694 ?        ?        ?         ?        
1 1 1 15 31 8  o 223.6177 6.849741 500.9303   30.63447 500.9303   30.63447 ?          ?        223.6177 6.849741 ?        ?        ?         ?        
1 1 1 15 31 9  o 343.5657 8.338697 1183.965   57.29780 1183.965   57.29780 ?          ?        343.5657 8.338697 ?        ?        ?         ?        
1 1 1 15 31 10 o 374.5013 8.937483 1409.753   66.94199 1409.753   66.94199 ?          ?        374.5013 8.937483 ?        ?        ?         ?        
1 1 1 15 31 11 f 319.7882 8.515211 1029.091   54.46128 1029.091   54.46128 ?          ?        319.7882 8.515211 ?        ?        ?         ?        
1 1 1 15 31 12 o 169.7726 6.850193 289.8928   23.25950 289.8928   23.25950 ?          ?        169.7726 6.850193 ?        ?        ?         ?        
1 1 1 15 31 13 o 222.9769 6.869425 500.9303   30.63447 500.9303   30.63447 ?          ?        222.9769 6.869425 ?        ?        ?         ?        
1 1 1 15 31 14 o 206.8955 7.129169 432.8537   29.49986 432.8537   29.49986 ?          ?        206.8955 7.129169 ?        ?        ?         ?        
1 1 1 15 31 15 o 245.2225 7.865660 611.5547   38.57674 611.5547   38.57674 ?          ?        245.2225 7.865660 ?        ?        ?         ?        
1 1 1 15 31 16 o 30.90347 13.40033 -0.5673050 15.31723 -0.5673050 15.31723 ?          ?        30.90347 13.40033 ?        ?        ?         ?        
1 1 1 15 32 0  o 342.5420 11.70588 1179.427   79.99000 1179.427   79.99000 1179.427   79.99000 342.5420 11.70588 342.5420 11.70588 -0.000000 0.000000 
1 1 1 15 32 1  o 117.5548 8.203987 138.4224   19.28837 138.4224   19.28837 ?          ?        117.5548 8.203987 ?        ?        ?         ?        
1 1 1 15 32 2  o 479.6652 10.99921 2307.796   105.5187 2307.796   105.5187 ?          ?        479.6652 10.99921 ?        ?        ?         ?        
1 1 1 15 32 3  o 334.9476 8.045135 1123.831   53.89397 1123.831   53.89397 ?          ?        334.9476 8.045135 ?        ?        ?         ?        
1 1 1 15 32 4  o 510.9302 13.49060 2624.920   137.8551 2624.920   137.8551 ?          ?        510.9302 13.49060 ?        ?        ?         ?        
1 1 1 15 32 5  o 329.7997 8.084706 1089.793   53.32666 1089.793   53.32666 ?          ?        329.7997 8.084706 ?        ?        ?         ?        
1 1 1 15 32 6  o 302.1121 7.511185 914.4956   45.38440 914.4956   45.38440 ?          ?        302.1121 7.511185 ?        ?        ?         ?        
1 1 1 15 32 7  o 131.8188 7.961793 174.1626   20.99029 174.1626   20.99029 ?          ?        131.8188 7.961793 ?        ?        ?         ?        
1 1 1 15 32 8  o 67.04330 14.37713 47.08631   18.72106 47.08631   18.72106 ?          ?        67.04330 14.37713 ?        ?        ?         ?        
1 1 1 15 32 9  o 177.5423 7.029712 315.9889   24.96142 315.9889   24.96142 ?          ?        177.5423 7.029712 ?        ?        ?         ?        
1 1 1 15 32 10 o 182.1441 7.319294 333.0080   26.66333 333.0080   26.66333 ?          ?        182.1441 7.319294 ?        ?        ?         ?        
1 1 1 15 32 11 o 295.2050 7.590842 875.9189   44.81709 875.9189   44.81709 ?          ?        295.2050 7.590842 ?        ?        ?         ?        
1 1 1 15 32 12 o 158.9489 6.959750 254.1526   22.12490 254.1526   22.12490 ?          ?        158.9489 6.959750 ?        ?        ?         ?        
1 1 1 15 32 13 o 244.0956 7.088535 600.7759   34.60560 600.7759   34.60560 ?          ?        244.0956 7.088535 ?        ?        ?         ?        
1 1 1 15 32 14 o 205.9024 7.576836 429.4498   31.20177 429.4498   31.20177 ?          ?        205.9024 7.576836 ?        ?        ?         ?        
1 1 1 15 32 15 o 102.1643 8.884593 106.6533   18.15376 106.6533   18.15376 ?          ?        102.1643 8.884593 ?        ?        ?         ?        
1 1 1 15 32 16 o 163.7117 7.970118 274.0083   26.09603 274.0083   26.09603 ?          ?        163.7117 7.970118 ?        ?        ?         ?        
1 1 1 15 33 0  o 415.1577 15.48821 1735.953   128.2109 1735.953   128.2109 1735.953   128.2109 415.1577 15.48821 415.1577 15.48821 -0.000000 0.000000 
1 1 1 15 33 1  o 217.9047 6.899156 475.4016   30.06716 475.4016   30.06716 ?          ?        217.9047 6.899156 ?        ?        ?         ?        
1 1 1 15 33 2  o 483.3817 10.97332 2344.104   106.0860 2344.104   106.0860 ?          ?        483.3817 10.97332 ?        ?        ?         ?        
1 1 1 15 33 3  o 446.1626 10.29932 1996.914   91.90340 1996.914   91.90340 ?          ?        446.1626 10.29932 ?        ?        ?         ?        
1 1 1 15 33 4  o 626.5530 16.16207 3956.385   202.5279 3956.385   202.5279 ?          ?        626.5530 16.16207 ?        ?        ?         ?        
1 1 1 15 33 5  o 242.3689 6.904968 588.2952   33.47099 588.2952   33.47099 ?          ?        242.3689 6.904968 ?        ?        ?         ?        
1 1 1 15 33 6  o 311.5060 8.377377 972.9280   52.19205 972.9280   52.19205 ?          ?        311.5060 8.377377 ?        ?        ?         ?        
1 1 1 15 33 7  o 159.2303 8.194431 254.1526   26.09603 254.1526   26.09603 ?          ?        159.2303 8.194431 ?        ?        ?         ?        
1 1 1 15 33 8  o 120.0240 9.453196 144.6628   22.69220 144.6628   22.69220 ?          ?        120.0240 9.453196 ?        ?        ?         ?        
1 1 1 15 33 9  o 352.7268 8.604625 1249.206   60.70163 1249.206   60.70163 ?          ?        352.7268 8.604625 ?        ?        ?         ?        
1 1 1 15 33 10 o 71.36125 14.01404 53.32666   19.28837 53.32666   19.28837 ?          ?        71.36125 14.01404 ?        ?        ?         ?        
1 1 1 15 33 11 o 264.6764 7.287529 704.0255   38.57674 704.0255   38.57674 ?          ?        264.6764 7.287529 ?        ?        ?         ?        
1 1 1 15 33 12 o 177.1620 7.044803 315.9889   24.96142 315.9889   24.96142 ?          ?        177.1620 7.044803 ?        ?        ?         ?        
1 1 1 15 33 13 o 152.5542 7.437421 234.8643   22.69220 234.8643   22.69220 ?          ?        152.5542 7.437421 ?        ?        ?         ?        
1 1 1 15 33 14 o 109.3870 9.075885 121.9706   19.85567 121.9706   19.85567 ?          ?        109.3870 9.075885 ?        ?        ?         ?        
1 1 1 15 33 15 f 96.75140 10.26118 96.44185   19.85567 96.44185   19.85567 ?          ?        96.75140 10.26118 ?        ?        ?         ?        
1 1 1 15 33 16 o 183.0571 8.367460 343.2195   30.63447 343.2195   30.63447 ?          ?        183.0571 8.367460 ?        ?        ?         ?        
1 1 1 15 34 0  o 178.4069 9.921886 321.6619   35.17290 321.6619   35.17290 321.6619   35.17290 178.4069 9.921886 178.4069 9.921886 -0.000000 0.000000 
1 1 1 15 34 1  o 307.0821 7.666730 944.5627   47.08631 944.5627   47.08631 ?          ?        307.0821 7.666730 ?        ?        ?         ?        
1 1 1 15 34 2  o 623.8658 13.82194 3914.404   172.4607 3914.404   172.4607 ?          ?        623.8658 13.82194 ?        ?        ?         ?        
1 1 1 15 34 3  o 204.2001 6.667635 417.5364   27.23064 417.5364   27.23064 ?          ?        204.2001 6.667635 ?        ?        ?         ?        
1 1 1 15 34 4  o 153.6880 7.197989 236.5662   22.12490 236.5662   22.12490 ?          ?        153.6880 7.197989 ?        ?        ?         ?        
1 1 1 15 34 5  o 264.9656 7.600731 703.4582   40.27865 703.4582   40.27865 ?          ?        264.9656 7.600731 ?        ?        ?         ?        
1 1 1 15 34 6  o 188.5829 6.918981 356.2675   26.09603 356.2675   26.09603 ?          ?        188.5829 6.918981 ?        ?        ?         ?        
1 1 1 15 34 7  o 116.5049 9.008328 136.1532   20.99029 136.1532   20.99029 ?          ?        116.5049 9.008328 ?        ?        ?         ?        
1 1 1 15 34 8  o 248.9011 7.863373 621.1990   39.14404 621.1990   39.14404 ?          ?        248.9011 7.863373 ?        ?        ?         ?        
1 1 1 15 34 9  o 104.3471 9.786077 109.4899   20.42298 109.4899   20.42298 ?          ?        104.3471 9.786077 ?        ?        ?         ?        
1 1 1 15 34 10 o 204.2307 7.222188 418.6711   29.49986 418.6711   29.49986 ?          ?        204.2307 7.222188 ?        ?        ?         ?        
1 1 1 15 34 11 o 123.7205 8.253675 154.3070   20.42298 154.3070   20.42298 ?          ?        123.7205 8.253675 ?        ?        ?         ?        
1 1 1 15 34 12 o 278.7456 7.530265 783.4482   41.98057 783.4482   41.98057 ?          ?        278.7456 7.530265 ?        ?        ?         ?        
1 1 1 15 34 13 o 70.54637 14.56946 53.32666   19.85567 53.32666   19.85567 ?          ?        70.54637 14.56946 ?        ?        ?         ?        
1 1 1 15 34 14 o 121.7381 9.087088 151.4704   22.12490 151.4704   22.12490 ?          ?        121.7381 9.087088 ?        ?        ?         ?        
1 1 1 15 34 15 o 37.16583 15.25315 6.807660   18.15376 6.807660   18.15376 ?          ?        37.16583 15.25315 ?        ?        ?         ?        
1 1 1 15 35 0  o 494.7769 16.14732 2465.508   159.4127 2465.508   159.4127 2465.508   159.4127 494.7769 16.14732 494.7769 16.14732 -0.000000 0.000000 
1 1 1 15 35 1  o 171.7946 6.934678 295.5659   23.82681 295.5659   23.82681 ?          ?        171.7946 6.934678 ?        ?        ?         ?        
1 1 1 15 35 2  o 125.6546 9.029596 158.2781   22.69220 158.2781   22.69220 ?          ?        125.6546 9.029596 ?        ?        ?         ?        
1 1 1 15 35 3  o 71.42471 15.15351 53.32666   20.99029 53.32666   20.99029 ?          ?        71.42471 15.15351 ?        ?        ?         ?        
1 1 1 15 35 4  o 390.5509 9.223860 1529.454   72.04772 1529.454   72.04772 ?          ?        390.5509 9.223860 ?        ?        ?         ?        
1 1 1 15 35 5  o 423.4923 11.45347 1802.328   97.00916 1802.328   97.00916 ?          ?        423.4923 11.45347 ?        ?        ?         ?        
1 1 1 15 35 6  o 173.2381 7.204370 300.6716   24.96142 300.6716   24.96142 ?          ?        173.2381 7.204370 ?        ?        ?         ?        
1 1 1 15 35 7  o 112.5360 8.821923 127.0763   19.85567 127.0763   19.85567 ?          ?        112.5360 8.821923 ?        ?        ?         ?        
1 1 1 15 35 8  o 310.0505 10.15493 966.1203   62.97085 966.1203   62.97085 ?          ?        310.0505 10.15493 ?        ?        ?         ?        
1 1 1 15 35 9  o 68.89302 14.45979 49.92284   19.28837 49.92284   19.28837 ?          ?        68.89302 14.45979 ?        ?        ?         ?        
1 1 1 15 35 10 o 106.6215 9.577328 114.5956   20.42298 114.5956   20.42298 ?          ?        106.6215 9.577328 ?        ?        ?         ?        
1 1 1 15 35 11 f 180.4120 6.760668 327.3350   24.39412 327.3350   24.39412 ?          ?        180.4120 6.760668 ?        ?        ?         ?        
1 1 1 15 35 12 o 202.8128 6.713245 414.1326   27.23064 414.1326   27.23064 ?          ?        202.8128 6.713245 ?        ?        ?         ?        
1 1 1 15 35 13 o 74.65924 12.15774 57.29780   18.15376 57.29780   18.15376 ?          ?        74.65924 12.15774 ?        ?        ?         ?        
1 1 1 15 35 14 o 148.2969 7.459662 222.9509   22.12490 222.9509   22.12490 ?          ?        148.2969 7.459662 ?        ?        ?         ?        
1 1 1 15 35 15 o 103.7232 8.477592 110.0572   17.58645 110.0572   17.58645 ?          ?        103.7232 8.477592 ?        ?        ?         ?        
1 1 1 15 36 0  o 315.7281 11.17083 1002.428   70.34581 1002.428   70.34581 1002.428   70.34581 315.7281 11.17083 315.7281 11.17083 -0.000000 0.000000 
1 1 1 15 36 1  o 335.9145 8.190862 1130.639   55.02858 1130.639   55.02858 ?          ?        335.9145 8.190862 ?        ?        ?         ?        
1 1 1 15 36 2  f 438.1964 10.09816 1926.000   88.49958 1926.000   88.49958 ?          ?        438.1964 10.09816 ?        ?        ?         ?        
1 1 1 15 36 3  o 203.8985 7.094841 416.4019   28.93255 416.4019   28.93255 ?          ?        203.8985 7.094841 ?        ?        ?         ?        
1 1 1 15 36 4  o 103.8824 10.64901 108.3553   22.12490 108.3553   22.12490 ?          ?        103.8824 10.64901 ?        ?        ?         ?        
1 1 1 15 36 5  o 83.30201 12.25839 69.77851   20.42298 69.77851   20.42298 ?          ?        83.30201 12.25839 ?        ?        ?         ?        
1 1 1 15 36 6  o 453.1999 12.07964 2064.990   109.4899 2064.990   109.4899 ?          ?        453.1999 12.07964 ?        ?        ?         ?        
1 1 1 15 36 7  o 370.4348 9.035596 1377.417   66.94199 1377.417   66.94199 ?          ?        370.4348 9.035596 ?        ?        ?         ?        
1 1 1 15 36 8  o 49.83172 18.26797 20.42298   23.82681 20.42298   23.82681 ?          ?        49.83172 18.26797 ?        ?        ?         ?        
1 1 1 15 36 9  o 223.6510 7.356033 502.0649   32.90369 502.0649   32.90369 ?          ?        223.6510 7.356033 ?        ?        ?         ?        
1 1 1 15 36 10 o 160.2346 7.789021 258.1238   24.96142 258.1238   24.96142 ?          ?        160.2346 7.789021 ?        ?        ?         ?        
1 1 1 15 36 11 o 140.8092 7.654895 199.6914   21.55759 199.6914   21.55759 ?          ?        140.8092 7.654895 ?        ?        ?         ?        
1 1 1 15 36 12 o 28.19691 13.24914 -19.85567  19.28837 -19.85567  19.28837 ?          ?        28.19691 13.24914 ?        ?        ?         ?        
1 1 1 15 36 13 o 59.44705 15.56370 38.57674   18.72106 38.57674   18.72106 ?          ?        59.44705 15.56370 ?        ?        ?         ?        
1 1 1 15 36 14 o 148.6094 7.443976 224.0854   22.12490 224.0854   22.12490 ?          ?        148.6094 7.443976 ?        ?        ?         ?        
1 1 1 15 36 15 f 94.99235 9.853986 93.03801   18.72106 93.03801   18.72106 ?          ?        94.99235 9.853986 ?        ?        ?         ?        
1 1 1 15 37 0  o 221.6784 10.15429 495.2573   44.81709 495.2573   44.81709 495.2573   44.81709 221.6784 10.15429 221.6784 10.15429 -0.000000 0.000000 
1 1 1 15 37 1  o 311.8093 7.823408 974.0626   48.78823 974.0626   48.78823 ?          ?        311.8093 7.823408 ?        ?        ?         ?        
1 1 1 15 37 2  o 512.9409 11.39165 2641.939   116.8648 2641.939   116.8648 ?          ?        512.9409 11.39165 ?        ?        ?         ?        
1 1 1 15 37 3  o 128.9964 8.135999 166.7877   20.99029 166.7877   20.99029 ?          ?        128.9964 8.135999 ?        ?        ?         ?        
1 1 1 15 37 4  o 465.5535 12.73396 2180.720   118.5667 2180.720   118.5667 ?          ?        465.5535 12.73396 ?        ?        ?         ?        
1 1 1 15 37 5  o 531.6158 13.87273 2845.602   147.4993 2845.602   147.4993 ?          ?        531.6158 13.87273 ?        ?        ?         ?        
1 1 1 15 37 6  o 237.1820 7.534344 563.9012   35.74022 563.9012   35.74022 ?          ?        237.1820 7.534344 ?        ?        ?         ?        
1 1 1 15 37 7  o 240.0406 7.208282 577.5164   34.60560 577.5164   34.60560 ?          ?        240.0406 7.208282 ?        ?        ?         ?        
1 1 1 15 37 8  o 248.4308 6.964836 618.9297   34.60560 618.9297   34.60560 ?          ?        248.4308 6.964836 ?        ?        ?         ?        
1 1 1 15 37 9  o 332.7699 9.802581 1114.754   65.24007 1114.754   65.24007 ?          ?        332.7699 9.802581 ?        ?        ?         ?        
1 1 1 15 37 10 f 173.4176 7.360477 302.3735   25.52872 302.3735   25.52872 ?          ?        173.4176 7.360477 ?        ?        ?         ?        
1 1 1 15 37 11 o 130.0076 8.727261 170.7588   22.69220 170.7588   22.69220 ?          ?        130.0076 8.727261 ?        ?        ?         ?        
1 1 1 15 37 12 o 270.8073 8.169979 741.4675   44.24979 741.4675   44.24979 ?          ?        270.8073 8.169979 ?        ?        ?         ?        
1 1 1 15 37 13 o 116.8393 8.982548 138.9897   20.99029 138.9897   20.99029 ?          ?        116.8393 8.982548 ?        ?        ?         ?        
1 1 1 15 37 14 o 206.9255 6.991055 433.9883   28.93255 433.9883   28.93255 ?          ?        206.9255 6.991055 ?        ?        ?         ?        
1 1 1 15 37 15 o 156.2592 7.624132 249.0469   23.82681 249.0469   23.82681 ?          ?        156.2592 7.624132 ?        ?        ?         ?        
1 1 1 15 38 0  o 60.99495 25.33370 52.75936   30.63447 52.75936   30.63447 52.75936   30.63447 60.99495 25.33370 60.99495 25.33370 -0.000000 0.000000 
1 1 1 15 38 1  f 279.3456 7.311009 781.7462   40.84595 781.7462   40.84595 ?          ?        279.3456 7.311009 ?        ?        ?         ?        
1 1 1 15 38 2  o 167.0540 7.810658 279.6813   26.09603 279.6813   26.09603 ?          ?        167.0540 7.810658 ?        ?        ?         ?        
1 1 1 15 38 3  o 141.3131 8.631231 200.2587   24.39412 200.2587   24.39412 ?          ?        141.3131 8.631231 ?        ?        ?         ?        
1 1 1 15 38 4  o 441.4414 11.69459 1958.337   103.2495 1958.337   103.2495 ?          ?        441.4414 11.69459 ?        ?        ?         ?        
1 1 1 15 38 5  o 261.0661 7.605613 683.0352   39.71135 683.0352   39.71135 ?          ?        261.0661 7.605613 ?        ?        ?         ?        
1 1 1 15 38 6  o 150.5017 9.612038 227.4893   28.93255 227.4893   28.93255 ?          ?        150.5017 9.612038 ?        ?        ?         ?        
1 1 1 15 38 7  o 306.5603 7.864836 942.8608   48.22092 942.8608   48.22092 ?          ?        306.5603 7.864836 ?        ?        ?         ?        
1 1 1 15 38 8  o 231.8692 7.095313 539.5070   32.90369 539.5070   32.90369 ?          ?        231.8692 7.095313 ?        ?        ?         ?        
1 1 1 15 38 9  o 274.8186 7.741083 759.0541   42.54787 759.0541   42.54787 ?          ?        274.8186 7.741083 ?        ?        ?         ?        
1 1 1 15 38 10 o 143.8171 7.297564 208.2009   20.99029 208.2009   20.99029 ?          ?        143.8171 7.297564 ?        ?        ?         ?        
1 1 1 15 38 11 o 220.4575 7.076596 489.5842   31.20177 489.5842   31.20177 ?          ?        220.4575 7.076596 ?        ?        ?         ?        
1 1 1 15 38 12 o 151.8322 7.285969 232.5950   22.12490 232.5950   22.12490 ?          ?        151.8322 7.285969 ?        ?        ?         ?        
1 1 1 15 38 13 o 228.2868 7.082403 527.5936   32.33638 527.5936   32.33638 ?          ?        228.2868 7.082403 ?        ?        ?         ?        
1 1 1 15 38 14 o 132.7102 7.908314 179.2684   20.99029 179.2684   20.99029 ?          ?        132.7102 7.908314 ?        ?        ?         ?        
1 1 1 15 38 15 o 178.3875 7.155412 323.9312   25.52872 323.9312   25.52872 ?          ?        178.3875 7.155412 ?        ?        ?         ?        
1 1 1 15 39 0  o 112.2986 14.30708 128.2109   32.33638 128.2109   32.33638 128.2109   32.33638 112.2986 14.30708 112.2986 14.30708 -0.000000 0.000000 
1 1 1 15 39 1  o 465.2941 10.79027 2174.480   100.4130 2174.480   100.4130 ?          ?        465.2941 10.79027 ?        ?        ?         ?        
1 1 1 15 39 2  o 146.2879 7.368207 214.4413   21.55759 214.4413   21.55759 ?          ?        146.2879 7.368207 ?        ?        ?         ?        
1 1 1 15 39 3  o 376.2927 8.819555 1419.964   66.37468 1419.964   66.37468 ?          ?        376.2927 8.819555 ?        ?        ?         ?        
1 1 1 15 39 4  o 379.5509 9.117514 1444.926   69.21120 1444.926   69.21120 ?          ?        379.5509 9.117514 ?        ?        ?         ?        
1 1 1 15 39 5  o 416.9256 10.54532 1746.732   87.93227 1746.732   87.93227 ?          ?        416.9256 10.54532 ?        ?        ?         ?        
1 1 1 15 39 6  o 98.23455 10.97251 97.00916   21.55759 97.00916   21.55759 ?          ?        98.23455 10.97251 ?        ?        ?         ?        
1 1 1 15 39 7  o 324.1291 8.313658 1054.620   53.89397 1054.620   53.89397 ?          ?        324.1291 8.313658 ?        ?        ?         ?        
1 1 1 15 39 8  o 265.4814 7.372275 707.4293   39.14404 707.4293   39.14404 ?          ?        265.4814 7.372275 ?        ?        ?         ?        
1 1 1 15 39 9  o 307.8425 8.016362 953.0723   49.35553 953.0723   49.35553 ?          ?        307.8425 8.016362 ?        ?        ?         ?        
1 1 1 15 39 10 f 53.95124 18.40242 28.36525   23.82681 28.36525   23.82681 ?          ?        53.95124 18.40242 ?        ?        ?         ?        
1 1 1 15 39 11 o 167.8044 6.930542 283.6525   23.25950 283.6525   23.25950 ?          ?        167.8044 6.930542 ?        ?        ?         ?        
1 1 1 15 39 12 o 204.1953 6.667794 420.3730   27.23064 420.3730   27.23064 ?          ?        204.1953 6.667794 ?        ?        ?         ?        
1 1 1 15 39 13 o 172.4425 7.566588 301.8062   26.09603 301.8062   26.09603 ?          ?        172.4425 7.566588 ?        ?        ?         ?        
1 1 1 15 39 14 o 21.34886 10.65772 -48.22092  18.72106 -48.22092  18.72106 ?          ?        21.34886 10.65772 ?        ?        ?         ?        
1 1 1 15 40 0  o 353.6257 12.95215 1259.417   91.33610 1259.417   91.33610 1259.417   91.33610 353.6257 12.95215 353.6257 12.95215 -0.000000 0.000000 
1 1 1 15 40 1  o 373.0202 8.972971 1395.570   66.94199 1395.570   66.94199 ?          ?        373.0202 8.972971 ?        ?        ?         ?        
1 1 1 15 40 2  o 175.5144 7.110933 308.6139   24.96142 308.6139   24.96142 ?          ?        175.5144 7.110933 ?        ?        ?         ?        
1 1 1 15 40 3  o 325.5680 8.276916 1062.562   53.89397 1062.562   53.89397 ?          ?        325.5680 8.276916 ?        ?        ?         ?        
1 1 1 15 40 4  f 390.0627 9.599002 1527.185   74.88425 1527.185   74.88425 ?          ?        390.0627 9.599002 ?        ?        ?         ?        
1 1 1 15 40 5  f 359.0000 8.849324 1293.455   63.53815 1293.455   63.53815 ?          ?        359.0000 8.849324 ?        ?        ?         ?        
1 1 1 15 40 6  o 206.8203 7.131763 428.8826   29.49986 428.8826   29.49986 ?          ?        206.8203 7.131763 ?        ?        ?         ?        
1 1 1 15 40 7  o 135.2783 8.177547 183.8068   22.12490 183.8068   22.12490 ?          ?        135.2783 8.177547 ?        ?        ?         ?        
1 1 1 15 40 8  o 238.9054 7.361261 572.9780   35.17290 572.9780   35.17290 ?          ?        238.9054 7.361261 ?        ?        ?         ?        
1 1 1 15 40 9  o 124.0340 8.232817 154.8743   20.42298 154.8743   20.42298 ?          ?        124.0340 8.232817 ?        ?        ?         ?        
1 1 1 15 40 10 o 99.42282 11.12667 100.4130   22.12490 100.4130   22.12490 ?          ?        99.42282 11.12667 ?        ?        ?         ?        
1 1 1 15 40 11 o 105.1710 9.709415 112.3264   20.42298 112.3264   20.42298 ?          ?        105.1710 9.709415 ?        ?        ?         ?        
1 1 1 15 40 12 o 413.8277 10.82989 1756.376   89.63419 1756.376   89.63419 ?          ?        413.8277 10.82989 ?        ?        ?         ?        
1 1 1 15 40 13 o 105.0109 9.724221 112.8937   20.42298 112.8937   20.42298 ?          ?        105.0109 9.724221 ?        ?        ?         ?        
1 1 1 15 40 14 o 93.90999 10.57165 91.33610   19.85567 91.33610   19.85567 ?          ?        93.90999 10.57165 ?        ?        ?         ?        
1 1 1 15 41 0  o 134.3950 13.54598 186.6433   35.74022 186.6433   35.74022 186.6433   35.74022 134.3950 13.54598 134.3950 13.54598 -0.000000 0.000000 
1 1 1 15 41 1  o 680.8813 16.12227 4679.131   219.5470 4679.131   219.5470 ?          ?        680.8813 16.12227 ?        ?        ?         ?        
1 1 1 15 41 2  o 306.4958 8.236678 941.7263   50.49014 941.7263   50.49014 ?          ?        306.4958 8.236678 ?        ?        ?         ?        
1 1 1 15 41 3  o 150.4410 8.107536 226.9220   24.39412 226.9220   24.39412 ?          ?        150.4410 8.107536 ?        ?        ?         ?        
1 1 1 15 41 4  o 384.1931 9.967145 1482.935   76.58617 1482.935   76.58617 ?          ?        384.1931 9.967145 ?        ?        ?         ?        
1 1 1 15 41 5  o 441.3749 10.15397 1957.202   89.63419 1957.202   89.63419 ?          ?        441.3749 10.15397 ?        ?        ?         ?        
1 1 1 15 41 6  o 90.92921 12.47795 83.39383   22.69220 83.39383   22.69220 ?          ?        90.92921 12.47795 ?        ?        ?         ?        
1 1 1 15 41 7  o 216.4733 7.206841 470.2958   31.20177 470.2958   31.20177 ?          ?        216.4733 7.206841 ?        ?        ?         ?        
1 1 1 15 41 8  o 196.1327 6.941892 386.3347   27.23064 386.3347   27.23064 ?          ?        196.1327 6.941892 ?        ?        ?         ?        
1 1 1 15 41 9  o 158.1517 7.532898 251.8834   23.82681 251.8834   23.82681 ?          ?        158.1517 7.532898 ?        ?        ?         ?        
1 1 1 15 41 10 o 52.22757 16.22795 28.36525   18.72106 28.36525   18.72106 ?          ?        52.22757 16.22795 ?        ?        ?         ?        
1 1 1 15 41 11 o 72.95034 18.90304 58.43241   27.79794 58.43241   27.79794 ?          ?        72.95034 18.90304 ?        ?        ?         ?        
1 1 1 15 41 12 o 184.3352 7.232294 343.7868   26.66333 343.7868   26.66333 ?          ?        184.3352 7.232294 ?        ?        ?         ?        
1 1 1 15 41 13 o 89.94194 11.66880 83.96114   20.99029 83.96114   20.99029 ?          ?        89.94194 11.66880 ?        ?        ?         ?        
1 1 1 15 41 14 o 207.0264 7.124662 435.6902   29.49986 435.6902   29.49986 ?          ?        207.0264 7.124662 ?        ?        ?         ?        
1 1 1 15 42 0  o 276.2977 10.91919 768.6982   60.13433 768.6982   60.13433 768.6982   60.13433 276.2977 10.91919 276.2977 10.91919 -0.000000 0.000000 
1 1 1 15 42 1  o 488.6706 12.01547 2401.402   117.4321 2401.402   117.4321 ?          ?        488.6706 12.01547 ?        ?        ?         ?        
1 1 1 15 42 2  o 196.7541 7.496632 388.0366   29.49986 388.0366   29.49986 ?          ?        196.7541 7.496632 ?        ?        ?         ?        
1 1 1 15 42 3  o 110.6376 11.02433 123.1052   24.39412 123.1052   24.39412 ?          ?        110.6376 11.02433 ?        ?        ?         ?        
1 1 1 15 42 4  o 275.3656 7.622698 760.1886   41.98057 760.1886   41.98057 ?          ?        275.3656 7.622698 ?        ?        ?         ?        
1 1 1 15 42 5  o 133.8287 8.690031 179.8357   23.25950 179.8357   23.25950 ?          ?        133.8287 8.690031 ?        ?        ?         ?        
1 1 1 15 42 6  o 333.6073 8.417560 1118.158   56.16319 1118.158   56.16319 ?          ?        333.6073 8.417560 ?        ?        ?         ?        
1 1 1 15 42 7  o 295.9155 7.764328 879.3227   45.95170 879.3227   45.95170 ?          ?        295.9155 7.764328 ?        ?        ?         ?        
1 1 1 15 42 8  o 107.4145 9.506625 116.2975   20.42298 116.2975   20.42298 ?          ?        107.4145 9.506625 ?        ?        ?         ?        
1 1 1 15 42 9  o 47.76695 16.53921 21.55759   19.28837 21.55759   19.28837 ?          ?        47.76695 16.53921 ?        ?        ?         ?        
1 1 1 15 42 10 o 153.2976 7.771424 237.1335   23.82681 237.1335   23.82681 ?          ?        153.2976 7.771424 ?        ?        ?         ?        
1 1 1 15 42 11 o 100.9277 13.20913 104.9514   26.66333 104.9514   26.66333 ?          ?        100.9277 13.20913 ?        ?        ?         ?        
1 1 1 15 42 12 f 45.49416 16.45986 19.28837   19.28837 19.28837   19.28837 ?          ?        45.49416 16.45986 ?        ?        ?         ?        
1 1 1 15 42 13 f 208.5691 7.207962 441.3633   30.06716 441.3633   30.06716 ?          ?        208.5691 7.207962 ?        ?        ?         ?        
1 1 1 15 42 14 o 94.84512 9.869282 93.03801   18.72106 93.03801   18.72106 ?          ?        94.84512 9.869282 ?        ?        ?         ?        
1 1 1 15 43 0  o 109.3625 16.24886 125.3744   34.03830 125.3744   34.03830 125.3744   34.03830 109.3625 16.24886 109.3625 16.24886 -0.000000 0.000000 
1 1 1 15 43 1  o 381.9628 9.282726 1464.781   70.91312 1464.781   70.91312 ?          ?        381.9628 9.282726 ?        ?        ?         ?        
1 1 1 15 43 2  o 395.6345 9.607208 1572.002   76.01886 1572.002   76.01886 ?          ?        395.6345 9.607208 ?        ?        ?         ?        
1 1 1 15 43 3  o 216.2244 7.215138 468.5939   31.20177 468.5939   31.20177 ?          ?        216.2244 7.215138 ?        ?        ?         ?        
1 1 1 15 43 4  o 47.27812 17.74011 17.01915   22.69220 17.01915   22.69220 ?          ?        47.27812 17.74011 ?        ?        ?         ?        
1 1 1 15 43 5  o 215.5940 7.499370 466.3247   32.33638 466.3247   32.33638 ?          ?        215.5940 7.499370 ?        ?        ?         ?        
1 1 1 15 43 6  o 228.9804 7.680331 526.4590   35.17290 526.4590   35.17290 ?          ?        228.9804 7.680331 ?        ?        ?         ?        
1 1 1 15 43 7  o 161.0486 8.454166 260.9603   27.23064 260.9603   27.23064 ?          ?        161.0486 8.454166 ?        ?        ?         ?        
1 1 1 15 43 8  f 179.5738 7.424061 324.4984   26.66333 324.4984   26.66333 ?          ?        179.5738 7.424061 ?        ?        ?         ?        
1 1 1 15 43 9  o 47.95553 16.76369 21.55759   19.85567 21.55759   19.85567 ?          ?        47.95553 16.76369 ?        ?        ?         ?        
1 1 1 15 43 10 o 62.37109 15.50887 41.98057   19.28837 41.98057   19.28837 ?          ?        62.37109 15.50887 ?        ?        ?         ?        
1 1 1 15 43 11 o 135.9843 8.760864 187.7779   23.82681 187.7779   23.82681 ?          ?        135.9843 8.760864 ?        ?        ?         ?        
1 1 1 15 43 12 o 81.40824 15.19894 72.04772   23.82681 72.04772   23.82681 ?          ?        81.40824 15.19894 ?        ?        ?         ?        
1 1 1 15 43 13 o 345.1120 9.369823 1223.677   64.67276 1223.677   64.67276 ?          ?        345.1120 9.369823 ?        ?        ?         ?        
1 1 1 15 43 14 o 50.75895 16.79902 27.79794   19.85567 27.79794   19.85567 ?          ?        50.75895 16.79902 ?        ?        ?         ?        
1 1 1 15 44 0  o 679.2993 21.63643 4676.295   293.2967 4676.295   293.2967 4676.295   293.2967 679.2993 21.63643 679.2993 21.63643 -0.000000 0.000000 
1 1 1 15 44 1  o 435.6208 10.09275 1906.145   87.93227 1906.145   87.93227 ?          ?        435.6208 10.09275 ?        ?        ?         ?        
1 1 1 15 44 2  o 157.5911 7.919679 249.0469   24.96142 249.0469   24.96142 ?          ?        157.5911 7.919679 ?        ?        ?         ?        
1 1 1 15 44 3  o 151.2704 8.813133 229.7585   26.66333 229.7585   26.66333 ?          ?        151.2704 8.813133 ?        ?        ?         ?        
1 1 1 15 44 4  o 61.16262 17.01328 39.14404   21.55759 39.14404   21.55759 ?          ?        61.16262 17.01328 ?        ?        ?         ?        
1 1 1 15 44 5  o 119.4283 9.500340 143.5282   22.69220 143.5282   22.69220 ?          ?        119.4283 9.500340 ?        ?        ?         ?        
1 1 1 15 44 6  o 83.33067 13.61576 70.34581   22.69220 70.34581   22.69220 ?          ?        83.33067 13.61576 ?        ?        ?         ?        
1 1 1 15 44 7  o 367.4119 8.878328 1359.263   65.24007 1359.263   65.24007 ?          ?        367.4119 8.878328 ?        ?        ?         ?        
1 1 1 15 44 8  o 213.4176 7.177119 458.3824   30.63447 458.3824   30.63447 ?          ?        213.4176 7.177119 ?        ?        ?         ?        
1 1 1 15 44 9  o 89.16879 11.76997 81.12460   20.99029 81.12460   20.99029 ?          ?        89.16879 11.76997 ?        ?        ?         ?        
1 1 1 15 44 10 o 144.2235 8.457051 210.4701   24.39412 210.4701   24.39412 ?          ?        144.2235 8.457051 ?        ?        ?         ?        
1 1 1 15 44 11 o 110.3952 9.249939 124.2398   20.42298 124.2398   20.42298 ?          ?        110.3952 9.249939 ?        ?        ?         ?        
1 1 1 15 44 12 o 185.9380 7.322505 350.5945   27.23064 350.5945   27.23064 ?          ?        185.9380 7.322505 ?        ?        ?         ?        
1 1 1 15 44 13 f 155.4142 7.300554 245.6430   22.69220 245.6430   22.69220 ?          ?        155.4142 7.300554 ?        ?        ?         ?        
1 1 1 15 45 0  o 656.0803 21.19019 4365.412   277.4121 4365.412   277.4121 4365.412   277.4121 656.0803 21.19019 656.0803 21.19019 -0.000000 0.000000 
1 1 1 15 45 1  f 435.8369 10.15283 1909.549   88.49958 1909.549   88.49958 ?          ?        435.8369 10.15283 ?        ?        ?         ?        
1 1 1 15 45 2  o 92.76999 12.53611 86.79766   23.25950 86.79766   23.25950 ?          ?        92.76999 12.53611 ?        ?        ?         ?        
1 1 1 15 45 3  o 194.9025 8.004457 381.2289   31.20177 381.2289   31.20177 ?          ?        194.9025 8.004457 ?        ?        ?         ?        
1 1 1 15 45 4  o 103.9459 10.91539 108.9226   22.69220 108.9226   22.69220 ?          ?        103.9459 10.91539 ?        ?        ?         ?        
1 1 1 15 45 5  o 83.05773 12.97747 69.77851   21.55759 69.77851   21.55759 ?          ?        83.05773 12.97747 ?        ?        ?         ?        
1 1 1 15 45 6  o 109.0345 11.44657 120.2687   24.96142 120.2687   24.96142 ?          ?        109.0345 11.44657 ?        ?        ?         ?        
1 1 1 15 45 7  o 59.12460 19.03339 35.74022   25.52872 35.74022   25.52872 ?          ?        59.12460 19.03339 ?        ?        ?         ?        
1 1 1 15 45 8  o 233.2074 7.297860 547.4493   34.03830 547.4493   34.03830 ?          ?        233.2074 7.297860 ?        ?        ?         ?        
1 1 1 15 45 9  o 225.6611 7.290511 513.4110   32.90369 513.4110   32.90369 ?          ?        225.6611 7.290511 ?        ?        ?         ?        
1 1 1 15 45 10 o 114.6306 9.155619 133.3167   20.99029 133.3167   20.99029 ?          ?        114.6306 9.155619 ?        ?        ?         ?        
1 1 1 15 45 11 o 180.9575 7.524045 331.8734   27.23064 331.8734   27.23064 ?          ?        180.9575 7.524045 ?        ?        ?         ?        
1 1 1 15 45 12 o 294.9333 8.078711 885.5631   47.65361 885.5631   47.65361 ?          ?        294.9333 8.078711 ?        ?        ?         ?        
1 1 1 15 45 13 f 200.9258 8.611538 413.5653   34.60560 413.5653   34.60560 ?          ?        200.9258 8.611538 ?        ?        ?         ?        
1 1 1 15 46 0  f 32.18823 21.40207 -6.240355  35.17290 -6.240355  35.17290 -6.240355  35.17290 32.18823 21.40207 32.18823 21.40207 -0.000000 0.000000 
1 1 1 15 46 1  o 79.74660 14.78259 66.37468   22.69220 66.37468   22.69220 ?          ?        79.74660 14.78259 ?        ?        ?         ?        
1 1 1 15 46 2  o 266.7659 7.868430 714.2369   41.98057 714.2369   41.98057 ?          ?        266.7659 7.868430 ?        ?        ?         ?        
1 1 1 15 46 3  o 266.5196 7.556414 713.1024   40.27865 713.1024   40.27865 ?          ?        266.5196 7.556414 ?        ?        ?         ?        
1 1 1 15 46 4  o 418.0746 9.973557 1759.780   83.39383 1759.780   83.39383 ?          ?        418.0746 9.973557 ?        ?        ?         ?        
1 1 1 15 46 5  o 29.57374 13.84619 -19.85567  20.42298 -19.85567  20.42298 ?          ?        29.57374 13.84619 ?        ?        ?         ?        
1 1 1 15 46 6  o 400.1253 9.570273 1613.983   76.58617 1613.983   76.58617 ?          ?        400.1253 9.570273 ?        ?        ?         ?        
1 1 1 15 46 7  o 293.0350 9.873413 869.1111   57.86510 869.1111   57.86510 ?          ?        293.0350 9.873413 ?        ?        ?         ?        
1 1 1 15 46 8  f 26.06666 12.67482 -35.74022  20.99029 -35.74022  20.99029 ?          ?        26.06666 12.67482 ?        ?        ?         ?        
1 1 1 15 46 9  o 90.63110 11.58007 83.96114   20.99029 83.96114   20.99029 ?          ?        90.63110 11.58007 ?        ?        ?         ?        
1 1 1 15 46 10 o 39.92952 16.24781 7.942269   20.42298 7.942269   20.42298 ?          ?        39.92952 16.24781 ?        ?        ?         ?        
1 1 1 15 46 11 o 50.99928 17.91221 26.09603   22.69220 26.09603   22.69220 ?          ?        50.99928 17.91221 ?        ?        ?         ?        
1 1 1 15 46 12 o 158.8106 7.501644 256.4218   23.82681 256.4218   23.82681 ?          ?        158.8106 7.501644 ?        ?        ?         ?        
1 1 1 15 46 13 f 117.6984 10.12197 143.5282   23.82681 143.5282   23.82681 ?          ?        117.6984 10.12197 ?        ?        ?         ?        
1 1 1 15 47 0  o 165.8752 12.09898 280.8159   39.71135 280.8159   39.71135 280.8159   39.71135 165.8752 12.09898 165.8752 12.09898 -0.000000 0.000000 
1 1 1 15 47 1  o 48.45384 18.00410 18.72106   23.25950 18.72106   23.25950 ?          ?        48.45384 18.00410 ?        ?        ?         ?        
1 1 1 15 47 2  o 232.5398 7.562770 542.9108   35.17290 542.9108   35.17290 ?          ?        232.5398 7.562770 ?        ?        ?         ?        
1 1 1 15 47 3  o 283.4322 9.607461 808.4095   54.46128 808.4095   54.46128 ?          ?        283.4322 9.607461 ?        ?        ?         ?        
1 1 1 15 47 4  o 189.2400 7.644409 359.6714   28.93255 359.6714   28.93255 ?          ?        189.2400 7.644409 ?        ?        ?         ?        
1 1 1 15 47 5  o 112.6155 11.08259 128.2109   24.96142 128.2109   24.96142 ?          ?        112.6155 11.08259 ?        ?        ?         ?        
1 1 1 15 47 6  o 360.3654 8.973220 1311.042   64.67276 1311.042   64.67276 ?          ?        360.3654 8.973220 ?        ?        ?         ?        
1 1 1 15 47 7  o 322.1901 8.187614 1046.678   52.75936 1046.678   52.75936 ?          ?        322.1901 8.187614 ?        ?        ?         ?        
1 1 1 15 47 8  o 156.7083 7.964293 247.9123   24.96142 247.9123   24.96142 ?          ?        156.7083 7.964293 ?        ?        ?         ?        
1 1 1 15 47 9  o 159.7080 7.637097 257.5565   24.39412 257.5565   24.39412 ?          ?        159.7080 7.637097 ?        ?        ?         ?        
1 1 1 15 47 10 o 237.5934 7.282526 571.2761   34.60560 571.2761   34.60560 ?          ?        237.5934 7.282526 ?        ?        ?         ?        
1 1 1 15 47 11 o 86.53967 12.12755 77.72078   20.99029 77.72078   20.99029 ?          ?        86.53967 12.12755 ?        ?        ?         ?        
1 1 1 15 47 12 o 55.77904 16.59033 34.60560   19.85567 34.60560   19.85567 ?          ?        55.77904 16.59033 ?        ?        ?         ?        
1 1 1 15 48 0  o 17.19300 12.81257 -102.1149  32.90369 -102.1149  32.90369 -102.1149  32.90369 17.19300 12.81257 17.19300 12.81257 -0.000000 0.000000 
1 1 1 15 48 1  o 43.64421 17.50644 9.644185   23.25950 9.644185   23.25950 ?          ?        43.64421 17.50644 ?        ?        ?         ?        
1 1 1 15 48 2  o 32.55595 15.13832 -20.99029  23.82681 -20.99029  23.82681 ?          ?        32.55595 15.13832 ?        ?        ?         ?        
1 1 1 15 48 3  o 462.4665 12.38961 2163.701   114.5956 2163.701   114.5956 ?          ?        462.4665 12.38961 ?        ?        ?         ?        
1 1 1 15 48 4  o 148.0134 9.007070 220.6816   26.66333 220.6816   26.66333 ?          ?        148.0134 9.007070 ?        ?        ?         ?        
1 1 1 15 48 5  o 54.64271 17.73195 30.06716   22.12490 30.06716   22.12490 ?          ?        54.64271 17.73195 ?        ?        ?         ?        
1 1 1 15 48 6  o 173.8306 8.158877 304.6428   28.36525 304.6428   28.36525 ?          ?        173.8306 8.158877 ?        ?        ?         ?        
1 1 1 15 48 7  o 98.12509 11.56289 98.14376   22.69220 98.14376   22.69220 ?          ?        98.12509 11.56289 ?        ?        ?         ?        
1 1 1 15 48 8  o 78.08847 13.94225 64.67276   20.99029 64.67276   20.99029 ?          ?        78.08847 13.94225 ?        ?        ?         ?        
1 1 1 15 48 9  o 43.54853 17.20882 12.48071   22.12490 12.48071   22.12490 ?          ?        43.54853 17.20882 ?        ?        ?         ?        
1 1 1 15 48 10 o 60.38648 16.78484 40.27865   20.99029 40.27865   20.99029 ?          ?        60.38648 16.78484 ?        ?        ?         ?        
1 1 1 15 48 11 o 88.50235 13.46112 82.25922   23.82681 82.25922   23.82681 ?          ?        88.50235 13.46112 ?        ?        ?         ?        
1 1 1 15 48 12 o 150.8241 7.898872 232.0277   23.82681 232.0277   23.82681 ?          ?        150.8241 7.898872 ?        ?        ?         ?        
1 1 1 15 49 0  o 163.5085 11.20939 272.3064   36.30752 272.3064   36.30752 272.3064   36.30752 163.5085 11.20939 163.5085 11.20939 -0.000000 0.000000 
1 1 1 15 49 1  o 148.3302 8.605368 221.2489   25.52872 221.2489   25.52872 ?          ?        148.3302 8.605368 ?        ?        ?         ?        
1 1 1 15 49 2  o 328.4835 8.635214 1085.822   56.73050 1085.822   56.73050 ?          ?        328.4835 8.635214 ?        ?        ?         ?        
1 1 1 15 49 3  f 139.1503 9.376925 195.1529   26.09603 195.1529   26.09603 ?          ?        139.1503 9.376925 ?        ?        ?         ?        
1 1 1 15 49 4  o 215.6202 7.498458 467.4593   32.33638 467.4593   32.33638 ?          ?        215.6202 7.498458 ?        ?        ?         ?        
1 1 1 15 49 5  o 304.5819 8.195306 935.4859   49.92284 935.4859   49.92284 ?          ?        304.5819 8.195306 ?        ?        ?         ?        
1 1 1 15 49 6  o 73.99860 15.45319 58.43241   22.12490 58.43241   22.12490 ?          ?        73.99860 15.45319 ?        ?        ?         ?        
1 1 1 15 49 7  o 97.79237 11.60223 97.57646   22.69220 97.57646   22.69220 ?          ?        97.79237 11.60223 ?        ?        ?         ?        
1 1 1 15 49 8  o 184.2028 7.699462 342.6522   28.36525 342.6522   28.36525 ?          ?        184.2028 7.699462 ?        ?        ?         ?        
1 1 1 15 49 9  o 140.0813 8.099655 199.1240   22.69220 199.1240   22.69220 ?          ?        140.0813 8.099655 ?        ?        ?         ?        
1 1 1 15 49 10 o 73.99510 15.79788 60.13433   22.69220 60.13433   22.69220 ?          ?        73.99510 15.79788 ?        ?        ?         ?        
1 1 1 15 49 11 f 181.1277 7.516974 333.5753   27.23064 333.5753   27.23064 ?          ?        181.1277 7.516974 ?        ?        ?         ?        
1 1 1 15 49 12 o 179.3582 8.065577 329.0369   28.93255 329.0369   28.93255 ?          ?        179.3582 8.065577 ?        ?        ?         ?        
1 1 1 15 50 0  o 27.20336 18.84321 -20.99029  32.90369 -20.99029  32.90369 -20.99029  32.90369 27.20336 18.84321 27.20336 18.84321 -0.000000 0.000000 
1 1 1 15 50 1  o 109.6859 12.41301 121.9706   27.23064 121.9706   27.23064 ?          ?        109.6859 12.41301 ?        ?        ?         ?        
1 1 1 15 50 2  o 80.41635 15.36423 68.07660   23.82681 68.07660   23.82681 ?          ?        80.41635 15.36423 ?        ?        ?         ?        
1 1 1 15 50 3  o 69.98558 16.12726 52.19205   22.12490 52.19205   22.12490 ?          ?        69.98558 16.12726 ?        ?        ?         ?        
1 1 1 15 50 4  o 298.5156 7.886742 898.0438   47.08631 898.0438   47.08631 ?          ?        298.5156 7.886742 ?        ?        ?         ?        
1 1 1 15 50 5  o 88.54697 12.81365 79.99000   22.69220 79.99000   22.69220 ?          ?        88.54697 12.81365 ?        ?        ?         ?        
1 1 1 15 50 6  o 311.2029 8.203242 978.0337   51.05745 978.0337   51.05745 ?          ?        311.2029 8.203242 ?        ?        ?         ?        
1 1 1 15 50 7  o 240.8007 7.656712 585.4587   36.87482 585.4587   36.87482 ?          ?        240.8007 7.656712 ?        ?        ?         ?        
1 1 1 15 50 8  o 92.58685 11.94818 87.93227   22.12490 87.93227   22.12490 ?          ?        92.58685 11.94818 ?        ?        ?         ?        
1 1 1 15 50 9  o 37.49738 16.38688 -2.269220  23.25950 -2.269220  23.25950 ?          ?        37.49738 16.38688 ?        ?        ?         ?        
1 1 1 15 50 10 o 64.62791 16.59431 46.51900   21.55759 46.51900   21.55759 ?          ?        64.62791 16.59431 ?        ?        ?         ?        
1 1 1 15 50 11 o 24.58723 11.96005 -30.63447  18.72106 -30.63447  18.72106 ?          ?        24.58723 11.96005 ?        ?        ?         ?        
1 1 1 15 50 12 o 29.59566 13.78401 -15.31723  19.85567 -15.31723  19.85567 ?          ?        29.59566 13.78401 ?        ?        ?         ?        
1 1 1 15 51 0  o 254.0827 10.98478 652.9680   55.59589 652.9680   55.59589 652.9680   55.59589 254.0827 10.98478 254.0827 10.98478 -0.000000 0.000000 
1 1 1 15 51 1  o 164.7367 8.609270 273.4410   28.36525 273.4410   28.36525 ?          ?        164.7367 8.609270 ?        ?        ?         ?        
1 1 1 15 51 2  o 52.75319 18.76027 25.52872   24.96142 25.52872   24.96142 ?          ?        52.75319 18.76027 ?        ?        ?         ?        
1 1 1 15 51 3  o 177.5607 7.827729 317.6908   27.79794 317.6908   27.79794 ?          ?        177.5607 7.827729 ?        ?        ?         ?        
1 1 1 15 51 4  o 61.18137 17.88852 39.71135   23.25950 39.71135   23.25950 ?          ?        61.18137 17.88852 ?        ?        ?         ?        
1 1 1 15 51 5  o 142.1204 8.781786 204.2298   24.96142 204.2298   24.96142 ?          ?        142.1204 8.781786 ?        ?        ?         ?        
1 1 1 15 51 6  f 103.2862 11.53436 108.9226   23.82681 108.9226   23.82681 ?          ?        103.2862 11.53436 ?        ?        ?         ?        
1 1 1 15 51 7  o 49.19394 17.44035 22.69220   21.55759 22.69220   21.55759 ?          ?        49.19394 17.44035 ?        ?        ?         ?        
1 1 1 15 51 8  o 130.7144 9.331077 174.1626   24.39412 174.1626   24.39412 ?          ?        130.7144 9.331077 ?        ?        ?         ?        
1 1 1 15 51 9  o 206.1080 7.844523 431.7191   32.33638 431.7191   32.33638 ?          ?        206.1080 7.844523 ?        ?        ?         ?        
1 1 1 15 51 10 o 83.77730 11.17311 72.61504   18.72106 72.61504   18.72106 ?          ?        83.77730 11.17311 ?        ?        ?         ?        
1 1 1 15 51 11 o 152.8594 8.721520 239.4027   26.66333 239.4027   26.66333 ?          ?        152.8594 8.721520 ?        ?        ?         ?        
1 1 1 15 52 0  o 78.81992 26.91851 82.82652   38.00943 82.82652   38.00943 82.82652   38.00943 78.81992 26.91851 78.81992 26.91851 -0.000000 0.000000 
1 1 1 15 52 1  o 183.4487 8.040357 339.2484   29.49986 339.2484   29.49986 ?          ?        183.4487 8.040357 ?        ?        ?         ?        
1 1 1 15 52 2  o 258.8097 7.562322 674.5256   39.14404 674.5256   39.14404 ?          ?        258.8097 7.562322 ?        ?        ?         ?        
1 1 1 15 52 3  o 78.64878 15.70336 65.80738   23.82681 65.80738   23.82681 ?          ?        78.64878 15.70336 ?        ?        ?         ?        
1 1 1 15 52 4  o 135.1339 9.445714 184.9414   25.52872 184.9414   25.52872 ?          ?        135.1339 9.445714 ?        ?        ?         ?        
1 1 1 15 52 5  o 103.6027 11.49912 109.4899   23.82681 109.4899   23.82681 ?          ?        103.6027 11.49912 ?        ?        ?         ?        
1 1 1 15 52 6  o 86.55347 13.43649 77.15348   23.25950 77.15348   23.25950 ?          ?        86.55347 13.43649 ?        ?        ?         ?        
1 1 1 15 52 7  o 124.3491 9.352503 157.1435   23.25950 157.1435   23.25950 ?          ?        124.3491 9.352503 ?        ?        ?         ?        
1 1 1 15 52 8  o 61.80146 18.39037 41.98057   24.39412 41.98057   24.39412 ?          ?        61.80146 18.39037 ?        ?        ?         ?        
1 1 1 15 52 9  o 83.12871 14.86823 74.88425   23.82681 74.88425   23.82681 ?          ?        83.12871 14.86823 ?        ?        ?         ?        
1 1 1 15 52 10 o 40.54516 16.76647 7.942269   22.12490 7.942269   22.12490 ?          ?        40.54516 16.76647 ?        ?        ?         ?        
1 1 1 15 52 11 o 114.1290 10.19001 135.0186   23.25950 135.0186   23.25950 ?          ?        114.1290 10.19001 ?        ?        ?         ?        
1 1 1 15 53 0  o 169.9963 11.79484 295.5659   39.71135 295.5659   39.71135 295.5659   39.71135 169.9963 11.79484 169.9963 11.79484 -0.000000 0.000000 
1 1 1 15 53 1  o 258.7966 8.001123 675.0929   41.41326 675.0929   41.41326 ?          ?        258.7966 8.001123 ?        ?        ?         ?        
1 1 1 15 53 2  o 176.0155 8.218754 312.5851   28.93255 312.5851   28.93255 ?          ?        176.0155 8.218754 ?        ?        ?         ?        
1 1 1 15 53 3  o 232.1383 8.553382 544.6128   39.71135 544.6128   39.71135 ?          ?        232.1383 8.553382 ?        ?        ?         ?        
1 1 1 15 53 4  o 43.93734 17.55522 11.34610   23.25950 11.34610   23.25950 ?          ?        43.93734 17.55522 ?        ?        ?         ?        
1 1 1 15 53 5  o 91.27798 13.05178 85.66305   23.82681 85.66305   23.82681 ?          ?        91.27798 13.05178 ?        ?        ?         ?        
1 1 1 15 53 6  o 111.1295 10.72029 125.9417   23.82681 125.9417   23.82681 ?          ?        111.1295 10.72029 ?        ?        ?         ?        
1 1 1 15 53 7  o 168.4657 8.250330 288.1909   27.79794 288.1909   27.79794 ?          ?        168.4657 8.250330 ?        ?        ?         ?        
1 1 1 15 53 8  o 116.7525 9.475127 139.5570   22.12490 139.5570   22.12490 ?          ?        116.7525 9.475127 ?        ?        ?         ?        
1 1 1 15 53 9  o 216.6471 7.724772 477.1035   33.47099 477.1035   33.47099 ?          ?        216.6471 7.724772 ?        ?        ?         ?        
1 1 1 15 53 10 o 30.55073 14.13243 -14.18262  20.42298 -14.18262  20.42298 ?          ?        30.55073 14.13243 ?        ?        ?         ?        
1 1 1 15 54 0  o 222.6714 11.01254 503.7668   48.78823 503.7668   48.78823 503.7668   48.78823 222.6714 11.01254 222.6714 11.01254 -0.000000 0.000000 
1 1 1 15 54 1  o 95.96928 12.41377 94.17262   23.82681 94.17262   23.82681 ?          ?        95.96928 12.41377 ?        ?        ?         ?        
1 1 1 15 54 2  o 187.0250 7.734944 352.8637   28.93255 352.8637   28.93255 ?          ?        187.0250 7.734944 ?        ?        ?         ?        
1 1 1 15 54 3  f 287.1693 8.000804 832.8038   45.95170 832.8038   45.95170 ?          ?        287.1693 8.000804 ?        ?        ?         ?        
1 1 1 15 54 4  o 101.0636 12.91069 104.9514   26.09603 104.9514   26.09603 ?          ?        101.0636 12.91069 ?        ?        ?         ?        
1 1 1 15 54 5  o 249.6511 7.839750 629.7086   39.14404 629.7086   39.14404 ?          ?        249.6511 7.839750 ?        ?        ?         ?        
1 1 1 15 54 6  o 108.8993 10.67936 121.4033   23.25950 121.4033   23.25950 ?          ?        108.8993 10.67936 ?        ?        ?         ?        
1 1 1 15 54 7  o 115.4069 10.56875 136.7205   24.39412 136.7205   24.39412 ?          ?        115.4069 10.56875 ?        ?        ?         ?        
1 1 1 15 54 8  o 104.6023 11.11806 112.8937   23.25950 112.8937   23.25950 ?          ?        104.6023 11.11806 ?        ?        ?         ?        
1 1 1 15 54 9  o 196.5437 7.937617 393.7097   31.20177 393.7097   31.20177 ?          ?        196.5437 7.937617 ?        ?        ?         ?        
1 1 1 15 54 10 o 221.3053 7.946692 500.3629   35.17290 500.3629   35.17290 ?          ?        221.3053 7.946692 ?        ?        ?         ?        
1 1 1 15 55 0  o 28.75057 19.58208 -13.61532  32.90369 -13.61532  32.90369 -13.61532  32.90369 28.75057 19.58208 28.75057 19.58208 -0.000000 0.000000 
1 1 1 15 55 1  o 104.2882 11.96752 111.1918   24.96142 111.1918   24.96142 ?          ?        104.2882 11.96752 ?        ?        ?         ?        
1 1 1 15 55 2  o 246.6828 7.704111 614.3914   38.00943 614.3914   38.00943 ?          ?        246.6828 7.704111 ?        ?        ?         ?        
1 1 1 15 55 3  o 141.9198 9.193932 204.2298   26.09603 204.2298   26.09603 ?          ?        141.9198 9.193932 ?        ?        ?         ?        
1 1 1 15 55 4  o 234.6931 7.855966 556.5261   36.87482 556.5261   36.87482 ?          ?        234.6931 7.855966 ?        ?        ?         ?        
1 1 1 15 55 5  o 198.1247 7.731107 397.1135   30.63447 397.1135   30.63447 ?          ?        198.1247 7.731107 ?        ?        ?         ?        
1 1 1 15 55 6  o 179.2164 9.654696 327.9023   34.60560 327.9023   34.60560 ?          ?        179.2164 9.654696 ?        ?        ?         ?        
1 1 1 15 55 7  o 171.3722 7.944881 298.4024   27.23064 298.4024   27.23064 ?          ?        171.3722 7.944881 ?        ?        ?         ?        
1 1 1 15 55 8  f 117.2703 10.64269 141.8262   24.96142 141.8262   24.96142 ?          ?        117.2703 10.64269 ?        ?        ?         ?        
1 1 1 15 55 9  o 51.40362 18.12660 27.23064   23.25950 27.23064   23.25950 ?          ?        51.40362 18.12660 ?        ?        ?         ?        
1 1 1 15 55 10 o 126.6529 9.182380 165.0858   23.25950 165.0858   23.25950 ?          ?        126.6529 9.182380 ?        ?        ?         ?        
1 1 1 15 56 0  o 289.6370 11.29976 851.5248   65.24007 851.5248   65.24007 851.5248   65.24007 289.6370 11.29976 289.6370 11.29976 -0.000000 0.000000 
1 1 1 15 56 1  o 191.5697 8.143715 371.0175   31.20177 371.0175   31.20177 ?          ?        191.5697 8.143715 ?        ?        ?         ?        
1 1 1 15 56 2  o 68.24027 16.39190 50.49014   22.12490 50.49014   22.12490 ?          ?        68.24027 16.39190 ?        ?        ?         ?        
1 1 1 15 56 3  o 38.49828 16.38272 1.701915   22.12490 1.701915   22.12490 ?          ?        38.49828 16.38272 ?        ?        ?         ?        
1 1 1 15 56 4  o 48.09119 18.14867 19.28837   23.82681 19.28837   23.82681 ?          ?        48.09119 18.14867 ?        ?        ?         ?        
1 1 1 15 56 5  o 110.0809 10.56473 124.2398   23.25950 124.2398   23.25950 ?          ?        110.0809 10.56473 ?        ?        ?         ?        
1 1 1 15 56 6  o 159.8440 10.64735 263.2295   34.03830 263.2295   34.03830 ?          ?        159.8440 10.64735 ?        ?        ?         ?        
1 1 1 15 56 7  f 109.2804 10.64212 123.1052   23.25950 123.1052   23.25950 ?          ?        109.2804 10.64212 ?        ?        ?         ?        
1 1 1 15 56 8  o 33.42165 15.30745 -13.04801  23.25950 -13.04801  23.25950 ?          ?        33.42165 15.30745 ?        ?        ?         ?        
1 1 1 15 56 9  o 32.03325 14.69881 -12.48071  21.55759 -12.48071  21.55759 ?          ?        32.03325 14.69881 ?        ?        ?         ?        
1 1 1 15 57 0  o 28.32331 19.47079 -17.58645  34.03830 -17.58645  34.03830 -17.58645  34.03830 28.32331 19.47079 28.32331 19.47079 -0.000000 0.000000 
1 1 1 15 57 1  o 76.82286 15.68107 63.53815   23.25950 63.53815   23.25950 ?          ?        76.82286 15.68107 ?        ?        ?         ?        
1 1 1 15 57 2  o 171.5933 8.595866 298.4024   29.49986 298.4024   29.49986 ?          ?        171.5933 8.595866 ?        ?        ?         ?        
1 1 1 15 57 3  o 60.85855 18.44750 40.27865   24.39412 40.27865   24.39412 ?          ?        60.85855 18.44750 ?        ?        ?         ?        
1 1 1 15 57 4  o 74.46537 16.07478 60.70163   23.25950 60.70163   23.25950 ?          ?        74.46537 16.07478 ?        ?        ?         ?        
1 1 1 15 57 5  o 37.77127 16.44761 -1.134610  23.25950 -1.134610  23.25950 ?          ?        37.77127 16.44761 ?        ?        ?         ?        
1 1 1 15 57 6  o 54.71022 18.62022 31.20177   24.39412 31.20177   24.39412 ?          ?        54.71022 18.62022 ?        ?        ?         ?        
1 1 1 15 57 7  f 149.5162 9.485679 229.1912   28.36525 229.1912   28.36525 ?          ?        149.5162 9.485679 ?        ?        ?         ?        
1 1 1 15 57 8  o 98.78969 12.05936 102.1149   23.82681 102.1149   23.82681 ?          ?        98.78969 12.05936 ?        ?        ?         ?        
1 1 1 15 57 9  o 34.95258 15.57295 -5.105744  22.12490 -5.105744  22.12490 ?          ?        34.95258 15.57295 ?        ?        ?         ?        
1 1 1 15 58 0  o 229.8910 10.16033 537.2378   46.51900 537.2378   46.51900 537.2378   46.51900 229.8910 10.16033 229.8910 10.16033 -0.000000 0.000000 
1 1 1 15 58 1  o 167.3031 8.477203 284.2198   28.36525 284.2198   28.36525 ?          ?        167.3031 8.477203 ?        ?        ?         ?        
1 1 1 15 58 2  o 210.4434 8.356858 449.8729   35.17290 449.8729   35.17290 ?          ?        210.4434 8.356858 ?        ?        ?         ?        
1 1 1 15 58 3  o 57.87906 18.83546 35.74022   24.96142 35.74022   24.96142 ?          ?        57.87906 18.83546 ?        ?        ?         ?        
1 1 1 15 58 4  o 36.46224 16.05799 -3.403830  22.69220 -3.403830  22.69220 ?          ?        36.46224 16.05799 ?        ?        ?         ?        
1 1 1 15 58 5  o 233.2197 8.027224 552.5551   37.44213 552.5551   37.44213 ?          ?        233.2197 8.027224 ?        ?        ?         ?        
1 1 1 15 58 6  o 50.09050 18.07972 24.39412   23.25950 24.39412   23.25950 ?          ?        50.09050 18.07972 ?        ?        ?         ?        
1 1 1 15 58 7  o 32.04810 14.85254 -15.88454  22.69220 -15.88454  22.69220 ?          ?        32.04810 14.85254 ?        ?        ?         ?        
1 1 1 15 58 8  f 131.4124 9.065665 177.5665   23.82681 177.5665   23.82681 ?          ?        131.4124 9.065665 ?        ?        ?         ?        
1 1 1 15 59 0  o 24.03205 17.05864 -32.33638  31.76908 -32.33638  31.76908 -32.33638  31.76908 24.03205 17.05864 24.03205 17.05864 -0.000000 0.000000 
1 1 1 15 59 1  o 191.0894 8.015740 370.4502   30.63447 370.4502   30.63447 ?          ?        191.0894 8.015740 ?        ?        ?         ?        
1 1 1 15 59 2  o 74.45977 16.78218 61.26894   24.39412 61.26894   24.39412 ?          ?        74.45977 16.78218 ?        ?        ?         ?        
1 1 1 15 59 3  o 214.6165 8.062196 468.5939   34.60560 468.5939   34.60560 ?          ?        214.6165 8.062196 ?        ?        ?         ?        
1 1 1 15 59 4  o 203.1685 7.958023 419.2384   32.33638 419.2384   32.33638 ?          ?        203.1685 7.958023 ?        ?        ?         ?        
1 1 1 15 59 5  o 43.76143 17.77401 11.34610   24.39412 11.34610   24.39412 ?          ?        43.76143 17.77401 ?        ?        ?         ?        
1 1 1 15 59 6  o 38.34701 16.23868 3.971134   21.55759 3.971134   21.55759 ?          ?        38.34701 16.23868 ?        ?        ?         ?        
1 1 1 15 59 7  o 80.12399 15.41889 70.91312   23.82681 70.91312   23.82681 ?          ?        80.12399 15.41889 ?        ?        ?         ?        
1 1 1 15 59 8  o 34.32780 15.59023 -9.644185  23.25950 -9.644185  23.25950 ?          ?        34.32780 15.59023 ?        ?        ?         ?        
1 1 1 15 60 0  o 175.4975 11.41274 317.1235   39.71135 317.1235   39.71135 317.1235   39.71135 175.4975 11.41274 175.4975 11.41274 -0.000000 0.000000 
1 1 1 15 60 1  f 252.1588 7.649295 645.5931   38.57674 645.5931   38.57674 ?          ?        252.1588 7.649295 ?        ?        ?         ?        
1 1 1 15 60 2  o 47.71795 17.94954 19.85567   23.25950 19.85567   23.25950 ?          ?        47.71795 17.94954 ?        ?        ?         ?        
1 1 1 15 60 3  o 116.4977 10.46978 139.5570   24.39412 139.5570   24.39412 ?          ?        116.4977 10.46978 ?        ?        ?         ?        
1 1 1 15 60 4  o 81.70711 14.77541 72.61504   23.25950 72.61504   23.25950 ?          ?        81.70711 14.77541 ?        ?        ?         ?        
1 1 1 15 60 5  o 162.5513 8.550516 270.0372   27.79794 270.0372   27.79794 ?          ?        162.5513 8.550516 ?        ?        ?         ?        
1 1 1 15 60 6  o 197.4652 8.187868 398.2480   32.33638 398.2480   32.33638 ?          ?        197.4652 8.187868 ?        ?        ?         ?        
1 1 1 15 60 7  o 95.39191 11.59684 95.30723   22.12490 95.30723   22.12490 ?          ?        95.39191 11.59684 ?        ?        ?         ?        
1 1 1 15 61 0  o 27.80425 19.28108 -19.85567  34.60560 -19.85567  34.60560 -19.85567  34.60560 27.80425 19.28108 27.80425 19.28108 -0.000000 0.000000 
1 1 1 15 61 1  o 26.60337 13.10416 -47.65361  24.39412 -47.65361  24.39412 ?          ?        26.60337 13.10416 ?        ?        ?         ?        
1 1 1 15 61 2  o 46.81441 18.00822 18.15376   23.82681 18.15376   23.82681 ?          ?        46.81441 18.00822 ?        ?        ?         ?        
1 1 1 15 61 3  o 122.4589 10.88664 154.8743   26.66333 154.8743   26.66333 ?          ?        122.4589 10.88664 ?        ?        ?         ?        
1 1 1 15 61 4  o 43.12868 18.04451 7.942269   26.09603 7.942269   26.09603 ?          ?        43.12868 18.04451 ?        ?        ?         ?        
1 1 1 15 61 5  f 176.5167 8.195416 318.2581   28.93255 318.2581   28.93255 ?          ?        176.5167 8.195416 ?        ?        ?         ?        
1 1 1 15 61 6  o 39.78422 17.27617 1.134610   25.52872 1.134610   25.52872 ?          ?        39.78422 17.27617 ?        ?        ?         ?        
1 1 1 15 62 0  o 125.4111 16.02797 170.1915   39.14404 170.1915   39.14404 170.1915   39.14404 125.4111 16.02797 125.4111 16.02797 -0.000000 0.000000 
1 1 1 15 62 1  o 100.5737 12.40951 105.5187   24.96142 105.5187   24.96142 ?          ?        100.5737 12.40951 ?        ?        ?         ?        
1 1 1 15 62 2  o 111.3514 11.46313 128.7782   25.52872 128.7782   25.52872 ?          ?        111.3514 11.46313 ?        ?        ?         ?        
1 1 1 15 62 3  o 160.9180 9.342388 266.0660   30.06716 266.0660   30.06716 ?          ?        160.9180 9.342388 ?        ?        ?         ?        
1 1 1 15 62 4  o 50.67802 18.68618 24.96142   24.96142 24.96142   24.96142 ?          ?        50.67802 18.68618 ?        ?        ?         ?        
1 1 1 15 62 5  o 40.97830 17.41854 5.105744   24.96142 5.105744   24.96142 ?          ?        40.97830 17.41854 ?        ?        ?         ?        
1 1 1 15 62 6  o 37.76879 16.64044 -2.269220  24.39412 -2.269220  24.39412 ?          ?        37.76879 16.64044 ?        ?        ?         ?        
1 1 1 15 63 0  o 179.7817 12.26453 335.2772   43.68248 335.2772   43.68248 335.2772   43.68248 179.7817 12.26453 179.7817 12.26453 -0.000000 0.000000 
1 1 1 15 63 1  f 35.10109 15.99703 -11.91340  24.96142 -11.91340  24.96142 ?          ?        35.10109 15.99703 ?        ?        ?         ?        
1 1 1 15 63 2  o 98.55800 12.66331 102.1149   24.96142 102.1149   24.96142 ?          ?        98.55800 12.66331 ?        ?        ?         ?        
1 1 1 15 63 3  o 94.37427 14.12638 94.73994   26.66333 94.73994   26.66333 ?          ?        94.37427 14.12638 ?        ?        ?         ?        
1 1 1 15 63 4  o 134.9868 10.29654 188.9126   27.79794 188.9126   27.79794 ?          ?        134.9868 10.29654 ?        ?        ?         ?        
1 1 1 15 63 5  o 138.5007 9.216099 197.4221   25.52872 197.4221   25.52872 ?          ?        138.5007 9.216099 ?        ?        ?         ?        
1 1 1 15 64 0  o 102.5844 18.58466 119.1340   34.60560 119.1340   34.60560 119.1340   34.60560 102.5844 18.58466 102.5844 18.58466 -0.000000 0.000000 
1 1 1 15 64 1  o 165.3676 9.091009 280.8159   30.06716 280.8159   30.06716 ?          ?        165.3676 9.091009 ?        ?        ?         ?        
1 1 1 15 64 2  o 81.70515 15.84063 74.31695   24.96142 74.31695   24.96142 ?          ?        81.70515 15.84063 ?        ?        ?         ?        
1 1 1 15 64 3  o 57.96382 18.36075 38.00943   23.82681 38.00943   23.82681 ?          ?        57.96382 18.36075 ?        ?        ?         ?        
1 1 1 15 64 4  o 50.23836 18.08499 25.52872   23.25950 25.52872   23.25950 ?          ?        50.23836 18.08499 ?        ?        ?         ?        
1 1 1 15 65 0  o 37.03939 23.43349 12.48071   36.30752 12.48071   36.30752 12.48071   36.30752 37.03939 23.43349 37.03939 23.43349 -0.000000 0.000000 
1 1 1 15 65 1  o 42.23383 17.97888 5.673049   26.66333 5.673049   26.66333 ?          ?        42.23383 17.97888 ?        ?        ?         ?        
1 1 1 15 65 2  o 247.9486 8.236778 629.1412   40.84595 629.1412   40.84595 ?          ?        247.9486 8.236778 ?        ?        ?         ?        
1 1 1 16 0  0  o 56.93053 28.94097 48.22092   40.84595 48.22092   40.84595 48.22092   40.84595 56.93053 28.94097 56.93053 28.94097 -0.000000 0.000000 
1 1 1 16 0  1  o 133.6799 16.78581 181.5376   45.38440 181.5376   45.38440 181.5376   45.38440 133.6799 16.78581 133.6799 16.78581 -0.000000 0.000000 
1 1 1 16 0  2  o 73.83449 26.82735 73.18234   36.30752 73.18234   36.30752 73.18234   36.30752 73.83449 26.82735 73.83449 26.82735 -0.000000 0.000000 
1 1 1 16 0  3  o 235.2874 10.16763 557.6608   47.65361 557.6608   47.65361 557.6608   47.65361 235.2874 10.16763 235.2874 10.16763 -0.000000 0.000000 
1 1 1 16 0  4  f 295.1530 13.41792 878.7554   78.85539 878.7554   78.85539 878.7554   78.85539 295.1530 13.41792 295.1530 13.41792 -0.000000 0.000000 
1 1 1 16 0  5  o 209.6462 10.88618 443.6324   45.38440 443.6324   45.38440 443.6324   45.38440 209.6462 10.88618 209.6462 10.88618 -0.000000 0.000000 
1 1 1 16 0  6  o 264.9583 12.26059 707.4293   64.67276 707.4293   64.67276 707.4293   64.67276 264.9583 12.26059 264.9583 12.26059 -0.000000 0.000000 
1 1 1 16 0  7  o 359.2704 15.21782 1300.830   108.9226 1300.830   108.9226 1300.830   108.9226 359.2704 15.21782 359.2704 15.21782 -0.000000 0.000000 
1 1 1 16 0  8  o 354.1233 15.68570 1264.523   110.6245 1264.523   110.6245 1264.523   110.6245 354.1233 15.68570 354.1233 15.68570 -0.000000 0.000000 
1 1 1 16 0  9  o 108.6567 14.09268 120.2687   30.63447 120.2687   30.63447 120.2687   30.63447 108.6567 14.09268 108.6567 14.09268 -0.000000 0.000000 
1 1 1 16 0  10 o 357.6042 16.97700 1292.888   120.8360 1292.888   120.8360 1292.888   120.8360 357.6042 16.97700 357.6042 16.97700 -0.000000 0.000000 
1 1 1 16 0  11 o 109.3877 12.73992 124.8071   27.23064 124.8071   27.23064 124.8071   27.23064 109.3877 12.73992 109.3877 12.73992 -0.000000 0.000000 
1 1 1 16 0  12 o 346.7215 13.62615 1212.898   94.17262 1212.898   94.17262 1212.898   94.17262 346.7215 13.62615 346.7215 13.62615 -0.000000 0.000000 
1 1 1 16 0  13 o 551.3531 25.32340 3122.447   277.9794 3122.447   277.9794 3122.447   277.9794 551.3531 25.32340 551.3531 25.32340 -0.000000 0.000000 
1 1 1 16 0  14 o 36.16038 20.98904 17.01915   24.39412 17.01915   24.39412 17.01915   24.39412 36.16038 20.98904 36.16038 20.98904 -0.000000 0.000000 
1 1 1 16 0  15 o 28.91602 20.05328 -23.25950  37.44213 -23.25950  37.44213 -23.25950  37.44213 28.91602 20.05328 28.91602 20.05328 -0.000000 0.000000 
1 1 1 16 0  16 o 174.0523 10.50949 309.1812   36.30752 309.1812   36.30752 309.1812   36.30752 174.0523 10.50949 174.0523 10.50949 -0.000000 0.000000 
1 1 1 16 0  17 o 345.0678 13.94146 1225.379   95.87454 1225.379   95.87454 1225.379   95.87454 345.0678 13.94146 345.0678 13.94146 -0.000000 0.000000 
1 1 1 16 0  18 o 41.34176 21.82896 27.23064   23.82681 27.23064   23.82681 27.23064   23.82681 41.34176 21.82896 41.34176 21.82896 -0.000000 0.000000 
1 1 1 16 1  0  o 40.15425 23.18215 20.99029   29.49986 20.99029   29.49986 20.99029   29.49986 40.15425 23.18215 40.15425 23.18215 -0.000000 0.000000 
1 1 1 16 1  1  o 174.1998 7.164595 304.0754   24.96142 304.0754   24.96142 ?          ?        174.1998 7.164595 ?        ?        ?         ?        
1 1 1 16 1  2  o 137.2649 7.852549 188.9126   21.55759 188.9126   21.55759 ?          ?        137.2649 7.852549 ?        ?        ?         ?        
1 1 1 16 1  3  o 46.17942 15.29145 20.42298   16.45185 20.42298   16.45185 ?          ?        46.17942 15.29145 ?        ?        ?         ?        
1 1 1 16 1  4  o 290.8364 8.387573 847.5536   48.78823 847.5536   48.78823 ?          ?        290.8364 8.387573 ?        ?        ?         ?        
1 1 1 16 1  5  o 431.4680 12.55658 1868.135   108.3553 1868.135   108.3553 ?          ?        431.4680 12.55658 ?        ?        ?         ?        
1 1 1 16 1  6  o 354.5376 10.64084 1259.417   75.45156 1259.417   75.45156 ?          ?        354.5376 10.64084 ?        ?        ?         ?        
1 1 1 16 1  7  o 219.2031 7.505297 481.0746   32.90369 481.0746   32.90369 ?          ?        219.2031 7.505297 ?        ?        ?         ?        
1 1 1 16 1  8  o 340.2162 9.421284 1159.571   64.10546 1159.571   64.10546 ?          ?        340.2162 9.421284 ?        ?        ?         ?        
1 1 1 16 1  9  o 260.8956 8.371640 681.9006   43.68248 681.9006   43.68248 ?          ?        260.8956 8.371640 ?        ?        ?         ?        
1 1 1 16 1  10 o 725.3353 22.56439 5341.176   327.3350 5341.176   327.3350 ?          ?        725.3353 22.56439 ?        ?        ?         ?        
1 1 1 16 1  11 o 226.2247 7.523118 512.8437   34.03830 512.8437   34.03830 ?          ?        226.2247 7.523118 ?        ?        ?         ?        
1 1 1 16 1  12 o 232.9281 7.671940 544.0455   35.74022 544.0455   35.74022 ?          ?        232.9281 7.671940 ?        ?        ?         ?        
1 1 1 16 1  13 o 128.4092 8.394097 165.6530   21.55759 165.6530   21.55759 ?          ?        128.4092 8.394097 ?        ?        ?         ?        
1 1 1 16 1  14 o 117.5468 8.204553 138.9897   19.28837 138.9897   19.28837 ?          ?        117.5468 8.204553 ?        ?        ?         ?        
1 1 1 16 1  15 o 47.60409 14.97961 23.25950   15.88454 23.25950   15.88454 ?          ?        47.60409 14.97961 ?        ?        ?         ?        
1 1 1 16 1  16 o 75.32533 10.54396 57.86510   15.88454 57.86510   15.88454 ?          ?        75.32533 10.54396 ?        ?        ?         ?        
1 1 1 16 1  17 o 203.9705 7.231404 421.5076   29.49986 421.5076   29.49986 ?          ?        203.9705 7.231404 ?        ?        ?         ?        
1 1 1 16 1  18 o 105.2246 8.626194 113.4610   18.15376 113.4610   18.15376 ?          ?        105.2246 8.626194 ?        ?        ?         ?        
1 1 1 16 2  0  f 21.21185 14.78456 -17.58645  21.55759 -17.58645  21.55759 -17.58645  21.55759 21.21185 14.78456 21.21185 14.78456 -0.000000 0.000000 
1 1 1 16 2  1  o 196.9570 6.624804 388.6039   26.09603 388.6039   26.09603 ?          ?        196.9570 6.624804 ?        ?        ?         ?        
1 1 1 16 2  2  o 173.4480 5.560276 301.2389   19.28837 301.2389   19.28837 ?          ?        173.4480 5.560276 ?        ?        ?         ?        
1 1 1 16 2  3  o 418.6396 8.062936 1756.376   67.50929 1756.376   67.50929 ?          ?        418.6396 8.062936 ?        ?        ?         ?        
1 1 1 16 2  4  o 505.1206 17.07124 2572.728   172.4607 2572.728   172.4607 ?          ?        505.1206 17.07124 ?        ?        ?         ?        
1 1 1 16 2  5  o 143.3951 8.308095 205.9317   23.82681 205.9317   23.82681 ?          ?        143.3951 8.308095 ?        ?        ?         ?        
1 1 1 16 2  6  o 297.6240 9.816482 887.2649   58.43241 887.2649   58.43241 ?          ?        297.6240 9.816482 ?        ?        ?         ?        
1 1 1 16 2  7  o 251.5006 9.248290 633.6796   46.51900 633.6796   46.51900 ?          ?        251.5006 9.248290 ?        ?        ?         ?        
1 1 1 16 2  8  f 415.2749 12.08994 1729.713   100.4130 1729.713   100.4130 ?          ?        415.2749 12.08994 ?        ?        ?         ?        
1 1 1 16 2  9  o 381.9295 10.02622 1462.512   76.58617 1462.512   76.58617 ?          ?        381.9295 10.02622 ?        ?        ?         ?        
1 1 1 16 2  10 o 521.2100 19.48305 2747.458   203.0952 2747.458   203.0952 ?          ?        521.2100 19.48305 ?        ?        ?         ?        
1 1 1 16 2  11 o 223.8682 6.968782 502.0649   31.20177 502.0649   31.20177 ?          ?        223.8682 6.968782 ?        ?        ?         ?        
1 1 1 16 2  12 o 226.1823 7.273712 512.8437   32.90369 512.8437   32.90369 ?          ?        226.1823 7.273712 ?        ?        ?         ?        
1 1 1 16 2  13 o 237.8980 7.153969 567.8723   34.03830 567.8723   34.03830 ?          ?        237.8980 7.153969 ?        ?        ?         ?        
1 1 1 16 2  14 o 174.3283 6.996603 305.2101   24.39412 305.2101   24.39412 ?          ?        174.3283 6.996603 ?        ?        ?         ?        
1 1 1 16 2  15 o 47.15730 14.99699 22.69220   15.88454 22.69220   15.88454 ?          ?        47.15730 14.99699 ?        ?        ?         ?        
1 1 1 16 2  16 o 172.3347 6.912946 299.5370   23.82681 299.5370   23.82681 ?          ?        172.3347 6.912946 ?        ?        ?         ?        
1 1 1 16 2  17 o 263.1498 9.593423 708.5638   50.49014 708.5638   50.49014 ?          ?        263.1498 9.593423 ?        ?        ?         ?        
1 1 1 16 2  18 o 35.21949 14.17353 7.374964   15.31723 7.374964   15.31723 ?          ?        35.21949 14.17353 ?        ?        ?         ?        
1 1 1 16 3  0  o 201.9507 10.31031 411.8634   41.41326 411.8634   41.41326 411.8634   41.41326 201.9507 10.31031 201.9507 10.31031 -0.000000 0.000000 
1 1 1 16 3  1  o 111.5374 8.900906 124.8071   19.85567 124.8071   19.85567 ?          ?        111.5374 8.900906 ?        ?        ?         ?        
1 1 1 16 3  2  o 199.0622 7.124721 397.1135   28.36525 397.1135   28.36525 ?          ?        199.0622 7.124721 ?        ?        ?         ?        
1 1 1 16 3  3  o 335.2241 8.038499 1126.100   53.89397 1126.100   53.89397 ?          ?        335.2241 8.038499 ?        ?        ?         ?        
1 1 1 16 3  4  o 142.5806 7.957673 203.6625   22.69220 203.6625   22.69220 ?          ?        142.5806 7.957673 ?        ?        ?         ?        
1 1 1 16 3  5  o 278.2381 6.830378 774.9386   38.00943 774.9386   38.00943 ?          ?        278.2381 6.830378 ?        ?        ?         ?        
1 1 1 16 3  6  o 133.1944 7.240683 177.5665   19.28837 177.5665   19.28837 ?          ?        133.1944 7.240683 ?        ?        ?         ?        
1 1 1 16 3  7  o 278.5218 7.332632 776.6405   40.84595 776.6405   40.84595 ?          ?        278.5218 7.332632 ?        ?        ?         ?        
1 1 1 16 3  8  o 217.9336 6.768085 475.4016   29.49986 475.4016   29.49986 ?          ?        217.9336 6.768085 ?        ?        ?         ?        
1 1 1 16 3  9  o 485.9449 15.29329 2375.873   148.6339 2375.873   148.6339 ?          ?        485.9449 15.29329 ?        ?        ?         ?        
1 1 1 16 3  10 o 442.3127 14.04434 1967.981   124.2398 1967.981   124.2398 ?          ?        442.3127 14.04434 ?        ?        ?         ?        
1 1 1 16 3  11 o 254.2866 7.250643 647.8623   36.87482 647.8623   36.87482 ?          ?        254.2866 7.250643 ?        ?        ?         ?        
1 1 1 16 3  12 o 220.0916 7.346118 485.6130   32.33638 485.6130   32.33638 ?          ?        220.0916 7.346118 ?        ?        ?         ?        
1 1 1 16 3  13 f 222.3050 7.017785 495.8246   31.20177 495.8246   31.20177 ?          ?        222.3050 7.017785 ?        ?        ?         ?        
1 1 1 16 3  14 o 82.75716 10.96809 69.21120   18.15376 69.21120   18.15376 ?          ?        82.75716 10.96809 ?        ?        ?         ?        
1 1 1 16 3  15 o 91.71730 8.968780 85.09574   16.45185 85.09574   16.45185 ?          ?        91.71730 8.968780 ?        ?        ?         ?        
1 1 1 16 3  16 o 37.53471 14.24560 10.77879   14.74993 10.77879   14.74993 ?          ?        37.53471 14.24560 ?        ?        ?         ?        
1 1 1 16 3  17 o 127.5065 7.786144 165.0858   19.85567 165.0858   19.85567 ?          ?        127.5065 7.786144 ?        ?        ?         ?        
1 1 1 16 3  18 o 58.14370 14.24121 37.44213   16.45185 37.44213   16.45185 ?          ?        58.14370 14.24121 ?        ?        ?         ?        
1 1 1 16 4  0  o 125.1373 12.46546 161.6819   30.63447 161.6819   30.63447 161.6819   30.63447 125.1373 12.46546 125.1373 12.46546 -0.000000 0.000000 
1 1 1 16 4  1  o 161.8068 5.083792 262.0949   16.45185 262.0949   16.45185 ?          ?        161.8068 5.083792 ?        ?        ?         ?        
1 1 1 16 4  2  o 401.9831 10.65506 1623.627   85.66305 1623.627   85.66305 ?          ?        401.9831 10.65506 ?        ?        ?         ?        
1 1 1 16 4  3  o 171.1531 6.297750 293.2967   21.55759 293.2967   21.55759 ?          ?        171.1531 6.297750 ?        ?        ?         ?        
1 1 1 16 4  4  o 292.2701 8.637582 856.0632   50.49014 856.0632   50.49014 ?          ?        292.2701 8.637582 ?        ?        ?         ?        
1 1 1 16 4  5  o 84.46804 9.402692 71.48043   15.88454 71.48043   15.88454 ?          ?        84.46804 9.402692 ?        ?        ?         ?        
1 1 1 16 4  6  f 333.9138 11.72280 1117.591   78.28809 1117.591   78.28809 ?          ?        333.9138 11.72280 ?        ?        ?         ?        
1 1 1 16 4  7  o 210.9122 10.49010 445.9017   44.24979 445.9017   44.24979 ?          ?        210.9122 10.49010 ?        ?        ?         ?        
1 1 1 16 4  8  o 430.7584 14.88200 1864.164   128.2109 1864.164   128.2109 ?          ?        430.7584 14.88200 ?        ?        ?         ?        
1 1 1 16 4  9  o 592.3422 18.53211 3540.550   219.5470 3540.550   219.5470 ?          ?        592.3422 18.53211 ?        ?        ?         ?        
1 1 1 16 4  10 o 287.5720 9.863705 829.3998   56.73050 829.3998   56.73050 ?          ?        287.5720 9.863705 ?        ?        ?         ?        
1 1 1 16 4  11 o 292.2645 7.764267 856.0632   45.38440 856.0632   45.38440 ?          ?        292.2645 7.764267 ?        ?        ?         ?        
1 1 1 16 4  12 o 259.2176 8.097555 673.9583   41.98057 673.9583   41.98057 ?          ?        259.2176 8.097555 ?        ?        ?         ?        
1 1 1 16 4  13 o 63.06372 15.03413 41.98057   18.72106 41.98057   18.72106 ?          ?        63.06372 15.03413 ?        ?        ?         ?        
1 1 1 16 4  14 o 266.4850 8.089607 714.2369   43.11518 714.2369   43.11518 ?          ?        266.4850 8.089607 ?        ?        ?         ?        
1 1 1 16 4  15 o 257.9677 8.026831 671.6891   41.41326 671.6891   41.41326 ?          ?        257.9677 8.026831 ?        ?        ?         ?        
1 1 1 16 4  16 o 189.2055 7.196048 361.3732   27.23064 361.3732   27.23064 ?          ?        189.2055 7.196048 ?        ?        ?         ?        
1 1 1 16 4  17 o 119.9881 8.037619 146.3647   19.28837 146.3647   19.28837 ?          ?        119.9881 8.037619 ?        ?        ?         ?        
1 1 1 16 4  18 o 59.97480 13.96377 39.71135   16.45185 39.71135   16.45185 ?          ?        59.97480 13.96377 ?        ?        ?         ?        
1 1 1 16 5  0  o 175.9582 7.118247 311.4504   24.96142 311.4504   24.96142 311.4504   24.96142 175.9582 7.118247 175.9582 7.118247 -0.000000 0.000000 
1 1 1 16 5  1  o 88.94789 9.566921 79.42269   17.01915 79.42269   17.01915 ?          ?        88.94789 9.566921 ?        ?        ?         ?        
1 1 1 16 5  2  o 204.5178 7.489437 419.2384   30.63447 419.2384   30.63447 ?          ?        204.5178 7.489437 ?        ?        ?         ?        
1 1 1 16 5  3  o 188.3756 5.119657 355.1329   19.28837 355.1329   19.28837 ?          ?        188.3756 5.119657 ?        ?        ?         ?        
1 1 1 16 5  4  o 159.1259 7.130264 253.5853   22.69220 253.5853   22.69220 ?          ?        159.1259 7.130264 ?        ?        ?         ?        
1 1 1 16 5  5  o 704.4476 20.05244 5003.063   282.5179 5003.063   282.5179 ?          ?        704.4476 20.05244 ?        ?        ?         ?        
1 1 1 16 5  6  o 262.6544 9.719512 690.9775   51.05745 690.9775   51.05745 ?          ?        262.6544 9.719512 ?        ?        ?         ?        
1 1 1 16 5  7  o 121.5487 10.03471 148.0666   24.39412 148.0666   24.39412 ?          ?        121.5487 10.03471 ?        ?        ?         ?        
1 1 1 16 5  8  o 297.3604 10.01596 886.1303   59.56702 886.1303   59.56702 ?          ?        297.3604 10.01596 ?        ?        ?         ?        
1 1 1 16 5  9  o 517.4487 16.44525 2696.968   170.1915 2696.968   170.1915 ?          ?        517.4487 16.44525 ?        ?        ?         ?        
1 1 1 16 5  10 o 408.2213 13.20215 1675.251   107.7879 1675.251   107.7879 ?          ?        408.2213 13.20215 ?        ?        ?         ?        
1 1 1 16 5  11 o 242.0017 8.439188 587.1606   40.84595 587.1606   40.84595 ?          ?        242.0017 8.439188 ?        ?        ?         ?        
1 1 1 16 5  12 o 266.7620 7.974876 713.6697   42.54787 713.6697   42.54787 ?          ?        266.7620 7.974876 ?        ?        ?         ?        
1 1 1 16 5  13 o 229.3392 7.791999 528.1609   35.74022 528.1609   35.74022 ?          ?        229.3392 7.791999 ?        ?        ?         ?        
1 1 1 16 5  14 o 144.8766 7.831562 211.0374   22.69220 211.0374   22.69220 ?          ?        144.8766 7.831562 ?        ?        ?         ?        
1 1 1 16 5  15 o 222.9596 8.269395 502.0649   36.87482 502.0649   36.87482 ?          ?        222.9596 8.269395 ?        ?        ?         ?        
1 1 1 16 5  16 o 163.9462 6.920623 271.1718   22.69220 271.1718   22.69220 ?          ?        163.9462 6.920623 ?        ?        ?         ?        
1 1 1 16 5  17 o 158.9127 7.675319 256.4218   24.39412 256.4218   24.39412 ?          ?        158.9127 7.675319 ?        ?        ?         ?        
1 1 1 16 5  18 o 53.03515 15.57017 31.20177   17.58645 31.20177   17.58645 ?          ?        53.03515 15.57017 ?        ?        ?         ?        
1 1 1 16 6  0  f 127.9457 9.641665 166.7877   24.39412 166.7877   24.39412 166.7877   24.39412 127.9457 9.641665 127.9457 9.641665 -0.000000 0.000000 
1 1 1 16 6  1  o 40.88707 15.35916 12.48071   17.01915 12.48071   17.01915 ?          ?        40.88707 15.35916 ?        ?        ?         ?        
1 1 1 16 6  2  o 418.1716 10.98872 1756.944   91.90340 1756.944   91.90340 ?          ?        418.1716 10.98872 ?        ?        ?         ?        
1 1 1 16 6  3  o 177.2056 5.442370 314.2870   19.28837 314.2870   19.28837 ?          ?        177.2056 5.442370 ?        ?        ?         ?        
1 1 1 16 6  4  o 269.7668 7.675752 728.9869   41.41326 728.9869   41.41326 ?          ?        269.7668 7.675752 ?        ?        ?         ?        
1 1 1 16 6  5  o 267.9416 7.728038 718.7754   41.41326 718.7754   41.41326 ?          ?        267.9416 7.728038 ?        ?        ?         ?        
1 1 1 16 6  6  o 403.6617 11.80534 1633.271   95.30723 1633.271   95.30723 ?          ?        403.6617 11.80534 ?        ?        ?         ?        
1 1 1 16 6  7  o 467.4375 15.53471 2196.605   145.2301 2196.605   145.2301 ?          ?        467.4375 15.53471 ?        ?        ?         ?        
1 1 1 16 6  8  o 215.1895 9.886142 464.0555   42.54787 464.0555   42.54787 ?          ?        215.1895 9.886142 ?        ?        ?         ?        
1 1 1 16 6  9  o 570.3666 20.73808 3291.503   236.5662 3291.503   236.5662 ?          ?        570.3666 20.73808 ?        ?        ?         ?        
1 1 1 16 6  10 o 557.8479 20.49160 3151.947   228.6239 3151.947   228.6239 ?          ?        557.8479 20.49160 ?        ?        ?         ?        
1 1 1 16 6  11 o 214.4657 8.729163 461.2190   37.44213 461.2190   37.44213 ?          ?        214.4657 8.729163 ?        ?        ?         ?        
1 1 1 16 6  12 o 266.9200 9.564187 715.3715   51.05745 715.3715   51.05745 ?          ?        266.9200 9.564187 ?        ?        ?         ?        
1 1 1 16 6  13 o 229.5813 7.783782 529.2956   35.74022 529.2956   35.74022 ?          ?        229.5813 7.783782 ?        ?        ?         ?        
1 1 1 16 6  14 o 280.6440 8.287905 792.5250   46.51900 792.5250   46.51900 ?          ?        280.6440 8.287905 ?        ?        ?         ?        
1 1 1 16 6  15 o 51.91450 15.34117 28.36525   17.01915 28.36525   17.01915 ?          ?        51.91450 15.34117 ?        ?        ?         ?        
1 1 1 16 6  16 f 73.25088 11.61703 55.02858   17.01915 55.02858   17.01915 ?          ?        73.25088 11.61703 ?        ?        ?         ?        
1 1 1 16 6  17 o 43.21690 15.47856 17.58645   17.01915 17.58645   17.01915 ?          ?        43.21690 15.47856 ?        ?        ?         ?        
1 1 1 16 6  18 o 39.92736 15.97261 10.77879   19.28837 10.77879   19.28837 ?          ?        39.92736 15.97261 ?        ?        ?         ?        
1 1 1 16 7  0  o 30.00232 19.08862 3.971134   24.39412 3.971134   24.39412 3.971134   24.39412 30.00232 19.08862 30.00232 19.08862 -0.000000 0.000000 
1 1 1 16 7  1  o 244.5490 6.379453 599.0740   31.20177 599.0740   31.20177 ?          ?        244.5490 6.379453 ?        ?        ?         ?        
1 1 1 16 7  2  o 227.0425 6.371617 516.2476   28.93255 516.2476   28.93255 ?          ?        227.0425 6.371617 ?        ?        ?         ?        
1 1 1 16 7  3  o 655.3544 12.50858 4313.787   163.9511 4313.787   163.9511 ?          ?        655.3544 12.50858 ?        ?        ?         ?        
1 1 1 16 7  4  o 87.41801 8.760915 76.58617   15.31723 76.58617   15.31723 ?          ?        87.41801 8.760915 ?        ?        ?         ?        
1 1 1 16 7  5  o 418.8853 12.32432 1759.780   103.2495 1759.780   103.2495 ?          ?        418.8853 12.32432 ?        ?        ?         ?        
1 1 1 16 7  6  o 349.9837 12.64338 1228.215   88.49958 1228.215   88.49958 ?          ?        349.9837 12.64338 ?        ?        ?         ?        
1 1 1 16 7  7  o 355.4787 10.61267 1266.792   75.45156 1266.792   75.45156 ?          ?        355.4787 10.61267 ?        ?        ?         ?        
1 1 1 16 7  8  o 357.6638 11.81674 1283.244   84.52843 1283.244   84.52843 ?          ?        357.6638 11.81674 ?        ?        ?         ?        
1 1 1 16 7  9  o 159.6582 7.284157 255.2872   23.25950 255.2872   23.25950 ?          ?        159.6582 7.284157 ?        ?        ?         ?        
1 1 1 16 7  10 o 253.9560 7.818550 646.1603   39.71135 646.1603   39.71135 ?          ?        253.9560 7.818550 ?        ?        ?         ?        
1 1 1 16 7  11 o 168.5831 7.571555 284.7871   25.52872 284.7871   25.52872 ?          ?        168.5831 7.571555 ?        ?        ?         ?        
1 1 1 16 7  12 o 271.3065 8.886798 738.6310   48.22092 738.6310   48.22092 ?          ?        271.3065 8.886798 ?        ?        ?         ?        
1 1 1 16 7  13 o 160.7066 7.413139 259.2584   23.82681 259.2584   23.82681 ?          ?        160.7066 7.413139 ?        ?        ?         ?        
1 1 1 16 7  14 o 166.0959 7.684937 277.4121   25.52872 277.4121   25.52872 ?          ?        166.0959 7.684937 ?        ?        ?         ?        
1 1 1 16 7  15 o 123.2421 7.595240 153.1723   18.72106 153.1723   18.72106 ?          ?        123.2421 7.595240 ?        ?        ?         ?        
1 1 1 16 7  16 o 165.6413 8.219763 277.9794   27.23064 277.9794   27.23064 ?          ?        165.6413 8.219763 ?        ?        ?         ?        
1 1 1 16 7  17 o 291.0631 8.965763 865.7074   52.19205 865.7074   52.19205 ?          ?        291.0631 8.965763 ?        ?        ?         ?        
1 1 1 16 7  18 o 215.5197 7.765182 474.2669   33.47099 474.2669   33.47099 ?          ?        215.5197 7.765182 ?        ?        ?         ?        
1 1 1 16 8  0  o 181.8933 16.14764 340.3830   57.86510 340.3830   57.86510 340.3830   57.86510 181.8933 16.14764 181.8933 16.14764 -0.000000 0.000000 
1 1 1 16 8  1  o 125.7064 6.318112 158.2781   15.88454 158.2781   15.88454 ?          ?        125.7064 6.318112 ?        ?        ?         ?        
1 1 1 16 8  2  o 217.5568 4.954474 473.6996   21.55759 473.6996   21.55759 ?          ?        217.5568 4.954474 ?        ?        ?         ?        
1 1 1 16 8  3  o 345.4565 8.621495 1195.879   59.56702 1195.879   59.56702 ?          ?        345.4565 8.621495 ?        ?        ?         ?        
1 1 1 16 8  4  o 155.7314 6.557116 242.8065   20.42298 242.8065   20.42298 ?          ?        155.7314 6.557116 ?        ?        ?         ?        
1 1 1 16 8  5  o 291.4608 7.493713 850.3901   43.68248 850.3901   43.68248 ?          ?        291.4608 7.493713 ?        ?        ?         ?        
1 1 1 16 8  6  o 360.4009 12.75016 1302.532   91.90340 1302.532   91.90340 ?          ?        360.4009 12.75016 ?        ?        ?         ?        
1 1 1 16 8  7  o 150.1864 6.799212 225.7874   20.42298 225.7874   20.42298 ?          ?        150.1864 6.799212 ?        ?        ?         ?        
1 1 1 16 8  8  o 97.55093 8.141665 95.30723   15.88454 95.30723   15.88454 ?          ?        97.55093 8.141665 ?        ?        ?         ?        
1 1 1 16 8  9  o 35.96374 14.60004 5.105744   16.45185 5.105744   16.45185 ?          ?        35.96374 14.60004 ?        ?        ?         ?        
1 1 1 16 8  10 o 154.7505 8.065054 239.9700   24.96142 239.9700   24.96142 ?          ?        154.7505 8.065054 ?        ?        ?         ?        
1 1 1 16 8  11 o 326.1991 9.739168 1067.668   63.53815 1067.668   63.53815 ?          ?        326.1991 9.739168 ?        ?        ?         ?        
1 1 1 16 8  12 o 426.4767 11.30681 1828.991   96.44185 1828.991   96.44185 ?          ?        426.4767 11.30681 ?        ?        ?         ?        
1 1 1 16 8  13 o 45.42430 15.55287 19.28837   17.01915 19.28837   17.01915 ?          ?        45.42430 15.55287 ?        ?        ?         ?        
1 1 1 16 8  14 o 158.1060 7.355667 251.3161   23.25950 251.3161   23.25950 ?          ?        158.1060 7.355667 ?        ?        ?         ?        
1 1 1 16 8  15 o 215.4483 7.504442 468.0266   32.33638 468.0266   32.33638 ?          ?        215.4483 7.504442 ?        ?        ?         ?        
1 1 1 16 8  16 o 120.6289 8.230066 147.4993   19.85567 147.4993   19.85567 ?          ?        120.6289 8.230066 ?        ?        ?         ?        
1 1 1 16 8  17 o 128.3082 7.737491 167.3549   19.85567 167.3549   19.85567 ?          ?        128.3082 7.737491 ?        ?        ?         ?        
1 1 1 16 8  18 o 165.4375 7.886976 279.6813   26.09603 279.6813   26.09603 ?          ?        165.4375 7.886976 ?        ?        ?         ?        
1 1 1 16 9  0  o 168.9945 12.38575 291.0274   41.41326 291.0274   41.41326 291.0274   41.41326 168.9945 12.38575 168.9945 12.38575 -0.000000 0.000000 
1 1 1 16 9  1  o 177.3485 5.278045 314.8543   18.72106 314.8543   18.72106 ?          ?        177.3485 5.278045 ?        ?        ?         ?        
1 1 1 16 9  2  o 295.1560 5.381743 871.9477   31.76908 871.9477   31.76908 ?          ?        295.1560 5.381743 ?        ?        ?         ?        
1 1 1 16 9  3  o 160.3938 6.366512 257.5565   20.42298 257.5565   20.42298 ?          ?        160.3938 6.366512 ?        ?        ?         ?        
1 1 1 16 9  4  o 96.96584 7.898263 94.17262   15.31723 94.17262   15.31723 ?          ?        96.96584 7.898263 ?        ?        ?         ?        
1 1 1 16 9  5  o 296.6366 8.223569 881.0246   48.78823 881.0246   48.78823 ?          ?        296.6366 8.223569 ?        ?        ?         ?        
1 1 1 16 9  6  o 446.7086 11.68369 2000.317   104.3841 2000.317   104.3841 ?          ?        446.7086 11.68369 ?        ?        ?         ?        
1 1 1 16 9  7  o 209.3614 9.077468 439.0940   38.00943 439.0940   38.00943 ?          ?        209.3614 9.077468 ?        ?        ?         ?        
1 1 1 16 9  8  o 285.0074 9.653888 814.0826   55.02858 814.0826   55.02858 ?          ?        285.0074 9.653888 ?        ?        ?         ?        
1 1 1 16 9  9  o 219.7906 7.614290 483.9111   33.47099 483.9111   33.47099 ?          ?        219.7906 7.614290 ?        ?        ?         ?        
1 1 1 16 9  10 o 331.3403 11.12899 1102.274   73.74965 1102.274   73.74965 ?          ?        331.3403 11.12899 ?        ?        ?         ?        
1 1 1 16 9  11 f 211.0843 7.525210 446.4690   31.76908 446.4690   31.76908 ?          ?        211.0843 7.525210 ?        ?        ?         ?        
1 1 1 16 9  12 f 429.6763 12.54292 1859.058   107.7879 1859.058   107.7879 ?          ?        429.6763 12.54292 ?        ?        ?         ?        
1 1 1 16 9  13 o 181.6643 7.494770 331.3061   27.23064 331.3061   27.23064 ?          ?        181.6643 7.494770 ?        ?        ?         ?        
1 1 1 16 9  14 o 99.51215 8.836335 99.84568   17.58645 99.84568   17.58645 ?          ?        99.51215 8.836335 ?        ?        ?         ?        
1 1 1 16 9  15 o 271.6288 8.354120 745.4387   45.38440 745.4387   45.38440 ?          ?        271.6288 8.354120 ?        ?        ?         ?        
1 1 1 16 9  16 o 145.9033 8.554096 216.1432   24.96142 216.1432   24.96142 ?          ?        145.9033 8.554096 ?        ?        ?         ?        
1 1 1 16 9  17 o 259.7577 10.37389 694.9486   53.89397 694.9486   53.89397 ?          ?        259.7577 10.37389 ?        ?        ?         ?        
1 1 1 16 9  18 o 36.95682 15.84885 2.269220   20.99029 2.269220   20.99029 ?          ?        36.95682 15.84885 ?        ?        ?         ?        
1 1 1 16 10 0  o 218.5733 7.546619 479.9400   32.90369 479.9400   32.90369 479.9400   32.90369 218.5733 7.546619 218.5733 7.546619 -0.000000 0.000000 
1 1 1 16 10 1  o 333.9443 7.984366 1117.591   53.32666 1117.591   53.32666 ?          ?        333.9443 7.984366 ?        ?        ?         ?        
1 1 1 16 10 2  o 443.7517 7.031358 1971.952   62.40355 1971.952   62.40355 ?          ?        443.7517 7.031358 ?        ?        ?         ?        
1 1 1 16 10 3  o 164.2092 7.082279 270.0372   23.25950 270.0372   23.25950 ?          ?        164.2092 7.082279 ?        ?        ?         ?        
1 1 1 16 10 4  o 340.1398 7.421969 1158.437   50.49014 1158.437   50.49014 ?          ?        340.1398 7.421969 ?        ?        ?         ?        
1 1 1 16 10 5  o 389.6250 10.26500 1520.945   79.99000 1520.945   79.99000 ?          ?        389.6250 10.26500 ?        ?        ?         ?        
1 1 1 16 10 6  o 43.83868 15.02541 17.58645   15.88454 17.58645   15.88454 ?          ?        43.83868 15.02541 ?        ?        ?         ?        
1 1 1 16 10 7  o 248.7913 9.234990 620.0643   45.95170 620.0643   45.95170 ?          ?        248.7913 9.234990 ?        ?        ?         ?        
1 1 1 16 10 8  o 46.85934 15.00662 21.55759   15.88454 21.55759   15.88454 ?          ?        46.85934 15.00662 ?        ?        ?         ?        
1 1 1 16 10 9  o 220.6754 7.840837 487.8823   34.60560 487.8823   34.60560 ?          ?        220.6754 7.840837 ?        ?        ?         ?        
1 1 1 16 10 10 o 206.5108 9.477479 427.7480   39.14404 427.7480   39.14404 ?          ?        206.5108 9.477479 ?        ?        ?         ?        
1 1 1 16 10 11 o 145.0951 8.210753 211.0374   23.82681 211.0374   23.82681 ?          ?        145.0951 8.210753 ?        ?        ?         ?        
1 1 1 16 10 12 o 375.0258 10.21079 1413.157   76.58617 1413.157   76.58617 ?          ?        375.0258 10.21079 ?        ?        ?         ?        
1 1 1 16 10 13 o 210.7442 8.748715 446.4690   36.87482 446.4690   36.87482 ?          ?        210.7442 8.748715 ?        ?        ?         ?        
1 1 1 16 10 14 o 283.6992 12.99786 820.3230   73.74965 820.3230   73.74965 ?          ?        283.6992 12.99786 ?        ?        ?         ?        
1 1 1 16 10 15 o 156.8213 8.320308 248.4796   26.09603 248.4796   26.09603 ?          ?        156.8213 8.320308 ?        ?        ?         ?        
1 1 1 16 10 16 o 75.33482 13.68301 60.70163   19.85567 60.70163   19.85567 ?          ?        75.33482 13.68301 ?        ?        ?         ?        
1 1 1 16 10 17 o 127.4158 7.791686 165.0858   19.85567 165.0858   19.85567 ?          ?        127.4158 7.791686 ?        ?        ?         ?        
1 1 1 16 10 18 o 99.70804 9.672425 102.6822   19.28837 102.6822   19.28837 ?          ?        99.70804 9.672425 ?        ?        ?         ?        
1 1 1 16 11 0  o 179.5055 6.975727 323.9312   24.96142 323.9312   24.96142 323.9312   24.96142 179.5055 6.975727 179.5055 6.975727 -0.000000 0.000000 
1 1 1 16 11 1  o 397.8699 8.127376 1586.185   64.67276 1586.185   64.67276 ?          ?        397.8699 8.127376 ?        ?        ?         ?        
1 1 1 16 11 2  o 439.9538 7.994681 1939.048   70.34581 1939.048   70.34581 ?          ?        439.9538 7.994681 ?        ?        ?         ?        
1 1 1 16 11 3  o 233.6749 7.283259 546.8820   34.03830 546.8820   34.03830 ?          ?        233.6749 7.283259 ?        ?        ?         ?        
1 1 1 16 11 4  o 178.8084 5.869492 319.9600   20.99029 319.9600   20.99029 ?          ?        178.8084 5.869492 ?        ?        ?         ?        
1 1 1 16 11 5  o 267.4451 7.318146 715.9388   39.14404 715.9388   39.14404 ?          ?        267.4451 7.318146 ?        ?        ?         ?        
1 1 1 16 11 6  o 217.6204 8.602624 474.2669   37.44213 474.2669   37.44213 ?          ?        217.6204 8.602624 ?        ?        ?         ?        
1 1 1 16 11 7  o 396.9250 13.29202 1581.079   105.5187 1581.079   105.5187 ?          ?        396.9250 13.29202 ?        ?        ?         ?        
1 1 1 16 11 8  o 166.8201 6.121258 278.5467   20.42298 278.5467   20.42298 ?          ?        166.8201 6.121258 ?        ?        ?         ?        
1 1 1 16 11 9  o 203.3069 7.952603 414.1326   32.33638 414.1326   32.33638 ?          ?        203.3069 7.952603 ?        ?        ?         ?        
1 1 1 16 11 10 o 56.24425 20.53074 26.09603   30.06716 26.09603   30.06716 ?          ?        56.24425 20.53074 ?        ?        ?         ?        
1 1 1 16 11 11 o 84.55103 15.32495 74.31695   24.96142 74.31695   24.96142 ?          ?        84.55103 15.32495 ?        ?        ?         ?        
1 1 1 16 11 12 o 83.86478 16.82780 73.74965   27.23064 73.74965   27.23064 ?          ?        83.86478 16.82780 ?        ?        ?         ?        
1 1 1 16 11 13 o 180.7453 7.375940 327.9023   26.66333 327.9023   26.66333 ?          ?        180.7453 7.375940 ?        ?        ?         ?        
1 1 1 16 11 14 o 104.6120 9.490149 110.6245   19.85567 110.6245   19.85567 ?          ?        104.6120 9.490149 ?        ?        ?         ?        
1 1 1 16 11 15 o 148.0803 7.662127 221.2489   22.69220 221.2489   22.69220 ?          ?        148.0803 7.662127 ?        ?        ?         ?        
1 1 1 16 11 16 o 101.5925 8.655387 104.9514   17.58645 104.9514   17.58645 ?          ?        101.5925 8.655387 ?        ?        ?         ?        
1 1 1 16 11 17 o 69.09007 11.08498 49.35553   15.31723 49.35553   15.31723 ?          ?        69.09007 11.08498 ?        ?        ?         ?        
1 1 1 16 11 18 o 65.36916 13.87184 47.08631   17.58645 47.08631   17.58645 ?          ?        65.36916 13.87184 ?        ?        ?         ?        
1 1 1 16 12 0  o 18.31873 12.87228 -15.88454  17.01915 -15.88454  17.01915 -15.88454  17.01915 18.31873 12.87228 18.31873 12.87228 -0.000000 0.000000 
1 1 1 16 12 1  o 71.37736 8.742765 51.05745   12.48071 51.05745   12.48071 ?          ?        71.37736 8.742765 ?        ?        ?         ?        
1 1 1 16 12 2  o 388.9893 8.750446 1516.406   68.07660 1516.406   68.07660 ?          ?        388.9893 8.750446 ?        ?        ?         ?        
1 1 1 16 12 3  o 127.0749 6.696504 161.6819   17.01915 161.6819   17.01915 ?          ?        127.0749 6.696504 ?        ?        ?         ?        
1 1 1 16 12 4  o 153.1690 7.407569 234.8643   22.69220 234.8643   22.69220 ?          ?        153.1690 7.407569 ?        ?        ?         ?        
1 1 1 16 12 5  o 103.2131 8.244663 106.6533   17.01915 106.6533   17.01915 ?          ?        103.2131 8.244663 ?        ?        ?         ?        
1 1 1 16 12 6  o 169.3105 8.209162 287.0563   27.79794 287.0563   27.79794 ?          ?        169.3105 8.209162 ?        ?        ?         ?        
1 1 1 16 12 7  o 269.2514 12.74718 727.2849   68.64390 727.2849   68.64390 ?          ?        269.2514 12.74718 ?        ?        ?         ?        
1 1 1 16 12 8  f 313.7451 10.57780 987.1107   66.37468 987.1107   66.37468 ?          ?        313.7451 10.57780 ?        ?        ?         ?        
1 1 1 16 12 9  o 65.39429 16.12866 44.81709   20.99029 44.81709   20.99029 ?          ?        65.39429 16.12866 ?        ?        ?         ?        
1 1 1 16 12 10 o 257.6480 9.578092 666.0161   49.35553 666.0161   49.35553 ?          ?        257.6480 9.578092 ?        ?        ?         ?        
1 1 1 16 12 11 o 212.0502 6.822102 450.4402   28.93255 450.4402   28.93255 ?          ?        212.0502 6.822102 ?        ?        ?         ?        
1 1 1 16 12 12 o 176.4331 6.752363 312.0177   23.82681 312.0177   23.82681 ?          ?        176.4331 6.752363 ?        ?        ?         ?        
1 1 1 16 12 13 o 194.3153 7.298770 378.9597   28.36525 378.9597   28.36525 ?          ?        194.3153 7.298770 ?        ?        ?         ?        
1 1 1 16 12 14 f 94.96323 10.15570 91.33610   19.28837 91.33610   19.28837 ?          ?        94.96323 10.15570 ?        ?        ?         ?        
1 1 1 16 12 15 o 110.8423 8.444907 124.2398   18.72106 124.2398   18.72106 ?          ?        110.8423 8.444907 ?        ?        ?         ?        
1 1 1 16 12 16 o 34.90549 14.12118 6.240355   15.31723 6.240355   15.31723 ?          ?        34.90549 14.12118 ?        ?        ?         ?        
1 1 1 16 12 17 o 185.4078 7.343445 348.8925   27.23064 348.8925   27.23064 ?          ?        185.4078 7.343445 ?        ?        ?         ?        
1 1 1 16 12 18 o 61.16405 14.17764 41.41326   17.01915 41.41326   17.01915 ?          ?        61.16405 14.17764 ?        ?        ?         ?        
1 1 1 16 13 0  o 185.6725 7.358059 346.6233   27.23064 346.6233   27.23064 346.6233   27.23064 185.6725 7.358059 185.6725 7.358059 -0.000000 0.000000 
1 1 1 16 13 1  f 272.5667 6.244032 743.7368   34.03830 743.7368   34.03830 ?          ?        272.5667 6.244032 ?        ?        ?         ?        
1 1 1 16 13 2  o 638.1271 13.86865 4094.807   176.9992 4094.807   176.9992 ?          ?        638.1271 13.86865 ?        ?        ?         ?        
1 1 1 16 13 3  o 106.4585 6.661107 113.4610   14.18262 113.4610   14.18262 ?          ?        106.4585 6.661107 ?        ?        ?         ?        
1 1 1 16 13 4  o 304.2248 7.086072 926.4091   43.11518 926.4091   43.11518 ?          ?        304.2248 7.086072 ?        ?        ?         ?        
1 1 1 16 13 5  o 512.7047 12.06079 2635.132   123.6725 2635.132   123.6725 ?          ?        512.7047 12.06079 ?        ?        ?         ?        
1 1 1 16 13 6  o 249.6698 7.157495 624.0355   35.74022 624.0355   35.74022 ?          ?        249.6698 7.157495 ?        ?        ?         ?        
1 1 1 16 13 7  o 124.8292 7.725903 156.0089   19.28837 156.0089   19.28837 ?          ?        124.8292 7.725903 ?        ?        ?         ?        
1 1 1 16 13 8  f 364.7555 9.876168 1333.734   72.04772 1333.734   72.04772 ?          ?        364.7555 9.876168 ?        ?        ?         ?        
1 1 1 16 13 9  o 194.6719 6.993983 379.5270   27.23064 379.5270   27.23064 ?          ?        194.6719 6.993983 ?        ?        ?         ?        
1 1 1 16 13 10 o 187.2012 7.424616 351.1618   27.79794 351.1618   27.79794 ?          ?        187.2012 7.424616 ?        ?        ?         ?        
1 1 1 16 13 11 o 270.4215 7.657169 732.9580   41.41326 732.9580   41.41326 ?          ?        270.4215 7.657169 ?        ?        ?         ?        
1 1 1 16 13 12 o 292.8709 8.619864 861.1690   50.49014 861.1690   50.49014 ?          ?        292.8709 8.619864 ?        ?        ?         ?        
1 1 1 16 13 13 f 365.7855 11.16664 1349.619   81.69191 1349.619   81.69191 ?          ?        365.7855 11.16664 ?        ?        ?         ?        
1 1 1 16 13 14 o 123.7789 7.562302 154.3070   18.72106 154.3070   18.72106 ?          ?        123.7789 7.562302 ?        ?        ?         ?        
1 1 1 16 13 15 o 238.2182 7.739716 572.9780   36.87482 572.9780   36.87482 ?          ?        238.2182 7.739716 ?        ?        ?         ?        
1 1 1 16 13 16 f 22.90166 11.01278 -20.99029  14.74993 -20.99029  14.74993 ?          ?        22.90166 11.01278 ?        ?        ?         ?        
1 1 1 16 13 17 o 72.10006 11.40904 53.89397   16.45185 53.89397   16.45185 ?          ?        72.10006 11.40904 ?        ?        ?         ?        
1 1 1 16 14 0  o 452.8021 18.86395 2071.230   170.1915 2071.230   170.1915 2071.230   170.1915 452.8021 18.86395 452.8021 18.86395 -0.000000 0.000000 
1 1 1 16 14 1  o 98.13686 6.936904 96.44185   13.61532 96.44185   13.61532 ?          ?        98.13686 6.936904 ?        ?        ?         ?        
1 1 1 16 14 2  o 597.9627 12.95016 3592.742   154.8743 3592.742   154.8743 ?          ?        597.9627 12.95016 ?        ?        ?         ?        
1 1 1 16 14 3  o 345.2698 8.790462 1194.177   60.70163 1194.177   60.70163 ?          ?        345.2698 8.790462 ?        ?        ?         ?        
1 1 1 16 14 4  o 109.8836 6.453476 120.8360   14.18262 120.8360   14.18262 ?          ?        109.8836 6.453476 ?        ?        ?         ?        
1 1 1 16 14 5  o 358.6446 8.304463 1287.782   59.56702 1287.782   59.56702 ?          ?        358.6446 8.304463 ?        ?        ?         ?        
1 1 1 16 14 6  o 515.7655 13.52912 2670.872   139.5570 2670.872   139.5570 ?          ?        515.7655 13.52912 ?        ?        ?         ?        
1 1 1 16 14 7  o 527.6354 15.21385 2797.381   160.5473 2797.381   160.5473 ?          ?        527.6354 15.21385 ?        ?        ?         ?        
1 1 1 16 14 8  o 276.5061 11.18171 766.9963   61.83624 766.9963   61.83624 ?          ?        276.5061 11.18171 ?        ?        ?         ?        
1 1 1 16 14 9  o 315.6477 9.525545 999.0241   60.13433 999.0241   60.13433 ?          ?        315.6477 9.525545 ?        ?        ?         ?        
1 1 1 16 14 10 o 220.2856 7.082119 486.1804   31.20177 486.1804   31.20177 ?          ?        220.2856 7.082119 ?        ?        ?         ?        
1 1 1 16 14 11 o 48.32516 15.80997 22.69220   17.58645 22.69220   17.58645 ?          ?        48.32516 15.80997 ?        ?        ?         ?        
1 1 1 16 14 12 o 47.61357 17.17619 19.28837   20.99029 19.28837   20.99029 ?          ?        47.61357 17.17619 ?        ?        ?         ?        
1 1 1 16 14 13 o 36.12040 14.62572 5.673049   16.45185 5.673049   16.45185 ?          ?        36.12040 14.62572 ?        ?        ?         ?        
1 1 1 16 14 14 o 271.0989 9.835279 743.7368   53.32666 743.7368   53.32666 ?          ?        271.0989 9.835279 ?        ?        ?         ?        
1 1 1 16 14 15 o 174.5530 6.662591 306.9120   23.25950 306.9120   23.25950 ?          ?        174.5530 6.662591 ?        ?        ?         ?        
1 1 1 16 14 16 o 38.16506 14.30611 11.91340   14.74993 11.91340   14.74993 ?          ?        38.16506 14.30611 ?        ?        ?         ?        
1 1 1 16 14 17 o 61.24676 13.33867 40.84595   15.88454 40.84595   15.88454 ?          ?        61.24676 13.33867 ?        ?        ?         ?        
1 1 1 16 15 0  o 610.1638 17.51130 3748.751   213.3067 3748.751   213.3067 3748.751   213.3067 610.1638 17.51130 610.1638 17.51130 -0.000000 0.000000 
1 1 1 16 15 1  o 101.8246 6.685671 103.8168   13.61532 103.8168   13.61532 ?          ?        101.8246 6.685671 ?        ?        ?         ?        
1 1 1 16 15 2  o 386.0801 8.155155 1493.147   62.97085 1493.147   62.97085 ?          ?        386.0801 8.155155 ?        ?        ?         ?        
1 1 1 16 15 3  f 171.3630 5.958981 293.8640   20.42298 293.8640   20.42298 ?          ?        171.3630 5.958981 ?        ?        ?         ?        
1 1 1 16 15 4  o 598.2925 15.36095 3594.444   183.8068 3594.444   183.8068 ?          ?        598.2925 15.36095 ?        ?        ?         ?        
1 1 1 16 15 5  o 432.1343 10.30546 1870.972   89.06688 1870.972   89.06688 ?          ?        432.1343 10.30546 ?        ?        ?         ?        
1 1 1 16 15 6  o 695.1359 22.97340 4887.899   319.3927 4887.899   319.3927 ?          ?        695.1359 22.97340 ?        ?        ?         ?        
1 1 1 16 15 7  o 196.1523 7.230415 385.2001   28.36525 385.2001   28.36525 ?          ?        196.1523 7.230415 ?        ?        ?         ?        
1 1 1 16 15 8  o 281.2709 8.168586 792.5250   45.95170 792.5250   45.95170 ?          ?        281.2709 8.168586 ?        ?        ?         ?        
1 1 1 16 15 9  o 215.3767 7.375235 464.6228   31.76908 464.6228   31.76908 ?          ?        215.3767 7.375235 ?        ?        ?         ?        
1 1 1 16 15 10 o 267.8607 8.259850 719.3427   44.24979 719.3427   44.24979 ?          ?        267.8607 8.259850 ?        ?        ?         ?        
1 1 1 16 15 11 o 120.0836 8.503649 144.6628   20.42298 144.6628   20.42298 ?          ?        120.0836 8.503649 ?        ?        ?         ?        
1 1 1 16 15 12 o 44.19281 16.76563 14.18262   20.42298 14.18262   20.42298 ?          ?        44.19281 16.76563 ?        ?        ?         ?        
1 1 1 16 15 13 o 242.8158 8.994983 593.4010   43.68248 593.4010   43.68248 ?          ?        242.8158 8.994983 ?        ?        ?         ?        
1 1 1 16 15 14 o 76.97372 11.05517 60.13433   17.01915 60.13433   17.01915 ?          ?        76.97372 11.05517 ?        ?        ?         ?        
1 1 1 16 15 15 o 49.56605 15.48719 25.52872   17.01915 25.52872   17.01915 ?          ?        49.56605 15.48719 ?        ?        ?         ?        
1 1 1 16 15 16 o 105.8896 8.572021 114.0283   18.15376 114.0283   18.15376 ?          ?        105.8896 8.572021 ?        ?        ?         ?        
1 1 1 16 15 17 o 35.67310 14.24835 7.942269   15.31723 7.942269   15.31723 ?          ?        35.67310 14.24835 ?        ?        ?         ?        
1 1 1 16 16 0  f 285.9680 10.14532 822.0249   57.86510 822.0249   57.86510 822.0249   57.86510 285.9680 10.14532 285.9680 10.14532 -0.000000 0.000000 
1 1 1 16 16 1  o 139.4338 5.696086 194.5856   15.88454 194.5856   15.88454 ?          ?        139.4338 5.696086 ?        ?        ?         ?        
1 1 1 16 16 2  o 494.5395 10.09481 2451.325   99.84568 2451.325   99.84568 ?          ?        494.5395 10.09481 ?        ?        ?         ?        
1 1 1 16 16 3  o 88.10528 8.048680 77.72078   14.18262 77.72078   14.18262 ?          ?        88.10528 8.048680 ?        ?        ?         ?        
1 1 1 16 16 4  o 484.7430 10.64992 2354.316   103.2495 2354.316   103.2495 ?          ?        484.7430 10.64992 ?        ?        ?         ?        
1 1 1 16 16 5  o 271.1186 7.218989 735.7945   39.14404 735.7945   39.14404 ?          ?        271.1186 7.218989 ?        ?        ?         ?        
1 1 1 16 16 6  o 669.8644 22.18866 4533.334   297.2678 4533.334   297.2678 ?          ?        669.8644 22.18866 ?        ?        ?         ?        
1 1 1 16 16 7  o 566.8605 17.81396 3237.042   201.9606 3237.042   201.9606 ?          ?        566.8605 17.81396 ?        ?        ?         ?        
1 1 1 16 16 8  o 149.7521 7.955417 224.6528   23.82681 224.6528   23.82681 ?          ?        149.7521 7.955417 ?        ?        ?         ?        
1 1 1 16 16 9  o 329.2758 9.131303 1086.956   60.13433 1086.956   60.13433 ?          ?        329.2758 9.131303 ?        ?        ?         ?        
1 1 1 16 16 10 o 202.6710 8.537383 411.8634   34.60560 411.8634   34.60560 ?          ?        202.6710 8.537383 ?        ?        ?         ?        
1 1 1 16 16 11 o 39.47512 16.45070 3.403830   21.55759 3.403830   21.55759 ?          ?        39.47512 16.45070 ?        ?        ?         ?        
1 1 1 16 16 12 o 124.6227 8.876752 156.0089   22.12490 156.0089   22.12490 ?          ?        124.6227 8.876752 ?        ?        ?         ?        
1 1 1 16 16 13 o 91.75294 11.12933 85.09574   20.42298 85.09574   20.42298 ?          ?        91.75294 11.12933 ?        ?        ?         ?        
1 1 1 16 16 14 o 124.5914 8.423648 156.5762   20.99029 156.5762   20.99029 ?          ?        124.5914 8.423648 ?        ?        ?         ?        
1 1 1 16 16 15 o 53.99583 13.64488 31.20177   14.74993 31.20177   14.74993 ?          ?        53.99583 13.64488 ?        ?        ?         ?        
1 1 1 16 16 16 o 49.23301 14.19717 26.09603   14.74993 26.09603   14.74993 ?          ?        49.23301 14.19717 ?        ?        ?         ?        
1 1 1 16 16 17 o 36.26847 13.70966 10.77879   13.61532 10.77879   13.61532 ?          ?        36.26847 13.70966 ?        ?        ?         ?        
1 1 1 16 17 0  o 302.5209 9.679360 919.0341   58.43241 919.0341   58.43241 919.0341   58.43241 302.5209 9.679360 302.5209 9.679360 -0.000000 0.000000 
1 1 1 16 17 1  o 191.1987 6.379257 365.9117   24.39412 365.9117   24.39412 ?          ?        191.1987 6.379257 ?        ?        ?         ?        
1 1 1 16 17 2  o 557.0050 11.30526 3110.533   125.9417 3110.533   125.9417 ?          ?        557.0050 11.30526 ?        ?        ?         ?        
1 1 1 16 17 3  o 112.6877 6.292891 127.0763   14.18262 127.0763   14.18262 ?          ?        112.6877 6.292891 ?        ?        ?         ?        
1 1 1 16 17 4  o 709.3265 16.51545 5054.688   234.2970 5054.688   234.2970 ?          ?        709.3265 16.51545 ?        ?        ?         ?        
1 1 1 16 17 5  o 364.9716 9.015410 1334.301   65.80738 1334.301   65.80738 ?          ?        364.9716 9.015410 ?        ?        ?         ?        
1 1 1 16 17 6  o 365.2188 9.009308 1336.003   65.80738 1336.003   65.80738 ?          ?        365.2188 9.009308 ?        ?        ?         ?        
1 1 1 16 17 7  o 486.8341 12.64344 2379.277   123.1052 2379.277   123.1052 ?          ?        486.8341 12.64344 ?        ?        ?         ?        
1 1 1 16 17 8  o 279.2625 7.516328 781.1789   41.98057 781.1789   41.98057 ?          ?        279.2625 7.516328 ?        ?        ?         ?        
1 1 1 16 17 9  o 119.6437 9.246159 143.5282   22.12490 143.5282   22.12490 ?          ?        119.6437 9.246159 ?        ?        ?         ?        
1 1 1 16 17 10 o 305.4346 10.49414 936.6205   64.10546 936.6205   64.10546 ?          ?        305.4346 10.49414 ?        ?        ?         ?        
1 1 1 16 17 11 o 191.4580 7.852155 367.6136   30.06716 367.6136   30.06716 ?          ?        191.4580 7.852155 ?        ?        ?         ?        
1 1 1 16 17 12 o 182.8775 8.220575 335.8446   30.06716 335.8446   30.06716 ?          ?        182.8775 8.220575 ?        ?        ?         ?        
1 1 1 16 17 13 o 172.8469 7.056568 300.1043   24.39412 300.1043   24.39412 ?          ?        172.8469 7.056568 ?        ?        ?         ?        
1 1 1 16 17 14 o 220.9761 9.242165 493.5553   40.84595 493.5553   40.84595 ?          ?        220.9761 9.242165 ?        ?        ?         ?        
1 1 1 16 17 15 o 95.27814 8.633589 91.90340   16.45185 91.90340   16.45185 ?          ?        95.27814 8.633589 ?        ?        ?         ?        
1 1 1 16 17 16 f 106.4164 7.996486 115.1629   17.01915 115.1629   17.01915 ?          ?        106.4164 7.996486 ?        ?        ?         ?        
1 1 1 16 17 17 o 28.33648 12.18885 0.000000   12.48071 0.000000   12.48071 ?          ?        28.33648 12.18885 ?        ?        ?         ?        
1 1 1 16 18 0  o 465.6824 13.67008 2178.451   127.0763 2178.451   127.0763 2178.451   127.0763 465.6824 13.67008 465.6824 13.67008 -0.000000 0.000000 
1 1 1 16 18 1  o 399.4023 8.451288 1597.531   67.50929 1597.531   67.50929 ?          ?        399.4023 8.451288 ?        ?        ?         ?        
1 1 1 16 18 2  o 192.2636 5.753792 369.8828   22.12490 369.8828   22.12490 ?          ?        192.2636 5.753792 ?        ?        ?         ?        
1 1 1 16 18 3  o 275.3118 6.284802 758.4867   34.60560 758.4867   34.60560 ?          ?        275.3118 6.284802 ?        ?        ?         ?        
1 1 1 16 18 4  o 240.3480 6.372941 578.0837   30.63447 578.0837   30.63447 ?          ?        240.3480 6.372941 ?        ?        ?         ?        
1 1 1 16 18 5  o 100.4296 7.343418 100.9803   14.74993 100.9803   14.74993 ?          ?        100.4296 7.343418 ?        ?        ?         ?        
1 1 1 16 18 6  o 267.9279 8.046041 718.7754   43.11518 718.7754   43.11518 ?          ?        267.9279 8.046041 ?        ?        ?         ?        
1 1 1 16 18 7  o 58.00755 14.26184 35.17290   16.45185 35.17290   16.45185 ?          ?        58.00755 14.26184 ?        ?        ?         ?        
1 1 1 16 18 8  o 418.4930 10.23471 1756.944   85.66305 1756.944   85.66305 ?          ?        418.4930 10.23471 ?        ?        ?         ?        
1 1 1 16 18 9  o 469.0373 15.11887 2216.461   141.8262 2216.461   141.8262 ?          ?        469.0373 15.11887 ?        ?        ?         ?        
1 1 1 16 18 10 o 255.5571 8.213540 654.6700   41.98057 654.6700   41.98057 ?          ?        255.5571 8.213540 ?        ?        ?         ?        
1 1 1 16 18 11 o 276.8259 10.14414 769.8329   56.16319 769.8329   56.16319 ?          ?        276.8259 10.14414 ?        ?        ?         ?        
1 1 1 16 18 12 o 89.67687 11.38698 81.12460   20.42298 81.12460   20.42298 ?          ?        89.67687 11.38698 ?        ?        ?         ?        
1 1 1 16 18 13 o 38.30213 15.56599 6.240355   18.72106 6.240355   18.72106 ?          ?        38.30213 15.56599 ?        ?        ?         ?        
1 1 1 16 18 14 o 202.4452 6.865549 412.4307   27.79794 412.4307   27.79794 ?          ?        202.4452 6.865549 ?        ?        ?         ?        
1 1 1 16 18 15 o 117.5822 7.478366 139.5570   17.58645 139.5570   17.58645 ?          ?        117.5822 7.478366 ?        ?        ?         ?        
1 1 1 16 18 16 o 81.98260 8.995769 68.64390   14.74993 68.64390   14.74993 ?          ?        81.98260 8.995769 ?        ?        ?         ?        
1 1 1 16 18 17 o 34.71522 12.61781 10.77879   11.34610 10.77879   11.34610 ?          ?        34.71522 12.61781 ?        ?        ?         ?        
1 1 1 16 19 0  o 101.0346 10.59529 105.5187   20.99029 105.5187   20.99029 105.5187   20.99029 101.0346 10.59529 101.0346 10.59529 -0.000000 0.000000 
1 1 1 16 19 1  o 493.6595 10.11281 2441.681   99.84568 2441.681   99.84568 ?          ?        493.6595 10.11281 ?        ?        ?         ?        
1 1 1 16 19 2  o 713.1170 14.31951 5104.042   204.2298 5104.042   204.2298 ?          ?        713.1170 14.31951 ?        ?        ?         ?        
1 1 1 16 19 3  o 429.3588 8.984733 1846.010   77.15348 1846.010   77.15348 ?          ?        429.3588 8.984733 ?        ?        ?         ?        
1 1 1 16 19 4  o 484.8921 11.52412 2357.152   111.7591 2357.152   111.7591 ?          ?        484.8921 11.52412 ?        ?        ?         ?        
1 1 1 16 19 5  o 342.9906 8.518079 1178.292   58.43241 1178.292   58.43241 ?          ?        342.9906 8.518079 ?        ?        ?         ?        
1 1 1 16 19 6  o 380.2868 9.472816 1448.897   72.04772 1448.897   72.04772 ?          ?        380.2868 9.472816 ?        ?        ?         ?        
1 1 1 16 19 7  o 197.8880 6.450297 392.0077   25.52872 392.0077   25.52872 ?          ?        197.8880 6.450297 ?        ?        ?         ?        
1 1 1 16 19 8  o 391.1723 10.36942 1535.127   81.12460 1535.127   81.12460 ?          ?        391.1723 10.36942 ?        ?        ?         ?        
1 1 1 16 19 9  o 264.1929 10.41447 700.6216   55.02858 700.6216   55.02858 ?          ?        264.1929 10.41447 ?        ?        ?         ?        
1 1 1 16 19 10 o 194.4434 8.023356 378.9597   31.20177 378.9597   31.20177 ?          ?        194.4434 8.023356 ?        ?        ?         ?        
1 1 1 16 19 11 o 166.3321 7.844556 277.4121   26.09603 277.4121   26.09603 ?          ?        166.3321 7.844556 ?        ?        ?         ?        
1 1 1 16 19 12 o 252.5640 7.637023 640.4873   38.57674 640.4873   38.57674 ?          ?        252.5640 7.637023 ?        ?        ?         ?        
1 1 1 16 19 13 o 86.73975 10.79151 76.01886   18.72106 76.01886   18.72106 ?          ?        86.73975 10.79151 ?        ?        ?         ?        
1 1 1 16 19 14 o 71.17414 11.55746 51.62476   16.45185 51.62476   16.45185 ?          ?        71.17414 11.55746 ?        ?        ?         ?        
1 1 1 16 19 15 o 137.7184 6.796865 191.1818   18.72106 191.1818   18.72106 ?          ?        137.7184 6.796865 ?        ?        ?         ?        
1 1 1 16 19 16 f 139.7256 6.699223 197.4221   18.72106 197.4221   18.72106 ?          ?        139.7256 6.699223 ?        ?        ?         ?        
1 1 1 16 19 17 o 146.2609 6.399886 216.7105   18.72106 216.7105   18.72106 ?          ?        146.2609 6.399886 ?        ?        ?         ?        
1 1 1 16 20 0  o 745.0939 21.28104 5587.954   316.5562 5587.954   316.5562 5587.954   316.5562 745.0939 21.28104 745.0939 21.28104 -0.000000 0.000000 
1 1 1 16 20 1  o 196.0589 5.931764 384.6328   23.25950 384.6328   23.25950 ?          ?        196.0589 5.931764 ?        ?        ?         ?        
1 1 1 16 20 2  o 293.2018 7.932933 860.6017   46.51900 860.6017   46.51900 ?          ?        293.2018 7.932933 ?        ?        ?         ?        
1 1 1 16 20 3  o 326.9897 8.327676 1070.505   54.46128 1070.505   54.46128 ?          ?        326.9897 8.327676 ?        ?        ?         ?        
1 1 1 16 20 4  o 239.2820 5.927158 572.9780   28.36525 572.9780   28.36525 ?          ?        239.2820 5.927158 ?        ?        ?         ?        
1 1 1 16 20 5  o 295.0292 7.306935 871.3804   43.11518 871.3804   43.11518 ?          ?        295.0292 7.306935 ?        ?        ?         ?        
1 1 1 16 20 6  o 262.9430 6.796192 692.1121   35.74022 692.1121   35.74022 ?          ?        262.9430 6.796192 ?        ?        ?         ?        
1 1 1 16 20 7  o 274.0897 7.140736 752.2464   39.14404 752.2464   39.14404 ?          ?        274.0897 7.140736 ?        ?        ?         ?        
1 1 1 16 20 8  o 388.2252 9.571372 1511.300   74.31695 1511.300   74.31695 ?          ?        388.2252 9.571372 ?        ?        ?         ?        
1 1 1 16 20 9  o 669.1409 15.85406 4519.151   212.1721 4519.151   212.1721 ?          ?        669.1409 15.85406 ?        ?        ?         ?        
1 1 1 16 20 10 o 209.0244 8.006481 437.9594   33.47099 437.9594   33.47099 ?          ?        209.0244 8.006481 ?        ?        ?         ?        
1 1 1 16 20 11 o 172.6415 8.050771 298.9697   27.79794 298.9697   27.79794 ?          ?        172.6415 8.050771 ?        ?        ?         ?        
1 1 1 16 20 12 o 150.7964 8.840837 228.6239   26.66333 228.6239   26.66333 ?          ?        150.7964 8.840837 ?        ?        ?         ?        
1 1 1 16 20 13 o 98.25349 10.39300 97.57646   20.42298 97.57646   20.42298 ?          ?        98.25349 10.39300 ?        ?        ?         ?        
1 1 1 16 20 14 o 218.2297 7.278816 479.9400   31.76908 479.9400   31.76908 ?          ?        218.2297 7.278816 ?        ?        ?         ?        
1 1 1 16 20 15 o 98.15347 8.380674 97.57646   16.45185 97.57646   16.45185 ?          ?        98.15347 8.380674 ?        ?        ?         ?        
1 1 1 16 20 16 o 45.65688 13.77038 22.12490   13.61532 22.12490   13.61532 ?          ?        45.65688 13.77038 ?        ?        ?         ?        
1 1 1 16 20 17 o 86.07178 7.579729 75.45156   13.04801 75.45156   13.04801 ?          ?        86.07178 7.579729 ?        ?        ?         ?        
1 1 1 16 21 0  o 207.0332 8.664324 431.1518   35.74022 431.1518   35.74022 431.1518   35.74022 207.0332 8.664324 207.0332 8.664324 -0.000000 0.000000 
1 1 1 16 21 1  o 627.1780 12.75396 3944.471   159.9800 3944.471   159.9800 ?          ?        627.1780 12.75396 ?        ?        ?         ?        
1 1 1 16 21 2  o 98.16138 7.224136 96.44185   14.18262 96.44185   14.18262 ?          ?        98.16138 7.224136 ?        ?        ?         ?        
1 1 1 16 21 3  o 207.4381 5.879854 430.5845   24.39412 430.5845   24.39412 ?          ?        207.4381 5.879854 ?        ?        ?         ?        
1 1 1 16 21 4  o 355.3319 8.302057 1264.523   58.99971 1264.523   58.99971 ?          ?        355.3319 8.302057 ?        ?        ?         ?        
1 1 1 16 21 5  o 422.4868 10.33937 1788.713   87.36497 1788.713   87.36497 ?          ?        422.4868 10.33937 ?        ?        ?         ?        
1 1 1 16 21 6  o 314.1198 8.036764 988.2452   50.49014 988.2452   50.49014 ?          ?        314.1198 8.036764 ?        ?        ?         ?        
1 1 1 16 21 7  o 68.58305 12.88202 48.78823   17.01915 48.78823   17.01915 ?          ?        68.58305 12.88202 ?        ?        ?         ?        
1 1 1 16 21 8  o 640.7691 16.46751 4139.057   211.0374 4139.057   211.0374 ?          ?        640.7691 16.46751 ?        ?        ?         ?        
1 1 1 16 21 9  o 106.3522 9.068159 113.4610   19.28837 113.4610   19.28837 ?          ?        106.3522 9.068159 ?        ?        ?         ?        
1 1 1 16 21 10 o 288.3057 8.067653 833.3709   46.51900 833.3709   46.51900 ?          ?        288.3057 8.067653 ?        ?        ?         ?        
1 1 1 16 21 11 o 156.2735 8.167964 245.0758   25.52872 245.0758   25.52872 ?          ?        156.2735 8.167964 ?        ?        ?         ?        
1 1 1 16 21 12 o 114.3775 9.423878 131.6148   21.55759 131.6148   21.55759 ?          ?        114.3775 9.423878 ?        ?        ?         ?        
1 1 1 16 21 13 o 197.8317 7.169035 393.7097   28.36525 393.7097   28.36525 ?          ?        197.8317 7.169035 ?        ?        ?         ?        
1 1 1 16 21 14 o 215.9300 7.093613 469.7285   30.63447 469.7285   30.63447 ?          ?        215.9300 7.093613 ?        ?        ?         ?        
1 1 1 16 21 15 o 295.4507 8.160571 884.4283   48.22092 884.4283   48.22092 ?          ?        295.4507 8.160571 ?        ?        ?         ?        
1 1 1 16 21 16 o 46.66911 14.05005 23.25950   14.18262 23.25950   14.18262 ?          ?        46.66911 14.05005 ?        ?        ?         ?        
1 1 1 16 21 17 o 167.0293 6.623059 283.0852   22.12490 283.0852   22.12490 ?          ?        167.0293 6.623059 ?        ?        ?         ?        
1 1 1 16 22 0  o 833.5118 23.69384 6997.139   394.2770 6997.139   394.2770 6997.139   394.2770 833.5118 23.69384 833.5118 23.69384 -0.000000 0.000000 
1 1 1 16 22 1  o 367.7989 7.789284 1354.157   57.29780 1354.157   57.29780 ?          ?        367.7989 7.789284 ?        ?        ?         ?        
1 1 1 16 22 2  o 379.2233 8.153011 1439.820   61.83624 1439.820   61.83624 ?          ?        379.2233 8.153011 ?        ?        ?         ?        
1 1 1 16 22 3  o 288.1124 7.679259 831.1017   44.24979 831.1017   44.24979 ?          ?        288.1124 7.679259 ?        ?        ?         ?        
1 1 1 16 22 4  o 223.8484 6.209102 501.4976   27.79794 501.4976   27.79794 ?          ?        223.8484 6.209102 ?        ?        ?         ?        
1 1 1 16 22 5  f 387.1281 8.865787 1501.089   68.64390 1501.089   68.64390 ?          ?        387.1281 8.865787 ?        ?        ?         ?        
1 1 1 16 22 6  o 491.8483 12.91824 2429.200   127.0763 2429.200   127.0763 ?          ?        491.8483 12.91824 ?        ?        ?         ?        
1 1 1 16 22 7  o 297.8145 7.429087 888.3995   44.24979 888.3995   44.24979 ?          ?        297.8145 7.429087 ?        ?        ?         ?        
1 1 1 16 22 8  o 217.4871 6.912401 473.6996   30.06716 473.6996   30.06716 ?          ?        217.4871 6.912401 ?        ?        ?         ?        
1 1 1 16 22 9  o 480.8265 11.68055 2323.681   112.3264 2323.681   112.3264 ?          ?        480.8265 11.68055 ?        ?        ?         ?        
1 1 1 16 22 10 o 303.6870 7.752441 924.7071   47.08631 924.7071   47.08631 ?          ?        303.6870 7.752441 ?        ?        ?         ?        
1 1 1 16 22 11 o 183.2931 7.428168 336.9791   27.23064 336.9791   27.23064 ?          ?        183.2931 7.428168 ?        ?        ?         ?        
1 1 1 16 22 12 f 175.6268 7.752418 309.7485   27.23064 309.7485   27.23064 ?          ?        175.6268 7.752418 ?        ?        ?         ?        
1 1 1 16 22 13 o 112.8062 9.806592 128.7782   22.12490 128.7782   22.12490 ?          ?        112.8062 9.806592 ?        ?        ?         ?        
1 1 1 16 22 14 o 20.95937 10.47963 -52.19205  18.72106 -52.19205  18.72106 ?          ?        20.95937 10.47963 ?        ?        ?         ?        
1 1 1 16 22 15 o 31.54255 13.39819 1.134610   14.74993 1.134610   14.74993 ?          ?        31.54255 13.39819 ?        ?        ?         ?        
1 1 1 16 22 16 f 265.5018 7.692217 716.5062   40.84595 716.5062   40.84595 ?          ?        265.5018 7.692217 ?        ?        ?         ?        
1 1 1 16 22 17 o 24.00683 10.97859 -7.374964  11.91340 -7.374964  11.91340 ?          ?        24.00683 10.97859 ?        ?        ?         ?        
1 1 1 16 23 0  o 91.36861 12.13365 87.93227   21.55759 87.93227   21.55759 87.93227   21.55759 91.36861 12.13365 91.36861 12.13365 -0.000000 0.000000 
1 1 1 16 23 1  o 104.8451 8.116332 110.0572   17.01915 110.0572   17.01915 ?          ?        104.8451 8.116332 ?        ?        ?         ?        
1 1 1 16 23 2  o 396.8513 8.362664 1577.108   66.37468 1577.108   66.37468 ?          ?        396.8513 8.362664 ?        ?        ?         ?        
1 1 1 16 23 3  o 214.5480 5.817210 460.6516   24.96142 460.6516   24.96142 ?          ?        214.5480 5.817210 ?        ?        ?         ?        
1 1 1 16 23 4  o 165.9890 5.810136 275.7102   19.28837 275.7102   19.28837 ?          ?        165.9890 5.810136 ?        ?        ?         ?        
1 1 1 16 23 5  f 417.5862 10.93620 1748.434   91.33610 1748.434   91.33610 ?          ?        417.5862 10.93620 ?        ?        ?         ?        
1 1 1 16 23 6  f 488.1052 12.78486 2392.325   124.8071 2392.325   124.8071 ?          ?        488.1052 12.78486 ?        ?        ?         ?        
1 1 1 16 23 7  o 114.3861 7.191366 131.0475   16.45185 131.0475   16.45185 ?          ?        114.3861 7.191366 ?        ?        ?         ?        
1 1 1 16 23 8  o 415.9216 10.36618 1735.953   86.23035 1735.953   86.23035 ?          ?        415.9216 10.36618 ?        ?        ?         ?        
1 1 1 16 23 9  o 280.0303 7.394426 785.7174   41.41326 785.7174   41.41326 ?          ?        280.0303 7.394426 ?        ?        ?         ?        
1 1 1 16 23 10 o 261.5863 7.048310 685.8717   36.87482 685.8717   36.87482 ?          ?        261.5863 7.048310 ?        ?        ?         ?        
1 1 1 16 23 11 o 80.07481 12.39820 64.67276   19.85567 64.67276   19.85567 ?          ?        80.07481 12.39820 ?        ?        ?         ?        
1 1 1 16 23 12 o 273.1863 8.514154 750.5444   46.51900 750.5444   46.51900 ?          ?        273.1863 8.514154 ?        ?        ?         ?        
1 1 1 16 23 13 o 351.8714 10.80208 1256.013   76.01886 1256.013   76.01886 ?          ?        351.8714 10.80208 ?        ?        ?         ?        
1 1 1 16 23 14 o 317.4323 9.293276 1021.716   58.99971 1021.716   58.99971 ?          ?        317.4323 9.293276 ?        ?        ?         ?        
1 1 1 16 23 15 o 251.7243 7.437131 641.6219   37.44213 641.6219   37.44213 ?          ?        251.7243 7.437131 ?        ?        ?         ?        
1 1 1 16 23 16 o 236.4286 8.278196 569.5742   39.14404 569.5742   39.14404 ?          ?        236.4286 8.278196 ?        ?        ?         ?        
1 1 1 16 23 17 o 34.08268 13.05467 9.076880   12.48071 9.076880   12.48071 ?          ?        34.08268 13.05467 ?        ?        ?         ?        
1 1 1 16 24 0  o 73.44479 14.26038 59.56702   18.72106 59.56702   18.72106 59.56702   18.72106 73.44479 14.26038 73.44479 14.26038 -0.000000 0.000000 
1 1 1 16 24 1  o 430.1462 9.100172 1853.385   78.28809 1853.385   78.28809 ?          ?        430.1462 9.100172 ?        ?        ?         ?        
1 1 1 16 24 2  f 138.4046 6.763163 191.7491   18.72106 191.7491   18.72106 ?          ?        138.4046 6.763163 ?        ?        ?         ?        
1 1 1 16 24 3  o 304.2148 6.899825 926.4091   41.98057 926.4091   41.98057 ?          ?        304.2148 6.899825 ?        ?        ?         ?        
1 1 1 16 24 4  o 478.4326 12.80618 2296.450   122.5379 2296.450   122.5379 ?          ?        478.4326 12.80618 ?        ?        ?         ?        
1 1 1 16 24 5  o 340.4189 9.332350 1161.273   63.53815 1161.273   63.53815 ?          ?        340.4189 9.332350 ?        ?        ?         ?        
1 1 1 16 24 6  o 277.4467 7.667756 770.9675   42.54787 770.9675   42.54787 ?          ?        277.4467 7.667756 ?        ?        ?         ?        
1 1 1 16 24 7  o 546.2969 14.12299 3002.178   154.3070 3002.178   154.3070 ?          ?        546.2969 14.12299 ?        ?        ?         ?        
1 1 1 16 24 8  o 103.6540 9.577866 107.7879   19.85567 107.7879   19.85567 ?          ?        103.6540 9.577866 ?        ?        ?         ?        
1 1 1 16 24 9  o 59.78925 15.15488 37.44213   18.15376 37.44213   18.15376 ?          ?        59.78925 15.15488 ?        ?        ?         ?        
1 1 1 16 24 10 o 64.86945 15.85391 44.24979   20.42298 44.24979   20.42298 ?          ?        64.86945 15.85391 ?        ?        ?         ?        
1 1 1 16 24 11 f 132.1112 8.373588 175.2972   22.12490 175.2972   22.12490 ?          ?        132.1112 8.373588 ?        ?        ?         ?        
1 1 1 16 24 12 o 119.1775 8.568300 142.9609   20.42298 142.9609   20.42298 ?          ?        119.1775 8.568300 ?        ?        ?         ?        
1 1 1 16 24 13 o 67.52789 15.80539 48.78823   20.99029 48.78823   20.99029 ?          ?        67.52789 15.80539 ?        ?        ?         ?        
1 1 1 16 24 14 o 151.7258 6.917177 232.0277   20.99029 232.0277   20.99029 ?          ?        151.7258 6.917177 ?        ?        ?         ?        
1 1 1 16 24 15 o 123.6075 7.802264 154.8743   19.28837 154.8743   19.28837 ?          ?        123.6075 7.802264 ?        ?        ?         ?        
1 1 1 16 24 16 o 264.3105 8.585432 713.1024   45.38440 713.1024   45.38440 ?          ?        264.3105 8.585432 ?        ?        ?         ?        
1 1 1 16 24 17 o 42.43323 12.89765 19.28837   11.91340 19.28837   11.91340 ?          ?        42.43323 12.89765 ?        ?        ?         ?        
1 1 1 16 25 0  o 434.5555 12.68705 1896.500   110.0572 1896.500   110.0572 1896.500   110.0572 434.5555 12.68705 434.5555 12.68705 -0.000000 0.000000 
1 1 1 16 25 1  o 428.8803 8.928619 1842.606   76.58617 1842.606   76.58617 ?          ?        428.8803 8.928619 ?        ?        ?         ?        
1 1 1 16 25 2  o 495.7800 10.92776 2464.373   108.3553 2464.373   108.3553 ?          ?        495.7800 10.92776 ?        ?        ?         ?        
1 1 1 16 25 3  o 407.0513 8.640903 1659.367   70.34581 1659.367   70.34581 ?          ?        407.0513 8.640903 ?        ?        ?         ?        
1 1 1 16 25 4  o 210.4869 7.816089 443.6324   32.90369 443.6324   32.90369 ?          ?        210.4869 7.816089 ?        ?        ?         ?        
1 1 1 16 25 5  o 418.4624 10.98108 1756.376   91.90340 1756.376   91.90340 ?          ?        418.4624 10.98108 ?        ?        ?         ?        
1 1 1 16 25 6  f 167.3000 6.612340 280.2487   22.12490 280.2487   22.12490 ?          ?        167.3000 6.612340 ?        ?        ?         ?        
1 1 1 16 25 7  o 475.0069 11.52508 2265.249   109.4899 2265.249   109.4899 ?          ?        475.0069 11.52508 ?        ?        ?         ?        
1 1 1 16 25 8  o 77.71241 11.68009 60.70163   18.15376 60.70163   18.15376 ?          ?        77.71241 11.68009 ?        ?        ?         ?        
1 1 1 16 25 9  o 412.8352 11.13076 1712.126   91.90340 1712.126   91.90340 ?          ?        412.8352 11.13076 ?        ?        ?         ?        
1 1 1 16 25 10 f 307.8523 7.739689 950.2358   47.65361 950.2358   47.65361 ?          ?        307.8523 7.739689 ?        ?        ?         ?        
1 1 1 16 25 11 o 170.8062 6.974806 292.7294   23.82681 292.7294   23.82681 ?          ?        170.8062 6.974806 ?        ?        ?         ?        
1 1 1 16 25 12 o 176.7473 6.900844 313.7196   24.39412 313.7196   24.39412 ?          ?        176.7473 6.900844 ?        ?        ?         ?        
1 1 1 16 25 13 o 215.2578 7.774630 466.8920   33.47099 466.8920   33.47099 ?          ?        215.2578 7.774630 ?        ?        ?         ?        
1 1 1 16 25 14 o 200.5023 7.922371 406.1903   31.76908 406.1903   31.76908 ?          ?        200.5023 7.922371 ?        ?        ?         ?        
1 1 1 16 25 15 o 151.9240 7.281566 233.7296   22.12490 233.7296   22.12490 ?          ?        151.9240 7.281566 ?        ?        ?         ?        
1 1 1 16 25 16 o 61.20433 13.34663 40.84595   15.88454 40.84595   15.88454 ?          ?        61.20433 13.34663 ?        ?        ?         ?        
1 1 1 16 26 0  o 59.14874 20.69804 45.95170   22.12490 45.95170   22.12490 45.95170   22.12490 59.14874 20.69804 59.14874 20.69804 -0.000000 0.000000 
1 1 1 16 26 1  o 606.8984 13.27361 3697.127   161.1146 3697.127   161.1146 ?          ?        606.8984 13.27361 ?        ?        ?         ?        
1 1 1 16 26 2  o 696.0206 13.97844 4863.506   194.5856 4863.506   194.5856 ?          ?        696.0206 13.97844 ?        ?        ?         ?        
1 1 1 16 26 3  o 196.7623 6.343039 387.4693   24.96142 387.4693   24.96142 ?          ?        196.7623 6.343039 ?        ?        ?         ?        
1 1 1 16 26 4  o 282.0379 7.442362 796.4961   41.98057 796.4961   41.98057 ?          ?        282.0379 7.442362 ?        ?        ?         ?        
1 1 1 16 26 5  o 105.8657 9.377769 112.3264   19.85567 112.3264   19.85567 ?          ?        105.8657 9.377769 ?        ?        ?         ?        
1 1 1 16 26 6  o 534.5315 12.89495 2871.698   137.8551 2871.698   137.8551 ?          ?        534.5315 12.89495 ?        ?        ?         ?        
1 1 1 16 26 7  o 456.4228 11.06214 2091.086   100.9803 2091.086   100.9803 ?          ?        456.4228 11.06214 ?        ?        ?         ?        
1 1 1 16 26 8  o 321.5603 7.939015 1036.466   51.05745 1036.466   51.05745 ?          ?        321.5603 7.939015 ?        ?        ?         ?        
1 1 1 16 26 9  o 124.8921 9.766077 156.5762   24.39412 156.5762   24.39412 ?          ?        124.8921 9.766077 ?        ?        ?         ?        
1 1 1 16 26 10 o 396.8220 9.435496 1581.646   74.88425 1581.646   74.88425 ?          ?        396.8220 9.435496 ?        ?        ?         ?        
1 1 1 16 26 11 o 159.0821 7.845450 254.1526   24.96142 254.1526   24.96142 ?          ?        159.0821 7.845450 ?        ?        ?         ?        
1 1 1 16 26 12 o 186.3939 6.848057 348.8925   25.52872 348.8925   25.52872 ?          ?        186.3939 6.848057 ?        ?        ?         ?        
1 1 1 16 26 13 o 63.08763 14.65508 42.54787   18.15376 42.54787   18.15376 ?          ?        63.08763 14.65508 ?        ?        ?         ?        
1 1 1 16 26 14 o 181.8911 7.017586 333.5753   25.52872 333.5753   25.52872 ?          ?        181.8911 7.017586 ?        ?        ?         ?        
1 1 1 16 26 15 o 28.79905 13.08794 -8.509575  16.45185 -8.509575  16.45185 ?          ?        28.79905 13.08794 ?        ?        ?         ?        
1 1 1 16 26 16 o 19.03162 9.469123 -34.60560  14.18262 -34.60560  14.18262 ?          ?        19.03162 9.469123 ?        ?        ?         ?        
1 1 1 16 27 0  o 203.9482 8.938133 418.6711   36.30752 418.6711   36.30752 418.6711   36.30752 203.9482 8.938133 203.9482 8.938133 -0.000000 0.000000 
1 1 1 16 27 1  o 477.1139 12.48486 2283.403   119.1340 2283.403   119.1340 ?          ?        477.1139 12.48486 ?        ?        ?         ?        
1 1 1 16 27 2  o 234.1258 6.300002 548.5839   29.49986 548.5839   29.49986 ?          ?        234.1258 6.300002 ?        ?        ?         ?        
1 1 1 16 27 3  o 369.5999 8.672277 1368.340   64.10546 1368.340   64.10546 ?          ?        369.5999 8.672277 ?        ?        ?         ?        
1 1 1 16 27 4  o 380.9422 8.860831 1454.002   67.50929 1454.002   67.50929 ?          ?        380.9422 8.860831 ?        ?        ?         ?        
1 1 1 16 27 5  o 225.8913 7.910931 511.1418   35.74022 511.1418   35.74022 ?          ?        225.8913 7.910931 ?        ?        ?         ?        
1 1 1 16 27 6  o 266.3324 8.413751 710.8331   44.81709 710.8331   44.81709 ?          ?        266.3324 8.413751 ?        ?        ?         ?        
1 1 1 16 27 7  o 376.6943 10.24086 1423.935   77.15348 1423.935   77.15348 ?          ?        376.6943 10.24086 ?        ?        ?         ?        
1 1 1 16 27 8  o 364.9827 10.18089 1337.138   74.31695 1337.138   74.31695 ?          ?        364.9827 10.18089 ?        ?        ?         ?        
1 1 1 16 27 9  o 92.83759 12.52699 86.79766   23.25950 86.79766   23.25950 ?          ?        92.83759 12.52699 ?        ?        ?         ?        
1 1 1 16 27 10 o 72.18217 14.26141 54.46128   19.85567 54.46128   19.85567 ?          ?        72.18217 14.26141 ?        ?        ?         ?        
1 1 1 16 27 11 o 108.0188 9.716037 117.4321   20.99029 117.4321   20.99029 ?          ?        108.0188 9.716037 ?        ?        ?         ?        
1 1 1 16 27 12 o 241.6278 7.278325 587.1606   35.17290 587.1606   35.17290 ?          ?        241.6278 7.278325 ?        ?        ?         ?        
1 1 1 16 27 13 o 154.2054 7.909619 239.9700   24.39412 239.9700   24.39412 ?          ?        154.2054 7.909619 ?        ?        ?         ?        
1 1 1 16 27 14 o 100.8547 9.281201 103.2495   18.72106 103.2495   18.72106 ?          ?        100.8547 9.281201 ?        ?        ?         ?        
1 1 1 16 27 15 o 113.9318 8.464877 132.1821   19.28837 132.1821   19.28837 ?          ?        113.9318 8.464877 ?        ?        ?         ?        
1 1 1 16 27 16 o 38.50895 14.73416 11.91340   15.88454 11.91340   15.88454 ?          ?        38.50895 14.73416 ?        ?        ?         ?        
1 1 1 16 28 0  o 70.12148 19.65198 59.56702   23.82681 59.56702   23.82681 59.56702   23.82681 70.12148 19.65198 70.12148 19.65198 -0.000000 0.000000 
1 1 1 16 28 1  o 102.0909 8.613138 104.3841   17.58645 104.3841   17.58645 ?          ?        102.0909 8.613138 ?        ?        ?         ?        
1 1 1 16 28 2  o 1074.268 23.42057 11680.24   503.1995 11680.24   503.1995 ?          ?        1074.268 23.42057 ?        ?        ?         ?        
1 1 1 16 28 3  o 195.5759 6.816618 382.9308   26.66333 382.9308   26.66333 ?          ?        195.5759 6.816618 ?        ?        ?         ?        
1 1 1 16 28 4  o 88.02525 10.95616 77.72078   19.28837 77.72078   19.28837 ?          ?        88.02525 10.95616 ?        ?        ?         ?        
1 1 1 16 28 5  o 209.7898 7.166021 440.7959   30.06716 440.7959   30.06716 ?          ?        209.7898 7.166021 ?        ?        ?         ?        
1 1 1 16 28 6  o 115.0894 8.626195 132.7494   19.85567 132.7494   19.85567 ?          ?        115.0894 8.626195 ?        ?        ?         ?        
1 1 1 16 28 7  o 201.7893 6.887865 407.8922   27.79794 407.8922   27.79794 ?          ?        201.7893 6.887865 ?        ?        ?         ?        
1 1 1 16 28 8  f 427.1584 10.49191 1831.828   89.63419 1831.828   89.63419 ?          ?        427.1584 10.49191 ?        ?        ?         ?        
1 1 1 16 28 9  o 320.7529 8.047433 1031.928   51.62476 1031.928   51.62476 ?          ?        320.7529 8.047433 ?        ?        ?         ?        
1 1 1 16 28 10 o 273.8586 7.353913 752.2464   40.27865 752.2464   40.27865 ?          ?        273.8586 7.353913 ?        ?        ?         ?        
1 1 1 16 28 11 f 256.1621 7.197556 658.6411   36.87482 658.6411   36.87482 ?          ?        256.1621 7.197556 ?        ?        ?         ?        
1 1 1 16 28 12 o 214.1320 6.888240 461.2190   29.49986 461.2190   29.49986 ?          ?        214.1320 6.888240 ?        ?        ?         ?        
1 1 1 16 28 13 o 144.4476 7.658448 210.4701   22.12490 210.4701   22.12490 ?          ?        144.4476 7.658448 ?        ?        ?         ?        
1 1 1 16 28 14 o 274.6775 7.951595 763.5925   43.68248 763.5925   43.68248 ?          ?        274.6775 7.951595 ?        ?        ?         ?        
1 1 1 16 28 15 o 118.5383 8.375216 142.9609   19.85567 142.9609   19.85567 ?          ?        118.5383 8.375216 ?        ?        ?         ?        
1 1 1 16 28 16 o 93.83342 8.766517 90.20149   16.45185 90.20149   16.45185 ?          ?        93.83342 8.766517 ?        ?        ?         ?        
1 1 1 16 29 0  o 391.4320 13.07576 1540.233   102.1149 1540.233   102.1149 1540.233   102.1149 391.4320 13.07576 391.4320 13.07576 -0.000000 0.000000 
1 1 1 16 29 1  o 511.1249 11.48762 2620.382   117.4321 2620.382   117.4321 ?          ?        511.1249 11.48762 ?        ?        ?         ?        
1 1 1 16 29 2  o 373.5971 8.883190 1398.407   66.37468 1398.407   66.37468 ?          ?        373.5971 8.883190 ?        ?        ?         ?        
1 1 1 16 29 3  o 546.9111 12.13628 3002.178   132.7494 3002.178   132.7494 ?          ?        546.9111 12.13628 ?        ?        ?         ?        
1 1 1 16 29 4  o 453.1704 11.01635 2060.452   99.84568 2060.452   99.84568 ?          ?        453.1704 11.01635 ?        ?        ?         ?        
1 1 1 16 29 5  o 475.4793 12.82607 2272.057   121.9706 2272.057   121.9706 ?          ?        475.4793 12.82607 ?        ?        ?         ?        
1 1 1 16 29 6  o 213.0846 8.120154 454.9786   34.60560 454.9786   34.60560 ?          ?        213.0846 8.120154 ?        ?        ?         ?        
1 1 1 16 29 7  o 148.2138 7.272463 220.1143   21.55759 220.1143   21.55759 ?          ?        148.2138 7.272463 ?        ?        ?         ?        
1 1 1 16 29 8  o 98.01817 10.12857 96.44185   19.85567 96.44185   19.85567 ?          ?        98.01817 10.12857 ?        ?        ?         ?        
1 1 1 16 29 9  o 250.5482 7.132401 629.1412   35.74022 629.1412   35.74022 ?          ?        250.5482 7.132401 ?        ?        ?         ?        
1 1 1 16 29 10 o 377.4330 9.018370 1431.878   68.07660 1431.878   68.07660 ?          ?        377.4330 9.018370 ?        ?        ?         ?        
1 1 1 16 29 11 o 247.6646 7.215447 616.0932   35.74022 616.0932   35.74022 ?          ?        247.6646 7.215447 ?        ?        ?         ?        
1 1 1 16 29 12 f 97.83661 10.43729 97.00916   20.42298 97.00916   20.42298 ?          ?        97.83661 10.43729 ?        ?        ?         ?        
1 1 1 16 29 13 o 223.4308 7.109379 503.1995   31.76908 503.1995   31.76908 ?          ?        223.4308 7.109379 ?        ?        ?         ?        
1 1 1 16 29 14 o 233.3896 7.535234 551.4204   35.17290 551.4204   35.17290 ?          ?        233.3896 7.535234 ?        ?        ?         ?        
1 1 1 16 29 15 o 173.8143 7.180487 306.3447   24.96142 306.3447   24.96142 ?          ?        173.8143 7.180487 ?        ?        ?         ?        
1 1 1 16 29 16 o 92.70264 9.485411 88.49958   17.58645 88.49958   17.58645 ?          ?        92.70264 9.485411 ?        ?        ?         ?        
1 1 1 16 30 0  o 323.0246 11.35839 1048.947   73.18234 1048.947   73.18234 1048.947   73.18234 323.0246 11.35839 323.0246 11.35839 -0.000000 0.000000 
1 1 1 16 30 1  o 121.7981 8.849726 148.6339   21.55759 148.6339   21.55759 ?          ?        121.7981 8.849726 ?        ?        ?         ?        
1 1 1 16 30 2  o 201.1492 6.627750 405.0558   26.66333 405.0558   26.66333 ?          ?        201.1492 6.627750 ?        ?        ?         ?        
1 1 1 16 30 3  o 217.3953 6.523888 473.1324   28.36525 473.1324   28.36525 ?          ?        217.3953 6.523888 ?        ?        ?         ?        
1 1 1 16 30 4  o 363.7744 8.733183 1326.359   63.53815 1326.359   63.53815 ?          ?        363.7744 8.733183 ?        ?        ?         ?        
1 1 1 16 30 5  o 254.5101 9.696184 649.5642   49.35553 649.5642   49.35553 ?          ?        254.5101 9.696184 ?        ?        ?         ?        
1 1 1 16 30 6  o 166.9234 7.137049 279.1140   23.82681 279.1140   23.82681 ?          ?        166.9234 7.137049 ?        ?        ?         ?        
1 1 1 16 30 7  o 36.48034 15.39982 1.134610   19.28837 1.134610   19.28837 ?          ?        36.48034 15.39982 ?        ?        ?         ?        
1 1 1 16 30 8  o 45.99769 16.69443 17.58645   19.85567 17.58645   19.85567 ?          ?        45.99769 16.69443 ?        ?        ?         ?        
1 1 1 16 30 9  o 312.7998 8.705454 982.0049   54.46128 982.0049   54.46128 ?          ?        312.7998 8.705454 ?        ?        ?         ?        
1 1 1 16 30 10 o 107.5765 11.86538 116.8648   25.52872 116.8648   25.52872 ?          ?        107.5765 11.86538 ?        ?        ?         ?        
1 1 1 16 30 11 o 211.1226 6.852074 447.6036   28.93255 447.6036   28.93255 ?          ?        211.1226 6.852074 ?        ?        ?         ?        
1 1 1 16 30 12 o 146.0392 8.157673 215.0086   23.82681 215.0086   23.82681 ?          ?        146.0392 8.157673 ?        ?        ?         ?        
1 1 1 16 30 13 o 116.0637 8.064996 136.1532   18.72106 136.1532   18.72106 ?          ?        116.0637 8.064996 ?        ?        ?         ?        
1 1 1 16 30 14 o 128.0109 8.863383 166.7877   22.69220 166.7877   22.69220 ?          ?        128.0109 8.863383 ?        ?        ?         ?        
1 1 1 16 30 15 o 59.50056 15.55722 39.14404   18.72106 39.14404   18.72106 ?          ?        59.50056 15.55722 ?        ?        ?         ?        
1 1 1 16 30 16 o 167.6139 7.107647 285.9217   23.82681 285.9217   23.82681 ?          ?        167.6139 7.107647 ?        ?        ?         ?        
1 1 1 16 31 0  o 191.8055 9.514486 371.0175   36.30752 371.0175   36.30752 371.0175   36.30752 191.8055 9.514486 191.8055 9.514486 -0.000000 0.000000 
1 1 1 16 31 1  o 93.96339 9.660018 88.49958   18.15376 88.49958   18.15376 ?          ?        93.96339 9.660018 ?        ?        ?         ?        
1 1 1 16 31 2  o 679.9186 14.89354 4649.631   202.5279 4649.631   202.5279 ?          ?        679.9186 14.89354 ?        ?        ?         ?        
1 1 1 16 31 3  o 154.2497 6.987888 238.2681   21.55759 238.2681   21.55759 ?          ?        154.2497 6.987888 ?        ?        ?         ?        
1 1 1 16 31 4  f 322.0774 7.926271 1039.303   51.05745 1039.303   51.05745 ?          ?        322.0774 7.926271 ?        ?        ?         ?        
1 1 1 16 31 5  o 532.0281 13.70204 2846.736   145.7974 2846.736   145.7974 ?          ?        532.0281 13.70204 ?        ?        ?         ?        
1 1 1 16 31 6  o 385.5599 9.931812 1492.012   76.58617 1492.012   76.58617 ?          ?        385.5599 9.931812 ?        ?        ?         ?        
1 1 1 16 31 7  o 276.0229 7.912835 763.5925   43.68248 763.5925   43.68248 ?          ?        276.0229 7.912835 ?        ?        ?         ?        
1 1 1 16 31 8  o 312.2709 7.993514 978.0337   49.92284 978.0337   49.92284 ?          ?        312.2709 7.993514 ?        ?        ?         ?        
1 1 1 16 31 9  o 252.7128 7.295795 640.4873   36.87482 640.4873   36.87482 ?          ?        252.7128 7.295795 ?        ?        ?         ?        
1 1 1 16 31 10 o 273.0692 9.764316 750.5444   53.32666 750.5444   53.32666 ?          ?        273.0692 9.764316 ?        ?        ?         ?        
1 1 1 16 31 11 f 107.3558 10.04026 116.2975   21.55759 116.2975   21.55759 ?          ?        107.3558 10.04026 ?        ?        ?         ?        
1 1 1 16 31 12 o 71.03992 13.66398 53.32666   18.72106 53.32666   18.72106 ?          ?        71.03992 13.66398 ?        ?        ?         ?        
1 1 1 16 31 13 o 228.4680 7.200940 526.4590   32.90369 526.4590   32.90369 ?          ?        228.4680 7.200940 ?        ?        ?         ?        
1 1 1 16 31 14 o 231.7797 7.465193 544.0455   34.60560 544.0455   34.60560 ?          ?        231.7797 7.465193 ?        ?        ?         ?        
1 1 1 16 31 15 o 179.0597 7.445375 325.6331   26.66333 325.6331   26.66333 ?          ?        179.0597 7.445375 ?        ?        ?         ?        
1 1 1 16 31 16 o 50.11784 16.31199 27.23064   18.72106 27.23064   18.72106 ?          ?        50.11784 16.31199 ?        ?        ?         ?        
1 1 1 16 32 0  o 56.00462 23.10327 44.24979   25.52872 44.24979   25.52872 44.24979   25.52872 56.00462 23.10327 56.00462 23.10327 -0.000000 0.000000 
1 1 1 16 32 1  o 381.1373 8.781873 1455.704   66.94199 1455.704   66.94199 ?          ?        381.1373 8.781873 ?        ?        ?         ?        
1 1 1 16 32 2  o 470.6143 10.66829 2222.134   100.4130 2222.134   100.4130 ?          ?        470.6143 10.66829 ?        ?        ?         ?        
1 1 1 16 32 3  f 176.1844 7.083889 310.8831   24.96142 310.8831   24.96142 ?          ?        176.1844 7.083889 ?        ?        ?         ?        
1 1 1 16 32 4  o 148.0419 7.664113 219.5470   22.69220 219.5470   22.69220 ?          ?        148.0419 7.664113 ?        ?        ?         ?        
1 1 1 16 32 5  o 370.4329 10.10767 1376.849   74.88425 1376.849   74.88425 ?          ?        370.4329 10.10767 ?        ?        ?         ?        
1 1 1 16 32 6  f 202.8742 7.410297 412.4307   30.06716 412.4307   30.06716 ?          ?        202.8742 7.410297 ?        ?        ?         ?        
1 1 1 16 32 7  o 149.9064 7.758009 225.2201   23.25950 225.2201   23.25950 ?          ?        149.9064 7.758009 ?        ?        ?         ?        
1 1 1 16 32 8  o 138.6640 8.386999 192.8837   23.25950 192.8837   23.25950 ?          ?        138.6640 8.386999 ?        ?        ?         ?        
1 1 1 16 32 9  o 161.8458 7.010437 262.6622   22.69220 262.6622   22.69220 ?          ?        161.8458 7.010437 ?        ?        ?         ?        
1 1 1 16 32 10 o 76.91974 16.01657 62.40355   23.82681 62.40355   23.82681 ?          ?        76.91974 16.01657 ?        ?        ?         ?        
1 1 1 16 32 11 o 37.72140 15.75824 3.403830   19.85567 3.403830   19.85567 ?          ?        37.72140 15.75824 ?        ?        ?         ?        
1 1 1 16 32 12 o 168.2831 7.247940 285.3544   24.39412 285.3544   24.39412 ?          ?        168.2831 7.247940 ?        ?        ?         ?        
1 1 1 16 32 13 o 189.4228 7.187793 361.9406   27.23064 361.9406   27.23064 ?          ?        189.4228 7.187793 ?        ?        ?         ?        
1 1 1 16 32 14 o 129.5070 8.322942 170.7588   21.55759 170.7588   21.55759 ?          ?        129.5070 8.322942 ?        ?        ?         ?        
1 1 1 16 32 15 o 40.85932 16.39808 10.77879   20.42298 10.77879   20.42298 ?          ?        40.85932 16.39808 ?        ?        ?         ?        
1 1 1 16 33 0  o 166.7410 9.940088 281.3832   32.90369 281.3832   32.90369 281.3832   32.90369 166.7410 9.940088 166.7410 9.940088 -0.000000 0.000000 
1 1 1 16 33 1  o 448.7620 10.17645 2020.173   91.33610 2020.173   91.33610 ?          ?        448.7620 10.17645 ?        ?        ?         ?        
1 1 1 16 33 2  o 86.70952 10.79528 75.45156   18.72106 75.45156   18.72106 ?          ?        86.70952 10.79528 ?        ?        ?         ?        
1 1 1 16 33 3  o 186.3286 7.459389 347.7579   27.79794 347.7579   27.79794 ?          ?        186.3286 7.459389 ?        ?        ?         ?        
1 1 1 16 33 4  o 548.9830 14.46724 3033.380   158.8454 3033.380   158.8454 ?          ?        548.9830 14.46724 ?        ?        ?         ?        
1 1 1 16 33 5  o 325.5943 9.583021 1063.697   62.40355 1063.697   62.40355 ?          ?        325.5943 9.583021 ?        ?        ?         ?        
1 1 1 16 33 6  o 264.8371 7.711526 702.8909   40.84595 702.8909   40.84595 ?          ?        264.8371 7.711526 ?        ?        ?         ?        
1 1 1 16 33 7  o 200.7701 7.064112 403.9211   28.36525 403.9211   28.36525 ?          ?        200.7701 7.064112 ?        ?        ?         ?        
1 1 1 16 33 8  o 391.1736 9.354201 1536.262   73.18234 1536.262   73.18234 ?          ?        391.1736 9.354201 ?        ?        ?         ?        
1 1 1 16 33 9  o 109.5978 9.576052 120.8360   20.99029 120.8360   20.99029 ?          ?        109.5978 9.576052 ?        ?        ?         ?        
1 1 1 16 33 10 o 233.5179 6.923749 547.4493   32.33638 547.4493   32.33638 ?          ?        233.5179 6.923749 ?        ?        ?         ?        
1 1 1 16 33 11 o 255.6478 7.433944 658.0737   38.00943 658.0737   38.00943 ?          ?        255.6478 7.433944 ?        ?        ?         ?        
1 1 1 16 33 12 o 171.9391 7.093825 297.8351   24.39412 297.8351   24.39412 ?          ?        171.9391 7.093825 ?        ?        ?         ?        
1 1 1 16 33 13 o 231.0419 6.875177 538.3724   31.76908 538.3724   31.76908 ?          ?        231.0419 6.875177 ?        ?        ?         ?        
1 1 1 16 33 14 o 116.2720 8.782413 137.8551   20.42298 137.8551   20.42298 ?          ?        116.2720 8.782413 ?        ?        ?         ?        
1 1 1 16 33 15 o 109.0869 8.840828 121.9706   19.28837 121.9706   19.28837 ?          ?        109.0869 8.840828 ?        ?        ?         ?        
1 1 1 16 34 0  o 467.5282 15.32516 2200.576   142.9609 2200.576   142.9609 2200.576   142.9609 467.5282 15.32516 467.5282 15.32516 -0.000000 0.000000 
1 1 1 16 34 1  o 398.1998 9.117915 1589.589   72.61504 1589.589   72.61504 ?          ?        398.1998 9.117915 ?        ?        ?         ?        
1 1 1 16 34 2  o 125.4525 8.365830 157.7108   20.99029 157.7108   20.99029 ?          ?        125.4525 8.365830 ?        ?        ?         ?        
1 1 1 16 34 3  f 388.6200 9.196700 1514.137   71.48043 1514.137   71.48043 ?          ?        388.6200 9.196700 ?        ?        ?         ?        
1 1 1 16 34 4  o 304.8806 7.908164 931.5147   48.22092 931.5147   48.22092 ?          ?        304.8806 7.908164 ?        ?        ?         ?        
1 1 1 16 34 5  o 371.5496 9.084830 1384.792   67.50929 1384.792   67.50929 ?          ?        371.5496 9.084830 ?        ?        ?         ?        
1 1 1 16 34 6  o 329.3269 8.699230 1087.524   57.29780 1087.524   57.29780 ?          ?        329.3269 8.699230 ?        ?        ?         ?        
1 1 1 16 34 7  o 223.4136 7.236888 500.3629   32.33638 500.3629   32.33638 ?          ?        223.4136 7.236888 ?        ?        ?         ?        
1 1 1 16 34 8  o 121.8791 9.076573 149.2012   22.12490 149.2012   22.12490 ?          ?        121.8791 9.076573 ?        ?        ?         ?        
1 1 1 16 34 9  o 68.64028 16.67182 49.92284   22.69220 49.92284   22.69220 ?          ?        68.64028 16.67182 ?        ?        ?         ?        
1 1 1 16 34 10 o 43.61533 16.53565 14.18262   19.85567 14.18262   19.85567 ?          ?        43.61533 16.53565 ?        ?        ?         ?        
1 1 1 16 34 11 o 291.1726 7.598549 853.7939   44.24979 853.7939   44.24979 ?          ?        291.1726 7.598549 ?        ?        ?         ?        
1 1 1 16 34 12 o 70.52573 14.93595 53.32666   20.42298 53.32666   20.42298 ?          ?        70.52573 14.93595 ?        ?        ?         ?        
1 1 1 16 34 13 o 20.37807 10.25396 -55.59589  18.72106 -55.59589  18.72106 ?          ?        20.37807 10.25396 ?        ?        ?         ?        
1 1 1 16 34 14 o 135.7050 7.315750 186.6433   19.85567 186.6433   19.85567 ?          ?        135.7050 7.315750 ?        ?        ?         ?        
1 1 1 16 34 15 o 63.98706 14.89423 45.38440   18.72106 45.38440   18.72106 ?          ?        63.98706 14.89423 ?        ?        ?         ?        
1 1 1 16 35 0  o 21.50303 15.48338 -40.27865  28.93255 -40.27865  28.93255 -40.27865  28.93255 21.50303 15.48338 21.50303 15.48338 -0.000000 0.000000 
1 1 1 16 35 1  o 277.8474 7.350430 773.2368   40.84595 773.2368   40.84595 ?          ?        277.8474 7.350430 ?        ?        ?         ?        
1 1 1 16 35 2  o 86.35122 11.82553 74.88425   20.42298 74.88425   20.42298 ?          ?        86.35122 11.82553 ?        ?        ?         ?        
1 1 1 16 35 3  o 268.1932 7.086204 720.4773   38.00943 720.4773   38.00943 ?          ?        268.1932 7.086204 ?        ?        ?         ?        
1 1 1 16 35 4  o 107.3742 10.03853 115.7302   21.55759 115.7302   21.55759 ?          ?        107.3742 10.03853 ?        ?        ?         ?        
1 1 1 16 35 5  o 435.4798 11.91982 1906.145   103.8168 1906.145   103.8168 ?          ?        435.4798 11.91982 ?        ?        ?         ?        
1 1 1 16 35 6  o 303.1614 7.859445 921.3032   47.65361 921.3032   47.65361 ?          ?        303.1614 7.859445 ?        ?        ?         ?        
1 1 1 16 35 7  o 119.0908 9.527269 142.3935   22.69220 142.3935   22.69220 ?          ?        119.0908 9.527269 ?        ?        ?         ?        
1 1 1 16 35 8  o 232.1478 7.575541 540.6417   35.17290 540.6417   35.17290 ?          ?        232.1478 7.575541 ?        ?        ?         ?        
1 1 1 16 35 9  o 137.9815 7.811767 191.1818   21.55759 191.1818   21.55759 ?          ?        137.9815 7.811767 ?        ?        ?         ?        
1 1 1 16 35 10 o 89.25462 11.12305 80.55730   19.85567 80.55730   19.85567 ?          ?        89.25462 11.12305 ?        ?        ?         ?        
1 1 1 16 35 11 o 122.0391 8.599817 150.3358   20.99029 150.3358   20.99029 ?          ?        122.0391 8.599817 ?        ?        ?         ?        
1 1 1 16 35 12 o 222.3710 7.143260 498.6611   31.76908 498.6611   31.76908 ?          ?        222.3710 7.143260 ?        ?        ?         ?        
1 1 1 16 35 13 o 159.9612 7.625012 259.2584   24.39412 259.2584   24.39412 ?          ?        159.9612 7.625012 ?        ?        ?         ?        
1 1 1 16 35 14 o 37.74704 15.49032 6.807660   18.72106 6.807660   18.72106 ?          ?        37.74704 15.49032 ?        ?        ?         ?        
1 1 1 16 35 15 o 59.92291 15.84842 40.27865   19.28837 40.27865   19.28837 ?          ?        59.92291 15.84842 ?        ?        ?         ?        
1 1 1 16 36 0  o 29.60505 19.71017 -6.240355  30.06716 -6.240355  30.06716 -6.240355  30.06716 29.60505 19.71017 29.60505 19.71017 -0.000000 0.000000 
1 1 1 16 36 1  o 196.9867 6.767799 388.6039   26.66333 388.6039   26.66333 ?          ?        196.9867 6.767799 ?        ?        ?         ?        
1 1 1 16 36 2  o 233.5381 7.044608 546.3147   32.90369 546.3147   32.90369 ?          ?        233.5381 7.044608 ?        ?        ?         ?        
1 1 1 16 36 3  o 228.4763 7.324828 523.0552   33.47099 523.0552   33.47099 ?          ?        228.4763 7.324828 ?        ?        ?         ?        
1 1 1 16 36 4  o 348.5567 9.684118 1219.138   67.50929 1219.138   67.50929 ?          ?        348.5567 9.684118 ?        ?        ?         ?        
1 1 1 16 36 5  o 180.7228 7.847721 327.3350   28.36525 327.3350   28.36525 ?          ?        180.7228 7.847721 ?        ?        ?         ?        
1 1 1 16 36 6  o 116.4442 9.500216 136.1532   22.12490 136.1532   22.12490 ?          ?        116.4442 9.500216 ?        ?        ?         ?        
1 1 1 16 36 7  o 114.7012 9.891871 132.1821   22.69220 132.1821   22.69220 ?          ?        114.7012 9.891871 ?        ?        ?         ?        
1 1 1 16 36 8  o 197.1628 7.912693 390.3058   31.20177 390.3058   31.20177 ?          ?        197.1628 7.912693 ?        ?        ?         ?        
1 1 1 16 36 9  o 190.6434 8.332069 365.3444   31.76908 365.3444   31.76908 ?          ?        190.6434 8.332069 ?        ?        ?         ?        
1 1 1 16 36 10 f 118.3975 8.145597 141.2589   19.28837 141.2589   19.28837 ?          ?        118.3975 8.145597 ?        ?        ?         ?        
1 1 1 16 36 11 o 68.38313 14.53944 49.92284   19.28837 49.92284   19.28837 ?          ?        68.38313 14.53944 ?        ?        ?         ?        
1 1 1 16 36 12 o 145.8630 7.973067 215.0086   23.25950 215.0086   23.25950 ?          ?        145.8630 7.973067 ?        ?        ?         ?        
1 1 1 16 36 13 o 195.8182 7.242752 388.0366   28.36525 388.0366   28.36525 ?          ?        195.8182 7.242752 ?        ?        ?         ?        
1 1 1 16 36 14 o 66.65540 14.85335 48.78823   19.28837 48.78823   19.28837 ?          ?        66.65540 14.85335 ?        ?        ?         ?        
1 1 1 16 36 15 o 179.4282 7.588172 328.4696   27.23064 328.4696   27.23064 ?          ?        179.4282 7.588172 ?        ?        ?         ?        
1 1 1 16 37 0  f 231.6042 11.69831 541.7762   53.89397 541.7762   53.89397 541.7762   53.89397 231.6042 11.69831 231.6042 11.69831 -0.000000 0.000000 
1 1 1 16 37 1  o 323.5055 7.978962 1048.947   51.62476 1048.947   51.62476 ?          ?        323.5055 7.978962 ?        ?        ?         ?        
1 1 1 16 37 2  o 128.0945 8.414722 164.5184   21.55759 164.5184   21.55759 ?          ?        128.0945 8.414722 ?        ?        ?         ?        
1 1 1 16 37 3  o 271.0641 7.639016 736.3619   41.41326 736.3619   41.41326 ?          ?        271.0641 7.639016 ?        ?        ?         ?        
1 1 1 16 37 4  o 321.4107 9.619507 1036.466   61.83624 1036.466   61.83624 ?          ?        321.4107 9.619507 ?        ?        ?         ?        
1 1 1 16 37 5  o 144.1043 8.070371 208.2009   23.25950 208.2009   23.25950 ?          ?        144.1043 8.070371 ?        ?        ?         ?        
1 1 1 16 37 6  o 187.2834 7.875728 351.7291   29.49986 351.7291   29.49986 ?          ?        187.2834 7.875728 ?        ?        ?         ?        
1 1 1 16 37 7  o 259.3358 7.328226 674.5256   38.00943 674.5256   38.00943 ?          ?        259.3358 7.328226 ?        ?        ?         ?        
1 1 1 16 37 8  o 57.96910 17.56791 34.60560   22.12490 34.60560   22.12490 ?          ?        57.96910 17.56791 ?        ?        ?         ?        
1 1 1 16 37 9  o 273.7728 7.563436 753.3810   41.41326 753.3810   41.41326 ?          ?        273.7728 7.563436 ?        ?        ?         ?        
1 1 1 16 37 10 o 153.1255 7.224433 235.9989   22.12490 235.9989   22.12490 ?          ?        153.1255 7.224433 ?        ?        ?         ?        
1 1 1 16 37 11 o 92.64091 11.02266 87.36497   20.42298 87.36497   20.42298 ?          ?        92.64091 11.02266 ?        ?        ?         ?        
1 1 1 16 37 12 o 281.0124 7.873282 798.1981   44.24979 798.1981   44.24979 ?          ?        281.0124 7.873282 ?        ?        ?         ?        
1 1 1 16 37 13 o 45.63231 15.55289 20.99029   17.01915 20.99029   17.01915 ?          ?        45.63231 15.55289 ?        ?        ?         ?        
1 1 1 16 37 14 o 178.5530 7.307644 323.9312   26.09603 323.9312   26.09603 ?          ?        178.5530 7.307644 ?        ?        ?         ?        
1 1 1 16 37 15 o 23.03069 11.34113 -35.17290  18.15376 -35.17290  18.15376 ?          ?        23.03069 11.34113 ?        ?        ?         ?        
1 1 1 16 38 0  o 283.1186 11.25977 807.2750   63.53815 807.2750   63.53815 807.2750   63.53815 283.1186 11.25977 283.1186 11.25977 -0.000000 0.000000 
1 1 1 16 38 1  o 195.0396 7.562530 381.2289   29.49986 381.2289   29.49986 ?          ?        195.0396 7.562530 ?        ?        ?         ?        
1 1 1 16 38 2  o 382.6444 9.192062 1468.753   70.34581 1468.753   70.34581 ?          ?        382.6444 9.192062 ?        ?        ?         ?        
1 1 1 16 38 3  o 312.0811 8.271049 976.3318   51.62476 976.3318   51.62476 ?          ?        312.0811 8.271049 ?        ?        ?         ?        
1 1 1 16 38 4  o 179.1552 7.599734 321.6619   27.23064 321.6619   27.23064 ?          ?        179.1552 7.599734 ?        ?        ?         ?        
1 1 1 16 38 5  o 455.7735 10.64225 2088.250   97.00916 2088.250   97.00916 ?          ?        455.7735 10.64225 ?        ?        ?         ?        
1 1 1 16 38 6  o 386.9426 9.383181 1503.358   72.61504 1503.358   72.61504 ?          ?        386.9426 9.383181 ?        ?        ?         ?        
1 1 1 16 38 7  o 271.4324 7.524148 739.1984   40.84595 739.1984   40.84595 ?          ?        271.4324 7.524148 ?        ?        ?         ?        
1 1 1 16 38 8  o 242.8277 7.125547 591.6991   34.60560 591.6991   34.60560 ?          ?        242.8277 7.125547 ?        ?        ?         ?        
1 1 1 16 38 9  o 87.95882 11.60940 78.28809   20.42298 78.28809   20.42298 ?          ?        87.95882 11.60940 ?        ?        ?         ?        
1 1 1 16 38 10 o 87.31325 16.51965 81.12460   27.79794 81.12460   27.79794 ?          ?        87.31325 16.51965 ?        ?        ?         ?        
1 1 1 16 38 11 o 181.5171 7.500847 332.4407   27.23064 332.4407   27.23064 ?          ?        181.5171 7.500847 ?        ?        ?         ?        
1 1 1 16 38 12 o 156.3344 7.801905 247.3450   24.39412 247.3450   24.39412 ?          ?        156.3344 7.801905 ?        ?        ?         ?        
1 1 1 16 38 13 o 161.6795 7.368530 264.9314   23.82681 264.9314   23.82681 ?          ?        161.6795 7.368530 ?        ?        ?         ?        
1 1 1 16 38 14 o 114.4273 9.171886 134.4513   20.99029 134.4513   20.99029 ?          ?        114.4273 9.171886 ?        ?        ?         ?        
1 1 1 16 39 0  o 199.1711 10.89216 401.0846   43.11518 401.0846   43.11518 401.0846   43.11518 199.1711 10.89216 199.1711 10.89216 -0.000000 0.000000 
1 1 1 16 39 1  o 268.8522 7.912875 724.4484   42.54787 724.4484   42.54787 ?          ?        268.8522 7.912875 ?        ?        ?         ?        
1 1 1 16 39 2  o 54.61285 17.48142 29.49986   21.55759 29.49986   21.55759 ?          ?        54.61285 17.48142 ?        ?        ?         ?        
1 1 1 16 39 3  o 67.36453 16.17965 47.65361   21.55759 47.65361   21.55759 ?          ?        67.36453 16.17965 ?        ?        ?         ?        
1 1 1 16 39 4  o 213.8218 7.694185 458.3824   32.90369 458.3824   32.90369 ?          ?        213.8218 7.694185 ?        ?        ?         ?        
1 1 1 16 39 5  o 483.0965 11.03851 2346.374   106.6533 2346.374   106.6533 ?          ?        483.0965 11.03851 ?        ?        ?         ?        
1 1 1 16 39 6  o 290.0714 7.725183 844.1498   44.81709 844.1498   44.81709 ?          ?        290.0714 7.725183 ?        ?        ?         ?        
1 1 1 16 39 7  o 69.43046 16.55210 51.05745   22.69220 51.05745   22.69220 ?          ?        69.43046 16.55210 ?        ?        ?         ?        
1 1 1 16 39 8  o 472.3533 11.10942 2252.768   104.9514 2252.768   104.9514 ?          ?        472.3533 11.10942 ?        ?        ?         ?        
1 1 1 16 39 9  o 144.3306 8.254246 209.9028   23.82681 209.9028   23.82681 ?          ?        144.3306 8.254246 ?        ?        ?         ?        
1 1 1 16 39 10 o 111.8086 9.386706 126.5090   20.99029 126.5090   20.99029 ?          ?        111.8086 9.386706 ?        ?        ?         ?        
1 1 1 16 39 11 o 112.9261 9.293818 129.3455   20.99029 129.3455   20.99029 ?          ?        112.9261 9.293818 ?        ?        ?         ?        
1 1 1 16 39 12 o 103.3011 10.70893 109.4899   22.12490 109.4899   22.12490 ?          ?        103.3011 10.70893 ?        ?        ?         ?        
1 1 1 16 39 13 o 141.1663 7.836464 202.5279   22.12490 202.5279   22.12490 ?          ?        141.1663 7.836464 ?        ?        ?         ?        
1 1 1 16 39 14 o 210.6044 7.272989 451.0074   30.63447 451.0074   30.63447 ?          ?        210.6044 7.272989 ?        ?        ?         ?        
1 1 1 16 40 0  o 184.7276 12.24022 346.6233   44.81709 346.6233   44.81709 346.6233   44.81709 184.7276 12.24022 184.7276 12.24022 -0.000000 0.000000 
1 1 1 16 40 1  o 581.7184 13.06798 3404.964   152.0377 3404.964   152.0377 ?          ?        581.7184 13.06798 ?        ?        ?         ?        
1 1 1 16 40 2  o 156.1610 8.355490 244.5084   26.09603 244.5084   26.09603 ?          ?        156.1610 8.355490 ?        ?        ?         ?        
1 1 1 16 40 3  o 114.9518 10.36383 132.7494   23.82681 132.7494   23.82681 ?          ?        114.9518 10.36383 ?        ?        ?         ?        
1 1 1 16 40 4  o 455.2408 10.59240 2083.144   96.44185 2083.144   96.44185 ?          ?        455.2408 10.59240 ?        ?        ?         ?        
1 1 1 16 40 5  o 224.4786 7.960717 505.4687   35.74022 505.4687   35.74022 ?          ?        224.4786 7.960717 ?        ?        ?         ?        
1 1 1 16 40 6  o 237.3156 7.530102 565.0358   35.74022 565.0358   35.74022 ?          ?        237.3156 7.530102 ?        ?        ?         ?        
1 1 1 16 40 7  o 154.7792 7.697030 240.5373   23.82681 240.5373   23.82681 ?          ?        154.7792 7.697030 ?        ?        ?         ?        
1 1 1 16 40 8  o 196.8147 7.206079 389.1712   28.36525 389.1712   28.36525 ?          ?        196.8147 7.206079 ?        ?        ?         ?        
1 1 1 16 40 9  o 174.2022 7.815813 305.7773   27.23064 305.7773   27.23064 ?          ?        174.2022 7.815813 ?        ?        ?         ?        
1 1 1 16 40 10 o 70.44642 15.70606 53.32666   21.55759 53.32666   21.55759 ?          ?        70.44642 15.70606 ?        ?        ?         ?        
1 1 1 16 40 11 o 142.8268 10.32715 207.6336   29.49986 207.6336   29.49986 ?          ?        142.8268 10.32715 ?        ?        ?         ?        
1 1 1 16 40 12 o 202.6612 7.418085 415.8346   30.06716 415.8346   30.06716 ?          ?        202.6612 7.418085 ?        ?        ?         ?        
1 1 1 16 40 13 f 176.3710 7.558875 315.9889   26.66333 315.9889   26.66333 ?          ?        176.3710 7.558875 ?        ?        ?         ?        
1 1 1 16 40 14 o 78.56410 12.99765 65.24007   20.42298 65.24007   20.42298 ?          ?        78.56410 12.99765 ?        ?        ?         ?        
1 1 1 16 41 0  o 834.4353 26.12926 7078.264   435.1229 7078.264   435.1229 7078.264   435.1229 834.4353 26.12926 834.4353 26.12926 -0.000000 0.000000 
1 1 1 16 41 1  o 484.9272 11.05533 2363.392   107.2206 2363.392   107.2206 ?          ?        484.9272 11.05533 ?        ?        ?         ?        
1 1 1 16 41 2  o 181.1449 7.829435 329.0369   28.36525 329.0369   28.36525 ?          ?        181.1449 7.829435 ?        ?        ?         ?        
1 1 1 16 41 3  o 246.5078 7.594512 609.2856   37.44213 609.2856   37.44213 ?          ?        246.5078 7.594512 ?        ?        ?         ?        
1 1 1 16 41 4  o 207.2202 7.802419 430.5845   32.33638 430.5845   32.33638 ?          ?        207.2202 7.802419 ?        ?        ?         ?        
1 1 1 16 41 5  o 385.7111 9.339598 1494.849   72.04772 1494.849   72.04772 ?          ?        385.7111 9.339598 ?        ?        ?         ?        
1 1 1 16 41 6  o 190.7748 7.434225 365.3444   28.36525 365.3444   28.36525 ?          ?        190.7748 7.434225 ?        ?        ?         ?        
1 1 1 16 41 7  o 223.8658 7.475682 503.1995   33.47099 503.1995   33.47099 ?          ?        223.8658 7.475682 ?        ?        ?         ?        
1 1 1 16 41 8  o 211.2997 7.383297 448.7382   31.20177 448.7382   31.20177 ?          ?        211.2997 7.383297 ?        ?        ?         ?        
1 1 1 16 41 9  o 147.3642 8.276811 218.9797   24.39412 218.9797   24.39412 ?          ?        147.3642 8.276811 ?        ?        ?         ?        
1 1 1 16 41 10 o 179.5298 7.425880 325.0657   26.66333 325.0657   26.66333 ?          ?        179.5298 7.425880 ?        ?        ?         ?        
1 1 1 16 41 11 o 27.05151 13.19345 -40.84595  23.25950 -40.84595  23.25950 ?          ?        27.05151 13.19345 ?        ?        ?         ?        
1 1 1 16 41 12 o 134.0308 8.676927 183.2395   23.25950 183.2395   23.25950 ?          ?        134.0308 8.676927 ?        ?        ?         ?        
1 1 1 16 41 13 o 169.3665 7.536533 291.5948   25.52872 291.5948   25.52872 ?          ?        169.3665 7.536533 ?        ?        ?         ?        
1 1 1 16 41 14 o 103.2180 10.44274 110.6245   21.55759 110.6245   21.55759 ?          ?        103.2180 10.44274 ?        ?        ?         ?        
1 1 1 16 42 0  o 506.9232 16.71468 2594.853   169.0569 2594.853   169.0569 2594.853   169.0569 506.9232 16.71468 506.9232 16.71468 -0.000000 0.000000 
1 1 1 16 42 1  o 469.9137 10.86528 2220.431   102.1149 2220.431   102.1149 ?          ?        469.9137 10.86528 ?        ?        ?         ?        
1 1 1 16 42 2  o 262.8502 7.553988 692.6793   39.71135 692.6793   39.71135 ?          ?        262.8502 7.553988 ?        ?        ?         ?        
1 1 1 16 42 3  o 398.7791 10.10049 1597.531   80.55730 1597.531   80.55730 ?          ?        398.7791 10.10049 ?        ?        ?         ?        
1 1 1 16 42 4  o 78.40168 16.44475 64.67276   24.96142 64.67276   24.96142 ?          ?        78.40168 16.44475 ?        ?        ?         ?        
1 1 1 16 42 5  o 105.2987 11.31391 111.7591   23.82681 111.7591   23.82681 ?          ?        105.2987 11.31391 ?        ?        ?         ?        
1 1 1 16 42 6  o 88.27837 13.17395 78.85539   23.25950 78.85539   23.25950 ?          ?        88.27837 13.17395 ?        ?        ?         ?        
1 1 1 16 42 7  o 97.02982 11.69342 95.30723   22.69220 95.30723   22.69220 ?          ?        97.02982 11.69342 ?        ?        ?         ?        
1 1 1 16 42 8  o 108.9486 10.41417 120.2687   22.69220 120.2687   22.69220 ?          ?        108.9486 10.41417 ?        ?        ?         ?        
1 1 1 16 42 9  o 183.6462 7.413886 339.8157   27.23064 339.8157   27.23064 ?          ?        183.6462 7.413886 ?        ?        ?         ?        
1 1 1 16 42 10 o 237.7527 7.635566 570.7088   36.30752 570.7088   36.30752 ?          ?        237.7527 7.635566 ?        ?        ?         ?        
1 1 1 16 42 11 o 135.0813 8.819432 185.5087   23.82681 185.5087   23.82681 ?          ?        135.0813 8.819432 ?        ?        ?         ?        
1 1 1 16 42 12 o 68.68162 17.96680 52.75936   24.96142 52.75936   24.96142 ?          ?        68.68162 17.96680 ?        ?        ?         ?        
1 1 1 16 42 13 o 316.2968 8.609204 1023.985   54.46128 1023.985   54.46128 ?          ?        316.2968 8.609204 ?        ?        ?         ?        
1 1 1 16 43 0  o 402.8546 13.90718 1635.540   111.7591 1635.540   111.7591 1635.540   111.7591 402.8546 13.90718 402.8546 13.90718 -0.000000 0.000000 
1 1 1 16 43 1  o 418.1226 9.904574 1755.809   82.82652 1755.809   82.82652 ?          ?        418.1226 9.904574 ?        ?        ?         ?        
1 1 1 16 43 2  o 186.6517 8.054350 349.4599   30.06716 349.4599   30.06716 ?          ?        186.6517 8.054350 ?        ?        ?         ?        
1 1 1 16 43 3  o 389.8618 9.385675 1527.185   73.18234 1527.185   73.18234 ?          ?        389.8618 9.385675 ?        ?        ?         ?        
1 1 1 16 43 4  o 264.5568 7.719694 702.3236   40.84595 702.3236   40.84595 ?          ?        264.5568 7.719694 ?        ?        ?         ?        
1 1 1 16 43 5  o 30.06826 14.34643 -30.63447  23.82681 -30.63447  23.82681 ?          ?        30.06826 14.34643 ?        ?        ?         ?        
1 1 1 16 43 6  o 77.25018 15.96493 62.97085   23.82681 62.97085   23.82681 ?          ?        77.25018 15.96493 ?        ?        ?         ?        
1 1 1 16 43 7  f 315.9613 8.079700 1004.130   51.05745 1004.130   51.05745 ?          ?        315.9613 8.079700 ?        ?        ?         ?        
1 1 1 16 43 8  o 131.9557 9.028339 175.8645   23.82681 175.8645   23.82681 ?          ?        131.9557 9.028339 ?        ?        ?         ?        
1 1 1 16 43 9  f 44.96635 17.01511 15.88454   20.99029 15.88454   20.99029 ?          ?        44.96635 17.01511 ?        ?        ?         ?        
1 1 1 16 43 10 o 141.6393 8.611353 203.0952   24.39412 203.0952   24.39412 ?          ?        141.6393 8.611353 ?        ?        ?         ?        
1 1 1 16 43 11 o 117.6411 11.33249 142.3935   26.66333 142.3935   26.66333 ?          ?        117.6411 11.33249 ?        ?        ?         ?        
1 1 1 16 43 12 o 182.7493 7.605486 339.2484   27.79794 339.2484   27.79794 ?          ?        182.7493 7.605486 ?        ?        ?         ?        
1 1 1 16 43 13 o 143.8302 8.480178 211.6048   24.39412 211.6048   24.39412 ?          ?        143.8302 8.480178 ?        ?        ?         ?        
1 1 1 16 44 0  o 154.0239 17.32089 247.9123   52.19205 247.9123   52.19205 247.9123   52.19205 154.0239 17.32089 154.0239 17.32089 -0.000000 0.000000 
1 1 1 16 44 1  o 349.0098 9.265180 1223.677   64.67276 1223.677   64.67276 ?          ?        349.0098 9.265180 ?        ?        ?         ?        
1 1 1 16 44 2  o 151.2424 9.002316 229.7585   27.23064 229.7585   27.23064 ?          ?        151.2424 9.002316 ?        ?        ?         ?        
1 1 1 16 44 3  o 332.6819 8.440976 1111.350   56.16319 1111.350   56.16319 ?          ?        332.6819 8.440976 ?        ?        ?         ?        
1 1 1 16 44 4  o 93.52173 13.04195 88.49958   24.39412 88.49958   24.39412 ?          ?        93.52173 13.04195 ?        ?        ?         ?        
1 1 1 16 44 5  o 270.8023 7.751146 736.3619   41.98057 736.3619   41.98057 ?          ?        270.8023 7.751146 ?        ?        ?         ?        
1 1 1 16 44 6  o 303.7448 8.124508 928.1110   49.35553 928.1110   49.35553 ?          ?        303.7448 8.124508 ?        ?        ?         ?        
1 1 1 16 44 7  o 181.8039 7.957078 333.0080   28.93255 333.0080   28.93255 ?          ?        181.8039 7.957078 ?        ?        ?         ?        
1 1 1 16 44 8  o 155.3636 8.033224 243.3738   24.96142 243.3738   24.96142 ?          ?        155.3636 8.033224 ?        ?        ?         ?        
1 1 1 16 44 9  o 177.0912 7.688312 316.5562   27.23064 316.5562   27.23064 ?          ?        177.0912 7.688312 ?        ?        ?         ?        
1 1 1 16 44 10 o 33.04639 14.73738 -6.807660  19.85567 -6.807660  19.85567 ?          ?        33.04639 14.73738 ?        ?        ?         ?        
1 1 1 16 44 11 o 140.3196 10.10737 201.9606   28.36525 201.9606   28.36525 ?          ?        140.3196 10.10737 ?        ?        ?         ?        
1 1 1 16 44 12 o 260.7925 7.396059 690.4101   38.57674 690.4101   38.57674 ?          ?        260.7925 7.396059 ?        ?        ?         ?        
1 1 1 16 44 13 o 222.7791 8.658070 508.8725   38.57674 508.8725   38.57674 ?          ?        222.7791 8.658070 ?        ?        ?         ?        
1 1 1 16 45 0  o 452.6559 14.94983 2068.394   135.0186 2068.394   135.0186 2068.394   135.0186 452.6559 14.94983 452.6559 14.94983 -0.000000 0.000000 
1 1 1 16 45 1  o 199.7704 7.951399 400.5173   31.76908 400.5173   31.76908 ?          ?        199.7704 7.951399 ?        ?        ?         ?        
1 1 1 16 45 2  o 248.2436 7.427145 618.3624   36.87482 618.3624   36.87482 ?          ?        248.2436 7.427145 ?        ?        ?         ?        
1 1 1 16 45 3  o 212.4893 7.475455 453.2767   31.76908 453.2767   31.76908 ?          ?        212.4893 7.475455 ?        ?        ?         ?        
1 1 1 16 45 4  f 55.11852 17.46507 30.63447   21.55759 30.63447   21.55759 ?          ?        55.11852 17.46507 ?        ?        ?         ?        
1 1 1 16 45 5  o 220.5140 7.332047 488.4496   32.33638 488.4496   32.33638 ?          ?        220.5140 7.332047 ?        ?        ?         ?        
1 1 1 16 45 6  o 71.94367 16.16612 55.02858   22.69220 55.02858   22.69220 ?          ?        71.94367 16.16612 ?        ?        ?         ?        
1 1 1 16 45 7  o 127.5480 9.562720 164.5184   24.39412 164.5184   24.39412 ?          ?        127.5480 9.562720 ?        ?        ?         ?        
1 1 1 16 45 8  o 74.47686 14.61269 58.99971   20.99029 58.99971   20.99029 ?          ?        74.47686 14.61269 ?        ?        ?         ?        
1 1 1 16 45 9  o 154.1129 7.914362 239.9700   24.39412 239.9700   24.39412 ?          ?        154.1129 7.914362 ?        ?        ?         ?        
1 1 1 16 45 10 o 46.20123 17.11601 18.72106   20.99029 18.72106   20.99029 ?          ?        46.20123 17.11601 ?        ?        ?         ?        
1 1 1 16 45 11 f 88.56336 12.81128 81.69191   22.69220 81.69191   22.69220 ?          ?        88.56336 12.81128 ?        ?        ?         ?        
1 1 1 16 45 12 o 126.3522 8.755248 163.3838   22.12490 163.3838   22.12490 ?          ?        126.3522 8.755248 ?        ?        ?         ?        
1 1 1 16 45 13 o 87.57563 11.98409 80.55730   20.99029 80.55730   20.99029 ?          ?        87.57563 11.98409 ?        ?        ?         ?        
1 1 1 16 46 0  o 26.71236 18.65046 -28.36525  34.60560 -28.36525  34.60560 -28.36525  34.60560 26.71236 18.65046 26.71236 18.65046 -0.000000 0.000000 
1 1 1 16 46 1  o 354.2501 8.807838 1261.686   62.40355 1261.686   62.40355 ?          ?        354.2501 8.807838 ?        ?        ?         ?        
1 1 1 16 46 2  o 207.1252 7.258209 430.5845   30.06716 430.5845   30.06716 ?          ?        207.1252 7.258209 ?        ?        ?         ?        
1 1 1 16 46 3  o 87.45228 17.15337 80.55730   28.93255 80.55730   28.93255 ?          ?        87.45228 17.15337 ?        ?        ?         ?        
1 1 1 16 46 4  o 74.19472 16.82359 58.43241   24.39412 58.43241   24.39412 ?          ?        74.19472 16.82359 ?        ?        ?         ?        
1 1 1 16 46 5  o 223.6061 7.738071 502.6322   34.60560 502.6322   34.60560 ?          ?        223.6061 7.738071 ?        ?        ?         ?        
1 1 1 16 46 6  o 36.70149 16.11121 -4.538440  22.69220 -4.538440  22.69220 ?          ?        36.70149 16.11121 ?        ?        ?         ?        
1 1 1 16 46 7  o 240.5878 7.191886 582.6222   34.60560 582.6222   34.60560 ?          ?        240.5878 7.191886 ?        ?        ?         ?        
1 1 1 16 46 8  o 95.28136 11.01490 92.47070   20.99029 92.47070   20.99029 ?          ?        95.28136 11.01490 ?        ?        ?         ?        
1 1 1 16 46 9  o 241.5503 7.398088 588.8625   35.74022 588.8625   35.74022 ?          ?        241.5503 7.398088 ?        ?        ?         ?        
1 1 1 16 46 10 o 72.85331 14.53122 57.29780   20.42298 57.29780   20.42298 ?          ?        72.85331 14.53122 ?        ?        ?         ?        
1 1 1 16 46 11 o 125.1250 9.067815 159.9800   22.69220 159.9800   22.69220 ?          ?        125.1250 9.067815 ?        ?        ?         ?        
1 1 1 16 46 12 o 123.0142 9.223404 155.4416   22.69220 155.4416   22.69220 ?          ?        123.0142 9.223404 ?        ?        ?         ?        
1 1 1 16 47 0  o 95.13465 21.58125 104.3841   35.74022 104.3841   35.74022 104.3841   35.74022 95.13465 21.58125 95.13465 21.58125 -0.000000 0.000000 
1 1 1 16 47 1  o 182.0934 7.944426 333.0080   28.93255 333.0080   28.93255 ?          ?        182.0934 7.944426 ?        ?        ?         ?        
1 1 1 16 47 2  o 282.6418 7.727535 802.1692   43.68248 802.1692   43.68248 ?          ?        282.6418 7.727535 ?        ?        ?         ?        
1 1 1 16 47 3  o 179.3786 9.171577 323.9312   32.90369 323.9312   32.90369 ?          ?        179.3786 9.171577 ?        ?        ?         ?        
1 1 1 16 47 4  o 260.3105 7.845624 681.3333   40.84595 681.3333   40.84595 ?          ?        260.3105 7.845624 ?        ?        ?         ?        
1 1 1 16 47 5  o 92.71239 12.23795 87.36497   22.69220 87.36497   22.69220 ?          ?        92.71239 12.23795 ?        ?        ?         ?        
1 1 1 16 47 6  o 260.0430 8.290010 681.9006   43.11518 681.9006   43.11518 ?          ?        260.0430 8.290010 ?        ?        ?         ?        
1 1 1 16 47 7  o 126.0758 11.92424 162.2492   30.06716 162.2492   30.06716 ?          ?        126.0758 11.92424 ?        ?        ?         ?        
1 1 1 16 47 8  o 50.60098 17.03732 25.52872   20.42298 25.52872   20.42298 ?          ?        50.60098 17.03732 ?        ?        ?         ?        
1 1 1 16 47 9  o 46.35411 17.12730 18.72106   20.99029 18.72106   20.99029 ?          ?        46.35411 17.12730 ?        ?        ?         ?        
1 1 1 16 47 10 o 99.67310 11.38331 102.6822   22.69220 102.6822   22.69220 ?          ?        99.67310 11.38331 ?        ?        ?         ?        
1 1 1 16 47 11 o 72.53854 15.33269 57.86510   21.55759 57.86510   21.55759 ?          ?        72.53854 15.33269 ?        ?        ?         ?        
1 1 1 16 47 12 o 190.3216 7.451925 368.7482   28.36525 368.7482   28.36525 ?          ?        190.3216 7.451925 ?        ?        ?         ?        
1 1 1 16 48 0  o 38.84819 24.08678 13.04801   36.30752 13.04801   36.30752 13.04801   36.30752 38.84819 24.08678 38.84819 24.08678 -0.000000 0.000000 
1 1 1 16 48 1  o 143.8048 9.270670 208.2009   26.66333 208.2009   26.66333 ?          ?        143.8048 9.270670 ?        ?        ?         ?        
1 1 1 16 48 2  o 85.81282 13.88301 74.88425   23.82681 74.88425   23.82681 ?          ?        85.81282 13.88301 ?        ?        ?         ?        
1 1 1 16 48 3  o 90.06606 12.59753 82.25922   22.69220 82.25922   22.69220 ?          ?        90.06606 12.59753 ?        ?        ?         ?        
1 1 1 16 48 4  o 246.4753 7.480430 610.9874   36.87482 610.9874   36.87482 ?          ?        246.4753 7.480430 ?        ?        ?         ?        
1 1 1 16 48 5  o 160.9145 7.932389 260.9603   25.52872 260.9603   25.52872 ?          ?        160.9145 7.932389 ?        ?        ?         ?        
1 1 1 16 48 6  o 182.1469 7.319185 334.1426   26.66333 334.1426   26.66333 ?          ?        182.1469 7.319185 ?        ?        ?         ?        
1 1 1 16 48 7  o 218.2501 8.057937 481.0746   35.17290 481.0746   35.17290 ?          ?        218.2501 8.057937 ?        ?        ?         ?        
1 1 1 16 48 8  o 32.10509 14.79719 -15.88454  22.12490 -15.88454  22.12490 ?          ?        32.10509 14.79719 ?        ?        ?         ?        
1 1 1 16 48 9  o 30.82474 14.50283 -23.25950  23.25950 -23.25950  23.25950 ?          ?        30.82474 14.50283 ?        ?        ?         ?        
1 1 1 16 48 10 o 129.9796 9.165596 172.4607   23.82681 172.4607   23.82681 ?          ?        129.9796 9.165596 ?        ?        ?         ?        
1 1 1 16 48 11 o 216.4711 7.206914 475.9689   31.20177 475.9689   31.20177 ?          ?        216.4711 7.206914 ?        ?        ?         ?        
1 1 1 16 48 12 o 114.6255 10.14587 136.1532   23.25950 136.1532   23.25950 ?          ?        114.6255 10.14587 ?        ?        ?         ?        
1 1 1 16 49 0  o 15.53278 11.62819 -110.6245  30.63447 -110.6245  30.63447 -110.6245  30.63447 15.53278 11.62819 15.53278 11.62819 -0.000000 0.000000 
1 1 1 16 49 1  o 104.6972 12.73355 111.1918   26.66333 111.1918   26.66333 ?          ?        104.6972 12.73355 ?        ?        ?         ?        
1 1 1 16 49 2  o 237.1907 7.773244 565.6030   36.87482 565.6030   36.87482 ?          ?        237.1907 7.773244 ?        ?        ?         ?        
1 1 1 16 49 3  o 151.0028 8.453061 229.7585   25.52872 229.7585   25.52872 ?          ?        151.0028 8.453061 ?        ?        ?         ?        
1 1 1 16 49 4  o 89.76047 12.95643 82.25922   23.25950 82.25922   23.25950 ?          ?        89.76047 12.95643 ?        ?        ?         ?        
1 1 1 16 49 5  o 266.6488 7.871883 716.5062   41.98057 716.5062   41.98057 ?          ?        266.6488 7.871883 ?        ?        ?         ?        
1 1 1 16 49 6  o 311.0174 8.208134 976.8991   51.05745 976.8991   51.05745 ?          ?        311.0174 8.208134 ?        ?        ?         ?        
1 1 1 16 49 7  o 147.9153 8.245976 221.2489   24.39412 221.2489   24.39412 ?          ?        147.9153 8.245976 ?        ?        ?         ?        
1 1 1 16 49 8  o 217.5434 7.562556 478.2381   32.90369 478.2381   32.90369 ?          ?        217.5434 7.562556 ?        ?        ?         ?        
1 1 1 16 49 9  f 166.5007 8.006972 281.3832   26.66333 281.3832   26.66333 ?          ?        166.5007 8.006972 ?        ?        ?         ?        
1 1 1 16 49 10 o 175.2506 7.607203 312.0177   26.66333 312.0177   26.66333 ?          ?        175.2506 7.607203 ?        ?        ?         ?        
1 1 1 16 49 11 o 76.96870 14.16623 64.67276   20.99029 64.67276   20.99029 ?          ?        76.96870 14.16623 ?        ?        ?         ?        
1 1 1 16 50 0  o 195.1927 10.97157 386.9020   42.54787 386.9020   42.54787 386.9020   42.54787 195.1927 10.97157 195.1927 10.97157 -0.000000 0.000000 
1 1 1 16 50 1  o 359.5417 8.914886 1303.667   64.10546 1303.667   64.10546 ?          ?        359.5417 8.914886 ?        ?        ?         ?        
1 1 1 16 50 2  o 244.2542 8.129103 601.3433   39.71135 601.3433   39.71135 ?          ?        244.2542 8.129103 ?        ?        ?         ?        
1 1 1 16 50 3  o 235.2510 7.837336 557.6608   36.87482 557.6608   36.87482 ?          ?        235.2510 7.837336 ?        ?        ?         ?        
1 1 1 16 50 4  o 98.18200 12.13400 98.14376   23.82681 98.14376   23.82681 ?          ?        98.18200 12.13400 ?        ?        ?         ?        
1 1 1 16 50 5  f 65.63082 16.78730 46.51900   22.12490 46.51900   22.12490 ?          ?        65.63082 16.78730 ?        ?        ?         ?        
1 1 1 16 50 6  o 148.8607 8.384156 224.0854   24.96142 224.0854   24.96142 ?          ?        148.8607 8.384156 ?        ?        ?         ?        
1 1 1 16 50 7  o 72.23338 15.38038 56.16319   21.55759 56.16319   21.55759 ?          ?        72.23338 15.38038 ?        ?        ?         ?        
1 1 1 16 50 8  o 239.1245 7.591763 579.2183   36.30752 579.2183   36.30752 ?          ?        239.1245 7.591763 ?        ?        ?         ?        
1 1 1 16 50 9  o 200.1820 7.226563 406.1903   28.93255 406.1903   28.93255 ?          ?        200.1820 7.226563 ?        ?        ?         ?        
1 1 1 16 50 10 o 53.86144 17.50417 31.20177   21.55759 31.20177   21.55759 ?          ?        53.86144 17.50417 ?        ?        ?         ?        
1 1 1 16 50 11 f 198.6340 7.425682 401.6519   29.49986 401.6519   29.49986 ?          ?        198.6340 7.425682 ?        ?        ?         ?        
1 1 1 16 51 0  f 89.15788 20.88818 93.03801   32.33638 93.03801   32.33638 93.03801   32.33638 89.15788 20.88818 89.15788 20.88818 -0.000000 0.000000 
1 1 1 16 51 1  o 256.5387 7.408129 662.6122   38.00943 662.6122   38.00943 ?          ?        256.5387 7.408129 ?        ?        ?         ?        
1 1 1 16 51 2  o 352.2853 8.937480 1253.177   62.97085 1253.177   62.97085 ?          ?        352.2853 8.937480 ?        ?        ?         ?        
1 1 1 16 51 3  f 206.9538 8.634830 432.2864   35.74022 432.2864   35.74022 ?          ?        206.9538 8.634830 ?        ?        ?         ?        
1 1 1 16 51 4  o 198.9650 7.841021 399.3827   31.20177 399.3827   31.20177 ?          ?        198.9650 7.841021 ?        ?        ?         ?        
1 1 1 16 51 5  o 108.4565 10.72296 119.7014   23.25950 119.7014   23.25950 ?          ?        108.4565 10.72296 ?        ?        ?         ?        
1 1 1 16 51 6  o 205.7418 7.444882 427.1806   30.63447 427.1806   30.63447 ?          ?        205.7418 7.444882 ?        ?        ?         ?        
1 1 1 16 51 7  o 135.1159 9.237041 185.5087   24.96142 185.5087   24.96142 ?          ?        135.1159 9.237041 ?        ?        ?         ?        
1 1 1 16 51 8  o 177.0916 7.528118 317.6908   26.66333 317.6908   26.66333 ?          ?        177.0916 7.528118 ?        ?        ?         ?        
1 1 1 16 51 9  o 171.7858 7.595512 299.5370   26.09603 299.5370   26.09603 ?          ?        171.7858 7.595512 ?        ?        ?         ?        
1 1 1 16 51 10 o 108.1400 11.01665 121.4033   23.82681 121.4033   23.82681 ?          ?        108.1400 11.01665 ?        ?        ?         ?        
1 1 1 16 51 11 o 269.2771 8.005728 741.4675   43.11518 741.4675   43.11518 ?          ?        269.2771 8.005728 ?        ?        ?         ?        
1 1 1 16 52 0  o 198.5237 11.36544 401.0846   44.81709 401.0846   44.81709 401.0846   44.81709 198.5237 11.36544 198.5237 11.36544 -0.000000 0.000000 
1 1 1 16 52 1  o 251.9864 7.879660 639.9200   39.71135 639.9200   39.71135 ?          ?        251.9864 7.879660 ?        ?        ?         ?        
1 1 1 16 52 2  o 35.76066 16.04052 -9.644185  23.82681 -9.644185  23.82681 ?          ?        35.76066 16.04052 ?        ?        ?         ?        
1 1 1 16 52 3  o 142.4737 8.959098 205.3644   25.52872 205.3644   25.52872 ?          ?        142.4737 8.959098 ?        ?        ?         ?        
1 1 1 16 52 4  o 43.98972 17.08606 13.61532   21.55759 13.61532   21.55759 ?          ?        43.98972 17.08606 ?        ?        ?         ?        
1 1 1 16 52 5  o 37.27962 16.50456 -6.240355  24.39412 -6.240355  24.39412 ?          ?        37.27962 16.50456 ?        ?        ?         ?        
1 1 1 16 52 6  o 98.45509 11.81224 99.27837   23.25950 99.27837   23.25950 ?          ?        98.45509 11.81224 ?        ?        ?         ?        
1 1 1 16 52 7  o 48.58335 17.82602 21.55759   22.69220 21.55759   22.69220 ?          ?        48.58335 17.82602 ?        ?        ?         ?        
1 1 1 16 52 8  o 40.71263 17.14775 5.105744   23.82681 5.105744   23.82681 ?          ?        40.71263 17.14775 ?        ?        ?         ?        
1 1 1 16 52 9  o 152.6514 7.990140 237.1335   24.39412 237.1335   24.39412 ?          ?        152.6514 7.990140 ?        ?        ?         ?        
1 1 1 16 52 10 o 74.15726 15.05929 60.70163   21.55759 60.70163   21.55759 ?          ?        74.15726 15.05929 ?        ?        ?         ?        
1 1 1 16 53 0  o 181.8416 11.80094 338.1137   42.54787 338.1137   42.54787 338.1137   42.54787 181.8416 11.80094 181.8416 11.80094 -0.000000 0.000000 
1 1 1 16 53 1  o 146.3629 8.914834 216.7105   26.09603 216.7105   26.09603 ?          ?        146.3629 8.914834 ?        ?        ?         ?        
1 1 1 16 53 2  o 407.1909 10.03116 1682.627   81.69191 1682.627   81.69191 ?          ?        407.1909 10.03116 ?        ?        ?         ?        
1 1 1 16 53 3  o 173.0253 8.032912 302.3735   27.79794 302.3735   27.79794 ?          ?        173.0253 8.032912 ?        ?        ?         ?        
1 1 1 16 53 4  o 64.24614 17.59230 44.81709   23.25950 44.81709   23.25950 ?          ?        64.24614 17.59230 ?        ?        ?         ?        
1 1 1 16 53 5  o 61.84750 17.24611 41.41326   22.12490 41.41326   22.12490 ?          ?        61.84750 17.24611 ?        ?        ?         ?        
1 1 1 16 53 6  o 233.2227 7.783873 550.8531   36.30752 550.8531   36.30752 ?          ?        233.2227 7.783873 ?        ?        ?         ?        
1 1 1 16 53 7  o 176.9282 8.336673 318.2581   29.49986 318.2581   29.49986 ?          ?        176.9282 8.336673 ?        ?        ?         ?        
1 1 1 16 53 8  f 56.91242 18.15241 35.17290   23.25950 35.17290   23.25950 ?          ?        56.91242 18.15241 ?        ?        ?         ?        
1 1 1 16 53 9  o 36.89481 15.94637 0.5673050  21.55759 0.5673050  21.55759 ?          ?        36.89481 15.94637 ?        ?        ?         ?        
1 1 1 16 53 10 o 42.30622 17.15787 11.34610   22.69220 11.34610   22.69220 ?          ?        42.30622 17.15787 ?        ?        ?         ?        
1 1 1 16 54 0  o 172.4582 13.48471 306.9120   45.95170 306.9120   45.95170 306.9120   45.95170 172.4582 13.48471 172.4582 13.48471 -0.000000 0.000000 
1 1 1 16 54 1  o 182.8304 7.912401 337.5464   28.93255 337.5464   28.93255 ?          ?        182.8304 7.912401 ?        ?        ?         ?        
1 1 1 16 54 2  o 277.4542 7.974253 777.7751   44.24979 777.7751   44.24979 ?          ?        277.4542 7.974253 ?        ?        ?         ?        
1 1 1 16 54 3  o 74.82565 16.72499 60.70163   24.39412 60.70163   24.39412 ?          ?        74.82565 16.72499 ?        ?        ?         ?        
1 1 1 16 54 4  o 174.8304 8.274466 309.1812   28.93255 309.1812   28.93255 ?          ?        174.8304 8.274466 ?        ?        ?         ?        
1 1 1 16 54 5  f 119.7683 10.18388 146.3647   24.39412 146.3647   24.39412 ?          ?        119.7683 10.18388 ?        ?        ?         ?        
1 1 1 16 54 6  o 47.95278 17.79010 20.42298   22.69220 20.42298   22.69220 ?          ?        47.95278 17.79010 ?        ?        ?         ?        
1 1 1 16 54 7  o 30.94588 14.46600 -18.72106  22.12490 -18.72106  22.12490 ?          ?        30.94588 14.46600 ?        ?        ?         ?        
1 1 1 16 54 8  o 49.19440 18.57259 21.55759   24.96142 21.55759   24.96142 ?          ?        49.19440 18.57259 ?        ?        ?         ?        
1 1 1 16 54 9  o 154.1457 8.280714 242.8065   25.52872 242.8065   25.52872 ?          ?        154.1457 8.280714 ?        ?        ?         ?        
1 1 1 16 54 10 o 144.4167 9.034975 214.4413   26.09603 214.4413   26.09603 ?          ?        144.4167 9.034975 ?        ?        ?         ?        
1 1 1 16 55 0  o 154.4992 11.88909 245.6430   36.30752 245.6430   36.30752 245.6430   36.30752 154.4992 11.88909 154.4992 11.88909 -0.000000 0.000000 
1 1 1 16 55 1  o 229.6182 7.906064 532.6994   36.30752 532.6994   36.30752 ?          ?        229.6182 7.906064 ?        ?        ?         ?        
1 1 1 16 55 2  f 66.51366 18.78957 48.22092   26.09603 48.22092   26.09603 ?          ?        66.51366 18.78957 ?        ?        ?         ?        
1 1 1 16 55 3  o 133.6974 9.547199 181.5376   25.52872 181.5376   25.52872 ?          ?        133.6974 9.547199 ?        ?        ?         ?        
1 1 1 16 55 4  f 33.54325 15.33987 -14.18262  23.25950 -14.18262  23.25950 ?          ?        33.54325 15.33987 ?        ?        ?         ?        
1 1 1 16 55 5  o 37.05575 16.18991 -2.269220  22.69220 -2.269220  22.69220 ?          ?        37.05575 16.18991 ?        ?        ?         ?        
1 1 1 16 55 6  o 31.46555 14.77182 -22.12490  23.82681 -22.12490  23.82681 ?          ?        31.46555 14.77182 ?        ?        ?         ?        
1 1 1 16 55 7  o 119.3700 10.69311 146.9320   25.52872 146.9320   25.52872 ?          ?        119.3700 10.69311 ?        ?        ?         ?        
1 1 1 16 55 8  o 110.3767 11.82135 127.0763   26.09603 127.0763   26.09603 ?          ?        110.3767 11.82135 ?        ?        ?         ?        
1 1 1 16 55 9  o 89.98865 13.86921 86.23035   24.96142 86.23035   24.96142 ?          ?        89.98865 13.86921 ?        ?        ?         ?        
1 1 1 16 56 0  o 245.1216 11.51050 611.5547   56.16319 611.5547   56.16319 611.5547   56.16319 245.1216 11.51050 245.1216 11.51050 -0.000000 0.000000 
1 1 1 16 56 1  o 228.7364 7.812532 528.7282   35.74022 528.7282   35.74022 ?          ?        228.7364 7.812532 ?        ?        ?         ?        
1 1 1 16 56 2  o 327.5968 10.13054 1093.197   66.37468 1093.197   66.37468 ?          ?        327.5968 10.13054 ?        ?        ?         ?        
1 1 1 16 56 3  o 81.44524 16.24776 72.04772   25.52872 72.04772   25.52872 ?          ?        81.44524 16.24776 ?        ?        ?         ?        
1 1 1 16 56 4  o 53.58405 19.54041 27.23064   27.23064 27.23064   27.23064 ?          ?        53.58405 19.54041 ?        ?        ?         ?        
1 1 1 16 56 5  o 53.76591 17.73300 30.63447   22.12490 30.63447   22.12490 ?          ?        53.76591 17.73300 ?        ?        ?         ?        
1 1 1 16 56 6  f 199.7653 8.093592 405.6230   32.33638 405.6230   32.33638 ?          ?        199.7653 8.093592 ?        ?        ?         ?        
1 1 1 16 56 7  o 105.2393 12.66795 115.7302   26.66333 115.7302   26.66333 ?          ?        105.2393 12.66795 ?        ?        ?         ?        
1 1 1 16 56 8  o 156.7757 7.960870 250.7488   24.96142 250.7488   24.96142 ?          ?        156.7757 7.960870 ?        ?        ?         ?        
1 1 1 16 56 9  o 132.8018 9.184403 181.5376   24.39412 181.5376   24.39412 ?          ?        132.8018 9.184403 ?        ?        ?         ?        
1 1 1 16 57 0  o 403.0855 14.18283 1664.473   114.0283 1664.473   114.0283 1664.473   114.0283 403.0855 14.18283 403.0855 14.18283 -0.000000 0.000000 
1 1 1 16 57 1  o 87.40677 13.62984 79.42269   23.82681 79.42269   23.82681 ?          ?        87.40677 13.62984 ?        ?        ?         ?        
1 1 1 16 57 2  f 32.59641 15.26964 -22.12490  24.96142 -22.12490  24.96142 ?          ?        32.59641 15.26964 ?        ?        ?         ?        
1 1 1 16 57 3  o 47.51312 18.23597 18.15376   24.39412 18.15376   24.39412 ?          ?        47.51312 18.23597 ?        ?        ?         ?        
1 1 1 16 57 4  o 177.8353 8.134648 321.6619   28.93255 321.6619   28.93255 ?          ?        177.8353 8.134648 ?        ?        ?         ?        
1 1 1 16 57 5  o 48.48775 18.80583 18.72106   26.09603 18.72106   26.09603 ?          ?        48.48775 18.80583 ?        ?        ?         ?        
1 1 1 16 57 6  f 156.9811 11.02222 254.7199   34.60560 254.7199   34.60560 ?          ?        156.9811 11.02222 ?        ?        ?         ?        
1 1 1 16 57 7  o 48.90392 17.83747 23.25950   22.69220 23.25950   22.69220 ?          ?        48.90392 17.83747 ?        ?        ?         ?        
1 1 1 16 57 8  o 132.3609 10.28651 181.5376   27.23064 181.5376   27.23064 ?          ?        132.3609 10.28651 ?        ?        ?         ?        
1 1 1 16 58 0  o 211.2765 11.07335 456.1132   46.51900 456.1132   46.51900 456.1132   46.51900 211.2765 11.07335 211.2765 11.07335 -0.000000 0.000000 
1 1 1 16 58 1  o 204.9398 7.612426 425.4788   31.20177 425.4788   31.20177 ?          ?        204.9398 7.612426 ?        ?        ?         ?        
1 1 1 16 58 2  o 195.9959 7.815078 389.7385   30.63447 389.7385   30.63447 ?          ?        195.9959 7.815078 ?        ?        ?         ?        
1 1 1 16 58 3  o 136.4060 9.565570 190.6145   26.09603 190.6145   26.09603 ?          ?        136.4060 9.565570 ?        ?        ?         ?        
1 1 1 16 58 4  o 263.5468 8.072167 705.7274   42.54787 705.7274   42.54787 ?          ?        263.5468 8.072167 ?        ?        ?         ?        
1 1 1 16 58 5  o 141.9401 9.991979 207.0663   28.36525 207.0663   28.36525 ?          ?        141.9401 9.991979 ?        ?        ?         ?        
1 1 1 16 58 6  o 56.39390 18.83545 34.60560   24.96142 34.60560   24.96142 ?          ?        56.39390 18.83545 ?        ?        ?         ?        
1 1 1 16 58 7  o 68.77121 16.65199 53.32666   22.69220 53.32666   22.69220 ?          ?        68.77121 16.65199 ?        ?        ?         ?        
1 1 1 16 58 8  o 188.1076 8.142803 361.9406   30.63447 361.9406   30.63447 ?          ?        188.1076 8.142803 ?        ?        ?         ?        
1 1 1 16 59 0  o 36.30909 22.52197 13.61532   31.76908 13.61532   31.76908 13.61532   31.76908 36.30909 22.52197 36.30909 22.52197 -0.000000 0.000000 
1 1 1 16 59 1  o 159.5982 8.708728 259.8257   27.79794 259.8257   27.79794 ?          ?        159.5982 8.708728 ?        ?        ?         ?        
1 1 1 16 59 2  o 53.87521 18.40241 30.06716   23.82681 30.06716   23.82681 ?          ?        53.87521 18.40241 ?        ?        ?         ?        
1 1 1 16 59 3  o 60.36021 17.95680 40.27865   23.25950 40.27865   23.25950 ?          ?        60.36021 17.95680 ?        ?        ?         ?        
1 1 1 16 59 4  o 145.9126 9.136751 217.8451   26.66333 217.8451   26.66333 ?          ?        145.9126 9.136751 ?        ?        ?         ?        
1 1 1 16 59 5  o 226.7324 8.131795 524.1898   36.87482 524.1898   36.87482 ?          ?        226.7324 8.131795 ?        ?        ?         ?        
1 1 1 16 59 6  o 83.78810 15.81194 77.72078   25.52872 77.72078   25.52872 ?          ?        83.78810 15.81194 ?        ?        ?         ?        
1 1 1 16 59 7  o 100.4797 13.26802 107.2206   26.66333 107.2206   26.66333 ?          ?        100.4797 13.26802 ?        ?        ?         ?        
1 1 1 16 60 0  o 121.0585 16.04271 154.3070   38.57674 154.3070   38.57674 154.3070   38.57674 121.0585 16.04271 121.0585 16.04271 -0.000000 0.000000 
1 1 1 16 60 1  o 58.83086 18.57217 38.00943   24.39412 38.00943   24.39412 ?          ?        58.83086 18.57217 ?        ?        ?         ?        
1 1 1 16 60 2  o 30.84854 14.74991 -30.63447  25.52872 -30.63447  25.52872 ?          ?        30.84854 14.74991 ?        ?        ?         ?        
1 1 1 16 60 3  o 68.75349 17.95808 53.32666   24.96142 53.32666   24.96142 ?          ?        68.75349 17.95808 ?        ?        ?         ?        
1 1 1 16 60 4  o 73.52296 16.92850 60.70163   24.39412 60.70163   24.39412 ?          ?        73.52296 16.92850 ?        ?        ?         ?        
1 1 1 16 60 5  o 130.2379 10.23640 175.2972   26.66333 175.2972   26.66333 ?          ?        130.2379 10.23640 ?        ?        ?         ?        
1 1 1 16 60 6  o 125.1603 10.19841 162.2492   25.52872 162.2492   25.52872 ?          ?        125.1603 10.19841 ?        ?        ?         ?        
1 1 1 16 61 0  o 134.5649 13.30660 190.6145   35.17290 190.6145   35.17290 190.6145   35.17290 134.5649 13.30660 134.5649 13.30660 -0.000000 0.000000 
1 1 1 16 61 1  o 76.31528 16.45182 64.67276   24.39412 64.67276   24.39412 ?          ?        76.31528 16.45182 ?        ?        ?         ?        
1 1 1 16 61 2  f 153.2422 8.699737 239.9700   26.66333 239.9700   26.66333 ?          ?        153.2422 8.699737 ?        ?        ?         ?        
1 1 1 16 61 3  o 211.0364 8.064555 454.4113   34.03830 454.4113   34.03830 ?          ?        211.0364 8.064555 ?        ?        ?         ?        
1 1 1 16 61 4  o 141.3131 9.434134 205.3644   26.66333 205.3644   26.66333 ?          ?        141.3131 9.434134 ?        ?        ?         ?        
1 1 1 16 61 5  o 115.1829 11.32808 138.4224   26.09603 138.4224   26.09603 ?          ?        115.1829 11.32808 ?        ?        ?         ?        
1 1 1 16 61 6  o 170.3996 8.656083 297.8351   29.49986 297.8351   29.49986 ?          ?        170.3996 8.656083 ?        ?        ?         ?        
1 1 1 16 62 0  o 54.60381 26.83712 48.78823   34.60560 48.78823   34.60560 48.78823   34.60560 54.60381 26.83712 54.60381 26.83712 -0.000000 0.000000 
1 1 1 16 62 1  o 93.96378 14.48997 94.17262   27.23064 94.17262   27.23064 ?          ?        93.96378 14.48997 ?        ?        ?         ?        
1 1 1 16 62 2  f 143.3451 10.09192 212.1721   28.93255 212.1721   28.93255 ?          ?        143.3451 10.09192 ?        ?        ?         ?        
1 1 1 16 62 3  o 30.51610 14.54963 -27.23064  24.39412 -27.23064  24.39412 ?          ?        30.51610 14.54963 ?        ?        ?         ?        
1 1 1 16 62 4  o 130.9521 10.18057 177.5665   26.66333 177.5665   26.66333 ?          ?        130.9521 10.18057 ?        ?        ?         ?        
1 1 1 16 62 5  o 49.04944 18.85104 21.55759   26.09603 21.55759   26.09603 ?          ?        49.04944 18.85104 ?        ?        ?         ?        
1 1 1 16 63 0  o 45.80127 26.23589 32.90369   37.44213 32.90369   37.44213 32.90369   37.44213 45.80127 26.23589 45.80127 26.23589 -0.000000 0.000000 
1 1 1 16 63 1  o 83.34492 17.25892 78.28809   27.79794 78.28809   27.79794 ?          ?        83.34492 17.25892 ?        ?        ?         ?        
1 1 1 16 63 2  o 315.5852 8.718499 1021.149   55.02858 1021.149   55.02858 ?          ?        315.5852 8.718499 ?        ?        ?         ?        
1 1 1 16 63 3  o 102.5696 12.72113 111.1918   26.09603 111.1918   26.09603 ?          ?        102.5696 12.72113 ?        ?        ?         ?        
1 1 1 16 63 4  o 152.9260 8.717723 239.9700   26.66333 239.9700   26.66333 ?          ?        152.9260 8.717723 ?        ?        ?         ?        
1 1 1 16 64 0  o 130.5802 14.42607 182.6722   36.87482 182.6722   36.87482 182.6722   36.87482 130.5802 14.42607 130.5802 14.42607 -0.000000 0.000000 
1 1 1 16 64 1  o 91.62406 14.55040 90.20149   26.66333 90.20149   26.66333 ?          ?        91.62406 14.55040 ?        ?        ?         ?        
1 1 1 16 64 2  o 105.5019 13.71186 118.5667   28.93255 118.5667   28.93255 ?          ?        105.5019 13.71186 ?        ?        ?         ?        
1 1 1 17 0  1  o 307.2613 17.85038 958.1780   108.9226 958.1780   108.9226 958.1780   108.9226 307.2613 17.85038 307.2613 17.85038 -0.000000 0.000000 
1 1 1 17 0  2  o 318.3062 15.67575 1023.985   99.27837 1023.985   99.27837 1023.985   99.27837 318.3062 15.67575 318.3062 15.67575 -0.000000 0.000000 
1 1 1 17 0  3  o 336.9908 21.38853 1156.735   142.9609 1156.735   142.9609 1156.735   142.9609 336.9908 21.38853 336.9908 21.38853 -0.000000 0.000000 
1 1 1 17 0  4  o 654.0475 21.78074 4313.787   284.2198 4313.787   284.2198 4313.787   284.2198 654.0475 21.78074 654.0475 21.78074 -0.000000 0.000000 
1 1 1 17 0  5  o 22.00776 15.93470 -55.02858  33.47099 -55.02858  33.47099 -55.02858  33.47099 22.00776 15.93470 22.00776 15.93470 -0.000000 0.000000 
1 1 1 17 0  6  o 197.7913 10.38605 394.8442   40.84595 394.8442   40.84595 394.8442   40.84595 197.7913 10.38605 197.7913 10.38605 -0.000000 0.000000 
1 1 1 17 0  8  o 321.5331 15.33639 1043.841   98.14376 1043.841   98.14376 1043.841   98.14376 321.5331 15.33639 321.5331 15.33639 -0.000000 0.000000 
1 1 1 17 0  9  o 22.30585 15.70030 -24.39412  25.52872 -24.39412  25.52872 -24.39412  25.52872 22.30585 15.70030 22.30585 15.70030 -0.000000 0.000000 
1 1 1 17 0  10 o 296.4990 12.48457 886.1303   73.74965 886.1303   73.74965 886.1303   73.74965 296.4990 12.48457 296.4990 12.48457 -0.000000 0.000000 
1 1 1 17 0  11 o 109.1046 14.15964 125.3744   30.06716 125.3744   30.06716 125.3744   30.06716 109.1046 14.15964 109.1046 14.15964 -0.000000 0.000000 
1 1 1 17 0  12 o 104.1621 13.13827 114.0283   26.66333 114.0283   26.66333 114.0283   26.66333 104.1621 13.13827 104.1621 13.13827 -0.000000 0.000000 
1 1 1 17 0  13 o 47.29022 22.62212 33.47099   24.39412 33.47099   24.39412 33.47099   24.39412 47.29022 22.62212 47.29022 22.62212 -0.000000 0.000000 
1 1 1 17 0  14 o 66.13996 20.60946 55.59589   23.82681 55.59589   23.82681 55.59589   23.82681 66.13996 20.60946 66.13996 20.60946 -0.000000 0.000000 
1 1 1 17 0  15 o 126.9970 10.87385 166.2204   27.23064 166.2204   27.23064 166.2204   27.23064 126.9970 10.87385 126.9970 10.87385 -0.000000 0.000000 
1 1 1 17 0  16 o 45.88260 20.78742 31.76908   20.42298 31.76908   20.42298 31.76908   20.42298 45.88260 20.78742 45.88260 20.78742 -0.000000 0.000000 
1 1 1 17 0  17 o 37.06588 23.28745 12.48071   35.17290 12.48071   35.17290 12.48071   35.17290 37.06588 23.28745 37.06588 23.28745 -0.000000 0.000000 
1 1 1 17 0  18 o 28.10385 18.43457 0.5673050  24.96142 0.5673050  24.96142 0.5673050  24.96142 28.10385 18.43457 28.10385 18.43457 -0.000000 0.000000 
1 1 1 17 1  1  o 174.2531 6.836839 304.0754   23.82681 304.0754   23.82681 ?          ?        174.2531 6.836839 ?        ?        ?         ?        
1 1 1 17 1  2  o 304.4665 9.316379 929.2455   56.73050 929.2455   56.73050 ?          ?        304.4665 9.316379 ?        ?        ?         ?        
1 1 1 17 1  3  o 467.9366 13.76022 2201.711   128.7782 2201.711   128.7782 ?          ?        467.9366 13.76022 ?        ?        ?         ?        
1 1 1 17 1  4  o 342.9388 10.50446 1178.860   72.04772 1178.860   72.04772 ?          ?        342.9388 10.50446 ?        ?        ?         ?        
1 1 1 17 1  5  f 170.4960 8.152079 291.0274   27.79794 291.0274   27.79794 ?          ?        170.4960 8.152079 ?        ?        ?         ?        
1 1 1 17 1  6  o 267.4854 8.589575 716.5062   45.95170 716.5062   45.95170 ?          ?        267.4854 8.589575 ?        ?        ?         ?        
1 1 1 17 1  7  o 208.3156 8.306050 434.5556   34.60560 434.5556   34.60560 ?          ?        208.3156 8.306050 ?        ?        ?         ?        
1 1 1 17 1  8  o 167.8046 7.268607 281.9506   24.39412 281.9506   24.39412 ?          ?        167.8046 7.268607 ?        ?        ?         ?        
1 1 1 17 1  9  o 166.2440 7.507463 276.8448   24.96142 276.8448   24.96142 ?          ?        166.2440 7.507463 ?        ?        ?         ?        
1 1 1 17 1  10 f 241.8291 9.383567 586.5934   45.38440 586.5934   45.38440 ?          ?        241.8291 9.383567 ?        ?        ?         ?        
1 1 1 17 1  11 o 222.4332 7.651353 495.8246   34.03830 495.8246   34.03830 ?          ?        222.4332 7.651353 ?        ?        ?         ?        
1 1 1 17 1  12 o 173.6528 7.513853 302.3735   26.09603 302.3735   26.09603 ?          ?        173.6528 7.513853 ?        ?        ?         ?        
1 1 1 17 1  13 o 240.5258 7.783391 580.9203   37.44213 580.9203   37.44213 ?          ?        240.5258 7.783391 ?        ?        ?         ?        
1 1 1 17 1  14 o 65.70024 14.62823 45.95170   18.72106 45.95170   18.72106 ?          ?        65.70024 14.62823 ?        ?        ?         ?        
1 1 1 17 1  15 o 167.9434 7.093703 284.2198   23.82681 284.2198   23.82681 ?          ?        167.9434 7.093703 ?        ?        ?         ?        
1 1 1 17 1  16 f 81.51584 10.43917 68.07660   17.01915 68.07660   17.01915 ?          ?        81.51584 10.43917 ?        ?        ?         ?        
1 1 1 17 1  17 o 196.6697 7.355621 392.5750   28.93255 392.5750   28.93255 ?          ?        196.6697 7.355621 ?        ?        ?         ?        
1 1 1 17 1  18 o 28.12579 13.05031 -13.04801  17.58645 -13.04801  17.58645 ?          ?        28.12579 13.05031 ?        ?        ?         ?        
1 1 1 17 2  0  o 206.0659 16.02062 433.9883   65.24007 433.9883   65.24007 433.9883   65.24007 206.0659 16.02062 206.0659 16.02062 -0.000000 0.000000 
1 1 1 17 2  1  o 321.1950 7.948046 1033.630   51.05745 1033.630   51.05745 ?          ?        321.1950 7.948046 ?        ?        ?         ?        
1 1 1 17 2  2  o 131.8889 6.667148 174.1626   17.58645 174.1626   17.58645 ?          ?        131.8889 6.667148 ?        ?        ?         ?        
1 1 1 17 2  3  o 128.7428 9.914624 166.2204   25.52872 166.2204   25.52872 ?          ?        128.7428 9.914624 ?        ?        ?         ?        
1 1 1 17 2  4  o 196.1380 7.809417 385.2001   30.63447 385.2001   30.63447 ?          ?        196.1380 7.809417 ?        ?        ?         ?        
1 1 1 17 2  5  o 257.1003 9.488169 662.0449   48.78823 662.0449   48.78823 ?          ?        257.1003 9.488169 ?        ?        ?         ?        
1 1 1 17 2  6  o 212.3992 7.077986 451.5747   30.06716 451.5747   30.06716 ?          ?        212.3992 7.077986 ?        ?        ?         ?        
1 1 1 17 2  7  o 170.0562 11.00875 289.8928   37.44213 289.8928   37.44213 ?          ?        170.0562 11.00875 ?        ?        ?         ?        
1 1 1 17 2  8  o 280.2978 10.92926 787.9866   61.26894 787.9866   61.26894 ?          ?        280.2978 10.92926 ?        ?        ?         ?        
1 1 1 17 2  9  o 230.1128 7.519269 530.4301   34.60560 530.4301   34.60560 ?          ?        230.1128 7.519269 ?        ?        ?         ?        
1 1 1 17 2  10 o 151.4151 7.868041 229.7585   23.82681 229.7585   23.82681 ?          ?        151.4151 7.868041 ?        ?        ?         ?        
1 1 1 17 2  11 o 87.28241 12.02435 76.58617   20.99029 76.58617   20.99029 ?          ?        87.28241 12.02435 ?        ?        ?         ?        
1 1 1 17 2  12 o 142.8885 7.940526 204.7971   22.69220 204.7971   22.69220 ?          ?        142.8885 7.940526 ?        ?        ?         ?        
1 1 1 17 2  13 o 154.6114 7.521926 239.9700   23.25950 239.9700   23.25950 ?          ?        154.6114 7.521926 ?        ?        ?         ?        
1 1 1 17 2  14 o 192.1585 7.233077 371.5847   27.79794 371.5847   27.79794 ?          ?        192.1585 7.233077 ?        ?        ?         ?        
1 1 1 17 2  15 o 154.0544 7.549121 239.4027   23.25950 239.4027   23.25950 ?          ?        154.0544 7.549121 ?        ?        ?         ?        
1 1 1 17 2  16 o 130.0396 7.634470 171.3261   19.85567 171.3261   19.85567 ?          ?        130.0396 7.634470 ?        ?        ?         ?        
1 1 1 17 2  17 o 76.61642 11.10672 60.70163   17.01915 60.70163   17.01915 ?          ?        76.61642 11.10672 ?        ?        ?         ?        
1 1 1 17 2  18 f 52.54224 15.28234 30.63447   17.01915 30.63447   17.01915 ?          ?        52.54224 15.28234 ?        ?        ?         ?        
1 1 1 17 3  1  o 75.82243 13.58546 59.56702   19.85567 59.56702   19.85567 ?          ?        75.82243 13.58546 ?        ?        ?         ?        
1 1 1 17 3  2  o 205.3922 8.148067 422.6422   33.47099 422.6422   33.47099 ?          ?        205.3922 8.148067 ?        ?        ?         ?        
1 1 1 17 3  3  o 398.9650 10.66456 1596.963   85.09574 1596.963   85.09574 ?          ?        398.9650 10.66456 ?        ?        ?         ?        
1 1 1 17 3  4  o 638.5494 18.16834 4105.586   232.0277 4105.586   232.0277 ?          ?        638.5494 18.16834 ?        ?        ?         ?        
1 1 1 17 3  5  o 101.2273 10.92832 102.6822   22.12490 102.6822   22.12490 ?          ?        101.2273 10.92832 ?        ?        ?         ?        
1 1 1 17 3  6  o 556.4951 18.29868 3117.341   203.6625 3117.341   203.6625 ?          ?        556.4951 18.29868 ?        ?        ?         ?        
1 1 1 17 3  7  o 102.3329 10.53307 104.9514   21.55759 104.9514   21.55759 ?          ?        102.3329 10.53307 ?        ?        ?         ?        
1 1 1 17 3  8  o 294.1268 11.57266 867.9766   68.07660 867.9766   68.07660 ?          ?        294.1268 11.57266 ?        ?        ?         ?        
1 1 1 17 3  9  o 293.0642 9.388487 861.1690   55.02858 861.1690   55.02858 ?          ?        293.0642 9.388487 ?        ?        ?         ?        
1 1 1 17 3  10 o 213.3535 7.578123 456.1132   32.33638 456.1132   32.33638 ?          ?        213.3535 7.578123 ?        ?        ?         ?        
1 1 1 17 3  11 o 189.5799 7.929945 360.2386   30.06716 360.2386   30.06716 ?          ?        189.5799 7.929945 ?        ?        ?         ?        
1 1 1 17 3  12 o 92.84085 11.91549 86.79766   22.12490 86.79766   22.12490 ?          ?        92.84085 11.91549 ?        ?        ?         ?        
1 1 1 17 3  13 o 269.6046 8.101211 730.1215   43.68248 730.1215   43.68248 ?          ?        269.6046 8.101211 ?        ?        ?         ?        
1 1 1 17 3  14 o 337.7058 9.407324 1152.764   63.53815 1152.764   63.53815 ?          ?        337.7058 9.407324 ?        ?        ?         ?        
1 1 1 17 3  15 o 128.8733 7.043259 167.3549   18.15376 167.3549   18.15376 ?          ?        128.8733 7.043259 ?        ?        ?         ?        
1 1 1 17 3  16 o 97.71225 8.418517 97.00916   16.45185 97.00916   16.45185 ?          ?        97.71225 8.418517 ?        ?        ?         ?        
1 1 1 17 3  17 o 124.4460 7.293828 157.1435   18.15376 157.1435   18.15376 ?          ?        124.4460 7.293828 ?        ?        ?         ?        
1 1 1 17 3  18 o 82.25642 10.69002 70.34581   17.58645 70.34581   17.58645 ?          ?        82.25642 10.69002 ?        ?        ?         ?        
1 1 1 17 4  0  o 69.47612 32.09317 71.48043   48.78823 71.48043   48.78823 71.48043   48.78823 69.47612 32.09317 69.47612 32.09317 -0.000000 0.000000 
1 1 1 17 4  1  f 194.0033 11.55060 377.8251   44.81709 377.8251   44.81709 ?          ?        194.0033 11.55060 ?        ?        ?         ?        
1 1 1 17 4  2  o 396.1724 12.10010 1575.973   95.87454 1575.973   95.87454 ?          ?        396.1724 12.10010 ?        ?        ?         ?        
1 1 1 17 4  3  o 443.8205 13.03795 1979.327   115.7302 1979.327   115.7302 ?          ?        443.8205 13.03795 ?        ?        ?         ?        
1 1 1 17 4  4  f 742.4071 24.41436 5578.877   362.5079 5578.877   362.5079 ?          ?        742.4071 24.41436 ?        ?        ?         ?        
1 1 1 17 4  5  o 237.7963 8.469149 566.1703   40.27865 566.1703   40.27865 ?          ?        237.7963 8.469149 ?        ?        ?         ?        
1 1 1 17 4  6  o 401.7091 13.55739 1619.656   108.9226 1619.656   108.9226 ?          ?        401.7091 13.55739 ?        ?        ?         ?        
1 1 1 17 4  7  o 201.4177 7.886366 406.1903   31.76908 406.1903   31.76908 ?          ?        201.4177 7.886366 ?        ?        ?         ?        
1 1 1 17 4  8  o 226.6994 9.634449 515.1129   43.68248 515.1129   43.68248 ?          ?        226.6994 9.634449 ?        ?        ?         ?        
1 1 1 17 4  9  o 262.1830 10.81888 689.8428   56.73050 689.8428   56.73050 ?          ?        262.1830 10.81888 ?        ?        ?         ?        
1 1 1 17 4  10 o 352.2014 9.100684 1244.100   64.10546 1244.100   64.10546 ?          ?        352.2014 9.100684 ?        ?        ?         ?        
1 1 1 17 4  11 o 71.67342 13.15554 53.32666   18.15376 53.32666   18.15376 ?          ?        71.67342 13.15554 ?        ?        ?         ?        
1 1 1 17 4  12 o 129.1026 9.008145 167.3549   23.25950 167.3549   23.25950 ?          ?        129.1026 9.008145 ?        ?        ?         ?        
1 1 1 17 4  13 o 206.5414 7.690730 428.3152   31.76908 428.3152   31.76908 ?          ?        206.5414 7.690730 ?        ?        ?         ?        
1 1 1 17 4  14 o 115.6739 8.582610 135.0186   19.85567 135.0186   19.85567 ?          ?        115.6739 8.582610 ?        ?        ?         ?        
1 1 1 17 4  15 f 94.11736 8.740069 89.63419   16.45185 89.63419   16.45185 ?          ?        94.11736 8.740069 ?        ?        ?         ?        
1 1 1 17 4  16 f 115.9660 8.560990 136.7205   19.85567 136.7205   19.85567 ?          ?        115.9660 8.560990 ?        ?        ?         ?        
1 1 1 17 4  17 o 67.39494 12.67139 48.78823   16.45185 48.78823   16.45185 ?          ?        67.39494 12.67139 ?        ?        ?         ?        
1 1 1 17 4  18 o 72.69490 10.92548 55.02858   15.88454 55.02858   15.88454 ?          ?        72.69490 10.92548 ?        ?        ?         ?        
1 1 1 17 5  0  o 329.3934 11.91774 1091.495   78.28809 1091.495   78.28809 1091.495   78.28809 329.3934 11.91774 329.3934 11.91774 -0.000000 0.000000 
1 1 1 17 5  1  o 217.3799 6.654839 473.1324   28.93255 473.1324   28.93255 ?          ?        217.3799 6.654839 ?        ?        ?         ?        
1 1 1 17 5  2  o 296.7966 8.601419 882.7266   51.05745 882.7266   51.05745 ?          ?        296.7966 8.601419 ?        ?        ?         ?        
1 1 1 17 5  3  o 491.9987 16.43114 2438.844   161.6819 2438.844   161.6819 ?          ?        491.9987 16.43114 ?        ?        ?         ?        
1 1 1 17 5  4  o 164.4103 7.418670 270.6045   24.39412 270.6045   24.39412 ?          ?        164.4103 7.418670 ?        ?        ?         ?        
1 1 1 17 5  5  o 343.1088 14.88083 1181.696   102.1149 1181.696   102.1149 ?          ?        343.1088 14.88083 ?        ?        ?         ?        
1 1 1 17 5  6  o 189.2418 7.494444 358.5367   28.36525 358.5367   28.36525 ?          ?        189.2418 7.494444 ?        ?        ?         ?        
1 1 1 17 5  7  o 226.8310 7.628060 515.1129   34.60560 515.1129   34.60560 ?          ?        226.8310 7.628060 ?        ?        ?         ?        
1 1 1 17 5  8  o 171.4606 7.775352 294.4313   26.66333 294.4313   26.66333 ?          ?        171.4606 7.775352 ?        ?        ?         ?        
1 1 1 17 5  9  o 886.6268 27.70535 8043.817   491.2861 8043.817   491.2861 ?          ?        886.6268 27.70535 ?        ?        ?         ?        
1 1 1 17 5  10 o 222.8194 7.638091 497.5265   34.03830 497.5265   34.03830 ?          ?        222.8194 7.638091 ?        ?        ?         ?        
1 1 1 17 5  11 o 163.1177 7.477459 266.6333   24.39412 266.6333   24.39412 ?          ?        163.1177 7.477459 ?        ?        ?         ?        
1 1 1 17 5  12 o 194.5643 8.893100 380.0943   34.60560 380.0943   34.60560 ?          ?        194.5643 8.893100 ?        ?        ?         ?        
1 1 1 17 5  13 o 354.2095 10.73078 1264.523   76.01886 1264.523   76.01886 ?          ?        354.2095 10.73078 ?        ?        ?         ?        
1 1 1 17 5  14 o 162.4935 7.855304 266.0660   25.52872 266.0660   25.52872 ?          ?        162.4935 7.855304 ?        ?        ?         ?        
1 1 1 17 5  15 o 110.5084 8.983783 123.6725   19.85567 123.6725   19.85567 ?          ?        110.5084 8.983783 ?        ?        ?         ?        
1 1 1 17 5  16 o 192.3139 7.374727 374.4213   28.36525 374.4213   28.36525 ?          ?        192.3139 7.374727 ?        ?        ?         ?        
1 1 1 17 5  17 o 42.68510 15.68993 16.45185   17.58645 16.45185   17.58645 ?          ?        42.68510 15.68993 ?        ?        ?         ?        
1 1 1 17 5  18 o 57.00315 15.15914 36.30752   17.58645 36.30752   17.58645 ?          ?        57.00315 15.15914 ?        ?        ?         ?        
1 1 1 17 6  0  o 46.04535 27.66300 23.25950   44.81709 23.25950   44.81709 23.25950   44.81709 46.04535 27.66300 46.04535 27.66300 -0.000000 0.000000 
1 1 1 17 6  1  o 332.3861 6.827060 1106.245   45.38440 1106.245   45.38440 ?          ?        332.3861 6.827060 ?        ?        ?         ?        
1 1 1 17 6  2  f 142.5677 12.93239 204.2298   36.87482 204.2298   36.87482 ?          ?        142.5677 12.93239 ?        ?        ?         ?        
1 1 1 17 6  3  o 367.9591 9.173478 1356.994   67.50929 1356.994   67.50929 ?          ?        367.9591 9.173478 ?        ?        ?         ?        
1 1 1 17 6  4  o 383.8008 12.93358 1477.829   99.27837 1477.829   99.27837 ?          ?        383.8008 12.93358 ?        ?        ?         ?        
1 1 1 17 6  5  o 351.1230 12.52158 1236.157   87.93227 1236.157   87.93227 ?          ?        351.1230 12.52158 ?        ?        ?         ?        
1 1 1 17 6  6  o 109.5884 8.282704 120.2687   18.15376 120.2687   18.15376 ?          ?        109.5884 8.282704 ?        ?        ?         ?        
1 1 1 17 6  7  o 58.03607 14.25752 35.17290   16.45185 35.17290   16.45185 ?          ?        58.03607 14.25752 ?        ?        ?         ?        
1 1 1 17 6  8  o 162.7987 8.363287 265.4987   27.23064 265.4987   27.23064 ?          ?        162.7987 8.363287 ?        ?        ?         ?        
1 1 1 17 6  9  o 311.1118 10.66734 971.2261   66.37468 971.2261   66.37468 ?          ?        311.1118 10.66734 ?        ?        ?         ?        
1 1 1 17 6  10 o 227.4532 7.856608 518.5167   35.74022 518.5167   35.74022 ?          ?        227.4532 7.856608 ?        ?        ?         ?        
1 1 1 17 6  11 o 241.6236 8.569791 585.4587   41.41326 585.4587   41.41326 ?          ?        241.6236 8.569791 ?        ?        ?         ?        
1 1 1 17 6  12 o 263.5076 8.826880 697.2178   46.51900 697.2178   46.51900 ?          ?        263.5076 8.826880 ?        ?        ?         ?        
1 1 1 17 6  13 o 244.4885 8.585387 600.7759   41.98057 600.7759   41.98057 ?          ?        244.4885 8.585387 ?        ?        ?         ?        
1 1 1 17 6  14 f 138.7685 7.767466 194.0183   21.55759 194.0183   21.55759 ?          ?        138.7685 7.767466 ?        ?        ?         ?        
1 1 1 17 6  15 o 203.9767 7.509305 419.8057   30.63447 419.8057   30.63447 ?          ?        203.9767 7.509305 ?        ?        ?         ?        
1 1 1 17 6  16 o 208.3979 7.758328 440.2286   32.33638 440.2286   32.33638 ?          ?        208.3979 7.758328 ?        ?        ?         ?        
1 1 1 17 6  17 o 120.1420 8.027319 146.9320   19.28837 146.9320   19.28837 ?          ?        120.1420 8.027319 ?        ?        ?         ?        
1 1 1 17 7  0  o 368.5807 17.16441 1372.878   125.9417 1372.878   125.9417 1372.878   125.9417 368.5807 17.16441 368.5807 17.16441 -0.000000 0.000000 
1 1 1 17 7  1  o 126.8160 8.052212 161.1146   20.42298 161.1146   20.42298 ?          ?        126.8160 8.052212 ?        ?        ?         ?        
1 1 1 17 7  2  o 294.8786 10.86981 872.5150   64.10546 872.5150   64.10546 ?          ?        294.8786 10.86981 ?        ?        ?         ?        
1 1 1 17 7  3  o 178.7198 8.253102 319.9600   29.49986 319.9600   29.49986 ?          ?        178.7198 8.253102 ?        ?        ?         ?        
1 1 1 17 7  4  o 803.9265 22.89892 6527.411   368.1809 6527.411   368.1809 ?          ?        803.9265 22.89892 ?        ?        ?         ?        
1 1 1 17 7  5  o 806.3076 26.77137 6580.171   431.7191 6580.171   431.7191 ?          ?        806.3076 26.77137 ?        ?        ?         ?        
1 1 1 17 7  6  o 264.5241 9.865273 701.1889   52.19205 701.1889   52.19205 ?          ?        264.5241 9.865273 ?        ?        ?         ?        
1 1 1 17 7  7  o 157.1945 7.037426 247.3450   22.12490 247.3450   22.12490 ?          ?        157.1945 7.037426 ?        ?        ?         ?        
1 1 1 17 7  8  o 265.8735 7.894838 707.9966   41.98057 707.9966   41.98057 ?          ?        265.8735 7.894838 ?        ?        ?         ?        
1 1 1 17 7  9  o 368.1481 13.94577 1363.234   102.6822 1363.234   102.6822 ?          ?        368.1481 13.94577 ?        ?        ?         ?        
1 1 1 17 7  10 o 415.0165 15.44649 1737.655   128.2109 1737.655   128.2109 ?          ?        415.0165 15.44649 ?        ?        ?         ?        
1 1 1 17 7  11 o 212.6096 8.405128 453.2767   35.74022 453.2767   35.74022 ?          ?        212.6096 8.405128 ?        ?        ?         ?        
1 1 1 17 7  12 o 238.0274 8.937598 569.0069   42.54787 569.0069   42.54787 ?          ?        238.0274 8.937598 ?        ?        ?         ?        
1 1 1 17 7  13 o 316.7957 9.849180 1010.370   62.40355 1010.370   62.40355 ?          ?        316.7957 9.849180 ?        ?        ?         ?        
1 1 1 17 7  14 o 313.1810 9.147713 991.0818   57.29780 991.0818   57.29780 ?          ?        313.1810 9.147713 ?        ?        ?         ?        
1 1 1 17 7  15 o 214.6664 7.663911 465.1901   32.90369 465.1901   32.90369 ?          ?        214.6664 7.663911 ?        ?        ?         ?        
1 1 1 17 7  16 o 250.6462 8.148130 637.6508   40.84595 637.6508   40.84595 ?          ?        250.6462 8.148130 ?        ?        ?         ?        
1 1 1 17 7  17 o 164.5456 7.584956 275.1429   24.96142 275.1429   24.96142 ?          ?        164.5456 7.584956 ?        ?        ?         ?        
1 1 1 17 8  0  o 362.7684 16.17653 1328.628   116.8648 1328.628   116.8648 1328.628   116.8648 362.7684 16.17653 362.7684 16.17653 -0.000000 0.000000 
1 1 1 17 8  1  o 192.4323 8.254611 371.0175   31.76908 371.0175   31.76908 ?          ?        192.4323 8.254611 ?        ?        ?         ?        
1 1 1 17 8  2  o 219.3602 5.689597 481.6419   24.96142 481.6419   24.96142 ?          ?        219.3602 5.689597 ?        ?        ?         ?        
1 1 1 17 8  3  o 164.0478 7.435064 269.4698   24.39412 269.4698   24.39412 ?          ?        164.0478 7.435064 ?        ?        ?         ?        
1 1 1 17 8  4  o 469.5220 13.95541 2212.489   131.0475 2212.489   131.0475 ?          ?        469.5220 13.95541 ?        ?        ?         ?        
1 1 1 17 8  5  o 417.5394 12.29611 1747.867   102.6822 1747.867   102.6822 ?          ?        417.5394 12.29611 ?        ?        ?         ?        
1 1 1 17 8  6  o 215.6474 8.418261 465.7574   36.30752 465.7574   36.30752 ?          ?        215.6474 8.418261 ?        ?        ?         ?        
1 1 1 17 8  7  o 151.8378 8.593388 230.8931   26.09603 230.8931   26.09603 ?          ?        151.8378 8.593388 ?        ?        ?         ?        
1 1 1 17 8  8  o 110.7137 13.06639 123.1052   28.93255 123.1052   28.93255 ?          ?        110.7137 13.06639 ?        ?        ?         ?        
1 1 1 17 8  9  o 520.4299 19.23973 2738.381   200.2587 2738.381   200.2587 ?          ?        520.4299 19.23973 ?        ?        ?         ?        
1 1 1 17 8  10 o 250.7736 7.691546 630.2758   38.57674 630.2758   38.57674 ?          ?        250.7736 7.691546 ?        ?        ?         ?        
1 1 1 17 8  11 o 145.0745 8.211924 211.0374   23.82681 211.0374   23.82681 ?          ?        145.0745 8.211924 ?        ?        ?         ?        
1 1 1 17 8  12 o 193.0579 7.493231 373.8540   28.93255 373.8540   28.93255 ?          ?        193.0579 7.493231 ?        ?        ?         ?        
1 1 1 17 8  13 o 133.0878 8.951541 178.1338   23.82681 178.1338   23.82681 ?          ?        133.0878 8.951541 ?        ?        ?         ?        
1 1 1 17 8  14 o 249.4723 11.14270 631.9777   55.59589 631.9777   55.59589 ?          ?        249.4723 11.14270 ?        ?        ?         ?        
1 1 1 17 8  15 o 95.81510 10.95354 93.60532   20.99029 93.60532   20.99029 ?          ?        95.81510 10.95354 ?        ?        ?         ?        
1 1 1 17 8  16 o 43.19020 16.84241 13.61532   20.99029 13.61532   20.99029 ?          ?        43.19020 16.84241 ?        ?        ?         ?        
1 1 1 17 8  17 o 63.16727 17.41164 44.81709   22.69220 44.81709   22.69220 ?          ?        63.16727 17.41164 ?        ?        ?         ?        
1 1 1 17 9  0  o 387.2473 11.81723 1506.762   91.33610 1506.762   91.33610 1506.762   91.33610 387.2473 11.81723 387.2473 11.81723 -0.000000 0.000000 
1 1 1 17 9  1  o 280.1682 7.694518 786.2847   43.11518 786.2847   43.11518 ?          ?        280.1682 7.694518 ?        ?        ?         ?        
1 1 1 17 9  2  o 361.7680 7.840729 1311.042   56.73050 1311.042   56.73050 ?          ?        361.7680 7.840729 ?        ?        ?         ?        
1 1 1 17 9  3  o 646.7496 18.68358 4215.076   241.6719 4215.076   241.6719 ?          ?        646.7496 18.68358 ?        ?        ?         ?        
1 1 1 17 9  4  o 604.5679 14.07547 3668.194   170.1915 3668.194   170.1915 ?          ?        604.5679 14.07547 ?        ?        ?         ?        
1 1 1 17 9  5  o 131.6627 9.048429 173.5953   23.82681 173.5953   23.82681 ?          ?        131.6627 9.048429 ?        ?        ?         ?        
1 1 1 17 9  6  o 325.9750 14.70581 1067.668   95.87454 1067.668   95.87454 ?          ?        325.9750 14.70581 ?        ?        ?         ?        
1 1 1 17 9  7  o 562.8090 18.84938 3191.090   212.1721 3191.090   212.1721 ?          ?        562.8090 18.84938 ?        ?        ?         ?        
1 1 1 17 9  8  o 467.1344 17.30572 2198.874   161.6819 2198.874   161.6819 ?          ?        467.1344 17.30572 ?        ?        ?         ?        
1 1 1 17 9  9  o 184.7524 8.597743 342.0849   31.76908 342.0849   31.76908 ?          ?        184.7524 8.597743 ?        ?        ?         ?        
1 1 1 17 9  10 f 119.2070 12.61133 142.9609   30.06716 142.9609   30.06716 ?          ?        119.2070 12.61133 ?        ?        ?         ?        
1 1 1 17 9  11 o 56.18446 20.35303 26.66333   29.49986 26.66333   29.49986 ?          ?        56.18446 20.35303 ?        ?        ?         ?        
1 1 1 17 9  12 f 252.2753 10.00695 639.9200   50.49014 639.9200   50.49014 ?          ?        252.2753 10.00695 ?        ?        ?         ?        
1 1 1 17 9  13 o 377.6646 15.17161 1450.599   114.5956 1450.599   114.5956 ?          ?        377.6646 15.17161 ?        ?        ?         ?        
1 1 1 17 9  14 o 306.6519 9.989982 951.9377   61.26894 951.9377   61.26894 ?          ?        306.6519 9.989982 ?        ?        ?         ?        
1 1 1 17 9  15 o 146.9115 7.530009 217.8451   22.12490 217.8451   22.12490 ?          ?        146.9115 7.530009 ?        ?        ?         ?        
1 1 1 17 9  16 o 138.9642 7.756527 195.7202   21.55759 195.7202   21.55759 ?          ?        138.9642 7.756527 ?        ?        ?         ?        
1 1 1 17 9  17 o 133.8691 7.416077 182.1049   19.85567 182.1049   19.85567 ?          ?        133.8691 7.416077 ?        ?        ?         ?        
1 1 1 17 10 0  o 59.95910 16.95276 43.68248   17.58645 43.68248   17.58645 43.68248   17.58645 59.95910 16.95276 59.95910 16.95276 -0.000000 0.000000 
1 1 1 17 10 1  o 319.0351 7.379487 1019.447   47.08631 1019.447   47.08631 ?          ?        319.0351 7.379487 ?        ?        ?         ?        
1 1 1 17 10 2  o 268.0667 6.243034 719.3427   33.47099 719.3427   33.47099 ?          ?        268.0667 6.243034 ?        ?        ?         ?        
1 1 1 17 10 3  o 340.0547 7.924309 1157.870   53.89397 1157.870   53.89397 ?          ?        340.0547 7.924309 ?        ?        ?         ?        
1 1 1 17 10 4  o 694.8561 16.08377 4850.458   223.5181 4850.458   223.5181 ?          ?        694.8561 16.08377 ?        ?        ?         ?        
1 1 1 17 10 5  o 195.0025 7.709431 380.6616   30.06716 380.6616   30.06716 ?          ?        195.0025 7.709431 ?        ?        ?         ?        
1 1 1 17 10 6  o 123.2000 8.749023 152.0377   21.55759 152.0377   21.55759 ?          ?        123.2000 8.749023 ?        ?        ?         ?        
1 1 1 17 10 7  o 620.2540 22.63717 3890.010   280.8159 3890.010   280.8159 ?          ?        620.2540 22.63717 ?        ?        ?         ?        
1 1 1 17 10 8  o 100.8854 11.24653 102.1149   22.69220 102.1149   22.69220 ?          ?        100.8854 11.24653 ?        ?        ?         ?        
1 1 1 17 10 9  o 399.7685 13.33939 1606.608   106.6533 1606.608   106.6533 ?          ?        399.7685 13.33939 ?        ?        ?         ?        
1 1 1 17 10 10 o 300.1786 12.00081 905.9860   72.04772 905.9860   72.04772 ?          ?        300.1786 12.00081 ?        ?        ?         ?        
1 1 1 17 10 11 o 47.99784 16.31201 21.55759   18.72106 21.55759   18.72106 ?          ?        47.99784 16.31201 ?        ?        ?         ?        
1 1 1 17 10 12 o 430.3423 16.93970 1881.183   145.7974 1881.183   145.7974 ?          ?        430.3423 16.93970 ?        ?        ?         ?        
1 1 1 17 10 13 o 178.2923 7.795608 319.3927   27.79794 319.3927   27.79794 ?          ?        178.2923 7.795608 ?        ?        ?         ?        
1 1 1 17 10 14 o 389.3995 14.64156 1556.117   114.0283 1556.117   114.0283 ?          ?        389.3995 14.64156 ?        ?        ?         ?        
1 1 1 17 10 15 o 100.3326 9.329502 102.1149   18.72106 102.1149   18.72106 ?          ?        100.3326 9.329502 ?        ?        ?         ?        
1 1 1 17 10 16 o 95.17772 9.536770 92.47070   18.15376 92.47070   18.15376 ?          ?        95.17772 9.536770 ?        ?        ?         ?        
1 1 1 17 10 17 o 71.21637 11.55061 52.75936   16.45185 52.75936   16.45185 ?          ?        71.21637 11.55061 ?        ?        ?         ?        
1 1 1 17 11 0  o 72.70077 16.08479 60.13433   20.42298 60.13433   20.42298 60.13433   20.42298 72.70077 16.08479 72.70077 16.08479 -0.000000 0.000000 
1 1 1 17 11 1  o 209.3996 7.043915 439.0940   29.49986 439.0940   29.49986 ?          ?        209.3996 7.043915 ?        ?        ?         ?        
1 1 1 17 11 2  o 309.6175 7.329107 959.8799   45.38440 959.8799   45.38440 ?          ?        309.6175 7.329107 ?        ?        ?         ?        
1 1 1 17 11 3  o 166.6726 5.786304 277.9794   19.28837 277.9794   19.28837 ?          ?        166.6726 5.786304 ?        ?        ?         ?        
1 1 1 17 11 4  o 655.3019 18.61288 4320.027   243.9411 4320.027   243.9411 ?          ?        655.3019 18.61288 ?        ?        ?         ?        
1 1 1 17 11 5  o 318.4664 8.194281 1015.476   52.19205 1015.476   52.19205 ?          ?        318.4664 8.194281 ?        ?        ?         ?        
1 1 1 17 11 6  o 728.3518 24.02872 5370.676   350.0272 5370.676   350.0272 ?          ?        728.3518 24.02872 ?        ?        ?         ?        
1 1 1 17 11 7  o 305.8328 11.87169 938.3224   72.61504 938.3224   72.61504 ?          ?        305.8328 11.87169 ?        ?        ?         ?        
1 1 1 17 11 8  o 169.6906 10.19668 288.7582   34.60560 288.7582   34.60560 ?          ?        169.6906 10.19668 ?        ?        ?         ?        
1 1 1 17 11 9  o 311.1064 8.752837 970.0915   54.46128 970.0915   54.46128 ?          ?        311.1064 8.752837 ?        ?        ?         ?        
1 1 1 17 11 10 o 150.4628 7.917840 226.9220   23.82681 226.9220   23.82681 ?          ?        150.4628 7.917840 ?        ?        ?         ?        
1 1 1 17 11 11 o 160.4410 7.779002 258.1238   24.96142 258.1238   24.96142 ?          ?        160.4410 7.779002 ?        ?        ?         ?        
1 1 1 17 11 12 o 422.7923 16.70548 1815.376   141.2589 1815.376   141.2589 ?          ?        422.7923 16.70548 ?        ?        ?         ?        
1 1 1 17 11 13 o 260.2791 8.282488 681.3333   43.11518 681.3333   43.11518 ?          ?        260.2791 8.282488 ?        ?        ?         ?        
1 1 1 17 11 14 o 114.6328 9.155445 132.7494   20.99029 132.7494   20.99029 ?          ?        114.6328 9.155445 ?        ?        ?         ?        
1 1 1 17 11 15 o 155.7970 7.646749 245.0758   23.82681 245.0758   23.82681 ?          ?        155.7970 7.646749 ?        ?        ?         ?        
1 1 1 17 11 16 o 145.4906 7.408586 214.4413   21.55759 214.4413   21.55759 ?          ?        145.4906 7.408586 ?        ?        ?         ?        
1 1 1 17 11 17 o 31.53352 13.53145 0.5673050  15.31723 0.5673050  15.31723 ?          ?        31.53352 13.53145 ?        ?        ?         ?        
1 1 1 17 12 0  o 450.8435 13.36408 2042.865   120.2687 2042.865   120.2687 2042.865   120.2687 450.8435 13.36408 450.8435 13.36408 -0.000000 0.000000 
1 1 1 17 12 1  o 328.4508 8.290630 1080.716   54.46128 1080.716   54.46128 ?          ?        328.4508 8.290630 ?        ?        ?         ?        
1 1 1 17 12 2  o 279.5347 7.306061 782.3135   40.84595 782.3135   40.84595 ?          ?        279.5347 7.306061 ?        ?        ?         ?        
1 1 1 17 12 3  o 502.1080 11.97637 2527.911   120.2687 2527.911   120.2687 ?          ?        502.1080 11.97637 ?        ?        ?         ?        
1 1 1 17 12 4  o 425.4797 11.26664 1814.241   95.87454 1814.241   95.87454 ?          ?        425.4797 11.26664 ?        ?        ?         ?        
1 1 1 17 12 5  o 112.4128 7.569931 126.5090   17.01915 126.5090   17.01915 ?          ?        112.4128 7.569931 ?        ?        ?         ?        
1 1 1 17 12 6  o 388.6451 11.67759 1514.704   90.76879 1514.704   90.76879 ?          ?        388.6451 11.67759 ?        ?        ?         ?        
1 1 1 17 12 7  o 122.9737 8.303801 151.4704   20.42298 151.4704   20.42298 ?          ?        122.9737 8.303801 ?        ?        ?         ?        
1 1 1 17 12 8  o 215.9234 7.093829 466.8920   30.63447 466.8920   30.63447 ?          ?        215.9234 7.093829 ?        ?        ?         ?        
1 1 1 17 12 9  o 210.4373 7.683140 443.6324   32.33638 443.6324   32.33638 ?          ?        210.4373 7.683140 ?        ?        ?         ?        
1 1 1 17 12 10 o 249.5163 7.957667 624.0355   39.71135 624.0355   39.71135 ?          ?        249.5163 7.957667 ?        ?        ?         ?        
1 1 1 17 12 11 o 107.5884 10.01855 116.2975   21.55759 116.2975   21.55759 ?          ?        107.5884 10.01855 ?        ?        ?         ?        
1 1 1 17 12 12 o 242.7003 7.830529 591.1317   38.00943 591.1317   38.00943 ?          ?        242.7003 7.830529 ?        ?        ?         ?        
1 1 1 17 12 13 o 180.4315 7.860392 327.3350   28.36525 327.3350   28.36525 ?          ?        180.4315 7.860392 ?        ?        ?         ?        
1 1 1 17 12 14 o 55.77523 15.96556 32.90369   18.72106 32.90369   18.72106 ?          ?        55.77523 15.96556 ?        ?        ?         ?        
1 1 1 17 12 15 o 218.2744 7.667181 481.0746   33.47099 481.0746   33.47099 ?          ?        218.2744 7.667181 ?        ?        ?         ?        
1 1 1 17 12 16 o 56.93520 19.46700 34.03830   26.66333 34.03830   26.66333 ?          ?        56.93520 19.46700 ?        ?        ?         ?        
1 1 1 17 12 17 o 157.5844 7.740016 253.0180   24.39412 253.0180   24.39412 ?          ?        157.5844 7.740016 ?        ?        ?         ?        
1 1 1 17 13 0  o 74.91842 14.36577 61.83624   19.28837 61.83624   19.28837 61.83624   19.28837 74.91842 14.36577 74.91842 14.36577 -0.000000 0.000000 
1 1 1 17 13 1  o 267.7414 6.886277 717.6408   36.87482 717.6408   36.87482 ?          ?        267.7414 6.886277 ?        ?        ?         ?        
1 1 1 17 13 2  o 260.3395 7.299973 678.4968   38.00943 678.4968   38.00943 ?          ?        260.3395 7.299973 ?        ?        ?         ?        
1 1 1 17 13 3  o 674.1897 17.16582 4569.641   231.4604 4569.641   231.4604 ?          ?        674.1897 17.16582 ?        ?        ?         ?        
1 1 1 17 13 4  o 898.9587 20.76217 8140.259   373.2867 8140.259   373.2867 ?          ?        898.9587 20.76217 ?        ?        ?         ?        
1 1 1 17 13 5  o 636.8919 18.30470 4084.596   233.1623 4084.596   233.1623 ?          ?        636.8919 18.30470 ?        ?        ?         ?        
1 1 1 17 13 6  o 291.5503 9.437236 851.5248   55.02858 851.5248   55.02858 ?          ?        291.5503 9.437236 ?        ?        ?         ?        
1 1 1 17 13 7  o 518.1688 19.37843 2709.448   200.8260 2709.448   200.8260 ?          ?        518.1688 19.37843 ?        ?        ?         ?        
1 1 1 17 13 8  o 73.73166 15.13906 56.73050   21.55759 56.73050   21.55759 ?          ?        73.73166 15.13906 ?        ?        ?         ?        
1 1 1 17 13 9  o 288.0926 9.353585 832.2363   53.89397 832.2363   53.89397 ?          ?        288.0926 9.353585 ?        ?        ?         ?        
1 1 1 17 13 10 o 173.6445 8.821032 302.3735   30.63447 302.3735   30.63447 ?          ?        173.6445 8.821032 ?        ?        ?         ?        
1 1 1 17 13 11 o 148.7128 8.011017 221.8162   23.82681 221.8162   23.82681 ?          ?        148.7128 8.011017 ?        ?        ?         ?        
1 1 1 17 13 12 o 117.5557 9.651679 138.9897   22.69220 138.9897   22.69220 ?          ?        117.5557 9.651679 ?        ?        ?         ?        
1 1 1 17 13 13 o 99.99255 10.49592 100.9803   20.99029 100.9803   20.99029 ?          ?        99.99255 10.49592 ?        ?        ?         ?        
1 1 1 17 13 14 o 287.3277 9.279764 834.5057   53.32666 834.5057   53.32666 ?          ?        287.3277 9.279764 ?        ?        ?         ?        
1 1 1 17 13 15 o 163.1553 7.823444 268.9026   25.52872 268.9026   25.52872 ?          ?        163.1553 7.823444 ?        ?        ?         ?        
1 1 1 17 13 16 o 116.8459 8.253767 138.9897   19.28837 138.9897   19.28837 ?          ?        116.8459 8.253767 ?        ?        ?         ?        
1 1 1 17 13 17 o 93.18823 10.04476 89.63419   18.72106 89.63419   18.72106 ?          ?        93.18823 10.04476 ?        ?        ?         ?        
1 1 1 17 14 0  o 51.80729 20.87606 37.44213   20.99029 37.44213   20.99029 37.44213   20.99029 51.80729 20.87606 51.80729 20.87606 -0.000000 0.000000 
1 1 1 17 14 1  o 599.8046 13.00498 3610.329   156.0089 3610.329   156.0089 ?          ?        599.8046 13.00498 ?        ?        ?         ?        
1 1 1 17 14 2  o 478.0185 12.57992 2291.912   120.2687 2291.912   120.2687 ?          ?        478.0185 12.57992 ?        ?        ?         ?        
1 1 1 17 14 3  o 770.3327 19.47888 5973.721   300.1043 5973.721   300.1043 ?          ?        770.3327 19.47888 ?        ?        ?         ?        
1 1 1 17 14 4  o 435.7950 10.41416 1902.741   90.76879 1902.741   90.76879 ?          ?        435.7950 10.41416 ?        ?        ?         ?        
1 1 1 17 14 5  o 416.8391 11.09189 1742.194   92.47070 1742.194   92.47070 ?          ?        416.8391 11.09189 ?        ?        ?         ?        
1 1 1 17 14 6  o 347.0515 9.644387 1206.658   66.94199 1206.658   66.94199 ?          ?        347.0515 9.644387 ?        ?        ?         ?        
1 1 1 17 14 7  f 541.4802 16.92024 2952.823   183.2395 2952.823   183.2395 ?          ?        541.4802 16.92024 ?        ?        ?         ?        
1 1 1 17 14 8  o 100.2847 11.59674 100.9803   23.25950 100.9803   23.25950 ?          ?        100.2847 11.59674 ?        ?        ?         ?        
1 1 1 17 14 9  o 181.9807 8.105216 331.8734   29.49986 331.8734   29.49986 ?          ?        181.9807 8.105216 ?        ?        ?         ?        
1 1 1 17 14 10 o 424.9157 13.68477 1817.645   116.2975 1817.645   116.2975 ?          ?        424.9157 13.68477 ?        ?        ?         ?        
1 1 1 17 14 11 o 292.6659 8.722820 859.4670   51.05745 859.4670   51.05745 ?          ?        292.6659 8.722820 ?        ?        ?         ?        
1 1 1 17 14 12 o 287.2857 7.997562 828.8326   45.95170 828.8326   45.95170 ?          ?        287.2857 7.997562 ?        ?        ?         ?        
1 1 1 17 14 13 o 109.9204 10.32210 121.9706   22.69220 121.9706   22.69220 ?          ?        109.9204 10.32210 ?        ?        ?         ?        
1 1 1 17 14 14 o 137.2719 8.058783 190.0471   22.12490 190.0471   22.12490 ?          ?        137.2719 8.058783 ?        ?        ?         ?        
1 1 1 17 14 15 o 136.9050 8.080383 189.4799   22.12490 189.4799   22.12490 ?          ?        136.9050 8.080383 ?        ?        ?         ?        
1 1 1 17 14 16 o 94.71695 9.583163 91.90340   18.15376 91.90340   18.15376 ?          ?        94.71695 9.583163 ?        ?        ?         ?        
1 1 1 17 14 17 o 159.6382 7.818122 259.8257   24.96142 259.8257   24.96142 ?          ?        159.6382 7.818122 ?        ?        ?         ?        
1 1 1 17 15 0  o 203.6303 8.247891 416.9691   33.47099 416.9691   33.47099 416.9691   33.47099 203.6303 8.247891 203.6303 8.247891 -0.000000 0.000000 
1 1 1 17 15 1  f 844.0215 18.01349 7168.465   304.0754 7168.465   304.0754 ?          ?        844.0215 18.01349 ?        ?        ?         ?        
1 1 1 17 15 2  f 229.9709 6.660509 529.2956   30.63447 529.2956   30.63447 ?          ?        229.9709 6.660509 ?        ?        ?         ?        
1 1 1 17 15 3  o 303.6927 6.724884 923.0052   40.84595 923.0052   40.84595 ?          ?        303.6927 6.724884 ?        ?        ?         ?        
1 1 1 17 15 4  o 307.7977 8.109683 948.5339   49.92284 948.5339   49.92284 ?          ?        307.7977 8.109683 ?        ?        ?         ?        
1 1 1 17 15 5  o 422.6812 11.20702 1791.549   94.73994 1791.549   94.73994 ?          ?        422.6812 11.20702 ?        ?        ?         ?        
1 1 1 17 15 6  o 487.1417 12.81014 2380.979   124.8071 2380.979   124.8071 ?          ?        487.1417 12.81014 ?        ?        ?         ?        
1 1 1 17 15 7  o 134.8382 7.993874 182.1049   21.55759 182.1049   21.55759 ?          ?        134.8382 7.993874 ?        ?        ?         ?        
1 1 1 17 15 8  o 248.6279 8.442450 619.4970   41.98057 619.4970   41.98057 ?          ?        248.6279 8.442450 ?        ?        ?         ?        
1 1 1 17 15 9  o 371.5587 12.29094 1387.628   91.33610 1387.628   91.33610 ?          ?        371.5587 12.29094 ?        ?        ?         ?        
1 1 1 17 15 10 f 382.2725 10.46243 1467.051   79.99000 1467.051   79.99000 ?          ?        382.2725 10.46243 ?        ?        ?         ?        
1 1 1 17 15 11 o 74.47147 14.61373 57.86510   20.99029 57.86510   20.99029 ?          ?        74.47147 14.61373 ?        ?        ?         ?        
1 1 1 17 15 12 o 175.0424 7.130108 307.4793   24.96142 307.4793   24.96142 ?          ?        175.0424 7.130108 ?        ?        ?         ?        
1 1 1 17 15 13 o 148.0493 8.813287 220.6816   26.09603 220.6816   26.09603 ?          ?        148.0493 8.813287 ?        ?        ?         ?        
1 1 1 17 15 14 o 247.6456 8.132316 618.9297   40.27865 618.9297   40.27865 ?          ?        247.6456 8.132316 ?        ?        ?         ?        
1 1 1 17 15 15 o 74.81924 11.75263 57.29780   17.58645 57.29780   17.58645 ?          ?        74.81924 11.75263 ?        ?        ?         ?        
1 1 1 17 15 16 o 38.39695 14.72172 11.34610   15.88454 11.34610   15.88454 ?          ?        38.39695 14.72172 ?        ?        ?         ?        
1 1 1 17 15 17 o 139.3866 7.733019 197.9895   21.55759 197.9895   21.55759 ?          ?        139.3866 7.733019 ?        ?        ?         ?        
1 1 1 17 16 0  o 241.3905 8.838938 585.4587   42.54787 585.4587   42.54787 585.4587   42.54787 241.3905 8.838938 241.3905 8.838938 -0.000000 0.000000 
1 1 1 17 16 1  o 215.7382 6.179557 465.7574   26.66333 465.7574   26.66333 ?          ?        215.7382 6.179557 ?        ?        ?         ?        
1 1 1 17 16 2  o 412.4613 9.902980 1704.184   81.69191 1704.184   81.69191 ?          ?        412.4613 9.902980 ?        ?        ?         ?        
1 1 1 17 16 3  o 439.4727 9.810662 1934.510   86.23035 1934.510   86.23035 ?          ?        439.4727 9.810662 ?        ?        ?         ?        
1 1 1 17 16 4  o 347.8432 8.725430 1211.763   60.70163 1211.763   60.70163 ?          ?        347.8432 8.725430 ?        ?        ?         ?        
1 1 1 17 16 5  o 847.2394 24.17228 7268.312   409.5942 7268.312   409.5942 ?          ?        847.2394 24.17228 ?        ?        ?         ?        
1 1 1 17 16 6  o 368.3755 10.78013 1360.397   79.42269 1360.397   79.42269 ?          ?        368.3755 10.78013 ?        ?        ?         ?        
1 1 1 17 16 7  o 232.4700 7.565041 541.2089   35.17290 541.2089   35.17290 ?          ?        232.4700 7.565041 ?        ?        ?         ?        
1 1 1 17 16 8  o 366.8130 10.74872 1350.186   78.85539 1350.186   78.85539 ?          ?        366.8130 10.74872 ?        ?        ?         ?        
1 1 1 17 16 9  o 397.7284 12.90858 1591.290   102.6822 1591.290   102.6822 ?          ?        397.7284 12.90858 ?        ?        ?         ?        
1 1 1 17 16 10 o 123.5012 10.79477 153.1723   26.66333 153.1723   26.66333 ?          ?        123.5012 10.79477 ?        ?        ?         ?        
1 1 1 17 16 11 o 156.5172 7.792789 245.6430   24.39412 245.6430   24.39412 ?          ?        156.5172 7.792789 ?        ?        ?         ?        
1 1 1 17 16 12 o 127.6917 8.885538 163.9511   22.69220 163.9511   22.69220 ?          ?        127.6917 8.885538 ?        ?        ?         ?        
1 1 1 17 16 13 o 111.9759 9.879307 126.5090   22.12490 126.5090   22.12490 ?          ?        111.9759 9.879307 ?        ?        ?         ?        
1 1 1 17 16 14 o 306.1382 10.00674 950.8031   61.26894 950.8031   61.26894 ?          ?        306.1382 10.00674 ?        ?        ?         ?        
1 1 1 17 16 15 o 203.0282 8.103230 416.9691   32.90369 416.9691   32.90369 ?          ?        203.0282 8.103230 ?        ?        ?         ?        
1 1 1 17 16 16 o 39.20838 15.19115 11.34610   17.01915 11.34610   17.01915 ?          ?        39.20838 15.19115 ?        ?        ?         ?        
1 1 1 17 16 17 o 162.8121 7.665712 270.0372   24.96142 270.0372   24.96142 ?          ?        162.8121 7.665712 ?        ?        ?         ?        
1 1 1 17 17 0  o 564.0368 16.22291 3196.763   182.6722 3196.763   182.6722 3196.763   182.6722 564.0368 16.22291 564.0368 16.22291 -0.000000 0.000000 
1 1 1 17 17 1  o 587.3748 11.97631 3458.859   140.6916 3458.859   140.6916 ?          ?        587.3748 11.97631 ?        ?        ?         ?        
1 1 1 17 17 2  f 585.5391 11.82008 3436.733   138.4224 3436.733   138.4224 ?          ?        585.5391 11.82008 ?        ?        ?         ?        
1 1 1 17 17 3  o 72.95995 10.10824 53.32666   14.74993 53.32666   14.74993 ?          ?        72.95995 10.10824 ?        ?        ?         ?        
1 1 1 17 17 4  o 263.8094 6.881393 696.6505   36.30752 696.6505   36.30752 ?          ?        263.8094 6.881393 ?        ?        ?         ?        
1 1 1 17 17 5  o 841.0596 21.44949 7140.101   360.8060 7140.101   360.8060 ?          ?        841.0596 21.44949 ?        ?        ?         ?        
1 1 1 17 17 6  o 187.5824 7.258315 352.2964   27.23064 352.2964   27.23064 ?          ?        187.5824 7.258315 ?        ?        ?         ?        
1 1 1 17 17 7  o 366.1966 9.992221 1344.513   73.18234 1344.513   73.18234 ?          ?        366.1966 9.992221 ?        ?        ?         ?        
1 1 1 17 17 8  o 326.2502 10.17236 1067.668   66.37468 1067.668   66.37468 ?          ?        326.2502 10.17236 ?        ?        ?         ?        
1 1 1 17 17 9  o 85.25105 13.64177 73.18234   23.25950 73.18234   23.25950 ?          ?        85.25105 13.64177 ?        ?        ?         ?        
1 1 1 17 17 10 o 360.3370 13.69705 1307.638   98.71106 1307.638   98.71106 ?          ?        360.3370 13.69705 ?        ?        ?         ?        
1 1 1 17 17 11 o 210.9647 8.067295 446.4690   34.03830 446.4690   34.03830 ?          ?        210.9647 8.067295 ?        ?        ?         ?        
1 1 1 17 17 12 o 88.30016 12.84947 78.85539   22.69220 78.85539   22.69220 ?          ?        88.30016 12.84947 ?        ?        ?         ?        
1 1 1 17 17 13 o 163.6471 9.013253 270.0372   29.49986 270.0372   29.49986 ?          ?        163.6471 9.013253 ?        ?        ?         ?        
1 1 1 17 17 14 o 127.2865 7.576751 163.3838   19.28837 163.3838   19.28837 ?          ?        127.2865 7.576751 ?        ?        ?         ?        
1 1 1 17 17 15 o 128.3549 8.176658 166.7877   20.99029 166.7877   20.99029 ?          ?        128.3549 8.176658 ?        ?        ?         ?        
1 1 1 17 17 16 o 188.2696 6.779833 358.5367   25.52872 358.5367   25.52872 ?          ?        188.2696 6.779833 ?        ?        ?         ?        
1 1 1 17 17 17 o 117.1392 7.264496 139.5570   17.01915 139.5570   17.01915 ?          ?        117.1392 7.264496 ?        ?        ?         ?        
1 1 1 17 18 0  o 262.7180 9.202013 693.2466   48.22092 693.2466   48.22092 693.2466   48.22092 262.7180 9.202013 262.7180 9.202013 -0.000000 0.000000 
1 1 1 17 18 1  o 1159.336 23.09667 13563.13   535.5359 13563.13   535.5359 ?          ?        1159.336 23.09667 ?        ?        ?         ?        
1 1 1 17 18 2  o 290.9186 6.727664 846.9863   39.14404 846.9863   39.14404 ?          ?        290.9186 6.727664 ?        ?        ?         ?        
1 1 1 17 18 3  o 270.6064 7.023010 732.9580   38.00943 732.9580   38.00943 ?          ?        270.6064 7.023010 ?        ?        ?         ?        
1 1 1 17 18 4  o 210.5444 5.927829 443.6324   24.96142 443.6324   24.96142 ?          ?        210.5444 5.927829 ?        ?        ?         ?        
1 1 1 17 18 5  o 673.0613 15.67743 4552.055   211.0374 4552.055   211.0374 ?          ?        673.0613 15.67743 ?        ?        ?         ?        
1 1 1 17 18 6  o 119.2348 8.088396 142.3935   19.28837 142.3935   19.28837 ?          ?        119.2348 8.088396 ?        ?        ?         ?        
1 1 1 17 18 7  o 289.5988 9.402884 840.7460   54.46128 840.7460   54.46128 ?          ?        289.5988 9.402884 ?        ?        ?         ?        
1 1 1 17 18 8  o 182.4826 7.616603 333.5753   27.79794 333.5753   27.79794 ?          ?        182.4826 7.616603 ?        ?        ?         ?        
1 1 1 17 18 9  o 542.2589 15.58821 2967.572   169.0569 2967.572   169.0569 ?          ?        542.2589 15.58821 ?        ?        ?         ?        
1 1 1 17 18 10 f 337.1231 10.34912 1141.418   69.77851 1141.418   69.77851 ?          ?        337.1231 10.34912 ?        ?        ?         ?        
1 1 1 17 18 11 o 153.3153 8.695587 235.9989   26.66333 235.9989   26.66333 ?          ?        153.3153 8.695587 ?        ?        ?         ?        
1 1 1 17 18 12 o 55.11848 17.46507 30.63447   21.55759 30.63447   21.55759 ?          ?        55.11848 17.46507 ?        ?        ?         ?        
1 1 1 17 18 13 o 183.5966 8.342875 339.8157   30.63447 339.8157   30.63447 ?          ?        183.5966 8.342875 ?        ?        ?         ?        
1 1 1 17 18 14 o 63.52012 14.20274 43.11518   17.58645 43.11518   17.58645 ?          ?        63.52012 14.20274 ?        ?        ?         ?        
1 1 1 17 18 15 o 133.9639 7.622566 181.5376   20.42298 181.5376   20.42298 ?          ?        133.9639 7.622566 ?        ?        ?         ?        
1 1 1 17 18 16 o 55.40106 13.84772 33.47099   15.31723 33.47099   15.31723 ?          ?        55.40106 13.84772 ?        ?        ?         ?        
1 1 1 17 18 17 o 141.5471 7.013805 203.6625   19.85567 203.6625   19.85567 ?          ?        141.5471 7.013805 ?        ?        ?         ?        
1 1 1 17 19 0  o 112.9171 10.73008 131.0475   23.82681 131.0475   23.82681 131.0475   23.82681 112.9171 10.73008 112.9171 10.73008 -0.000000 0.000000 
1 1 1 17 19 1  o 484.1475 10.13573 2348.075   98.14376 2348.075   98.14376 ?          ?        484.1475 10.13573 ?        ?        ?         ?        
1 1 1 17 19 2  o 167.8645 5.745220 281.9506   19.28837 281.9506   19.28837 ?          ?        167.8645 5.745220 ?        ?        ?         ?        
1 1 1 17 19 3  o 608.1120 14.31995 3713.578   174.1626 3713.578   174.1626 ?          ?        608.1120 14.31995 ?        ?        ?         ?        
1 1 1 17 19 4  o 336.9328 8.166107 1136.879   55.02858 1136.879   55.02858 ?          ?        336.9328 8.166107 ?        ?        ?         ?        
1 1 1 17 19 5  o 47.63884 16.53494 20.42298   19.28837 20.42298   19.28837 ?          ?        47.63884 16.53494 ?        ?        ?         ?        
1 1 1 17 19 6  o 221.2256 7.821339 490.1515   34.60560 490.1515   34.60560 ?          ?        221.2256 7.821339 ?        ?        ?         ?        
1 1 1 17 19 7  o 84.05486 11.13622 70.91312   18.72106 70.91312   18.72106 ?          ?        84.05486 11.13622 ?        ?        ?         ?        
1 1 1 17 19 8  o 213.6266 7.966775 457.2478   34.03830 457.2478   34.03830 ?          ?        213.6266 7.966775 ?        ?        ?         ?        
1 1 1 17 19 9  o 253.8818 8.156013 646.1603   41.41326 646.1603   41.41326 ?          ?        253.8818 8.156013 ?        ?        ?         ?        
1 1 1 17 19 10 f 190.7382 9.815060 365.3444   37.44213 365.3444   37.44213 ?          ?        190.7382 9.815060 ?        ?        ?         ?        
1 1 1 17 19 11 o 414.5025 12.38620 1732.549   102.6822 1732.549   102.6822 ?          ?        414.5025 12.38620 ?        ?        ?         ?        
1 1 1 17 19 12 o 75.66621 12.37082 57.86510   18.72106 57.86510   18.72106 ?          ?        75.66621 12.37082 ?        ?        ?         ?        
1 1 1 17 19 13 o 328.3990 10.27855 1092.629   67.50929 1092.629   67.50929 ?          ?        328.3990 10.27855 ?        ?        ?         ?        
1 1 1 17 19 14 o 121.9592 8.372871 150.3358   20.42298 150.3358   20.42298 ?          ?        121.9592 8.372871 ?        ?        ?         ?        
1 1 1 17 19 15 o 168.3506 7.076543 286.4890   23.82681 286.4890   23.82681 ?          ?        168.3506 7.076543 ?        ?        ?         ?        
1 1 1 17 19 16 o 35.07317 14.14913 6.807660   15.31723 6.807660   15.31723 ?          ?        35.07317 14.14913 ?        ?        ?         ?        
1 1 1 17 19 17 o 79.67929 8.899818 65.24007   14.18262 65.24007   14.18262 ?          ?        79.67929 8.899818 ?        ?        ?         ?        
1 1 1 17 20 0  o 518.5800 14.79503 2700.939   153.1723 2700.939   153.1723 2700.939   153.1723 518.5800 14.79503 518.5800 14.79503 -0.000000 0.000000 
1 1 1 17 20 1  o 805.9249 16.22531 6525.709   261.5276 6525.709   261.5276 ?          ?        805.9249 16.22531 ?        ?        ?         ?        
1 1 1 17 20 2  o 175.9219 6.610747 309.7485   23.25950 309.7485   23.25950 ?          ?        175.9219 6.610747 ?        ?        ?         ?        
1 1 1 17 20 3  o 232.0598 5.989393 538.9397   27.79794 538.9397   27.79794 ?          ?        232.0598 5.989393 ?        ?        ?         ?        
1 1 1 17 20 4  o 228.1138 6.341692 520.7859   28.93255 520.7859   28.93255 ?          ?        228.1138 6.341692 ?        ?        ?         ?        
1 1 1 17 20 5  o 352.1919 9.745243 1242.965   68.64390 1242.965   68.64390 ?          ?        352.1919 9.745243 ?        ?        ?         ?        
1 1 1 17 20 6  o 108.7869 8.604467 118.5667   18.72106 118.5667   18.72106 ?          ?        108.7869 8.604467 ?        ?        ?         ?        
1 1 1 17 20 7  o 236.1829 7.566217 558.7954   35.74022 558.7954   35.74022 ?          ?        236.1829 7.566217 ?        ?        ?         ?        
1 1 1 17 20 8  o 291.5946 8.171210 852.0920   47.65361 852.0920   47.65361 ?          ?        291.5946 8.171210 ?        ?        ?         ?        
1 1 1 17 20 9  o 335.7954 11.99500 1133.475   80.55730 1133.475   80.55730 ?          ?        335.7954 11.99500 ?        ?        ?         ?        
1 1 1 17 20 10 o 213.8366 8.887495 458.9497   38.00943 458.9497   38.00943 ?          ?        213.8366 8.887495 ?        ?        ?         ?        
1 1 1 17 20 11 o 99.56479 11.39569 99.84568   22.69220 99.84568   22.69220 ?          ?        99.56479 11.39569 ?        ?        ?         ?        
1 1 1 17 20 12 o 76.49873 14.25063 61.26894   20.99029 61.26894   20.99029 ?          ?        76.49873 14.25063 ?        ?        ?         ?        
1 1 1 17 20 13 o 95.40759 11.29763 92.47070   21.55759 92.47070   21.55759 ?          ?        95.40759 11.29763 ?        ?        ?         ?        
1 1 1 17 20 14 o 190.9236 7.279860 367.6136   27.79794 367.6136   27.79794 ?          ?        190.9236 7.279860 ?        ?        ?         ?        
1 1 1 17 20 15 o 159.4393 6.938345 256.9891   22.12490 256.9891   22.12490 ?          ?        159.4393 6.938345 ?        ?        ?         ?        
1 1 1 17 20 16 o 46.22532 14.41267 22.69220   14.74993 22.69220   14.74993 ?          ?        46.22532 14.41267 ?        ?        ?         ?        
1 1 1 17 20 17 o 378.2870 14.09688 1531.156   106.6533 1531.156   106.6533 ?          ?        378.2870 14.09688 ?        ?        ?         ?        
1 1 1 17 21 0  o 715.0568 20.30678 5145.456   289.8928 5145.456   289.8928 5145.456   289.8928 715.0568 20.30678 715.0568 20.30678 -0.000000 0.000000 
1 1 1 17 21 1  o 765.1865 15.23565 5881.818   233.1623 5881.818   233.1623 ?          ?        765.1865 15.23565 ?        ?        ?         ?        
1 1 1 17 21 2  o 310.3875 7.036765 964.4185   43.68248 964.4185   43.68248 ?          ?        310.3875 7.036765 ?        ?        ?         ?        
1 1 1 17 21 3  o 331.3978 8.559274 1100.004   56.73050 1100.004   56.73050 ?          ?        331.3978 8.559274 ?        ?        ?         ?        
1 1 1 17 21 4  o 447.4403 10.71367 2006.558   95.87454 2006.558   95.87454 ?          ?        447.4403 10.71367 ?        ?        ?         ?        
1 1 1 17 21 5  o 63.51873 12.95260 41.98057   15.88454 41.98057   15.88454 ?          ?        63.51873 12.95260 ?        ?        ?         ?        
1 1 1 17 21 6  o 147.7062 6.529302 218.4124   19.28837 218.4124   19.28837 ?          ?        147.7062 6.529302 ?        ?        ?         ?        
1 1 1 17 21 7  o 277.3412 7.261569 770.4002   40.27865 770.4002   40.27865 ?          ?        277.3412 7.261569 ?        ?        ?         ?        
1 1 1 17 21 8  o 213.3282 8.110883 456.1132   34.60560 456.1132   34.60560 ?          ?        213.3282 8.110883 ?        ?        ?         ?        
1 1 1 17 21 9  o 419.0834 12.79228 1766.588   107.2206 1766.588   107.2206 ?          ?        419.0834 12.79228 ?        ?        ?         ?        
1 1 1 17 21 10 o 314.7198 9.373373 994.4856   58.99971 994.4856   58.99971 ?          ?        314.7198 9.373373 ?        ?        ?         ?        
1 1 1 17 21 11 o 180.6336 9.107852 327.9023   32.90369 327.9023   32.90369 ?          ?        180.6336 9.107852 ?        ?        ?         ?        
1 1 1 17 21 12 o 121.0156 9.141340 147.4993   22.12490 147.4993   22.12490 ?          ?        121.0156 9.141340 ?        ?        ?         ?        
1 1 1 17 21 13 o 111.5895 9.659328 125.9417   21.55759 125.9417   21.55759 ?          ?        111.5895 9.659328 ?        ?        ?         ?        
1 1 1 17 21 14 o 115.0829 8.133728 133.8840   18.72106 133.8840   18.72106 ?          ?        115.0829 8.133728 ?        ?        ?         ?        
1 1 1 17 21 15 o 159.1352 6.773357 255.8545   21.55759 255.8545   21.55759 ?          ?        159.1352 6.773357 ?        ?        ?         ?        
1 1 1 17 21 16 o 80.03441 9.923569 65.80738   15.88454 65.80738   15.88454 ?          ?        80.03441 9.923569 ?        ?        ?         ?        
1 1 1 17 21 17 o 245.0121 7.525103 612.1221   36.87482 612.1221   36.87482 ?          ?        245.0121 7.525103 ?        ?        ?         ?        
1 1 1 17 22 0  o 245.3431 8.811538 604.7471   43.11518 604.7471   43.11518 604.7471   43.11518 245.3431 8.811538 245.3431 8.811538 -0.000000 0.000000 
1 1 1 17 22 1  o 798.8696 16.08455 6417.354   256.9891 6417.354   256.9891 ?          ?        798.8696 16.08455 ?        ?        ?         ?        
1 1 1 17 22 2  o 60.76343 14.23834 38.57674   17.01915 38.57674   17.01915 ?          ?        60.76343 14.23834 ?        ?        ?         ?        
1 1 1 17 22 3  o 367.3607 8.030216 1351.320   58.99971 1351.320   58.99971 ?          ?        367.3607 8.030216 ?        ?        ?         ?        
1 1 1 17 22 4  o 306.0173 8.156865 937.7551   49.92284 937.7551   49.92284 ?          ?        306.0173 8.156865 ?        ?        ?         ?        
1 1 1 17 22 5  o 473.4980 12.40049 2250.499   117.4321 2250.499   117.4321 ?          ?        473.4980 12.40049 ?        ?        ?         ?        
1 1 1 17 22 6  o 83.40445 10.54288 69.77851   17.58645 69.77851   17.58645 ?          ?        83.40445 10.54288 ?        ?        ?         ?        
1 1 1 17 22 7  o 380.3525 9.545755 1450.599   72.61504 1450.599   72.61504 ?          ?        380.3525 9.545755 ?        ?        ?         ?        
1 1 1 17 22 8  o 203.3285 6.835722 414.1326   27.79794 414.1326   27.79794 ?          ?        203.3285 6.835722 ?        ?        ?         ?        
1 1 1 17 22 9  o 135.6376 7.737637 184.3741   20.99029 184.3741   20.99029 ?          ?        135.6376 7.737637 ?        ?        ?         ?        
1 1 1 17 22 10 o 213.8497 7.295259 458.3824   31.20177 458.3824   31.20177 ?          ?        213.8497 7.295259 ?        ?        ?         ?        
1 1 1 17 22 11 o 149.8498 9.085977 225.7874   27.23064 225.7874   27.23064 ?          ?        149.8498 9.085977 ?        ?        ?         ?        
1 1 1 17 22 12 o 164.7432 7.748036 272.8737   25.52872 272.8737   25.52872 ?          ?        164.7432 7.748036 ?        ?        ?         ?        
1 1 1 17 22 13 o 399.5062 12.21213 1625.329   97.57646 1625.329   97.57646 ?          ?        399.5062 12.21213 ?        ?        ?         ?        
1 1 1 17 22 14 o 119.5156 8.781397 144.6628   20.99029 144.6628   20.99029 ?          ?        119.5156 8.781397 ?        ?        ?         ?        
1 1 1 17 22 15 o 125.7831 6.990788 159.9800   17.58645 159.9800   17.58645 ?          ?        125.7831 6.990788 ?        ?        ?         ?        
1 1 1 17 22 16 o 41.25638 15.17434 15.31723   16.45185 15.31723   16.45185 ?          ?        41.25638 15.17434 ?        ?        ?         ?        
1 1 1 17 23 0  o 275.4889 10.32795 763.0251   56.73050 763.0251   56.73050 763.0251   56.73050 275.4889 10.32795 275.4889 10.32795 -0.000000 0.000000 
1 1 1 17 23 1  o 477.0408 9.870501 2280.566   94.17262 2280.566   94.17262 ?          ?        477.0408 9.870501 ?        ?        ?         ?        
1 1 1 17 23 2  o 367.2668 8.186737 1350.753   60.13433 1350.753   60.13433 ?          ?        367.2668 8.186737 ?        ?        ?         ?        
1 1 1 17 23 3  o 253.3056 6.606842 642.1892   33.47099 642.1892   33.47099 ?          ?        253.3056 6.606842 ?        ?        ?         ?        
1 1 1 17 23 4  o 187.7692 6.042577 352.8637   22.69220 352.8637   22.69220 ?          ?        187.7692 6.042577 ?        ?        ?         ?        
1 1 1 17 23 5  o 286.7456 8.507233 823.7267   48.78823 823.7267   48.78823 ?          ?        286.7456 8.507233 ?        ?        ?         ?        
1 1 1 17 23 6  o 281.4171 8.466724 793.6596   47.65361 793.6596   47.65361 ?          ?        281.4171 8.466724 ?        ?        ?         ?        
1 1 1 17 23 7  o 67.54265 14.29705 47.65361   18.72106 47.65361   18.72106 ?          ?        67.54265 14.29705 ?        ?        ?         ?        
1 1 1 17 23 8  o 232.1661 7.208415 540.0743   33.47099 540.0743   33.47099 ?          ?        232.1661 7.208415 ?        ?        ?         ?        
1 1 1 17 23 9  o 185.6834 7.332547 345.4887   27.23064 345.4887   27.23064 ?          ?        185.6834 7.332547 ?        ?        ?         ?        
1 1 1 17 23 10 o 215.6764 7.364986 466.3247   31.76908 466.3247   31.76908 ?          ?        215.6764 7.364986 ?        ?        ?         ?        
1 1 1 17 23 11 o 383.8453 10.71515 1485.204   82.25922 1485.204   82.25922 ?          ?        383.8453 10.71515 ?        ?        ?         ?        
1 1 1 17 23 12 o 181.2519 8.763791 330.7388   31.76908 330.7388   31.76908 ?          ?        181.2519 8.763791 ?        ?        ?         ?        
1 1 1 17 23 13 o 92.38618 11.36008 86.79766   20.99029 86.79766   20.99029 ?          ?        92.38618 11.36008 ?        ?        ?         ?        
1 1 1 17 23 14 o 151.0979 8.260016 230.8931   24.96142 230.8931   24.96142 ?          ?        151.0979 8.260016 ?        ?        ?         ?        
1 1 1 17 23 15 o 55.34570 15.00120 33.47099   17.01915 33.47099   17.01915 ?          ?        55.34570 15.00120 ?        ?        ?         ?        
1 1 1 17 23 16 o 46.78584 15.00899 23.25950   15.88454 23.25950   15.88454 ?          ?        46.78584 15.00899 ?        ?        ?         ?        
1 1 1 17 24 0  o 329.4584 10.26744 1089.793   67.50929 1089.793   67.50929 1089.793   67.50929 329.4584 10.26744 329.4584 10.26744 -0.000000 0.000000 
1 1 1 17 24 1  o 775.0215 15.55470 6036.692   241.1046 6036.692   241.1046 ?          ?        775.0215 15.55470 ?        ?        ?         ?        
1 1 1 17 24 2  o 520.8632 10.67380 2719.093   111.1918 2719.093   111.1918 ?          ?        520.8632 10.67380 ?        ?        ?         ?        
1 1 1 17 24 3  o 235.5747 6.140845 555.3916   28.93255 555.3916   28.93255 ?          ?        235.5747 6.140845 ?        ?        ?         ?        
1 1 1 17 24 4  o 306.8471 7.580161 942.8608   46.51900 942.8608   46.51900 ?          ?        306.8471 7.580161 ?        ?        ?         ?        
1 1 1 17 24 5  o 411.8352 10.95116 1701.348   90.20149 1701.348   90.20149 ?          ?        411.8352 10.95116 ?        ?        ?         ?        
1 1 1 17 24 6  o 228.2940 6.833681 521.9205   31.20177 521.9205   31.20177 ?          ?        228.2940 6.833681 ?        ?        ?         ?        
1 1 1 17 24 7  o 348.5583 8.951665 1218.004   62.40355 1218.004   62.40355 ?          ?        348.5583 8.951665 ?        ?        ?         ?        
1 1 1 17 24 8  o 598.7584 15.49112 3617.136   185.5087 3617.136   185.5087 ?          ?        598.7584 15.49112 ?        ?        ?         ?        
1 1 1 17 24 9  o 568.1236 14.87853 3257.465   169.0569 3257.465   169.0569 ?          ?        568.1236 14.87853 ?        ?        ?         ?        
1 1 1 17 24 10 o 253.8369 7.375235 646.1603   37.44213 646.1603   37.44213 ?          ?        253.8369 7.375235 ?        ?        ?         ?        
1 1 1 17 24 11 o 176.9214 7.695686 314.2870   27.23064 314.2870   27.23064 ?          ?        176.9214 7.695686 ?        ?        ?         ?        
1 1 1 17 24 12 o 193.3017 7.337042 375.5559   28.36525 375.5559   28.36525 ?          ?        193.3017 7.337042 ?        ?        ?         ?        
1 1 1 17 24 13 o 287.4067 10.95501 840.1787   62.97085 840.1787   62.97085 ?          ?        287.4067 10.95501 ?        ?        ?         ?        
1 1 1 17 24 14 o 74.76735 12.14017 57.29780   18.15376 57.29780   18.15376 ?          ?        74.76735 12.14017 ?        ?        ?         ?        
1 1 1 17 24 15 o 128.4467 8.170815 167.9223   20.99029 167.9223   20.99029 ?          ?        128.4467 8.170815 ?        ?        ?         ?        
1 1 1 17 24 16 o 40.69293 15.34381 14.18262   17.01915 14.18262   17.01915 ?          ?        40.69293 15.34381 ?        ?        ?         ?        
1 1 1 17 25 0  o 596.3333 17.10731 3575.156   203.6625 3575.156   203.6625 3575.156   203.6625 596.3333 17.10731 596.3333 17.10731 -0.000000 0.000000 
1 1 1 17 25 1  o 272.4959 6.557936 743.1695   35.74022 743.1695   35.74022 ?          ?        272.4959 6.557936 ?        ?        ?         ?        
1 1 1 17 25 2  o 563.6180 11.62556 3185.417   131.0475 3185.417   131.0475 ?          ?        563.6180 11.62556 ?        ?        ?         ?        
1 1 1 17 25 3  o 276.4615 7.489881 765.2943   41.41326 765.2943   41.41326 ?          ?        276.4615 7.489881 ?        ?        ?         ?        
1 1 1 17 25 4  o 562.0472 14.33284 3175.206   161.1146 3175.206   161.1146 ?          ?        562.0472 14.33284 ?        ?        ?         ?        
1 1 1 17 25 5  o 295.0732 8.651656 872.5150   51.05745 872.5150   51.05745 ?          ?        295.0732 8.651656 ?        ?        ?         ?        
1 1 1 17 25 6  o 164.5444 7.240235 271.1718   23.82681 271.1718   23.82681 ?          ?        164.5444 7.240235 ?        ?        ?         ?        
1 1 1 17 25 7  o 239.1701 6.997320 572.9780   33.47099 572.9780   33.47099 ?          ?        239.1701 6.997320 ?        ?        ?         ?        
1 1 1 17 25 8  o 173.0731 7.211235 300.1043   24.96142 300.1043   24.96142 ?          ?        173.0731 7.211235 ?        ?        ?         ?        
1 1 1 17 25 9  o 226.3283 7.018361 513.4110   31.76908 513.4110   31.76908 ?          ?        226.3283 7.018361 ?        ?        ?         ?        
1 1 1 17 25 10 o 144.8327 7.833937 210.4701   22.69220 210.4701   22.69220 ?          ?        144.8327 7.833937 ?        ?        ?         ?        
1 1 1 17 25 11 o 177.1403 7.045663 314.8543   24.96142 314.8543   24.96142 ?          ?        177.1403 7.045663 ?        ?        ?         ?        
1 1 1 17 25 12 o 211.6451 7.773316 451.0074   32.90369 451.0074   32.90369 ?          ?        211.6451 7.773316 ?        ?        ?         ?        
1 1 1 17 25 13 o 39.23012 16.00135 6.807660   19.85567 6.807660   19.85567 ?          ?        39.23012 16.00135 ?        ?        ?         ?        
1 1 1 17 25 14 f 141.9781 8.590803 204.2298   24.39412 204.2298   24.39412 ?          ?        141.9781 8.590803 ?        ?        ?         ?        
1 1 1 17 25 15 o 138.0918 7.600121 193.4510   20.99029 193.4510   20.99029 ?          ?        138.0918 7.600121 ?        ?        ?         ?        
1 1 1 17 25 16 o 34.89844 14.44632 5.105744   16.45185 5.105744   16.45185 ?          ?        34.89844 14.44632 ?        ?        ?         ?        
1 1 1 17 26 0  o 232.1163 9.196542 541.7762   42.54787 541.7762   42.54787 541.7762   42.54787 232.1163 9.196542 232.1163 9.196542 -0.000000 0.000000 
1 1 1 17 26 1  o 587.4327 11.97513 3461.128   140.6916 3461.128   140.6916 ?          ?        587.4327 11.97513 ?        ?        ?         ?        
1 1 1 17 26 2  o 631.9893 13.86869 4011.413   175.2972 4011.413   175.2972 ?          ?        631.9893 13.86869 ?        ?        ?         ?        
1 1 1 17 26 3  o 293.3542 7.445349 861.7362   43.68248 861.7362   43.68248 ?          ?        293.3542 7.445349 ?        ?        ?         ?        
1 1 1 17 26 4  o 70.94169 13.28626 52.19205   18.15376 52.19205   18.15376 ?          ?        70.94169 13.28626 ?        ?        ?         ?        
1 1 1 17 26 5  o 533.9604 13.86494 2867.727   148.0666 2867.727   148.0666 ?          ?        533.9604 13.86494 ?        ?        ?         ?        
1 1 1 17 26 6  o 318.0941 9.095594 1014.341   57.86510 1014.341   57.86510 ?          ?        318.0941 9.095594 ?        ?        ?         ?        
1 1 1 17 26 7  o 160.1374 7.616621 256.9891   24.39412 256.9891   24.39412 ?          ?        160.1374 7.616621 ?        ?        ?         ?        
1 1 1 17 26 8  o 419.4059 11.36217 1767.155   95.30723 1767.155   95.30723 ?          ?        419.4059 11.36217 ?        ?        ?         ?        
1 1 1 17 26 9  o 281.9342 7.746928 797.0634   43.68248 797.0634   43.68248 ?          ?        281.9342 7.746928 ?        ?        ?         ?        
1 1 1 17 26 10 o 249.4218 7.392061 624.0355   36.87482 624.0355   36.87482 ?          ?        249.4218 7.392061 ?        ?        ?         ?        
1 1 1 17 26 11 o 127.6709 8.886992 163.9511   22.69220 163.9511   22.69220 ?          ?        127.6709 8.886992 ?        ?        ?         ?        
1 1 1 17 26 12 o 67.16186 15.50659 48.22092   20.42298 48.22092   20.42298 ?          ?        67.16186 15.50659 ?        ?        ?         ?        
1 1 1 17 26 13 o 90.93636 12.16504 84.52843   22.12490 84.52843   22.12490 ?          ?        90.93636 12.16504 ?        ?        ?         ?        
1 1 1 17 26 14 o 21.61247 10.79339 -51.05745  19.28837 -51.05745  19.28837 ?          ?        21.61247 10.79339 ?        ?        ?         ?        
1 1 1 17 26 15 o 146.0511 7.962797 216.7105   23.25950 216.7105   23.25950 ?          ?        146.0511 7.962797 ?        ?        ?         ?        
1 1 1 17 26 16 o 51.33996 15.05540 28.93255   16.45185 28.93255   16.45185 ?          ?        51.33996 15.05540 ?        ?        ?         ?        
1 1 1 17 27 0  o 577.9944 18.34572 3363.551   211.6048 3363.551   211.6048 3363.551   211.6048 577.9944 18.34572 577.9944 18.34572 -0.000000 0.000000 
1 1 1 17 27 1  o 127.9491 7.980900 163.9511   20.42298 163.9511   20.42298 ?          ?        127.9491 7.980900 ?        ?        ?         ?        
1 1 1 17 27 2  f 192.0634 6.941285 369.3155   26.66333 369.3155   26.66333 ?          ?        192.0634 6.941285 ?        ?        ?         ?        
1 1 1 17 27 3  o 177.8199 6.699703 316.5562   23.82681 316.5562   23.82681 ?          ?        177.8199 6.699703 ?        ?        ?         ?        
1 1 1 17 27 4  o 210.2342 6.476264 442.4978   27.23064 442.4978   27.23064 ?          ?        210.2342 6.476264 ?        ?        ?         ?        
1 1 1 17 27 5  o 196.8560 6.628201 388.0366   26.09603 388.0366   26.09603 ?          ?        196.8560 6.628201 ?        ?        ?         ?        
1 1 1 17 27 6  o 87.59613 13.27656 77.15348   23.25950 77.15348   23.25950 ?          ?        87.59613 13.27656 ?        ?        ?         ?        
1 1 1 17 27 7  o 206.4915 7.005750 427.1806   28.93255 427.1806   28.93255 ?          ?        206.4915 7.005750 ?        ?        ?         ?        
1 1 1 17 27 8  o 63.26934 16.09641 41.98057   20.42298 41.98057   20.42298 ?          ?        63.26934 16.09641 ?        ?        ?         ?        
1 1 1 17 27 9  o 330.2420 8.846908 1094.331   58.43241 1094.331   58.43241 ?          ?        330.2420 8.846908 ?        ?        ?         ?        
1 1 1 17 27 10 o 352.6821 8.605716 1249.773   60.70163 1249.773   60.70163 ?          ?        352.6821 8.605716 ?        ?        ?         ?        
1 1 1 17 27 11 o 163.2603 7.297183 267.7679   23.82681 267.7679   23.82681 ?          ?        163.2603 7.297183 ?        ?        ?         ?        
1 1 1 17 27 12 o 164.9773 7.393175 274.0083   24.39412 274.0083   24.39412 ?          ?        164.9773 7.393175 ?        ?        ?         ?        
1 1 1 17 27 13 o 173.1077 7.537515 302.3735   26.09603 302.3735   26.09603 ?          ?        173.1077 7.537515 ?        ?        ?         ?        
1 1 1 17 27 14 f 39.45680 15.58932 10.21149   18.15376 10.21149   18.15376 ?          ?        39.45680 15.58932 ?        ?        ?         ?        
1 1 1 17 27 15 o 49.51465 16.55729 25.52872   19.28837 25.52872   19.28837 ?          ?        49.51465 16.55729 ?        ?        ?         ?        
1 1 1 17 27 16 o 29.69270 13.56775 -10.21149  18.15376 -10.21149  18.15376 ?          ?        29.69270 13.56775 ?        ?        ?         ?        
1 1 1 17 28 0  o 43.87391 22.93426 28.36525   26.09603 28.36525   26.09603 28.36525   26.09603 43.87391 22.93426 43.87391 22.93426 -0.000000 0.000000 
1 1 1 17 28 1  o 100.0983 9.351339 100.4130   18.72106 100.4130   18.72106 ?          ?        100.0983 9.351339 ?        ?        ?         ?        
1 1 1 17 28 2  o 347.6447 8.240856 1210.629   57.29780 1210.629   57.29780 ?          ?        347.6447 8.240856 ?        ?        ?         ?        
1 1 1 17 28 3  o 344.7701 8.227293 1190.773   56.73050 1190.773   56.73050 ?          ?        344.7701 8.227293 ?        ?        ?         ?        
1 1 1 17 28 4  o 241.7695 7.274059 585.4587   35.17290 585.4587   35.17290 ?          ?        241.7695 7.274059 ?        ?        ?         ?        
1 1 1 17 28 5  o 284.9966 8.758497 814.0826   49.92284 814.0826   49.92284 ?          ?        284.9966 8.758497 ?        ?        ?         ?        
1 1 1 17 28 6  o 393.2227 10.60389 1552.146   83.39383 1552.146   83.39383 ?          ?        393.2227 10.60389 ?        ?        ?         ?        
1 1 1 17 28 7  o 152.3402 7.820261 232.5950   23.82681 232.5950   23.82681 ?          ?        152.3402 7.820261 ?        ?        ?         ?        
1 1 1 17 28 8  o 112.2504 9.855155 126.5090   22.12490 126.5090   22.12490 ?          ?        112.2504 9.855155 ?        ?        ?         ?        
1 1 1 17 28 9  o 323.1960 10.44402 1050.082   67.50929 1050.082   67.50929 ?          ?        323.1960 10.44402 ?        ?        ?         ?        
1 1 1 17 28 10 o 160.4521 8.308811 258.6910   26.66333 258.6910   26.66333 ?          ?        160.4521 8.308811 ?        ?        ?         ?        
1 1 1 17 28 11 o 98.33343 10.09610 97.57646   19.85567 97.57646   19.85567 ?          ?        98.33343 10.09610 ?        ?        ?         ?        
1 1 1 17 28 12 o 75.12085 14.11289 59.56702   20.42298 59.56702   20.42298 ?          ?        75.12085 14.11289 ?        ?        ?         ?        
1 1 1 17 28 13 o 117.4035 8.697772 139.5570   20.42298 139.5570   20.42298 ?          ?        117.4035 8.697772 ?        ?        ?         ?        
1 1 1 17 28 14 o 107.5947 9.227064 117.9994   19.85567 117.9994   19.85567 ?          ?        107.5947 9.227064 ?        ?        ?         ?        
1 1 1 17 28 15 o 43.82681 16.72494 15.88454   20.42298 15.88454   20.42298 ?          ?        43.82681 16.72494 ?        ?        ?         ?        
1 1 1 17 28 16 o 84.04756 10.12471 73.18234   17.01915 73.18234   17.01915 ?          ?        84.04756 10.12471 ?        ?        ?         ?        
1 1 1 17 29 0  o 530.2539 16.88817 2830.284   178.7011 2830.284   178.7011 2830.284   178.7011 530.2539 16.88817 530.2539 16.88817 -0.000000 0.000000 
1 1 1 17 29 1  o 304.8790 7.815168 930.9475   47.65361 930.9475   47.65361 ?          ?        304.8790 7.815168 ?        ?        ?         ?        
1 1 1 17 29 2  o 573.5675 12.61079 3303.417   144.6628 3303.417   144.6628 ?          ?        573.5675 12.61079 ?        ?        ?         ?        
1 1 1 17 29 3  o 114.1024 8.700811 130.4801   19.85567 130.4801   19.85567 ?          ?        114.1024 8.700811 ?        ?        ?         ?        
1 1 1 17 29 4  o 106.1270 8.820122 112.8937   18.72106 112.8937   18.72106 ?          ?        106.1270 8.820122 ?        ?        ?         ?        
1 1 1 17 29 5  o 324.6586 9.435903 1056.889   61.26894 1056.889   61.26894 ?          ?        324.6586 9.435903 ?        ?        ?         ?        
1 1 1 17 29 6  o 44.61822 16.62354 15.31723   19.85567 15.31723   19.85567 ?          ?        44.61822 16.62354 ?        ?        ?         ?        
1 1 1 17 29 7  o 305.6555 9.372937 937.1878   57.29780 937.1878   57.29780 ?          ?        305.6555 9.372937 ?        ?        ?         ?        
1 1 1 17 29 8  o 202.2933 7.010921 410.1615   28.36525 410.1615   28.36525 ?          ?        202.2933 7.010921 ?        ?        ?         ?        
1 1 1 17 29 9  o 230.8416 7.249774 534.4012   33.47099 534.4012   33.47099 ?          ?        230.8416 7.249774 ?        ?        ?         ?        
1 1 1 17 29 10 o 328.9546 8.536617 1087.524   56.16319 1087.524   56.16319 ?          ?        328.9546 8.536617 ?        ?        ?         ?        
1 1 1 17 29 11 o 76.63716 12.58421 59.56702   19.28837 59.56702   19.28837 ?          ?        76.63716 12.58421 ?        ?        ?         ?        
1 1 1 17 29 12 o 94.54876 10.80024 90.76879   20.42298 90.76879   20.42298 ?          ?        94.54876 10.80024 ?        ?        ?         ?        
1 1 1 17 29 13 o 260.9323 7.718218 687.5735   40.27865 687.5735   40.27865 ?          ?        260.9323 7.718218 ?        ?        ?         ?        
1 1 1 17 29 14 o 67.09743 15.87061 49.35553   20.99029 49.35553   20.99029 ?          ?        67.09743 15.87061 ?        ?        ?         ?        
1 1 1 17 29 15 o 132.0213 8.164435 177.5665   21.55759 177.5665   21.55759 ?          ?        132.0213 8.164435 ?        ?        ?         ?        
1 1 1 17 29 16 o 101.6899 9.483921 106.6533   19.28837 106.6533   19.28837 ?          ?        101.6899 9.483921 ?        ?        ?         ?        
1 1 1 17 30 0  o 403.8869 15.07513 1642.915   121.4033 1642.915   121.4033 1642.915   121.4033 403.8869 15.07513 403.8869 15.07513 -0.000000 0.000000 
1 1 1 17 30 1  o 274.2843 7.239084 753.3810   39.71135 753.3810   39.71135 ?          ?        274.2843 7.239084 ?        ?        ?         ?        
1 1 1 17 30 2  o 278.7656 7.427973 778.3424   41.41326 778.3424   41.41326 ?          ?        278.7656 7.427973 ?        ?        ?         ?        
1 1 1 17 30 3  o 270.3069 7.240668 731.8234   39.14404 731.8234   39.14404 ?          ?        270.3069 7.240668 ?        ?        ?         ?        
1 1 1 17 30 4  o 95.73843 9.480916 91.90340   18.15376 91.90340   18.15376 ?          ?        95.73843 9.480916 ?        ?        ?         ?        
1 1 1 17 30 5  o 547.1439 13.37534 3011.255   146.3647 3011.255   146.3647 ?          ?        547.1439 13.37534 ?        ?        ?         ?        
1 1 1 17 30 6  o 223.6167 6.849772 500.9303   30.63447 500.9303   30.63447 ?          ?        223.6167 6.849772 ?        ?        ?         ?        
1 1 1 17 30 7  o 125.1483 9.519426 157.1435   23.82681 157.1435   23.82681 ?          ?        125.1483 9.519426 ?        ?        ?         ?        
1 1 1 17 30 8  o 181.9628 7.170706 331.8734   26.09603 331.8734   26.09603 ?          ?        181.9628 7.170706 ?        ?        ?         ?        
1 1 1 17 30 9  o 139.8592 7.909704 196.2875   22.12490 196.2875   22.12490 ?          ?        139.8592 7.909704 ?        ?        ?         ?        
1 1 1 17 30 10 o 339.1988 9.198668 1157.302   62.40355 1157.302   62.40355 ?          ?        339.1988 9.198668 ?        ?        ?         ?        
1 1 1 17 30 11 o 237.3965 7.169081 566.7377   34.03830 566.7377   34.03830 ?          ?        237.3965 7.169081 ?        ?        ?         ?        
1 1 1 17 30 12 o 118.0655 9.610006 141.2589   22.69220 141.2589   22.69220 ?          ?        118.0655 9.610006 ?        ?        ?         ?        
1 1 1 17 30 13 o 152.3931 7.259151 234.2970   22.12490 234.2970   22.12490 ?          ?        152.3931 7.259151 ?        ?        ?         ?        
1 1 1 17 30 14 o 131.5162 10.13690 177.5665   26.66333 177.5665   26.66333 ?          ?        131.5162 10.13690 ?        ?        ?         ?        
1 1 1 17 30 15 o 110.5444 9.237454 125.3744   20.42298 125.3744   20.42298 ?          ?        110.5444 9.237454 ?        ?        ?         ?        
1 1 1 17 31 0  o 120.8232 12.44492 150.9031   29.49986 150.9031   29.49986 150.9031   29.49986 120.8232 12.44492 120.8232 12.44492 -0.000000 0.000000 
1 1 1 17 31 1  o 276.1119 7.293901 763.5925   40.27865 763.5925   40.27865 ?          ?        276.1119 7.293901 ?        ?        ?         ?        
1 1 1 17 31 2  o 137.9283 8.020434 190.6145   22.12490 190.6145   22.12490 ?          ?        137.9283 8.020434 ?        ?        ?         ?        
1 1 1 17 31 3  f 163.5069 7.286178 267.7679   23.82681 267.7679   23.82681 ?          ?        163.5069 7.286178 ?        ?        ?         ?        
1 1 1 17 31 4  o 532.5884 11.98333 2849.006   127.6436 2849.006   127.6436 ?          ?        532.5884 11.98333 ?        ?        ?         ?        
1 1 1 17 31 5  o 284.1450 8.585095 809.5441   48.78823 809.5441   48.78823 ?          ?        284.1450 8.585095 ?        ?        ?         ?        
1 1 1 17 31 6  o 110.2594 9.518588 121.9706   20.99029 121.9706   20.99029 ?          ?        110.2594 9.518588 ?        ?        ?         ?        
1 1 1 17 31 7  o 116.9574 9.458529 137.2878   22.12490 137.2878   22.12490 ?          ?        116.9574 9.458529 ?        ?        ?         ?        
1 1 1 17 31 8  o 60.95727 18.44152 38.00943   24.39412 38.00943   24.39412 ?          ?        60.95727 18.44152 ?        ?        ?         ?        
1 1 1 17 31 9  o 223.0206 7.631199 499.2284   34.03830 499.2284   34.03830 ?          ?        223.0206 7.631199 ?        ?        ?         ?        
1 1 1 17 31 10 o 232.3360 7.691492 542.3435   35.74022 542.3435   35.74022 ?          ?        232.3360 7.691492 ?        ?        ?         ?        
1 1 1 17 31 11 o 209.1933 6.915266 440.2286   28.93255 440.2286   28.93255 ?          ?        209.1933 6.915266 ?        ?        ?         ?        
1 1 1 17 31 12 o 264.6961 7.394147 706.2947   39.14404 706.2947   39.14404 ?          ?        264.6961 7.394147 ?        ?        ?         ?        
1 1 1 17 31 13 o 153.7595 7.563599 238.8354   23.25950 238.8354   23.25950 ?          ?        153.7595 7.563599 ?        ?        ?         ?        
1 1 1 17 31 14 o 29.85091 13.78025 -13.61532  19.28837 -13.61532  19.28837 ?          ?        29.85091 13.78025 ?        ?        ?         ?        
1 1 1 17 31 15 o 226.7889 7.754547 524.1898   35.17290 524.1898   35.17290 ?          ?        226.7889 7.754547 ?        ?        ?         ?        
1 1 1 17 32 0  o 940.8835 29.33593 8993.485   550.8531 8993.485   550.8531 8993.485   550.8531 940.8835 29.33593 940.8835 29.33593 -0.000000 0.000000 
1 1 1 17 32 1  o 260.2703 7.301916 678.4968   38.00943 678.4968   38.00943 ?          ?        260.2703 7.301916 ?        ?        ?         ?        
1 1 1 17 32 2  o 199.9795 7.092038 400.5173   28.36525 400.5173   28.36525 ?          ?        199.9795 7.092038 ?        ?        ?         ?        
1 1 1 17 32 3  o 255.5417 7.437031 654.1026   38.00943 654.1026   38.00943 ?          ?        255.5417 7.437031 ?        ?        ?         ?        
1 1 1 17 32 4  o 329.2972 8.441597 1086.956   55.59589 1086.956   55.59589 ?          ?        329.2972 8.441597 ?        ?        ?         ?        
1 1 1 17 32 5  f 376.4010 8.967735 1421.099   67.50929 1421.099   67.50929 ?          ?        376.4010 8.967735 ?        ?        ?         ?        
1 1 1 17 32 6  o 41.45316 16.48531 9.076880   20.42298 9.076880   20.42298 ?          ?        41.45316 16.48531 ?        ?        ?         ?        
1 1 1 17 32 7  o 243.5463 7.104523 594.5356   34.60560 594.5356   34.60560 ?          ?        243.5463 7.104523 ?        ?        ?         ?        
1 1 1 17 32 8  o 83.84779 12.85519 70.91312   21.55759 70.91312   21.55759 ?          ?        83.84779 12.85519 ?        ?        ?         ?        
1 1 1 17 32 9  o 108.5146 9.933037 118.5667   21.55759 118.5667   21.55759 ?          ?        108.5146 9.933037 ?        ?        ?         ?        
1 1 1 17 32 10 o 165.7718 9.068844 276.8448   30.06716 276.8448   30.06716 ?          ?        165.7718 9.068844 ?        ?        ?         ?        
1 1 1 17 32 11 o 288.6543 8.254444 840.1787   47.65361 840.1787   47.65361 ?          ?        288.6543 8.254444 ?        ?        ?         ?        
1 1 1 17 32 12 o 176.3679 7.398180 313.7196   26.09603 313.7196   26.09603 ?          ?        176.3679 7.398180 ?        ?        ?         ?        
1 1 1 17 32 13 o 133.6516 8.064848 180.9703   21.55759 180.9703   21.55759 ?          ?        133.6516 8.064848 ?        ?        ?         ?        
1 1 1 17 32 14 o 44.92841 17.33850 15.88454   22.12490 15.88454   22.12490 ?          ?        44.92841 17.33850 ?        ?        ?         ?        
1 1 1 17 32 15 o 28.52131 13.74299 -31.76908  23.25950 -31.76908  23.25950 ?          ?        28.52131 13.74299 ?        ?        ?         ?        
1 1 1 17 33 0  o 703.7513 22.21687 5003.629   312.0177 5003.629   312.0177 5003.629   312.0177 703.7513 22.21687 703.7513 22.21687 -0.000000 0.000000 
1 1 1 17 33 1  o 212.2285 6.682715 451.0074   28.36525 451.0074   28.36525 ?          ?        212.2285 6.682715 ?        ?        ?         ?        
1 1 1 17 33 2  o 311.9873 7.909862 975.1971   49.35553 975.1971   49.35553 ?          ?        311.9873 7.909862 ?        ?        ?         ?        
1 1 1 17 33 3  o 376.7112 8.960352 1422.801   67.50929 1422.801   67.50929 ?          ?        376.7112 8.960352 ?        ?        ?         ?        
1 1 1 17 33 4  o 175.8012 7.744724 309.7485   27.23064 309.7485   27.23064 ?          ?        175.8012 7.744724 ?        ?        ?         ?        
1 1 1 17 33 5  o 224.1162 7.087636 503.1995   31.76908 503.1995   31.76908 ?          ?        224.1162 7.087636 ?        ?        ?         ?        
1 1 1 17 33 6  f 107.0846 10.59545 115.1629   22.69220 115.1629   22.69220 ?          ?        107.0846 10.59545 ?        ?        ?         ?        
1 1 1 17 33 7  o 169.7319 7.186074 288.7582   24.39412 288.7582   24.39412 ?          ?        169.7319 7.186074 ?        ?        ?         ?        
1 1 1 17 33 8  o 246.3314 7.599950 608.7182   37.44213 608.7182   37.44213 ?          ?        246.3314 7.599950 ?        ?        ?         ?        
1 1 1 17 33 9  o 154.6110 7.521943 239.9700   23.25950 239.9700   23.25950 ?          ?        154.6110 7.521943 ?        ?        ?         ?        
1 1 1 17 33 10 o 138.3680 10.86493 193.4510   30.06716 193.4510   30.06716 ?          ?        138.3680 10.86493 ?        ?        ?         ?        
1 1 1 17 33 11 f 124.3249 8.669863 156.0089   21.55759 156.0089   21.55759 ?          ?        124.3249 8.669863 ?        ?        ?         ?        
1 1 1 17 33 12 o 34.65735 15.03288 -1.701915  19.28837 -1.701915  19.28837 ?          ?        34.65735 15.03288 ?        ?        ?         ?        
1 1 1 17 33 13 o 35.89579 16.07230 -7.942269  23.82681 -7.942269  23.82681 ?          ?        35.89579 16.07230 ?        ?        ?         ?        
1 1 1 17 33 14 o 50.17928 16.31198 26.66333   18.72106 26.66333   18.72106 ?          ?        50.17928 16.31198 ?        ?        ?         ?        
1 1 1 17 33 15 o 43.65029 16.36018 17.01915   19.28837 17.01915   19.28837 ?          ?        43.65029 16.36018 ?        ?        ?         ?        
1 1 1 17 34 0  o 143.9994 12.79846 212.7394   36.30752 212.7394   36.30752 212.7394   36.30752 143.9994 12.79846 143.9994 12.79846 -0.000000 0.000000 
1 1 1 17 34 1  o 81.95602 12.80582 67.50929   20.99029 67.50929   20.99029 ?          ?        81.95602 12.80582 ?        ?        ?         ?        
1 1 1 17 34 2  o 509.0938 11.42201 2602.795   116.2975 2602.795   116.2975 ?          ?        509.0938 11.42201 ?        ?        ?         ?        
1 1 1 17 34 3  o 220.1667 7.085943 485.6130   31.20177 485.6130   31.20177 ?          ?        220.1667 7.085943 ?        ?        ?         ?        
1 1 1 17 34 4  o 302.4788 9.283822 917.8995   56.16319 917.8995   56.16319 ?          ?        302.4788 9.283822 ?        ?        ?         ?        
1 1 1 17 34 5  f 452.7784 11.21383 2059.317   101.5476 2059.317   101.5476 ?          ?        452.7784 11.21383 ?        ?        ?         ?        
1 1 1 17 34 6  o 196.5900 7.647174 387.4693   30.06716 387.4693   30.06716 ?          ?        196.5900 7.647174 ?        ?        ?         ?        
1 1 1 17 34 7  o 158.6739 7.686872 252.4507   24.39412 252.4507   24.39412 ?          ?        158.6739 7.686872 ?        ?        ?         ?        
1 1 1 17 34 8  o 293.7906 7.723938 866.2746   45.38440 866.2746   45.38440 ?          ?        293.7906 7.723938 ?        ?        ?         ?        
1 1 1 17 34 9  o 235.9631 8.054105 559.3627   38.00943 559.3627   38.00943 ?          ?        235.9631 8.054105 ?        ?        ?         ?        
1 1 1 17 34 10 o 360.5450 9.362118 1312.176   67.50929 1312.176   67.50929 ?          ?        360.5450 9.362118 ?        ?        ?         ?        
1 1 1 17 34 11 o 149.7218 7.199214 225.7874   21.55759 225.7874   21.55759 ?          ?        149.7218 7.199214 ?        ?        ?         ?        
1 1 1 17 34 12 o 89.05041 11.78562 81.12460   20.99029 81.12460   20.99029 ?          ?        89.05041 11.78562 ?        ?        ?         ?        
1 1 1 17 34 13 o 83.03426 11.27310 70.91312   18.72106 70.91312   18.72106 ?          ?        83.03426 11.27310 ?        ?        ?         ?        
1 1 1 17 34 14 o 56.93604 15.52043 35.74022   18.15376 35.74022   18.15376 ?          ?        56.93604 15.52043 ?        ?        ?         ?        
1 1 1 17 34 15 o 131.9887 8.596267 178.7011   22.69220 178.7011   22.69220 ?          ?        131.9887 8.596267 ?        ?        ?         ?        
1 1 1 17 35 0  o 479.9422 15.40121 2319.710   147.4993 2319.710   147.4993 2319.710   147.4993 479.9422 15.40121 479.9422 15.40121 -0.000000 0.000000 
1 1 1 17 35 1  o 203.1861 7.119719 413.5653   28.93255 413.5653   28.93255 ?          ?        203.1861 7.119719 ?        ?        ?         ?        
1 1 1 17 35 2  o 95.90466 12.12637 92.47070   23.25950 92.47070   23.25950 ?          ?        95.90466 12.12637 ?        ?        ?         ?        
1 1 1 17 35 3  o 150.0656 8.316834 225.7874   24.96142 225.7874   24.96142 ?          ?        150.0656 8.316834 ?        ?        ?         ?        
1 1 1 17 35 4  o 156.6895 8.870395 246.2104   27.79794 246.2104   27.79794 ?          ?        156.6895 8.870395 ?        ?        ?         ?        
1 1 1 17 35 5  o 179.9500 7.408540 324.4984   26.66333 324.4984   26.66333 ?          ?        179.9500 7.408540 ?        ?        ?         ?        
1 1 1 17 35 6  o 85.17841 13.65340 73.18234   23.25950 73.18234   23.25950 ?          ?        85.17841 13.65340 ?        ?        ?         ?        
1 1 1 17 35 7  o 66.03304 17.06426 45.95170   22.69220 45.95170   22.69220 ?          ?        66.03304 17.06426 ?        ?        ?         ?        
1 1 1 17 35 8  o 254.9128 7.566655 652.4007   38.57674 652.4007   38.57674 ?          ?        254.9128 7.566655 ?        ?        ?         ?        
1 1 1 17 35 9  o 78.55966 14.24485 64.67276   21.55759 64.67276   21.55759 ?          ?        78.55966 14.24485 ?        ?        ?         ?        
1 1 1 17 35 10 o 99.87458 9.940305 100.9803   19.85567 100.9803   19.85567 ?          ?        99.87458 9.940305 ?        ?        ?         ?        
1 1 1 17 35 11 o 36.48733 15.52320 1.134610   19.85567 1.134610   19.85567 ?          ?        36.48733 15.52320 ?        ?        ?         ?        
1 1 1 17 35 12 o 326.4317 8.428805 1078.447   55.02858 1078.447   55.02858 ?          ?        326.4317 8.428805 ?        ?        ?         ?        
1 1 1 17 35 13 o 125.4775 8.816281 160.5473   22.12490 160.5473   22.12490 ?          ?        125.4775 8.816281 ?        ?        ?         ?        
1 1 1 17 35 14 o 109.1700 10.65289 123.1052   23.25950 123.1052   23.25950 ?          ?        109.1700 10.65289 ?        ?        ?         ?        
1 1 1 17 35 15 o 30.11124 13.93129 -13.61532  19.85567 -13.61532  19.85567 ?          ?        30.11124 13.93129 ?        ?        ?         ?        
1 1 1 17 36 0  o 388.4203 13.10457 1518.675   101.5476 1518.675   101.5476 1518.675   101.5476 388.4203 13.10457 388.4203 13.10457 -0.000000 0.000000 
1 1 1 17 36 1  f 31.01002 14.41174 -19.28837  21.55759 -19.28837  21.55759 ?          ?        31.01002 14.41174 ?        ?        ?         ?        
1 1 1 17 36 2  o 403.9932 9.619071 1637.810   77.72078 1637.810   77.72078 ?          ?        403.9932 9.619071 ?        ?        ?         ?        
1 1 1 17 36 3  o 238.3037 7.379850 569.0069   35.17290 569.0069   35.17290 ?          ?        238.3037 7.379850 ?        ?        ?         ?        
1 1 1 17 36 4  o 256.2657 7.526708 658.0737   38.57674 658.0737   38.57674 ?          ?        256.2657 7.526708 ?        ?        ?         ?        
1 1 1 17 36 5  o 164.4235 8.280643 271.1718   27.23064 271.1718   27.23064 ?          ?        164.4235 8.280643 ?        ?        ?         ?        
1 1 1 17 36 6  o 93.46992 12.13877 87.93227   22.69220 87.93227   22.69220 ?          ?        93.46992 12.13877 ?        ?        ?         ?        
1 1 1 17 36 7  o 161.9761 7.705279 263.2295   24.96142 263.2295   24.96142 ?          ?        161.9761 7.705279 ?        ?        ?         ?        
1 1 1 17 36 8  o 198.0163 7.735340 393.7097   30.63447 393.7097   30.63447 ?          ?        198.0163 7.735340 ?        ?        ?         ?        
1 1 1 17 36 9  o 199.3823 7.255546 399.3827   28.93255 399.3827   28.93255 ?          ?        199.3823 7.255546 ?        ?        ?         ?        
1 1 1 17 36 10 o 259.7364 8.627419 680.7659   44.81709 680.7659   44.81709 ?          ?        259.7364 8.627419 ?        ?        ?         ?        
1 1 1 17 36 11 o 81.87704 12.47174 68.64390   20.42298 68.64390   20.42298 ?          ?        81.87704 12.47174 ?        ?        ?         ?        
1 1 1 17 36 12 o 124.9007 8.856995 158.2781   22.12490 158.2781   22.12490 ?          ?        124.9007 8.856995 ?        ?        ?         ?        
1 1 1 17 36 13 o 96.01462 10.33992 94.73994   19.85567 94.73994   19.85567 ?          ?        96.01462 10.33992 ?        ?        ?         ?        
1 1 1 17 36 14 o 175.6005 7.430510 313.7196   26.09603 313.7196   26.09603 ?          ?        175.6005 7.430510 ?        ?        ?         ?        
1 1 1 17 37 0  o 258.7076 11.11815 674.5256   57.29780 674.5256   57.29780 674.5256   57.29780 258.7076 11.11815 258.7076 11.11815 -0.000000 0.000000 
1 1 1 17 37 1  o 304.9321 8.092873 932.0820   49.35553 932.0820   49.35553 ?          ?        304.9321 8.092873 ?        ?        ?         ?        
1 1 1 17 37 2  o 295.4297 7.969121 874.7842   47.08631 874.7842   47.08631 ?          ?        295.4297 7.969121 ?        ?        ?         ?        
1 1 1 17 37 3  o 300.1920 7.842699 903.1494   47.08631 903.1494   47.08631 ?          ?        300.1920 7.842699 ?        ?        ?         ?        
1 1 1 17 37 4  o 557.2630 13.59057 3128.687   151.4704 3128.687   151.4704 ?          ?        557.2630 13.59057 ?        ?        ?         ?        
1 1 1 17 37 5  o 256.6759 8.288247 660.9103   42.54787 660.9103   42.54787 ?          ?        256.6759 8.288247 ?        ?        ?         ?        
1 1 1 17 37 6  o 419.0780 10.01736 1765.453   83.96114 1765.453   83.96114 ?          ?        419.0780 10.01736 ?        ?        ?         ?        
1 1 1 17 37 7  o 305.4967 7.985066 937.1878   48.78823 937.1878   48.78823 ?          ?        305.4967 7.985066 ?        ?        ?         ?        
1 1 1 17 37 8  o 365.4255 9.780438 1344.513   71.48043 1344.513   71.48043 ?          ?        365.4255 9.780438 ?        ?        ?         ?        
1 1 1 17 37 9  o 252.9568 7.400894 643.3238   37.44213 643.3238   37.44213 ?          ?        252.9568 7.400894 ?        ?        ?         ?        
1 1 1 17 37 10 o 191.7756 7.543334 370.4502   28.93255 370.4502   28.93255 ?          ?        191.7756 7.543334 ?        ?        ?         ?        
1 1 1 17 37 11 o 209.4363 7.313553 442.4978   30.63447 442.4978   30.63447 ?          ?        209.4363 7.313553 ?        ?        ?         ?        
1 1 1 17 37 12 o 136.8361 8.291746 190.0471   22.69220 190.0471   22.69220 ?          ?        136.8361 8.291746 ?        ?        ?         ?        
1 1 1 17 37 13 o 26.34488 12.65025 -26.09603  19.28837 -26.09603  19.28837 ?          ?        26.34488 12.65025 ?        ?        ?         ?        
1 1 1 17 37 14 o 179.8898 7.253338 329.0369   26.09603 329.0369   26.09603 ?          ?        179.8898 7.253338 ?        ?        ?         ?        
1 1 1 17 38 0  o 323.7100 11.77583 1054.620   76.01886 1054.620   76.01886 1054.620   76.01886 323.7100 11.77583 323.7100 11.77583 -0.000000 0.000000 
1 1 1 17 38 1  o 188.7025 7.666181 356.8348   28.93255 356.8348   28.93255 ?          ?        188.7025 7.666181 ?        ?        ?         ?        
1 1 1 17 38 2  o 263.8926 7.416662 697.7851   39.14404 697.7851   39.14404 ?          ?        263.8926 7.416662 ?        ?        ?         ?        
1 1 1 17 38 3  o 151.3553 8.620781 229.7585   26.09603 229.7585   26.09603 ?          ?        151.3553 8.620781 ?        ?        ?         ?        
1 1 1 17 38 4  o 419.7538 11.48791 1772.828   96.44185 1772.828   96.44185 ?          ?        419.7538 11.48791 ?        ?        ?         ?        
1 1 1 17 38 5  o 210.5983 7.946644 444.7671   33.47099 444.7671   33.47099 ?          ?        210.5983 7.946644 ?        ?        ?         ?        
1 1 1 17 38 6  o 196.2123 7.951024 386.3347   31.20177 386.3347   31.20177 ?          ?        196.2123 7.951024 ?        ?        ?         ?        
1 1 1 17 38 7  f 281.0591 7.569204 793.0923   42.54787 793.0923   42.54787 ?          ?        281.0591 7.569204 ?        ?        ?         ?        
1 1 1 17 38 8  o 259.5393 9.071132 678.4968   47.08631 678.4968   47.08631 ?          ?        259.5393 9.071132 ?        ?        ?         ?        
1 1 1 17 38 9  o 88.07223 11.59445 78.85539   20.42298 78.85539   20.42298 ?          ?        88.07223 11.59445 ?        ?        ?         ?        
1 1 1 17 38 10 o 91.42609 11.16912 85.09574   20.42298 85.09574   20.42298 ?          ?        91.42609 11.16912 ?        ?        ?         ?        
1 1 1 17 38 11 o 104.7592 11.91371 112.3264   24.96142 112.3264   24.96142 ?          ?        104.7592 11.91371 ?        ?        ?         ?        
1 1 1 17 38 12 o 141.8914 7.996325 204.2298   22.69220 204.2298   22.69220 ?          ?        141.8914 7.996325 ?        ?        ?         ?        
1 1 1 17 38 13 o 136.6268 8.719666 190.6145   23.82681 190.6145   23.82681 ?          ?        136.6268 8.719666 ?        ?        ?         ?        
1 1 1 17 38 14 o 56.58279 17.38036 35.74022   21.55759 35.74022   21.55759 ?          ?        56.58279 17.38036 ?        ?        ?         ?        
1 1 1 17 39 0  o 183.4266 10.43151 340.3830   38.00943 340.3830   38.00943 340.3830   38.00943 183.4266 10.43151 183.4266 10.43151 -0.000000 0.000000 
1 1 1 17 39 1  o 281.1696 8.070643 792.5250   45.38440 792.5250   45.38440 ?          ?        281.1696 8.070643 ?        ?        ?         ?        
1 1 1 17 39 2  o 183.3277 8.045664 336.9791   29.49986 336.9791   29.49986 ?          ?        183.3277 8.045664 ?        ?        ?         ?        
1 1 1 17 39 3  o 217.1160 7.316152 472.5651   31.76908 472.5651   31.76908 ?          ?        217.1160 7.316152 ?        ?        ?         ?        
1 1 1 17 39 4  o 249.3853 7.506885 623.4681   37.44213 623.4681   37.44213 ?          ?        249.3853 7.506885 ?        ?        ?         ?        
1 1 1 17 39 5  o 324.6481 8.475113 1058.024   55.02858 1058.024   55.02858 ?          ?        324.6481 8.475113 ?        ?        ?         ?        
1 1 1 17 39 6  o 277.9294 7.858559 775.5059   43.68248 775.5059   43.68248 ?          ?        277.9294 7.858559 ?        ?        ?         ?        
1 1 1 17 39 7  o 116.0419 10.02203 135.5859   23.25950 135.5859   23.25950 ?          ?        116.0419 10.02203 ?        ?        ?         ?        
1 1 1 17 39 8  o 187.1253 8.337134 352.2964   31.20177 352.2964   31.20177 ?          ?        187.1253 8.337134 ?        ?        ?         ?        
1 1 1 17 39 9  o 120.5625 9.410967 146.9320   22.69220 146.9320   22.69220 ?          ?        120.5625 9.410967 ?        ?        ?         ?        
1 1 1 17 39 10 o 199.0960 7.123511 399.3827   28.36525 399.3827   28.36525 ?          ?        199.0960 7.123511 ?        ?        ?         ?        
1 1 1 17 39 11 o 87.78763 11.63204 78.85539   20.42298 78.85539   20.42298 ?          ?        87.78763 11.63204 ?        ?        ?         ?        
1 1 1 17 39 12 o 222.9140 7.507604 503.7668   33.47099 503.7668   33.47099 ?          ?        222.9140 7.507604 ?        ?        ?         ?        
1 1 1 17 39 13 o 166.9045 7.137856 282.5179   23.82681 282.5179   23.82681 ?          ?        166.9045 7.137856 ?        ?        ?         ?        
1 1 1 17 39 14 o 104.8626 10.27897 114.0283   21.55759 114.0283   21.55759 ?          ?        104.8626 10.27897 ?        ?        ?         ?        
1 1 1 17 40 0  o 820.3827 30.10005 6889.919   492.4207 6889.919   492.4207 6889.919   492.4207 820.3827 30.10005 820.3827 30.10005 -0.000000 0.000000 
1 1 1 17 40 1  o 161.6468 8.247403 262.0949   26.66333 262.0949   26.66333 ?          ?        161.6468 8.247403 ?        ?        ?         ?        
1 1 1 17 40 2  o 188.9407 7.656518 357.9694   28.93255 357.9694   28.93255 ?          ?        188.9407 7.656518 ?        ?        ?         ?        
1 1 1 17 40 3  o 274.8369 7.740568 757.3521   42.54787 757.3521   42.54787 ?          ?        274.8369 7.740568 ?        ?        ?         ?        
1 1 1 17 40 4  o 172.2994 8.066758 297.8351   27.79794 297.8351   27.79794 ?          ?        172.2994 8.066758 ?        ?        ?         ?        
1 1 1 17 40 5  o 141.2176 8.637064 200.2587   24.39412 200.2587   24.39412 ?          ?        141.2176 8.637064 ?        ?        ?         ?        
1 1 1 17 40 6  o 53.01581 18.37983 26.09603   23.82681 26.09603   23.82681 ?          ?        53.01581 18.37983 ?        ?        ?         ?        
1 1 1 17 40 7  o 145.6156 8.570996 213.3067   24.96142 213.3067   24.96142 ?          ?        145.6156 8.570996 ?        ?        ?         ?        
1 1 1 17 40 8  o 325.6275 8.362512 1068.235   54.46128 1068.235   54.46128 ?          ?        325.6275 8.362512 ?        ?        ?         ?        
1 1 1 17 40 9  o 166.9857 7.474119 280.8159   24.96142 280.8159   24.96142 ?          ?        166.9857 7.474119 ?        ?        ?         ?        
1 1 1 17 40 10 o 191.2578 7.712069 369.3155   29.49986 369.3155   29.49986 ?          ?        191.2578 7.712069 ?        ?        ?         ?        
1 1 1 17 40 11 o 125.5930 8.582321 159.9800   21.55759 159.9800   21.55759 ?          ?        125.5930 8.582321 ?        ?        ?         ?        
1 1 1 17 40 12 o 175.2484 8.254725 312.5851   28.93255 312.5851   28.93255 ?          ?        175.2484 8.254725 ?        ?        ?         ?        
1 1 1 17 40 13 o 88.81609 11.81671 82.25922   20.99029 82.25922   20.99029 ?          ?        88.81609 11.81671 ?        ?        ?         ?        
1 1 1 17 40 14 o 34.14895 15.38119 -7.374964  22.12490 -7.374964  22.12490 ?          ?        34.14895 15.38119 ?        ?        ?         ?        
1 1 1 17 41 0  o 281.7319 12.33408 801.0346   69.21120 801.0346   69.21120 801.0346   69.21120 281.7319 12.33408 281.7319 12.33408 -0.000000 0.000000 
1 1 1 17 41 1  o 32.75741 15.05187 -17.01915  22.69220 -17.01915  22.69220 ?          ?        32.75741 15.05187 ?        ?        ?         ?        
1 1 1 17 41 2  o 149.0437 9.135118 222.9509   27.23064 222.9509   27.23064 ?          ?        149.0437 9.135118 ?        ?        ?         ?        
1 1 1 17 41 3  o 292.7020 8.043388 859.4670   47.08631 859.4670   47.08631 ?          ?        292.7020 8.043388 ?        ?        ?         ?        
1 1 1 17 41 4  o 229.7182 7.408708 529.2956   34.03830 529.2956   34.03830 ?          ?        229.7182 7.408708 ?        ?        ?         ?        
1 1 1 17 41 5  o 103.0823 11.55718 107.2206   23.82681 107.2206   23.82681 ?          ?        103.0823 11.55718 ?        ?        ?         ?        
1 1 1 17 41 6  o 177.2122 8.003189 315.4216   28.36525 315.4216   28.36525 ?          ?        177.2122 8.003189 ?        ?        ?         ?        
1 1 1 17 41 7  o 253.5242 7.719982 646.1603   39.14404 646.1603   39.14404 ?          ?        253.5242 7.719982 ?        ?        ?         ?        
1 1 1 17 41 8  o 34.47448 15.81805 -17.01915  24.96142 -17.01915  24.96142 ?          ?        34.47448 15.81805 ?        ?        ?         ?        
1 1 1 17 41 9  o 34.31359 15.06676 -3.971134  19.85567 -3.971134  19.85567 ?          ?        34.31359 15.06676 ?        ?        ?         ?        
1 1 1 17 41 10 o 233.1388 7.056674 548.0166   32.90369 548.0166   32.90369 ?          ?        233.1388 7.056674 ?        ?        ?         ?        
1 1 1 17 41 11 o 197.0331 7.486016 393.1424   29.49986 393.1424   29.49986 ?          ?        197.0331 7.486016 ?        ?        ?         ?        
1 1 1 17 41 12 o 120.7457 9.631608 149.2012   23.25950 149.2012   23.25950 ?          ?        120.7457 9.631608 ?        ?        ?         ?        
1 1 1 17 41 13 f 119.0293 9.532192 145.7974   22.69220 145.7974   22.69220 ?          ?        119.0293 9.532192 ?        ?        ?         ?        
1 1 1 17 42 0  o 23.48656 16.75559 -38.00943  31.76908 -38.00943  31.76908 -38.00943  31.76908 23.48656 16.75559 23.48656 16.75559 -0.000000 0.000000 
1 1 1 17 42 1  o 96.14234 11.80136 93.03801   22.69220 93.03801   22.69220 ?          ?        96.14234 11.80136 ?        ?        ?         ?        
1 1 1 17 42 2  o 147.6673 9.028176 218.9797   26.66333 218.9797   26.66333 ?          ?        147.6673 9.028176 ?        ?        ?         ?        
1 1 1 17 42 3  o 102.8770 11.85596 106.6533   24.39412 106.6533   24.39412 ?          ?        102.8770 11.85596 ?        ?        ?         ?        
1 1 1 17 42 4  o 94.24413 12.03905 89.63419   22.69220 89.63419   22.69220 ?          ?        94.24413 12.03905 ?        ?        ?         ?        
1 1 1 17 42 5  o 234.7612 7.249558 553.1223   34.03830 553.1223   34.03830 ?          ?        234.7612 7.249558 ?        ?        ?         ?        
1 1 1 17 42 6  o 211.3622 7.381114 448.7382   31.20177 448.7382   31.20177 ?          ?        211.3622 7.381114 ?        ?        ?         ?        
1 1 1 17 42 7  o 78.47476 14.26184 64.67276   21.55759 64.67276   21.55759 ?          ?        78.47476 14.26184 ?        ?        ?         ?        
1 1 1 17 42 8  o 77.65273 14.02944 63.53815   20.99029 63.53815   20.99029 ?          ?        77.65273 14.02944 ?        ?        ?         ?        
1 1 1 17 42 9  o 108.8722 9.900414 120.2687   21.55759 120.2687   21.55759 ?          ?        108.8722 9.900414 ?        ?        ?         ?        
1 1 1 17 42 10 o 45.98921 16.47751 19.28837   19.28837 19.28837   19.28837 ?          ?        45.98921 16.47751 ?        ?        ?         ?        
1 1 1 17 42 11 o 125.9467 9.233870 161.6819   23.25950 161.6819   23.25950 ?          ?        125.9467 9.233870 ?        ?        ?         ?        
1 1 1 17 42 12 o 127.9538 8.202292 166.7877   20.99029 166.7877   20.99029 ?          ?        127.9538 8.202292 ?        ?        ?         ?        
1 1 1 17 42 13 o 130.5868 9.340194 175.2972   24.39412 175.2972   24.39412 ?          ?        130.5868 9.340194 ?        ?        ?         ?        
1 1 1 17 43 0  o 387.5511 13.42924 1514.704   103.8168 1514.704   103.8168 1514.704   103.8168 387.5511 13.42924 387.5511 13.42924 -0.000000 0.000000 
1 1 1 17 43 1  o 57.07129 17.89322 32.90369   22.69220 32.90369   22.69220 ?          ?        57.07129 17.89322 ?        ?        ?         ?        
1 1 1 17 43 2  o 122.7221 10.16990 151.4704   24.96142 151.4704   24.96142 ?          ?        122.7221 10.16990 ?        ?        ?         ?        
1 1 1 17 43 3  o 230.7894 7.251416 534.4012   33.47099 534.4012   33.47099 ?          ?        230.7894 7.251416 ?        ?        ?         ?        
1 1 1 17 43 4  o 294.4557 7.899154 870.8131   46.51900 870.8131   46.51900 ?          ?        294.4557 7.899154 ?        ?        ?         ?        
1 1 1 17 43 5  o 227.6602 7.226491 520.2186   32.90369 520.2186   32.90369 ?          ?        227.6602 7.226491 ?        ?        ?         ?        
1 1 1 17 43 6  f 143.1971 8.913840 206.4990   25.52872 206.4990   25.52872 ?          ?        143.1971 8.913840 ?        ?        ?         ?        
1 1 1 17 43 7  o 32.44762 14.88980 -15.31723  22.12490 -15.31723  22.12490 ?          ?        32.44762 14.88980 ?        ?        ?         ?        
1 1 1 17 43 8  o 112.7818 9.557215 128.7782   21.55759 128.7782   21.55759 ?          ?        112.7818 9.557215 ?        ?        ?         ?        
1 1 1 17 43 9  o 251.9870 7.654509 641.0546   38.57674 641.0546   38.57674 ?          ?        251.9870 7.654509 ?        ?        ?         ?        
1 1 1 17 43 10 f 111.5484 9.408597 126.5090   20.99029 126.5090   20.99029 ?          ?        111.5484 9.408597 ?        ?        ?         ?        
1 1 1 17 43 11 o 124.8647 8.405209 158.8454   20.99029 158.8454   20.99029 ?          ?        124.8647 8.405209 ?        ?        ?         ?        
1 1 1 17 43 12 o 256.0001 7.977724 667.1506   40.84595 667.1506   40.84595 ?          ?        256.0001 7.977724 ?        ?        ?         ?        
1 1 1 17 43 13 f 125.2525 10.41737 162.8165   26.09603 162.8165   26.09603 ?          ?        125.2525 10.41737 ?        ?        ?         ?        
1 1 1 17 44 0  o 93.08594 24.01929 103.2495   38.57674 103.2495   38.57674 103.2495   38.57674 93.08594 24.01929 93.08594 24.01929 -0.000000 0.000000 
1 1 1 17 44 1  o 63.17228 17.09570 41.98057   22.12490 41.98057   22.12490 ?          ?        63.17228 17.09570 ?        ?        ?         ?        
1 1 1 17 44 2  o 139.9656 8.511666 196.8548   23.82681 196.8548   23.82681 ?          ?        139.9656 8.511666 ?        ?        ?         ?        
1 1 1 17 44 3  o 37.46133 16.62611 -8.509575  24.96142 -8.509575  24.96142 ?          ?        37.46133 16.62611 ?        ?        ?         ?        
1 1 1 17 44 4  o 148.0164 8.240340 220.1143   24.39412 220.1143   24.39412 ?          ?        148.0164 8.240340 ?        ?        ?         ?        
1 1 1 17 44 5  o 116.5181 11.19827 137.2878   26.09603 137.2878   26.09603 ?          ?        116.5181 11.19827 ?        ?        ?         ?        
1 1 1 17 44 6  o 127.0035 9.603721 162.8165   24.39412 162.8165   24.39412 ?          ?        127.0035 9.603721 ?        ?        ?         ?        
1 1 1 17 44 7  o 182.3318 7.467333 334.7099   27.23064 334.7099   27.23064 ?          ?        182.3318 7.467333 ?        ?        ?         ?        
1 1 1 17 44 8  o 128.8152 9.028242 167.9223   23.25950 167.9223   23.25950 ?          ?        128.8152 9.028242 ?        ?        ?         ?        
1 1 1 17 44 9  o 78.97978 12.92924 64.10546   20.42298 64.10546   20.42298 ?          ?        78.97978 12.92924 ?        ?        ?         ?        
1 1 1 17 44 10 o 123.7846 9.853455 156.5762   24.39412 156.5762   24.39412 ?          ?        123.7846 9.853455 ?        ?        ?         ?        
1 1 1 17 44 11 o 72.64087 15.67511 57.86510   22.12490 57.86510   22.12490 ?          ?        72.64087 15.67511 ?        ?        ?         ?        
1 1 1 17 44 12 o 145.4203 8.387454 216.1432   24.39412 216.1432   24.39412 ?          ?        145.4203 8.387454 ?        ?        ?         ?        
1 1 1 17 44 13 o 180.0887 7.560341 330.7388   27.23064 330.7388   27.23064 ?          ?        180.0887 7.560341 ?        ?        ?         ?        
1 1 1 17 45 0  o 67.40652 26.99910 64.10546   35.17290 64.10546   35.17290 64.10546   35.17290 67.40652 26.99910 67.40652 26.99910 -0.000000 0.000000 
1 1 1 17 45 1  f 183.6505 7.722619 338.6811   28.36525 338.6811   28.36525 ?          ?        183.6505 7.722619 ?        ?        ?         ?        
1 1 1 17 45 2  o 139.1092 8.971881 194.5856   24.96142 194.5856   24.96142 ?          ?        139.1092 8.971881 ?        ?        ?         ?        
1 1 1 17 45 3  o 272.1693 8.962848 744.8714   48.78823 744.8714   48.78823 ?          ?        272.1693 8.962848 ?        ?        ?         ?        
1 1 1 17 45 4  o 147.4880 8.846834 218.9797   26.09603 218.9797   26.09603 ?          ?        147.4880 8.846834 ?        ?        ?         ?        
1 1 1 17 45 5  o 93.30167 13.68074 88.49958   25.52872 88.49958   25.52872 ?          ?        93.30167 13.68074 ?        ?        ?         ?        
1 1 1 17 45 6  o 150.7460 8.279297 229.1912   24.96142 229.1912   24.96142 ?          ?        150.7460 8.279297 ?        ?        ?         ?        
1 1 1 17 45 7  o 42.81009 16.81079 11.91340   20.99029 11.91340   20.99029 ?          ?        42.81009 16.81079 ?        ?        ?         ?        
1 1 1 17 45 8  o 261.8920 7.581626 692.1121   39.71135 692.1121   39.71135 ?          ?        261.8920 7.581626 ?        ?        ?         ?        
1 1 1 17 45 9  o 183.8961 7.558057 341.5176   27.79794 341.5176   27.79794 ?          ?        183.8961 7.558057 ?        ?        ?         ?        
1 1 1 17 45 10 o 147.5706 7.688592 220.6816   22.69220 220.6816   22.69220 ?          ?        147.5706 7.688592 ?        ?        ?         ?        
1 1 1 17 45 11 o 238.4524 8.445848 579.7856   40.27865 579.7856   40.27865 ?          ?        238.4524 8.445848 ?        ?        ?         ?        
1 1 1 17 45 12 o 219.0532 7.251452 487.8823   31.76908 487.8823   31.76908 ?          ?        219.0532 7.251452 ?        ?        ?         ?        
1 1 1 17 46 0  o 129.6542 14.30495 175.2972   36.30752 175.2972   36.30752 175.2972   36.30752 129.6542 14.30495 129.6542 14.30495 -0.000000 0.000000 
1 1 1 17 46 1  o 148.3336 8.987622 221.2489   26.66333 221.2489   26.66333 ?          ?        148.3336 8.987622 ?        ?        ?         ?        
1 1 1 17 46 2  o 307.9728 8.197174 953.0723   50.49014 953.0723   50.49014 ?          ?        307.9728 8.197174 ?        ?        ?         ?        
1 1 1 17 46 3  o 286.8849 8.107607 827.6979   46.51900 827.6979   46.51900 ?          ?        286.8849 8.107607 ?        ?        ?         ?        
1 1 1 17 46 4  o 314.4458 8.118641 994.4856   51.05745 994.4856   51.05745 ?          ?        314.4458 8.118641 ?        ?        ?         ?        
1 1 1 17 46 5  o 252.0033 7.541455 639.3527   38.00943 639.3527   38.00943 ?          ?        252.0033 7.541455 ?        ?        ?         ?        
1 1 1 17 46 6  o 218.7316 8.040199 482.2092   35.17290 482.2092   35.17290 ?          ?        218.7316 8.040199 ?        ?        ?         ?        
1 1 1 17 46 7  o 67.91026 17.11878 49.92284   23.25950 49.92284   23.25950 ?          ?        67.91026 17.11878 ?        ?        ?         ?        
1 1 1 17 46 8  o 75.56073 16.59332 61.83624   24.39412 61.83624   24.39412 ?          ?        75.56073 16.59332 ?        ?        ?         ?        
1 1 1 17 46 9  o 74.05806 14.69377 58.99971   20.99029 58.99971   20.99029 ?          ?        74.05806 14.69377 ?        ?        ?         ?        
1 1 1 17 46 10 o 145.7141 9.343859 217.2778   27.23064 217.2778   27.23064 ?          ?        145.7141 9.343859 ?        ?        ?         ?        
1 1 1 17 46 11 o 115.1318 11.33311 137.2878   26.09603 137.2878   26.09603 ?          ?        115.1318 11.33311 ?        ?        ?         ?        
1 1 1 17 46 12 o 195.4271 7.547535 389.1712   29.49986 389.1712   29.49986 ?          ?        195.4271 7.547535 ?        ?        ?         ?        
1 1 1 17 47 0  o 485.3793 16.05089 2388.354   155.4416 2388.354   155.4416 2388.354   155.4416 485.3793 16.05089 485.3793 16.05089 -0.000000 0.000000 
1 1 1 17 47 1  o 144.3807 9.037230 209.9028   26.09603 209.9028   26.09603 ?          ?        144.3807 9.037230 ?        ?        ?         ?        
1 1 1 17 47 2  f 320.8119 8.488040 1035.899   54.46128 1035.899   54.46128 ?          ?        320.8119 8.488040 ?        ?        ?         ?        
1 1 1 17 47 3  o 278.7055 8.040225 781.1789   44.81709 781.1789   44.81709 ?          ?        278.7055 8.040225 ?        ?        ?         ?        
1 1 1 17 47 4  o 211.8344 7.498563 451.5747   31.76908 451.5747   31.76908 ?          ?        211.8344 7.498563 ?        ?        ?         ?        
1 1 1 17 47 5  o 313.4818 8.324575 991.0818   52.19205 991.0818   52.19205 ?          ?        313.4818 8.324575 ?        ?        ?         ?        
1 1 1 17 47 6  o 143.9659 8.472183 209.3355   24.39412 209.3355   24.39412 ?          ?        143.9659 8.472183 ?        ?        ?         ?        
1 1 1 17 47 7  o 166.7002 8.167548 280.8159   27.23064 280.8159   27.23064 ?          ?        166.7002 8.167548 ?        ?        ?         ?        
1 1 1 17 47 8  o 138.4670 8.398934 194.0183   23.25950 194.0183   23.25950 ?          ?        138.4670 8.398934 ?        ?        ?         ?        
1 1 1 17 47 9  o 208.5853 7.615369 440.7959   31.76908 440.7959   31.76908 ?          ?        208.5853 7.615369 ?        ?        ?         ?        
1 1 1 17 47 10 o 58.43619 17.53963 37.44213   22.12490 37.44213   22.12490 ?          ?        58.43619 17.53963 ?        ?        ?         ?        
1 1 1 17 47 11 o 140.7605 9.471173 203.6625   26.66333 203.6625   26.66333 ?          ?        140.7605 9.471173 ?        ?        ?         ?        
1 1 1 17 47 12 o 40.32084 16.72571 7.942269   22.12490 7.942269   22.12490 ?          ?        40.32084 16.72571 ?        ?        ?         ?        
1 1 1 17 48 0  o 56.55336 26.55725 48.22092   33.47099 48.22092   33.47099 48.22092   33.47099 56.55336 26.55725 56.55336 26.55725 -0.000000 0.000000 
1 1 1 17 48 1  o 82.55777 16.38708 72.04772   26.09603 72.04772   26.09603 ?          ?        82.55777 16.38708 ?        ?        ?         ?        
1 1 1 17 48 2  o 320.7429 8.312994 1035.332   53.32666 1035.332   53.32666 ?          ?        320.7429 8.312994 ?        ?        ?         ?        
1 1 1 17 48 3  o 243.0643 7.935500 595.1030   38.57674 595.1030   38.57674 ?          ?        243.0643 7.935500 ?        ?        ?         ?        
1 1 1 17 48 4  o 42.19490 17.28257 7.374964   23.25950 7.374964   23.25950 ?          ?        42.19490 17.28257 ?        ?        ?         ?        
1 1 1 17 48 5  o 37.10124 16.20001 -3.403830  22.69220 -3.403830  22.69220 ?          ?        37.10124 16.20001 ?        ?        ?         ?        
1 1 1 17 48 6  o 123.4129 9.423452 154.3070   23.25950 154.3070   23.25950 ?          ?        123.4129 9.423452 ?        ?        ?         ?        
1 1 1 17 48 7  o 163.6632 9.358998 271.7391   30.63447 271.7391   30.63447 ?          ?        163.6632 9.358998 ?        ?        ?         ?        
1 1 1 17 48 8  o 199.2850 7.686097 401.6519   30.63447 401.6519   30.63447 ?          ?        199.2850 7.686097 ?        ?        ?         ?        
1 1 1 17 48 9  f 38.77892 16.54947 2.269220   22.69220 2.269220   22.69220 ?          ?        38.77892 16.54947 ?        ?        ?         ?        
1 1 1 17 48 10 f 27.01711 13.09792 -34.60560  22.12490 -34.60560  22.12490 ?          ?        27.01711 13.09792 ?        ?        ?         ?        
1 1 1 17 48 11 o 86.54287 13.76590 79.42269   23.82681 79.42269   23.82681 ?          ?        86.54287 13.76590 ?        ?        ?         ?        
1 1 1 17 49 0  o 208.7505 11.21040 442.4978   46.51900 442.4978   46.51900 442.4978   46.51900 208.7505 11.21040 208.7505 11.21040 -0.000000 0.000000 
1 1 1 17 49 1  o 67.80122 17.46751 49.35553   23.82681 49.35553   23.82681 ?          ?        67.80122 17.46751 ?        ?        ?         ?        
1 1 1 17 49 2  o 176.6804 8.348368 314.8543   29.49986 314.8543   29.49986 ?          ?        176.6804 8.348368 ?        ?        ?         ?        
1 1 1 17 49 3  o 333.2675 8.681480 1120.995   57.86510 1120.995   57.86510 ?          ?        333.2675 8.681480 ?        ?        ?         ?        
1 1 1 17 49 4  o 41.24343 17.01136 6.240355   22.69220 6.240355   22.69220 ?          ?        41.24343 17.01136 ?        ?        ?         ?        
1 1 1 17 49 5  o 260.7542 7.723491 685.8717   40.27865 685.8717   40.27865 ?          ?        260.7542 7.723491 ?        ?        ?         ?        
1 1 1 17 49 6  o 119.1680 10.71123 144.6628   25.52872 144.6628   25.52872 ?          ?        119.1680 10.71123 ?        ?        ?         ?        
1 1 1 17 49 7  o 30.99930 14.75693 -29.49986  24.96142 -29.49986  24.96142 ?          ?        30.99930 14.75693 ?        ?        ?         ?        
1 1 1 17 49 8  o 140.5696 8.475094 200.8260   23.82681 200.8260   23.82681 ?          ?        140.5696 8.475094 ?        ?        ?         ?        
1 1 1 17 49 9  o 84.72485 13.05691 74.88425   22.12490 74.88425   22.12490 ?          ?        84.72485 13.05691 ?        ?        ?         ?        
1 1 1 17 49 10 o 115.5944 9.815443 137.2878   22.69220 137.2878   22.69220 ?          ?        115.5944 9.815443 ?        ?        ?         ?        
1 1 1 17 49 11 o 285.5180 8.047078 832.8038   45.95170 832.8038   45.95170 ?          ?        285.5180 8.047078 ?        ?        ?         ?        
1 1 1 17 50 0  o 25.72618 18.07000 -29.49986  33.47099 -29.49986  33.47099 -29.49986  33.47099 25.72618 18.07000 25.72618 18.07000 -0.000000 0.000000 
1 1 1 17 50 1  o 103.1670 12.09758 108.3553   24.96142 108.3553   24.96142 ?          ?        103.1670 12.09758 ?        ?        ?         ?        
1 1 1 17 50 2  o 100.1922 11.89055 102.1149   23.82681 102.1149   23.82681 ?          ?        100.1922 11.89055 ?        ?        ?         ?        
1 1 1 17 50 3  o 94.86548 12.85721 91.90340   24.39412 91.90340   24.39412 ?          ?        94.86548 12.85721 ?        ?        ?         ?        
1 1 1 17 50 4  o 124.8598 10.22295 158.2781   25.52872 158.2781   25.52872 ?          ?        124.8598 10.22295 ?        ?        ?         ?        
1 1 1 17 50 5  o 139.3515 9.363385 196.8548   26.09603 196.8548   26.09603 ?          ?        139.3515 9.363385 ?        ?        ?         ?        
1 1 1 17 50 6  o 241.6891 7.393842 589.4299   35.74022 589.4299   35.74022 ?          ?        241.6891 7.393842 ?        ?        ?         ?        
1 1 1 17 50 7  o 34.51250 15.37458 -6.807660  21.55759 -6.807660  21.55759 ?          ?        34.51250 15.37458 ?        ?        ?         ?        
1 1 1 17 50 8  o 79.27644 15.94607 68.64390   24.39412 68.64390   24.39412 ?          ?        79.27644 15.94607 ?        ?        ?         ?        
1 1 1 17 50 9  o 85.30759 13.96523 76.58617   23.82681 76.58617   23.82681 ?          ?        85.30759 13.96523 ?        ?        ?         ?        
1 1 1 17 50 10 o 30.72317 14.38922 -18.72106  22.12490 -18.72106  22.12490 ?          ?        30.72317 14.38922 ?        ?        ?         ?        
1 1 1 17 50 11 o 63.38382 17.38540 45.95170   22.69220 45.95170   22.69220 ?          ?        63.38382 17.38540 ?        ?        ?         ?        
1 1 1 17 51 0  o 221.8678 10.27502 498.6611   45.38440 498.6611   45.38440 498.6611   45.38440 221.8678 10.27502 221.8678 10.27502 -0.000000 0.000000 
1 1 1 17 51 1  o 231.6030 7.838310 540.6417   36.30752 540.6417   36.30752 ?          ?        231.6030 7.838310 ?        ?        ?         ?        
1 1 1 17 51 2  o 319.7257 8.516876 1032.495   54.46128 1032.495   54.46128 ?          ?        319.7257 8.516876 ?        ?        ?         ?        
1 1 1 17 51 3  o 137.9412 9.664743 192.8837   26.66333 192.8837   26.66333 ?          ?        137.9412 9.664743 ?        ?        ?         ?        
1 1 1 17 51 4  o 38.32439 16.56406 -1.134610  23.25950 -1.134610  23.25950 ?          ?        38.32439 16.56406 ?        ?        ?         ?        
1 1 1 17 51 5  o 176.2165 7.887439 313.7196   27.79794 313.7196   27.79794 ?          ?        176.2165 7.887439 ?        ?        ?         ?        
1 1 1 17 51 6  o 133.7577 9.118771 181.5376   24.39412 181.5376   24.39412 ?          ?        133.7577 9.118771 ?        ?        ?         ?        
1 1 1 17 51 7  o 115.2632 11.32019 136.7205   26.09603 136.7205   26.09603 ?          ?        115.2632 11.32019 ?        ?        ?         ?        
1 1 1 17 51 8  o 85.26627 13.30667 76.01886   22.69220 76.01886   22.69220 ?          ?        85.26627 13.30667 ?        ?        ?         ?        
1 1 1 17 51 9  o 206.3819 7.971556 433.4210   32.90369 433.4210   32.90369 ?          ?        206.3819 7.971556 ?        ?        ?         ?        
1 1 1 17 51 10 o 113.9427 11.20243 135.0186   25.52872 135.0186   25.52872 ?          ?        113.9427 11.20243 ?        ?        ?         ?        
1 1 1 17 52 0  o 173.4120 12.39507 308.6139   42.54787 308.6139   42.54787 308.6139   42.54787 173.4120 12.39507 173.4120 12.39507 -0.000000 0.000000 
1 1 1 17 52 1  o 111.3602 11.71694 126.5090   26.09603 126.5090   26.09603 ?          ?        111.3602 11.71694 ?        ?        ?         ?        
1 1 1 17 52 2  o 45.15256 18.24533 10.77879   25.52872 10.77879   25.52872 ?          ?        45.15256 18.24533 ?        ?        ?         ?        
1 1 1 17 52 3  o 47.77269 17.95361 18.72106   23.25950 18.72106   23.25950 ?          ?        47.77269 17.95361 ?        ?        ?         ?        
1 1 1 17 52 4  o 208.1025 7.769340 437.3921   32.33638 437.3921   32.33638 ?          ?        208.1025 7.769340 ?        ?        ?         ?        
1 1 1 17 52 5  o 228.6297 7.816181 528.1609   35.74022 528.1609   35.74022 ?          ?        228.6297 7.816181 ?        ?        ?         ?        
1 1 1 17 52 6  o 146.9227 8.880872 219.5470   26.09603 219.5470   26.09603 ?          ?        146.9227 8.880872 ?        ?        ?         ?        
1 1 1 17 52 7  o 123.5034 10.33523 156.5762   25.52872 156.5762   25.52872 ?          ?        123.5034 10.33523 ?        ?        ?         ?        
1 1 1 17 52 8  f 27.94031 13.51999 -35.17290  23.25950 -35.17290  23.25950 ?          ?        27.94031 13.51999 ?        ?        ?         ?        
1 1 1 17 52 9  o 95.06292 11.63697 94.17262   22.12490 94.17262   22.12490 ?          ?        95.06292 11.63697 ?        ?        ?         ?        
1 1 1 17 52 10 f 28.77876 13.70653 -23.82681  21.55759 -23.82681  21.55759 ?          ?        28.77876 13.70653 ?        ?        ?         ?        
1 1 1 17 53 0  o 33.54981 22.94361 -19.85567  45.95170 -19.85567  45.95170 -19.85567  45.95170 33.54981 22.94361 33.54981 22.94361 -0.000000 0.000000 
1 1 1 17 53 1  o 104.5397 11.93872 111.7591   24.96142 111.7591   24.96142 ?          ?        104.5397 11.93872 ?        ?        ?         ?        
1 1 1 17 53 2  o 239.7098 7.809886 580.3530   37.44213 580.3530   37.44213 ?          ?        239.7098 7.809886 ?        ?        ?         ?        
1 1 1 17 53 3  o 262.9504 8.090474 698.9197   42.54787 698.9197   42.54787 ?          ?        262.9504 8.090474 ?        ?        ?         ?        
1 1 1 17 53 4  o 31.79481 14.85098 -20.42298  23.25950 -20.42298  23.25950 ?          ?        31.79481 14.85098 ?        ?        ?         ?        
1 1 1 17 53 5  o 30.50915 14.58703 -31.20177  24.96142 -31.20177  24.96142 ?          ?        30.50915 14.58703 ?        ?        ?         ?        
1 1 1 17 53 6  o 187.7028 8.009249 357.4021   30.06716 357.4021   30.06716 ?          ?        187.7028 8.009249 ?        ?        ?         ?        
1 1 1 17 53 7  o 152.4192 8.560609 236.5662   26.09603 236.5662   26.09603 ?          ?        152.4192 8.560609 ?        ?        ?         ?        
1 1 1 17 53 8  o 95.79286 12.73274 95.87454   24.39412 95.87454   24.39412 ?          ?        95.79286 12.73274 ?        ?        ?         ?        
1 1 1 17 53 9  o 111.9335 11.40353 130.4801   25.52872 130.4801   25.52872 ?          ?        111.9335 11.40353 ?        ?        ?         ?        
1 1 1 17 53 10 o 141.8677 9.597195 207.6336   27.23064 207.6336   27.23064 ?          ?        141.8677 9.597195 ?        ?        ?         ?        
1 1 1 17 54 0  o 131.2749 15.03017 182.1049   38.57674 182.1049   38.57674 182.1049   38.57674 131.2749 15.03017 131.2749 15.03017 -0.000000 0.000000 
1 1 1 17 54 1  o 135.1266 8.816476 184.9414   23.82681 184.9414   23.82681 ?          ?        135.1266 8.816476 ?        ?        ?         ?        
1 1 1 17 54 2  o 231.1021 8.591733 540.6417   39.71135 540.6417   39.71135 ?          ?        231.1021 8.591733 ?        ?        ?         ?        
1 1 1 17 54 3  o 114.0969 10.69008 132.7494   24.39412 132.7494   24.39412 ?          ?        114.0969 10.69008 ?        ?        ?         ?        
1 1 1 17 54 4  f 217.7960 7.684025 479.9400   33.47099 479.9400   33.47099 ?          ?        217.7960 7.684025 ?        ?        ?         ?        
1 1 1 17 54 5  o 262.1043 7.900149 696.6505   41.41326 696.6505   41.41326 ?          ?        262.1043 7.900149 ?        ?        ?         ?        
1 1 1 17 54 6  o 58.25465 19.04831 36.87482   25.52872 36.87482   25.52872 ?          ?        58.25465 19.04831 ?        ?        ?         ?        
1 1 1 17 54 7  o 94.20502 13.24846 93.03801   24.96142 93.03801   24.96142 ?          ?        94.20502 13.24846 ?        ?        ?         ?        
1 1 1 17 54 8  o 43.37950 17.33676 13.04801   22.69220 13.04801   22.69220 ?          ?        43.37950 17.33676 ?        ?        ?         ?        
1 1 1 17 54 9  o 218.3746 7.793558 486.7477   34.03830 486.7477   34.03830 ?          ?        218.3746 7.793558 ?        ?        ?         ?        
1 1 1 17 55 0  o 68.43519 26.36680 66.37468   34.03830 66.37468   34.03830 66.37468   34.03830 68.43519 26.36680 68.43519 26.36680 -0.000000 0.000000 
1 1 1 17 55 1  o 118.0777 11.05036 142.3935   26.09603 142.3935   26.09603 ?          ?        118.0777 11.05036 ?        ?        ?         ?        
1 1 1 17 55 2  f 133.7248 10.81795 182.6722   28.93255 182.6722   28.93255 ?          ?        133.7248 10.81795 ?        ?        ?         ?        
1 1 1 17 55 3  o 92.78160 12.84027 89.06688   23.82681 89.06688   23.82681 ?          ?        92.78160 12.84027 ?        ?        ?         ?        
1 1 1 17 55 4  o 156.4814 8.700920 249.0469   27.23064 249.0469   27.23064 ?          ?        156.4814 8.700920 ?        ?        ?         ?        
1 1 1 17 55 5  o 155.4855 8.391789 246.2104   26.09603 246.2104   26.09603 ?          ?        155.4855 8.391789 ?        ?        ?         ?        
1 1 1 17 55 6  o 48.48067 17.61994 22.12490   22.12490 22.12490   22.12490 ?          ?        48.48067 17.61994 ?        ?        ?         ?        
1 1 1 17 55 7  o 101.4026 12.30807 107.2206   24.96142 107.2206   24.96142 ?          ?        101.4026 12.30807 ?        ?        ?         ?        
1 1 1 17 55 8  o 185.7731 8.397820 352.8637   31.20177 352.8637   31.20177 ?          ?        185.7731 8.397820 ?        ?        ?         ?        
1 1 1 17 55 9  o 47.41888 18.39222 19.28837   24.96142 19.28837   24.96142 ?          ?        47.41888 18.39222 ?        ?        ?         ?        
1 1 1 17 56 0  o 102.1296 19.90400 118.5667   36.30752 118.5667   36.30752 118.5667   36.30752 102.1296 19.90400 102.1296 19.90400 -0.000000 0.000000 
1 1 1 17 56 1  o 74.92504 18.30346 62.40355   27.23064 62.40355   27.23064 ?          ?        74.92504 18.30346 ?        ?        ?         ?        
1 1 1 17 56 2  o 163.5644 8.324134 271.7391   27.23064 271.7391   27.23064 ?          ?        163.5644 8.324134 ?        ?        ?         ?        
1 1 1 17 56 3  o 126.2231 9.887820 162.8165   24.96142 162.8165   24.96142 ?          ?        126.2231 9.887820 ?        ?        ?         ?        
1 1 1 17 56 4  o 89.27702 14.29748 83.96114   25.52872 83.96114   25.52872 ?          ?        89.27702 14.29748 ?        ?        ?         ?        
1 1 1 17 56 5  o 104.2376 11.70121 112.3264   24.39412 112.3264   24.39412 ?          ?        104.2376 11.70121 ?        ?        ?         ?        
1 1 1 17 56 6  o 53.27034 18.77875 28.93255   24.96142 28.93255   24.96142 ?          ?        53.27034 18.77875 ?        ?        ?         ?        
1 1 1 17 56 7  o 45.95139 17.76834 17.58645   23.25950 17.58645   23.25950 ?          ?        45.95139 17.76834 ?        ?        ?         ?        
1 1 1 17 56 8  o 41.43740 17.50684 6.240355   24.96142 6.240355   24.96142 ?          ?        41.43740 17.50684 ?        ?        ?         ?        
1 1 1 17 57 0  o 77.88570 24.18209 78.85539   32.90369 78.85539   32.90369 78.85539   32.90369 77.88570 24.18209 77.88570 24.18209 -0.000000 0.000000 
1 1 1 17 57 1  o 137.9652 9.251870 194.0183   25.52872 194.0183   25.52872 ?          ?        137.9652 9.251870 ?        ?        ?         ?        
1 1 1 17 57 2  o 110.7201 11.52850 126.5090   25.52872 126.5090   25.52872 ?          ?        110.7201 11.52850 ?        ?        ?         ?        
1 1 1 17 57 3  o 90.17302 14.15541 85.66305   25.52872 85.66305   25.52872 ?          ?        90.17302 14.15541 ?        ?        ?         ?        
1 1 1 17 57 4  o 107.0245 11.92658 118.5667   25.52872 118.5667   25.52872 ?          ?        107.0245 11.92658 ?        ?        ?         ?        
1 1 1 17 57 5  o 57.71131 18.83547 36.30752   24.96142 36.30752   24.96142 ?          ?        57.71131 18.83547 ?        ?        ?         ?        
1 1 1 17 57 6  o 105.4098 15.87660 119.7014   33.47099 119.7014   33.47099 ?          ?        105.4098 15.87660 ?        ?        ?         ?        
1 1 1 17 57 7  o 57.53317 18.37468 36.87482   23.82681 36.87482   23.82681 ?          ?        57.53317 18.37468 ?        ?        ?         ?        
1 1 1 17 57 8  f 51.08725 18.70082 26.09603   24.96142 26.09603   24.96142 ?          ?        51.08725 18.70082 ?        ?        ?         ?        
1 1 1 17 58 0  o 28.30656 19.68206 -24.39412  37.44213 -24.39412  37.44213 -24.39412  37.44213 28.30656 19.68206 28.30656 19.68206 -0.000000 0.000000 
1 1 1 17 58 1  o 158.8226 8.929855 257.5565   28.36525 257.5565   28.36525 ?          ?        158.8226 8.929855 ?        ?        ?         ?        
1 1 1 17 58 2  o 136.2334 9.785901 190.0471   26.66333 190.0471   26.66333 ?          ?        136.2334 9.785901 ?        ?        ?         ?        
1 1 1 17 58 3  o 172.8371 8.369892 304.0754   28.93255 304.0754   28.93255 ?          ?        172.8371 8.369892 ?        ?        ?         ?        
1 1 1 17 58 4  o 153.7446 8.486813 241.1046   26.09603 241.1046   26.09603 ?          ?        153.7446 8.486813 ?        ?        ?         ?        
1 1 1 17 58 5  o 47.51162 18.39963 18.72106   24.96142 18.72106   24.96142 ?          ?        47.51162 18.39963 ?        ?        ?         ?        
1 1 1 17 58 6  o 60.78352 21.03670 40.84595   31.20177 40.84595   31.20177 ?          ?        60.78352 21.03670 ?        ?        ?         ?        
1 1 1 17 58 7  o 127.5919 10.44868 169.0569   26.66333 169.0569   26.66333 ?          ?        127.5919 10.44868 ?        ?        ?         ?        
1 1 1 17 59 0  f 17.10428 12.78668 -116.2975  35.17290 -116.2975  35.17290 -116.2975  35.17290 17.10428 12.78668 17.10428 12.78668 -0.000000 0.000000 
1 1 1 17 59 1  o 105.8303 12.06116 116.2975   25.52872 116.2975   25.52872 ?          ?        105.8303 12.06116 ?        ?        ?         ?        
1 1 1 17 59 2  o 174.3419 8.297646 309.7485   28.93255 309.7485   28.93255 ?          ?        174.3419 8.297646 ?        ?        ?         ?        
1 1 1 17 59 3  o 301.2765 8.379371 925.2744   50.49014 925.2744   50.49014 ?          ?        301.2765 8.379371 ?        ?        ?         ?        
1 1 1 17 59 4  o 40.67011 17.56103 1.701915   26.09603 1.701915   26.09603 ?          ?        40.67011 17.56103 ?        ?        ?         ?        
1 1 1 17 59 5  o 49.88405 18.94378 22.69220   26.09603 22.69220   26.09603 ?          ?        49.88405 18.94378 ?        ?        ?         ?        
1 1 1 17 59 6  o 235.2655 7.595717 564.4684   35.74022 564.4684   35.74022 ?          ?        235.2655 7.595717 ?        ?        ?         ?        
1 1 1 17 60 0  o 38.64105 24.39234 13.04801   39.14404 13.04801   39.14404 13.04801   39.14404 38.64105 24.39234 38.64105 24.39234 -0.000000 0.000000 
1 1 1 17 60 1  o 133.5428 11.04509 184.3741   29.49986 184.3741   29.49986 ?          ?        133.5428 11.04509 ?        ?        ?         ?        
1 1 1 17 60 2  o 55.93037 18.18200 34.03830   23.25950 34.03830   23.25950 ?          ?        55.93037 18.18200 ?        ?        ?         ?        
1 1 1 17 60 3  o 221.2660 7.948105 499.2284   35.17290 499.2284   35.17290 ?          ?        221.2660 7.948105 ?        ?        ?         ?        
1 1 1 17 60 4  o 107.9523 12.08684 121.9706   26.09603 121.9706   26.09603 ?          ?        107.9523 12.08684 ?        ?        ?         ?        
1 1 1 17 60 5  o 39.05769 16.92318 1.134610   24.39412 1.134610   24.39412 ?          ?        39.05769 16.92318 ?        ?        ?         ?        
1 1 1 17 60 6  o 174.4263 8.618876 312.0177   30.06716 312.0177   30.06716 ?          ?        174.4263 8.618876 ?        ?        ?         ?        
1 1 1 17 61 0  o 28.53498 19.67094 -17.01915  35.17290 -17.01915  35.17290 -17.01915  35.17290 28.53498 19.67094 28.53498 19.67094 -0.000000 0.000000 
1 1 1 17 61 1  o 118.1872 11.76013 145.7974   27.79794 145.7974   27.79794 ?          ?        118.1872 11.76013 ?        ?        ?         ?        
1 1 1 17 61 2  o 116.0065 10.75863 139.5570   24.96142 139.5570   24.96142 ?          ?        116.0065 10.75863 ?        ?        ?         ?        
1 1 1 17 61 3  f 98.95354 13.75931 103.8168   27.23064 103.8168   27.23064 ?          ?        98.95354 13.75931 ?        ?        ?         ?        
1 1 1 17 61 4  o 44.16510 18.34330 10.21149   26.66333 10.21149   26.66333 ?          ?        44.16510 18.34330 ?        ?        ?         ?        
1 1 1 17 61 5  o 49.00241 18.39211 22.69220   24.39412 22.69220   24.39412 ?          ?        49.00241 18.39211 ?        ?        ?         ?        
1 1 1 17 62 0  o 107.5980 18.30184 129.3455   36.30752 129.3455   36.30752 129.3455   36.30752 107.5980 18.30184 107.5980 18.30184 -0.000000 0.000000 
1 1 1 17 62 1  o 98.36060 13.84225 102.6822   27.23064 102.6822   27.23064 ?          ?        98.36060 13.84225 ?        ?        ?         ?        
1 1 1 17 62 2  o 84.18576 15.39800 78.28809   24.96142 78.28809   24.96142 ?          ?        84.18576 15.39800 ?        ?        ?         ?        
1 1 1 17 62 3  o 175.3544 8.573257 315.4216   30.06716 315.4216   30.06716 ?          ?        175.3544 8.573257 ?        ?        ?         ?        
1 1 1 17 62 4  o 114.1642 11.92609 136.7205   27.23064 136.7205   27.23064 ?          ?        114.1642 11.92609 ?        ?        ?         ?        
1 1 1 17 63 0  o 76.67539 26.36749 82.25922   36.30752 82.25922   36.30752 82.25922   36.30752 76.67539 26.36749 76.67539 26.36749 -0.000000 0.000000 
1 1 1 17 63 1  o 133.4685 10.83872 185.5087   28.93255 185.5087   28.93255 ?          ?        133.4685 10.83872 ?        ?        ?         ?        
1 1 1 17 63 2  o 123.7835 10.77015 159.4127   26.66333 159.4127   26.66333 ?          ?        123.7835 10.77015 ?        ?        ?         ?        
1 1 1 18 0  1  o 147.0663 12.31785 221.2489   35.74022 221.2489   35.74022 221.2489   35.74022 147.0663 12.31785 147.0663 12.31785 -0.000000 0.000000 
1 1 1 18 0  2  o 169.9185 18.58463 300.1043   61.83624 300.1043   61.83624 300.1043   61.83624 169.9185 18.58463 169.9185 18.58463 -0.000000 0.000000 
1 1 1 18 0  4  o 100.7586 14.99980 106.0860   28.93255 106.0860   28.93255 106.0860   28.93255 100.7586 14.99980 100.7586 14.99980 -0.000000 0.000000 
1 1 1 18 0  5  f 474.8169 27.73706 2293.614   261.5276 2293.614   261.5276 2293.614   261.5276 474.8169 27.73706 474.8169 27.73706 -0.000000 0.000000 
1 1 1 18 0  6  o 248.4132 12.62970 622.9009   62.40355 622.9009   62.40355 622.9009   62.40355 248.4132 12.62970 248.4132 12.62970 -0.000000 0.000000 
1 1 1 18 0  7  o 257.5959 18.01654 675.6602   91.90340 675.6602   91.90340 675.6602   91.90340 257.5959 18.01654 257.5959 18.01654 -0.000000 0.000000 
1 1 1 18 0  8  o 214.2607 12.39858 464.6228   52.75936 464.6228   52.75936 464.6228   52.75936 214.2607 12.39858 214.2607 12.39858 -0.000000 0.000000 
1 1 1 18 0  9  o 465.5397 21.29922 2195.470   197.4221 2195.470   197.4221 2195.470   197.4221 465.5397 21.29922 465.5397 21.29922 -0.000000 0.000000 
1 1 1 18 0  10 o 132.7817 12.60046 181.5376   32.90369 181.5376   32.90369 181.5376   32.90369 132.7817 12.60046 132.7817 12.60046 -0.000000 0.000000 
1 1 1 18 0  11 o 28.73955 19.28259 -9.076880  30.06716 -9.076880  30.06716 -9.076880  30.06716 28.73955 19.28259 28.73955 19.28259 -0.000000 0.000000 
1 1 1 18 0  12 o 74.11803 22.41800 68.64390   28.93255 68.64390   28.93255 68.64390   28.93255 74.11803 22.41800 74.11803 22.41800 -0.000000 0.000000 
1 1 1 18 0  13 o 159.5523 10.76647 259.2584   34.03830 259.2584   34.03830 259.2584   34.03830 159.5523 10.76647 159.5523 10.76647 -0.000000 0.000000 
1 1 1 18 0  14 o 59.46725 22.48317 48.78823   24.96142 48.78823   24.96142 48.78823   24.96142 59.46725 22.48317 59.46725 22.48317 -0.000000 0.000000 
1 1 1 18 0  15 o 70.83670 20.34246 62.40355   24.96142 62.40355   24.96142 62.40355   24.96142 70.83670 20.34246 70.83670 20.34246 -0.000000 0.000000 
1 1 1 18 0  16 o 120.3181 12.00497 151.4704   28.36525 151.4704   28.36525 151.4704   28.36525 120.3181 12.00497 120.3181 12.00497 -0.000000 0.000000 
1 1 1 18 0  17 o 291.5065 15.86236 890.1014   91.90340 890.1014   91.90340 890.1014   91.90340 291.5065 15.86236 291.5065 15.86236 -0.000000 0.000000 
1 1 1 18 1  0  o 238.0556 13.43484 573.5453   63.53815 573.5453   63.53815 573.5453   63.53815 238.0556 13.43484 238.0556 13.43484 -0.000000 0.000000 
1 1 1 18 1  1  o 234.2748 11.50230 550.8531   53.89397 550.8531   53.89397 ?          ?        234.2748 11.50230 ?        ?        ?         ?        
1 1 1 18 1  2  o 124.7946 19.54741 157.1435   48.78823 157.1435   48.78823 ?          ?        124.7946 19.54741 ?        ?        ?         ?        
1 1 1 18 1  4  o 517.7680 17.31165 2694.699   179.2684 2694.699   179.2684 ?          ?        517.7680 17.31165 ?        ?        ?         ?        
1 1 1 18 1  5  f 237.8374 10.01811 566.7377   47.65361 566.7377   47.65361 ?          ?        237.8374 10.01811 ?        ?        ?         ?        
1 1 1 18 1  6  o 196.7504 6.631758 387.4693   26.09603 387.4693   26.09603 ?          ?        196.7504 6.631758 ?        ?        ?         ?        
1 1 1 18 1  7  o 55.06058 21.03543 20.99029   32.33638 20.99029   32.33638 ?          ?        55.06058 21.03543 ?        ?        ?         ?        
1 1 1 18 1  8  o 156.7560 8.504723 246.2104   26.66333 246.2104   26.66333 ?          ?        156.7560 8.504723 ?        ?        ?         ?        
1 1 1 18 1  9  o 362.5453 12.04883 1320.119   87.36497 1320.119   87.36497 ?          ?        362.5453 12.04883 ?        ?        ?         ?        
1 1 1 18 1  10 o 201.8183 8.714005 408.4596   35.17290 408.4596   35.17290 ?          ?        201.8183 8.714005 ?        ?        ?         ?        
1 1 1 18 1  11 o 64.86052 16.20955 44.24979   20.99029 44.24979   20.99029 ?          ?        64.86052 16.20955 ?        ?        ?         ?        
1 1 1 18 1  12 o 125.2797 9.283031 157.7108   23.25950 157.7108   23.25950 ?          ?        125.2797 9.283031 ?        ?        ?         ?        
1 1 1 18 1  13 f 241.4825 7.635091 586.0261   36.87482 586.0261   36.87482 ?          ?        241.4825 7.635091 ?        ?        ?         ?        
1 1 1 18 1  14 o 99.88927 9.938843 100.9803   19.85567 100.9803   19.85567 ?          ?        99.88927 9.938843 ?        ?        ?         ?        
1 1 1 18 1  15 o 18.02038 9.155354 -61.83624  17.01915 -61.83624  17.01915 ?          ?        18.02038 9.155354 ?        ?        ?         ?        
1 1 1 18 1  16 o 114.9806 8.387665 134.4513   19.28837 134.4513   19.28837 ?          ?        114.9806 8.387665 ?        ?        ?         ?        
1 1 1 18 1  17 o 121.5882 8.165132 150.9031   19.85567 150.9031   19.85567 ?          ?        121.5882 8.165132 ?        ?        ?         ?        
1 1 1 18 2  0  o 140.4008 13.56727 203.0952   37.44213 203.0952   37.44213 203.0952   37.44213 140.4008 13.56727 140.4008 13.56727 -0.000000 0.000000 
1 1 1 18 2  1  o 283.4739 10.80680 806.1404   61.26894 806.1404   61.26894 ?          ?        283.4739 10.80680 ?        ?        ?         ?        
1 1 1 18 2  2  o 375.4123 16.47155 1418.262   123.6725 1418.262   123.6725 ?          ?        375.4123 16.47155 ?        ?        ?         ?        
1 1 1 18 2  3  o 569.6770 23.25278 3279.023   264.9314 3279.023   264.9314 ?          ?        569.6770 23.25278 ?        ?        ?         ?        
1 1 1 18 2  4  o 103.3523 14.82041 107.2206   30.63447 107.2206   30.63447 ?          ?        103.3523 14.82041 ?        ?        ?         ?        
1 1 1 18 2  5  o 621.6824 25.04900 3911.000   311.4504 3911.000   311.4504 ?          ?        621.6824 25.04900 ?        ?        ?         ?        
1 1 1 18 2  6  o 284.7806 10.65761 812.9480   60.70163 812.9480   60.70163 ?          ?        284.7806 10.65761 ?        ?        ?         ?        
1 1 1 18 2  7  o 190.9224 9.954157 365.3444   38.00943 365.3444   38.00943 ?          ?        190.9224 9.954157 ?        ?        ?         ?        
1 1 1 18 2  8  o 316.5646 10.66280 1005.264   67.50929 1005.264   67.50929 ?          ?        316.5646 10.66280 ?        ?        ?         ?        
1 1 1 18 2  9  o 299.9000 8.701577 901.4476   52.19205 901.4476   52.19205 ?          ?        299.9000 8.701577 ?        ?        ?         ?        
1 1 1 18 2  10 o 133.2872 8.512522 178.1338   22.69220 178.1338   22.69220 ?          ?        133.2872 8.512522 ?        ?        ?         ?        
1 1 1 18 2  11 o 156.2862 8.530292 245.0758   26.66333 245.0758   26.66333 ?          ?        156.2862 8.530292 ?        ?        ?         ?        
1 1 1 18 2  12 o 199.3714 7.682765 398.8154   30.63447 398.8154   30.63447 ?          ?        199.3714 7.682765 ?        ?        ?         ?        
1 1 1 18 2  13 o 114.5814 8.911998 132.1821   20.42298 132.1821   20.42298 ?          ?        114.5814 8.911998 ?        ?        ?         ?        
1 1 1 18 2  14 o 73.37511 13.65348 56.73050   19.28837 56.73050   19.28837 ?          ?        73.37511 13.65348 ?        ?        ?         ?        
1 1 1 18 2  15 o 93.95245 9.661142 89.63419   18.15376 89.63419   18.15376 ?          ?        93.95245 9.661142 ?        ?        ?         ?        
1 1 1 18 2  16 o 67.14024 12.71383 48.22092   16.45185 48.22092   16.45185 ?          ?        67.14024 12.71383 ?        ?        ?         ?        
1 1 1 18 2  17 o 175.3218 6.956954 312.0177   24.39412 312.0177   24.39412 ?          ?        175.3218 6.956954 ?        ?        ?         ?        
1 1 1 18 3  0  o 188.0060 17.63952 364.2098   65.24007 364.2098   65.24007 364.2098   65.24007 188.0060 17.63952 188.0060 17.63952 -0.000000 0.000000 
1 1 1 18 3  1  o 225.3124 17.24734 511.7091   77.72078 511.7091   77.72078 ?          ?        225.3124 17.24734 ?        ?        ?         ?        
1 1 1 18 3  2  o 263.7456 8.066082 696.6505   42.54787 696.6505   42.54787 ?          ?        263.7456 8.066082 ?        ?        ?         ?        
1 1 1 18 3  3  o 118.9547 10.96890 141.8262   26.09603 141.8262   26.09603 ?          ?        118.9547 10.96890 ?        ?        ?         ?        
1 1 1 18 3  4  o 239.3893 12.79693 574.6800   61.26894 574.6800   61.26894 ?          ?        239.3893 12.79693 ?        ?        ?         ?        
1 1 1 18 3  5  o 204.8449 9.693030 420.3730   39.71135 420.3730   39.71135 ?          ?        204.8449 9.693030 ?        ?        ?         ?        
1 1 1 18 3  6  o 283.3919 10.60975 805.0057   60.13433 805.0057   60.13433 ?          ?        283.3919 10.60975 ?        ?        ?         ?        
1 1 1 18 3  7  o 395.2366 14.49709 1569.733   114.5956 1569.733   114.5956 ?          ?        395.2366 14.49709 ?        ?        ?         ?        
1 1 1 18 3  8  o 202.0452 8.423434 409.0269   34.03830 409.0269   34.03830 ?          ?        202.0452 8.423434 ?        ?        ?         ?        
1 1 1 18 3  9  o 235.8436 9.260901 557.6608   43.68248 557.6608   43.68248 ?          ?        235.8436 9.260901 ?        ?        ?         ?        
1 1 1 18 3  10 o 337.7038 11.42325 1145.956   77.15348 1145.956   77.15348 ?          ?        337.7038 11.42325 ?        ?        ?         ?        
1 1 1 18 3  11 o 279.2331 9.345607 782.8809   52.19205 782.8809   52.19205 ?          ?        279.2331 9.345607 ?        ?        ?         ?        
1 1 1 18 3  12 o 118.5116 10.05253 141.2589   23.82681 141.2589   23.82681 ?          ?        118.5116 10.05253 ?        ?        ?         ?        
1 1 1 18 3  13 o 255.8996 7.537476 658.0737   38.57674 658.0737   38.57674 ?          ?        255.8996 7.537476 ?        ?        ?         ?        
1 1 1 18 3  14 o 66.18040 14.13050 46.51900   18.15376 46.51900   18.15376 ?          ?        66.18040 14.13050 ?        ?        ?         ?        
1 1 1 18 3  15 o 157.3821 6.848807 249.6142   21.55759 249.6142   21.55759 ?          ?        157.3821 6.848807 ?        ?        ?         ?        
1 1 1 18 3  16 o 119.4293 7.600212 144.6628   18.15376 144.6628   18.15376 ?          ?        119.4293 7.600212 ?        ?        ?         ?        
1 1 1 18 3  17 o 222.6122 7.517780 504.3341   33.47099 504.3341   33.47099 ?          ?        222.6122 7.517780 ?        ?        ?         ?        
1 1 1 18 4  0  o 148.0208 13.03124 224.6528   38.00943 224.6528   38.00943 224.6528   38.00943 148.0208 13.03124 148.0208 13.03124 -0.000000 0.000000 
1 1 1 18 4  1  o 221.8442 12.40253 494.1226   55.02858 494.1226   55.02858 ?          ?        221.8442 12.40253 ?        ?        ?         ?        
1 1 1 18 4  2  o 268.3028 10.46638 721.6119   56.16319 721.6119   56.16319 ?          ?        268.3028 10.46638 ?        ?        ?         ?        
1 1 1 18 4  3  o 253.0656 9.975701 641.6219   50.49014 641.6219   50.49014 ?          ?        253.0656 9.975701 ?        ?        ?         ?        
1 1 1 18 4  4  o 243.3553 7.809452 592.8337   38.00943 592.8337   38.00943 ?          ?        243.3553 7.809452 ?        ?        ?         ?        
1 1 1 18 4  5  o 685.6613 27.96557 4773.304   383.4982 4773.304   383.4982 ?          ?        685.6613 27.96557 ?        ?        ?         ?        
1 1 1 18 4  6  o 130.3101 10.44840 170.1915   27.23064 170.1915   27.23064 ?          ?        130.3101 10.44840 ?        ?        ?         ?        
1 1 1 18 4  7  o 591.7772 21.18608 3538.848   250.7488 3538.848   250.7488 ?          ?        591.7772 21.18608 ?        ?        ?         ?        
1 1 1 18 4  8  o 171.7421 8.588416 295.5659   29.49986 295.5659   29.49986 ?          ?        171.7421 8.588416 ?        ?        ?         ?        
1 1 1 18 4  9  o 691.2878 21.70618 4847.054   300.1043 4847.054   300.1043 ?          ?        691.2878 21.70618 ?        ?        ?         ?        
1 1 1 18 4  10 o 394.6511 12.79362 1566.896   100.9803 1566.896   100.9803 ?          ?        394.6511 12.79362 ?        ?        ?         ?        
1 1 1 18 4  11 o 148.8577 8.765429 222.3835   26.09603 222.3835   26.09603 ?          ?        148.8577 8.765429 ?        ?        ?         ?        
1 1 1 18 4  12 o 113.8682 10.46245 130.4801   23.82681 130.4801   23.82681 ?          ?        113.8682 10.46245 ?        ?        ?         ?        
1 1 1 18 4  13 o 55.57880 15.98397 32.33638   18.72106 32.33638   18.72106 ?          ?        55.57880 15.98397 ?        ?        ?         ?        
1 1 1 18 4  14 o 190.9662 7.278236 367.0463   27.79794 367.0463   27.79794 ?          ?        190.9662 7.278236 ?        ?        ?         ?        
1 1 1 18 4  15 o 124.6664 8.191050 157.1435   20.42298 157.1435   20.42298 ?          ?        124.6664 8.191050 ?        ?        ?         ?        
1 1 1 18 4  16 o 57.62459 14.71396 36.30752   17.01915 36.30752   17.01915 ?          ?        57.62459 14.71396 ?        ?        ?         ?        
1 1 1 18 4  17 o 149.3560 6.837013 226.3547   20.42298 226.3547   20.42298 ?          ?        149.3560 6.837013 ?        ?        ?         ?        
1 1 1 18 5  0  o 151.2020 11.77158 233.1623   35.17290 233.1623   35.17290 233.1623   35.17290 151.2020 11.77158 151.2020 11.77158 -0.000000 0.000000 
1 1 1 18 5  1  f 75.55872 12.01301 57.29780   18.15376 57.29780   18.15376 ?          ?        75.55872 12.01301 ?        ?        ?         ?        
1 1 1 18 5  2  o 341.6473 15.44264 1173.187   105.5187 1173.187   105.5187 ?          ?        341.6473 15.44264 ?        ?        ?         ?        
1 1 1 18 5  3  o 349.8651 12.56660 1227.648   87.93227 1227.648   87.93227 ?          ?        349.8651 12.56660 ?        ?        ?         ?        
1 1 1 18 5  4  o 269.5686 7.050048 727.2849   38.00943 727.2849   38.00943 ?          ?        269.5686 7.050048 ?        ?        ?         ?        
1 1 1 18 5  5  o 1063.760 44.07737 11755.69   937.7551 11755.69   937.7551 ?          ?        1063.760 44.07737 ?        ?        ?         ?        
1 1 1 18 5  6  o 553.2590 23.01995 3094.081   254.7199 3094.081   254.7199 ?          ?        553.2590 23.01995 ?        ?        ?         ?        
1 1 1 18 5  7  o 444.0314 16.16194 1983.865   143.5282 1983.865   143.5282 ?          ?        444.0314 16.16194 ?        ?        ?         ?        
1 1 1 18 5  8  o 212.8318 10.52876 454.4113   44.81709 454.4113   44.81709 ?          ?        212.8318 10.52876 ?        ?        ?         ?        
1 1 1 18 5  9  o 193.5326 9.380206 375.5559   36.30752 375.5559   36.30752 ?          ?        193.5326 9.380206 ?        ?        ?         ?        
1 1 1 18 5  10 o 120.3057 9.666834 145.2301   23.25950 145.2301   23.25950 ?          ?        120.3057 9.666834 ?        ?        ?         ?        
1 1 1 18 5  11 o 394.0237 14.82967 1568.598   116.8648 1568.598   116.8648 ?          ?        394.0237 14.82967 ?        ?        ?         ?        
1 1 1 18 5  12 o 288.2486 10.43098 836.2075   60.13433 836.2075   60.13433 ?          ?        288.2486 10.43098 ?        ?        ?         ?        
1 1 1 18 5  13 o 143.6107 8.690656 207.6336   24.96142 207.6336   24.96142 ?          ?        143.6107 8.690656 ?        ?        ?         ?        
1 1 1 18 5  14 f 214.6174 7.797827 464.0555   33.47099 464.0555   33.47099 ?          ?        214.6174 7.797827 ?        ?        ?         ?        
1 1 1 18 5  15 o 358.4537 10.20806 1307.071   73.18234 1307.071   73.18234 ?          ?        358.4537 10.20806 ?        ?        ?         ?        
1 1 1 18 5  16 o 128.4323 8.392587 167.9223   21.55759 167.9223   21.55759 ?          ?        128.4323 8.392587 ?        ?        ?         ?        
1 1 1 18 5  17 o 152.4548 8.000441 237.1335   24.39412 237.1335   24.39412 ?          ?        152.4548 8.000441 ?        ?        ?         ?        
1 1 1 18 6  0  o 327.5925 15.04764 1082.985   98.14376 1082.985   98.14376 1082.985   98.14376 327.5925 15.04764 327.5925 15.04764 -0.000000 0.000000 
1 1 1 18 6  1  o 270.6249 11.42471 734.6599   61.83624 734.6599   61.83624 ?          ?        270.6249 11.42471 ?        ?        ?         ?        
1 1 1 18 6  2  o 450.1037 15.56578 2036.057   140.1243 2036.057   140.1243 ?          ?        450.1037 15.56578 ?        ?        ?         ?        
1 1 1 18 6  3  o 97.80101 11.31118 95.87454   22.12490 95.87454   22.12490 ?          ?        97.80101 11.31118 ?        ?        ?         ?        
1 1 1 18 6  4  o 218.4726 6.751387 477.6707   29.49986 477.6707   29.49986 ?          ?        218.4726 6.751387 ?        ?        ?         ?        
1 1 1 18 6  5  o 410.9593 14.01148 1695.674   115.1629 1695.674   115.1629 ?          ?        410.9593 14.01148 ?        ?        ?         ?        
1 1 1 18 6  6  o 649.6144 26.41717 4279.181   343.2195 4279.181   343.2195 ?          ?        649.6144 26.41717 ?        ?        ?         ?        
1 1 1 18 6  8  o 262.8831 15.75349 696.0832   82.82652 696.0832   82.82652 ?          ?        262.8831 15.75349 ?        ?        ?         ?        
1 1 1 18 6  9  o 381.6104 14.64309 1465.916   111.7591 1465.916   111.7591 ?          ?        381.6104 14.64309 ?        ?        ?         ?        
1 1 1 18 6  10 o 200.3252 7.929377 402.2192   31.76908 402.2192   31.76908 ?          ?        200.3252 7.929377 ?        ?        ?         ?        
1 1 1 18 6  11 o 200.3569 8.494414 402.7865   34.03830 402.7865   34.03830 ?          ?        200.3569 8.494414 ?        ?        ?         ?        
1 1 1 18 6  12 o 330.3115 11.24952 1099.437   74.31695 1099.437   74.31695 ?          ?        330.3115 11.24952 ?        ?        ?         ?        
1 1 1 18 6  13 o 279.2096 8.432074 784.5828   47.08631 784.5828   47.08631 ?          ?        279.2096 8.432074 ?        ?        ?         ?        
1 1 1 18 6  14 o 282.5484 8.533216 805.5731   48.22092 805.5731   48.22092 ?          ?        282.5484 8.533216 ?        ?        ?         ?        
1 1 1 18 6  15 o 79.75282 12.44826 65.24007   19.85567 65.24007   19.85567 ?          ?        79.75282 12.44826 ?        ?        ?         ?        
1 1 1 18 6  16 o 114.0922 8.701591 132.7494   19.85567 132.7494   19.85567 ?          ?        114.0922 8.701591 ?        ?        ?         ?        
1 1 1 18 6  17 o 128.5775 9.044934 169.6242   23.25950 169.6242   23.25950 ?          ?        128.5775 9.044934 ?        ?        ?         ?        
1 1 1 18 7  0  o 158.1836 10.12704 253.5853   31.76908 253.5853   31.76908 253.5853   31.76908 158.1836 10.12704 158.1836 10.12704 -0.000000 0.000000 
1 1 1 18 7  1  o 265.9704 8.531851 708.5638   45.38440 708.5638   45.38440 ?          ?        265.9704 8.531851 ?        ?        ?         ?        
1 1 1 18 7  2  o 214.3769 10.84982 460.6516   46.51900 460.6516   46.51900 ?          ?        214.3769 10.84982 ?        ?        ?         ?        
1 1 1 18 7  3  o 463.1218 11.02463 2149.519   102.1149 2149.519   102.1149 ?          ?        463.1218 11.02463 ?        ?        ?         ?        
1 1 1 18 7  4  o 94.87061 11.36158 90.20149   21.55759 90.20149   21.55759 ?          ?        94.87061 11.36158 ?        ?        ?         ?        
1 1 1 18 7  5  o 359.3919 13.10166 1296.292   94.17262 1296.292   94.17262 ?          ?        359.3919 13.10166 ?        ?        ?         ?        
1 1 1 18 7  6  o 628.8723 20.97380 3989.289   263.7968 3989.289   263.7968 ?          ?        628.8723 20.97380 ?        ?        ?         ?        
1 1 1 18 7  7  o 307.6281 11.98682 949.6685   73.74965 949.6685   73.74965 ?          ?        307.6281 11.98682 ?        ?        ?         ?        
1 1 1 18 7  8  o 209.8601 8.515248 441.3633   35.74022 441.3633   35.74022 ?          ?        209.8601 8.515248 ?        ?        ?         ?        
1 1 1 18 7  9  o 292.7526 9.495370 859.4670   55.59589 859.4670   55.59589 ?          ?        292.7526 9.495370 ?        ?        ?         ?        
1 1 1 18 7  10 o 348.8104 14.06835 1225.379   98.14376 1225.379   98.14376 ?          ?        348.8104 14.06835 ?        ?        ?         ?        
1 1 1 18 7  11 o 243.8076 10.35451 597.3721   50.49014 597.3721   50.49014 ?          ?        243.8076 10.35451 ?        ?        ?         ?        
1 1 1 18 7  12 o 437.5894 17.04808 1949.827   149.2012 1949.827   149.2012 ?          ?        437.5894 17.04808 ?        ?        ?         ?        
1 1 1 18 7  13 o 73.54710 18.20170 57.86510   26.66333 57.86510   26.66333 ?          ?        73.54710 18.20170 ?        ?        ?         ?        
1 1 1 18 7  14 o 135.2739 11.53282 186.0760   31.20177 186.0760   31.20177 ?          ?        135.2739 11.53282 ?        ?        ?         ?        
1 1 1 18 7  15 o 124.7276 9.096704 157.7108   22.69220 157.7108   22.69220 ?          ?        124.7276 9.096704 ?        ?        ?         ?        
1 1 1 18 7  16 o 141.7455 11.20638 207.6336   31.76908 207.6336   31.76908 ?          ?        141.7455 11.20638 ?        ?        ?         ?        
1 1 1 18 7  17 o 132.1053 9.232830 179.2684   24.39412 179.2684   24.39412 ?          ?        132.1053 9.232830 ?        ?        ?         ?        
1 1 1 18 8  0  o 31.25350 20.93474 -10.21149  35.17290 -10.21149  35.17290 -10.21149  35.17290 31.25350 20.93474 31.25350 20.93474 -0.000000 0.000000 
1 1 1 18 8  1  o 411.2108 10.00208 1694.540   82.25922 1694.540   82.25922 ?          ?        411.2108 10.00208 ?        ?        ?         ?        
1 1 1 18 8  2  o 450.4465 13.41291 2036.057   120.8360 2036.057   120.8360 ?          ?        450.4465 13.41291 ?        ?        ?         ?        
1 1 1 18 8  3  o 301.4883 7.903064 909.9572   47.65361 909.9572   47.65361 ?          ?        301.4883 7.903064 ?        ?        ?         ?        
1 1 1 18 8  4  o 304.3932 11.55509 928.6782   70.34581 928.6782   70.34581 ?          ?        304.3932 11.55509 ?        ?        ?         ?        
1 1 1 18 8  5  o 777.6915 25.71393 6134.269   399.9500 6134.269   399.9500 ?          ?        777.6915 25.71393 ?        ?        ?         ?        
1 1 1 18 8  6  o 247.0480 10.10387 611.5547   49.92284 611.5547   49.92284 ?          ?        247.0480 10.10387 ?        ?        ?         ?        
1 1 1 18 8  7  o 144.7221 9.407905 209.9028   27.23064 209.9028   27.23064 ?          ?        144.7221 9.407905 ?        ?        ?         ?        
1 1 1 18 8  8  o 139.3327 8.753907 194.5856   24.39412 194.5856   24.39412 ?          ?        139.3327 8.753907 ?        ?        ?         ?        
1 1 1 18 8  9  o 612.6182 22.41001 3813.424   274.5756 3813.424   274.5756 ?          ?        612.6182 22.41001 ?        ?        ?         ?        
1 1 1 18 8  10 o 195.0271 7.999342 381.2289   31.20177 381.2289   31.20177 ?          ?        195.0271 7.999342 ?        ?        ?         ?        
1 1 1 18 8  11 o 120.9366 10.08549 146.9320   24.39412 146.9320   24.39412 ?          ?        120.9366 10.08549 ?        ?        ?         ?        
1 1 1 18 8  12 o 338.8504 9.542966 1155.033   64.67276 1155.033   64.67276 ?          ?        338.8504 9.542966 ?        ?        ?         ?        
1 1 1 18 8  13 o 106.6369 9.309942 114.5956   19.85567 114.5956   19.85567 ?          ?        106.6369 9.309942 ?        ?        ?         ?        
1 1 1 18 8  14 f 145.8649 7.778496 214.4413   22.69220 214.4413   22.69220 ?          ?        145.8649 7.778496 ?        ?        ?         ?        
1 1 1 18 8  15 o 107.2951 9.517202 116.8648   20.42298 116.8648   20.42298 ?          ?        107.2951 9.517202 ?        ?        ?         ?        
1 1 1 18 8  16 o 151.6385 7.856450 233.7296   23.82681 233.7296   23.82681 ?          ?        151.6385 7.856450 ?        ?        ?         ?        
1 1 1 18 8  17 o 58.49340 14.96987 38.00943   17.58645 38.00943   17.58645 ?          ?        58.49340 14.96987 ?        ?        ?         ?        
1 1 1 18 9  0  o 58.23656 23.83273 47.65361   27.23064 47.65361   27.23064 47.65361   27.23064 58.23656 23.83273 58.23656 23.83273 -0.000000 0.000000 
1 1 1 18 9  1  o 392.8704 9.819202 1546.474   77.15348 1546.474   77.15348 ?          ?        392.8704 9.819202 ?        ?        ?         ?        
1 1 1 18 9  2  o 635.9927 18.15218 4069.846   230.8931 4069.846   230.8931 ?          ?        635.9927 18.15218 ?        ?        ?         ?        
1 1 1 18 9  3  o 429.0497 11.23901 1844.876   96.44185 1844.876   96.44185 ?          ?        429.0497 11.23901 ?        ?        ?         ?        
1 1 1 18 9  4  o 543.9149 15.85365 2971.543   172.4607 2971.543   172.4607 ?          ?        543.9149 15.85365 ?        ?        ?         ?        
1 1 1 18 9  5  o 117.5076 10.62119 138.4224   24.96142 138.4224   24.96142 ?          ?        117.5076 10.62119 ?        ?        ?         ?        
1 1 1 18 9  6  o 927.0699 37.63390 8836.342   697.7851 8836.342   697.7851 ?          ?        927.0699 37.63390 ?        ?        ?         ?        
1 1 1 18 9  7  o 677.5688 24.32256 4658.708   329.6042 4658.708   329.6042 ?          ?        677.5688 24.32256 ?        ?        ?         ?        
1 1 1 18 9  8  o 212.2814 8.284501 451.5747   35.17290 451.5747   35.17290 ?          ?        212.2814 8.284501 ?        ?        ?         ?        
1 1 1 18 9  9  o 120.1331 8.500144 144.6628   20.42298 144.6628   20.42298 ?          ?        120.1331 8.500144 ?        ?        ?         ?        
1 1 1 18 9  10 o 149.2834 9.120454 223.5181   27.23064 223.5181   27.23064 ?          ?        149.2834 9.120454 ?        ?        ?         ?        
1 1 1 18 9  11 o 44.53787 17.48227 11.91340   22.69220 11.91340   22.69220 ?          ?        44.53787 17.48227 ?        ?        ?         ?        
1 1 1 18 9  12 o 280.8504 8.988797 793.0923   50.49014 793.0923   50.49014 ?          ?        280.8504 8.988797 ?        ?        ?         ?        
1 1 1 18 9  13 o 130.0638 8.287315 170.1915   21.55759 170.1915   21.55759 ?          ?        130.0638 8.287315 ?        ?        ?         ?        
1 1 1 18 9  14 o 40.92156 15.91658 11.34610   18.72106 11.34610   18.72106 ?          ?        40.92156 15.91658 ?        ?        ?         ?        
1 1 1 18 9  15 o 66.86298 13.62358 47.65361   17.58645 47.65361   17.58645 ?          ?        66.86298 13.62358 ?        ?        ?         ?        
1 1 1 18 9  16 o 78.42576 11.21217 63.53815   17.58645 63.53815   17.58645 ?          ?        78.42576 11.21217 ?        ?        ?         ?        
1 1 1 18 9  17 o 126.4373 8.300666 163.3838   20.99029 163.3838   20.99029 ?          ?        126.4373 8.300666 ?        ?        ?         ?        
1 1 1 18 10 0  o 237.9400 9.811471 569.5742   46.51900 569.5742   46.51900 569.5742   46.51900 237.9400 9.811471 237.9400 9.811471 -0.000000 0.000000 
1 1 1 18 10 1  f 340.7870 8.489923 1162.975   57.86510 1162.975   57.86510 ?          ?        340.7870 8.489923 ?        ?        ?         ?        
1 1 1 18 10 2  o 380.0466 10.37444 1447.195   78.85539 1447.195   78.85539 ?          ?        380.0466 10.37444 ?        ?        ?         ?        
1 1 1 18 10 3  o 253.9450 8.042283 645.5931   40.84595 645.5931   40.84595 ?          ?        253.9450 8.042283 ?        ?        ?         ?        
1 1 1 18 10 4  o 229.1225 9.780159 525.8917   44.81709 525.8917   44.81709 ?          ?        229.1225 9.780159 ?        ?        ?         ?        
1 1 1 18 10 5  o 281.2872 13.10931 794.2269   73.74965 794.2269   73.74965 ?          ?        281.2872 13.10931 ?        ?        ?         ?        
1 1 1 18 10 6  o 673.0266 22.12655 4574.748   297.8351 4574.748   297.8351 ?          ?        673.0266 22.12655 ?        ?        ?         ?        
1 1 1 18 10 7  o 254.9064 9.569835 651.2661   48.78823 651.2661   48.78823 ?          ?        254.9064 9.569835 ?        ?        ?         ?        
1 1 1 18 10 8  o 293.3134 9.864039 862.8708   57.86510 862.8708   57.86510 ?          ?        293.3134 9.864039 ?        ?        ?         ?        
1 1 1 18 10 9  o 85.29085 13.30283 73.18234   22.69220 73.18234   22.69220 ?          ?        85.29085 13.30283 ?        ?        ?         ?        
1 1 1 18 10 10 o 393.2322 10.74790 1552.714   84.52843 1552.714   84.52843 ?          ?        393.2322 10.74790 ?        ?        ?         ?        
1 1 1 18 10 11 o 60.45484 17.07762 38.00943   21.55759 38.00943   21.55759 ?          ?        60.45484 17.07762 ?        ?        ?         ?        
1 1 1 18 10 12 o 168.0372 8.102562 283.6525   27.23064 283.6525   27.23064 ?          ?        168.0372 8.102562 ?        ?        ?         ?        
1 1 1 18 10 13 o 162.7471 8.714520 266.6333   28.36525 266.6333   28.36525 ?          ?        162.7471 8.714520 ?        ?        ?         ?        
1 1 1 18 10 14 o 92.11736 10.77738 86.23035   19.85567 86.23035   19.85567 ?          ?        92.11736 10.77738 ?        ?        ?         ?        
1 1 1 18 10 15 o 90.54707 10.02449 83.39383   18.15376 83.39383   18.15376 ?          ?        90.54707 10.02449 ?        ?        ?         ?        
1 1 1 18 10 16 o 75.59658 11.25656 58.99971   17.01915 58.99971   17.01915 ?          ?        75.59658 11.25656 ?        ?        ?         ?        
1 1 1 18 10 17 o 90.58934 9.706691 84.52843   17.58645 84.52843   17.58645 ?          ?        90.58934 9.706691 ?        ?        ?         ?        
1 1 1 18 11 0  o 523.0895 17.39463 2753.131   181.5376 2753.131   181.5376 2753.131   181.5376 523.0895 17.39463 523.0895 17.39463 -0.000000 0.000000 
1 1 1 18 11 1  o 257.5059 7.270151 663.7468   37.44213 663.7468   37.44213 ?          ?        257.5059 7.270151 ?        ?        ?         ?        
1 1 1 18 11 2  o 382.5161 10.23331 1465.916   78.28809 1465.916   78.28809 ?          ?        382.5161 10.23331 ?        ?        ?         ?        
1 1 1 18 11 3  o 473.6472 11.25873 2248.229   106.6533 2248.229   106.6533 ?          ?        473.6472 11.25873 ?        ?        ?         ?        
1 1 1 18 11 4  o 404.3260 10.66347 1638.377   86.23035 1638.377   86.23035 ?          ?        404.3260 10.66347 ?        ?        ?         ?        
1 1 1 18 11 5  o 472.4059 13.75013 2240.854   129.9128 2240.854   129.9128 ?          ?        472.4059 13.75013 ?        ?        ?         ?        
1 1 1 18 11 6  o 502.0236 21.01868 2543.795   211.0374 2543.795   211.0374 ?          ?        502.0236 21.01868 ?        ?        ?         ?        
1 1 1 18 11 7  o 207.1737 8.625663 430.0172   35.74022 430.0172   35.74022 ?          ?        207.1737 8.625663 ?        ?        ?         ?        
1 1 1 18 11 8  o 164.6383 9.131278 271.7391   30.06716 271.7391   30.06716 ?          ?        164.6383 9.131278 ?        ?        ?         ?        
1 1 1 18 11 9  o 256.2190 8.303029 658.0737   42.54787 658.0737   42.54787 ?          ?        256.2190 8.303029 ?        ?        ?         ?        
1 1 1 18 11 10 o 408.7249 15.40666 1684.896   125.9417 1684.896   125.9417 ?          ?        408.7249 15.40666 ?        ?        ?         ?        
1 1 1 18 11 11 o 156.3189 8.165593 245.0758   25.52872 245.0758   25.52872 ?          ?        156.3189 8.165593 ?        ?        ?         ?        
1 1 1 18 11 12 o 154.1738 8.279202 238.8354   25.52872 238.8354   25.52872 ?          ?        154.1738 8.279202 ?        ?        ?         ?        
1 1 1 18 11 13 o 260.0252 8.181490 680.1987   42.54787 680.1987   42.54787 ?          ?        260.0252 8.181490 ?        ?        ?         ?        
1 1 1 18 11 14 o 350.0337 11.10190 1246.936   77.72078 1246.936   77.72078 ?          ?        350.0337 11.10190 ?        ?        ?         ?        
1 1 1 18 11 15 o 113.6800 8.982659 131.0475   20.42298 131.0475   20.42298 ?          ?        113.6800 8.982659 ?        ?        ?         ?        
1 1 1 18 11 16 o 105.8986 9.374849 114.5956   19.85567 114.5956   19.85567 ?          ?        105.8986 9.374849 ?        ?        ?         ?        
1 1 1 18 11 17 o 61.18218 14.56245 41.41326   17.58645 41.41326   17.58645 ?          ?        61.18218 14.56245 ?        ?        ?         ?        
1 1 1 18 12 0  o 351.5043 11.16089 1240.696   78.28809 1240.696   78.28809 1240.696   78.28809 351.5043 11.16089 351.5043 11.16089 -0.000000 0.000000 
1 1 1 18 12 1  o 375.1729 8.014215 1409.186   60.13433 1409.186   60.13433 ?          ?        375.1729 8.014215 ?        ?        ?         ?        
1 1 1 18 12 2  o 440.0434 10.63592 1940.183   93.60532 1940.183   93.60532 ?          ?        440.0434 10.63592 ?        ?        ?         ?        
1 1 1 18 12 3  o 319.0922 10.22276 1020.014   65.24007 1020.014   65.24007 ?          ?        319.0922 10.22276 ?        ?        ?         ?        
1 1 1 18 12 4  o 315.7737 8.084499 998.4568   51.05745 998.4568   51.05745 ?          ?        315.7737 8.084499 ?        ?        ?         ?        
1 1 1 18 12 5  o 508.7267 13.32601 2597.689   135.5859 2597.689   135.5859 ?          ?        508.7267 13.32601 ?        ?        ?         ?        
1 1 1 18 12 6  o 798.5666 28.98449 6495.642   462.9208 6495.642   462.9208 ?          ?        798.5666 28.98449 ?        ?        ?         ?        
1 1 1 18 12 7  o 208.0376 7.499071 433.4210   31.20177 433.4210   31.20177 ?          ?        208.0376 7.499071 ?        ?        ?         ?        
1 1 1 18 12 8  o 333.2654 9.447554 1113.620   62.97085 1113.620   62.97085 ?          ?        333.2654 9.447554 ?        ?        ?         ?        
1 1 1 18 12 9  o 78.87521 14.57331 64.67276   22.12490 64.67276   22.12490 ?          ?        78.87521 14.57331 ?        ?        ?         ?        
1 1 1 18 12 10 o 515.0921 13.43666 2670.872   138.4224 2670.872   138.4224 ?          ?        515.0921 13.43666 ?        ?        ?         ?        
1 1 1 18 12 11 o 381.1636 10.49287 1460.243   79.99000 1460.243   79.99000 ?          ?        381.1636 10.49287 ?        ?        ?         ?        
1 1 1 18 12 12 o 401.5079 15.96618 1640.646   128.2109 1640.646   128.2109 ?          ?        401.5079 15.96618 ?        ?        ?         ?        
1 1 1 18 12 13 o 325.1100 10.55703 1068.235   68.64390 1068.235   68.64390 ?          ?        325.1100 10.55703 ?        ?        ?         ?        
1 1 1 18 12 14 o 201.0815 7.758488 407.8922   31.20177 407.8922   31.20177 ?          ?        201.0815 7.758488 ?        ?        ?         ?        
1 1 1 18 12 15 o 135.5132 7.535423 185.5087   20.42298 185.5087   20.42298 ?          ?        135.5132 7.535423 ?        ?        ?         ?        
1 1 1 18 12 16 o 80.56739 11.26620 66.94199   18.15376 66.94199   18.15376 ?          ?        80.56739 11.26620 ?        ?        ?         ?        
1 1 1 18 12 17 o 99.85507 9.658183 102.6822   19.28837 102.6822   19.28837 ?          ?        99.85507 9.658183 ?        ?        ?         ?        
1 1 1 18 13 0  o 669.6258 22.07980 4518.017   294.9986 4518.017   294.9986 4518.017   294.9986 669.6258 22.07980 669.6258 22.07980 -0.000000 0.000000 
1 1 1 18 13 1  o 357.1417 8.180564 1277.004   58.43241 1277.004   58.43241 ?          ?        357.1417 8.180564 ?        ?        ?         ?        
1 1 1 18 13 2  o 489.4855 14.25548 2404.239   139.5570 2404.239   139.5570 ?          ?        489.4855 14.25548 ?        ?        ?         ?        
1 1 1 18 13 3  o 267.2005 8.174100 714.8043   43.68248 714.8043   43.68248 ?          ?        267.2005 8.174100 ?        ?        ?         ?        
1 1 1 18 13 4  o 232.0347 6.845760 538.9397   31.76908 538.9397   31.76908 ?          ?        232.0347 6.845760 ?        ?        ?         ?        
1 1 1 18 13 5  o 331.9214 8.716689 1103.408   57.86510 1103.408   57.86510 ?          ?        331.9214 8.716689 ?        ?        ?         ?        
1 1 1 18 13 6  f 536.0053 19.73905 2898.928   211.6048 2898.928   211.6048 ?          ?        536.0053 19.73905 ?        ?        ?         ?        
1 1 1 18 13 7  o 240.3702 7.552416 578.6511   36.30752 578.6511   36.30752 ?          ?        240.3702 7.552416 ?        ?        ?         ?        
1 1 1 18 13 8  o 319.1653 10.93141 1022.284   69.77851 1022.284   69.77851 ?          ?        319.1653 10.93141 ?        ?        ?         ?        
1 1 1 18 13 9  o 213.3541 7.312205 456.1132   31.20177 456.1132   31.20177 ?          ?        213.3541 7.312205 ?        ?        ?         ?        
1 1 1 18 13 10 o 164.4109 9.143907 271.1718   30.06716 271.1718   30.06716 ?          ?        164.4109 9.143907 ?        ?        ?         ?        
1 1 1 18 13 11 f 161.4105 8.786681 261.5276   28.36525 261.5276   28.36525 ?          ?        161.4105 8.786681 ?        ?        ?         ?        
1 1 1 18 13 12 o 249.6671 9.088982 626.8720   45.38440 626.8720   45.38440 ?          ?        249.6671 9.088982 ?        ?        ?         ?        
1 1 1 18 13 13 o 240.7519 9.307734 584.8914   44.81709 584.8914   44.81709 ?          ?        240.7519 9.307734 ?        ?        ?         ?        
1 1 1 18 13 14 o 42.22847 16.21334 13.04801   19.28837 13.04801   19.28837 ?          ?        42.22847 16.21334 ?        ?        ?         ?        
1 1 1 18 13 15 o 76.11068 12.29858 59.56702   18.72106 59.56702   18.72106 ?          ?        76.11068 12.29858 ?        ?        ?         ?        
1 1 1 18 13 16 o 90.65250 10.63863 84.52843   19.28837 84.52843   19.28837 ?          ?        90.65250 10.63863 ?        ?        ?         ?        
1 1 1 18 13 17 o 43.08876 15.92661 17.01915   18.15376 17.01915   18.15376 ?          ?        43.08876 15.92661 ?        ?        ?         ?        
1 1 1 18 14 0  o 292.3943 11.68168 860.0343   68.07660 860.0343   68.07660 860.0343   68.07660 292.3943 11.68168 292.3943 11.68168 -0.000000 0.000000 
1 1 1 18 14 1  o 447.4306 10.07994 2005.423   90.20149 2005.423   90.20149 ?          ?        447.4306 10.07994 ?        ?        ?         ?        
1 1 1 18 14 2  o 675.9816 17.16228 4592.334   232.0277 4592.334   232.0277 ?          ?        675.9816 17.16228 ?        ?        ?         ?        
1 1 1 18 14 3  o 333.0005 9.540250 1110.783   63.53815 1110.783   63.53815 ?          ?        333.0005 9.540250 ?        ?        ?         ?        
1 1 1 18 14 4  o 668.1757 17.02316 4493.055   227.4893 4493.055   227.4893 ?          ?        668.1757 17.02316 ?        ?        ?         ?        
1 1 1 18 14 5  o 307.8800 8.015385 949.1012   49.35553 949.1012   49.35553 ?          ?        307.8800 8.015385 ?        ?        ?         ?        
1 1 1 18 14 6  o 132.4527 10.06522 175.8645   26.66333 175.8645   26.66333 ?          ?        132.4527 10.06522 ?        ?        ?         ?        
1 1 1 18 14 7  o 218.3470 8.314180 477.6707   36.30752 477.6707   36.30752 ?          ?        218.3470 8.314180 ?        ?        ?         ?        
1 1 1 18 14 8  f 398.4380 13.24155 1595.829   105.5187 1595.829   105.5187 ?          ?        398.4380 13.24155 ?        ?        ?         ?        
1 1 1 18 14 9  o 218.6861 7.912164 479.3727   34.60560 479.3727   34.60560 ?          ?        218.6861 7.912164 ?        ?        ?         ?        
1 1 1 18 14 10 o 319.1540 9.509770 1022.284   60.70163 1022.284   60.70163 ?          ?        319.1540 9.509770 ?        ?        ?         ?        
1 1 1 18 14 11 o 49.87232 17.03732 23.25950   20.42298 23.25950   20.42298 ?          ?        49.87232 17.03732 ?        ?        ?         ?        
1 1 1 18 14 12 o 122.7160 9.245819 151.4704   22.69220 151.4704   22.69220 ?          ?        122.7160 9.245819 ?        ?        ?         ?        
1 1 1 18 14 13 o 88.03838 12.24329 78.85539   21.55759 78.85539   21.55759 ?          ?        88.03838 12.24329 ?        ?        ?         ?        
1 1 1 18 14 14 o 154.8984 8.057354 242.2392   24.96142 242.2392   24.96142 ?          ?        154.8984 8.057354 ?        ?        ?         ?        
1 1 1 18 14 15 o 77.35332 11.00092 61.26894   17.01915 61.26894   17.01915 ?          ?        77.35332 11.00092 ?        ?        ?         ?        
1 1 1 18 14 16 o 56.59785 15.20827 35.17290   17.58645 35.17290   17.58645 ?          ?        56.59785 15.20827 ?        ?        ?         ?        
1 1 1 18 14 17 o 94.22872 10.23487 91.90340   19.28837 91.90340   19.28837 ?          ?        94.22872 10.23487 ?        ?        ?         ?        
1 1 1 18 15 0  o 137.5881 9.789189 192.3164   26.66333 192.3164   26.66333 192.3164   26.66333 137.5881 9.789189 137.5881 9.789189 -0.000000 0.000000 
1 1 1 18 15 1  o 272.4113 6.455847 742.6021   35.17290 742.6021   35.17290 ?          ?        272.4113 6.455847 ?        ?        ?         ?        
1 1 1 18 15 2  o 437.2658 9.795307 1915.222   85.66305 1915.222   85.66305 ?          ?        437.2658 9.795307 ?        ?        ?         ?        
1 1 1 18 15 3  o 227.2119 7.365592 516.8148   33.47099 516.8148   33.47099 ?          ?        227.2119 7.365592 ?        ?        ?         ?        
1 1 1 18 15 4  o 704.7462 17.99125 5001.928   253.5853 5001.928   253.5853 ?          ?        704.7462 17.99125 ?        ?        ?         ?        
1 1 1 18 15 5  o 405.9661 10.06142 1651.425   81.69191 1651.425   81.69191 ?          ?        405.9661 10.06142 ?        ?        ?         ?        
1 1 1 18 15 6  o 647.4963 23.61229 4250.249   305.7773 4250.249   305.7773 ?          ?        647.4963 23.61229 ?        ?        ?         ?        
1 1 1 18 15 7  o 192.8876 7.793962 372.7193   30.06716 372.7193   30.06716 ?          ?        192.8876 7.793962 ?        ?        ?         ?        
1 1 1 18 15 8  o 344.3733 11.61385 1190.773   79.99000 1190.773   79.99000 ?          ?        344.3733 11.61385 ?        ?        ?         ?        
1 1 1 18 15 9  o 134.7089 9.686078 182.1049   26.09603 182.1049   26.09603 ?          ?        134.7089 9.686078 ?        ?        ?         ?        
1 1 1 18 15 10 o 312.8615 10.15436 983.1396   63.53815 983.1396   63.53815 ?          ?        312.8615 10.15436 ?        ?        ?         ?        
1 1 1 18 15 11 o 242.4556 8.189408 589.9972   39.71135 589.9972   39.71135 ?          ?        242.4556 8.189408 ?        ?        ?         ?        
1 1 1 18 15 12 o 202.8708 8.389154 413.5653   34.03830 413.5653   34.03830 ?          ?        202.8708 8.389154 ?        ?        ?         ?        
1 1 1 18 15 13 o 182.9056 9.304882 338.1137   34.03830 338.1137   34.03830 ?          ?        182.9056 9.304882 ?        ?        ?         ?        
1 1 1 18 15 14 o 116.1494 7.814835 136.1532   18.15376 136.1532   18.15376 ?          ?        116.1494 7.814835 ?        ?        ?         ?        
1 1 1 18 15 15 o 77.37381 12.46441 61.83624   19.28837 61.83624   19.28837 ?          ?        77.37381 12.46441 ?        ?        ?         ?        
1 1 1 18 15 16 o 58.69748 15.30691 38.00943   18.15376 38.00943   18.15376 ?          ?        58.69748 15.30691 ?        ?        ?         ?        
1 1 1 18 15 17 o 68.81345 13.25121 51.62476   17.58645 51.62476   17.58645 ?          ?        68.81345 13.25121 ?        ?        ?         ?        
1 1 1 18 16 0  o 474.7961 13.70612 2263.547   129.9128 2263.547   129.9128 2263.547   129.9128 474.7961 13.70612 474.7961 13.70612 -0.000000 0.000000 
1 1 1 18 16 1  o 258.4246 6.256445 668.2853   32.33638 668.2853   32.33638 ?          ?        258.4246 6.256445 ?        ?        ?         ?        
1 1 1 18 16 2  o 390.9373 8.924515 1530.589   69.77851 1530.589   69.77851 ?          ?        390.9373 8.924515 ?        ?        ?         ?        
1 1 1 18 16 3  o 132.7655 6.623128 176.4319   17.58645 176.4319   17.58645 ?          ?        132.7655 6.623128 ?        ?        ?         ?        
1 1 1 18 16 4  o 344.3996 9.801013 1188.504   67.50929 1188.504   67.50929 ?          ?        344.3996 9.801013 ?        ?        ?         ?        
1 1 1 18 16 5  o 272.6921 6.657237 744.3041   36.30752 744.3041   36.30752 ?          ?        272.6921 6.657237 ?        ?        ?         ?        
1 1 1 18 16 6  o 371.7390 12.20867 1387.061   90.76879 1387.061   90.76879 ?          ?        371.7390 12.20867 ?        ?        ?         ?        
1 1 1 18 16 7  o 317.7845 8.479640 1012.072   53.89397 1012.072   53.89397 ?          ?        317.7845 8.479640 ?        ?        ?         ?        
1 1 1 18 16 8  o 145.5161 7.992071 212.1721   23.25950 212.1721   23.25950 ?          ?        145.5161 7.992071 ?        ?        ?         ?        
1 1 1 18 16 9  o 213.4432 8.106512 456.6805   34.60560 456.6805   34.60560 ?          ?        213.4432 8.106512 ?        ?        ?         ?        
1 1 1 18 16 10 o 104.1247 10.07940 108.9226   20.99029 108.9226   20.99029 ?          ?        104.1247 10.07940 ?        ?        ?         ?        
1 1 1 18 16 11 o 312.4990 10.07537 982.0049   62.97085 982.0049   62.97085 ?          ?        312.4990 10.07537 ?        ?        ?         ?        
1 1 1 18 16 12 o 178.7167 8.570681 321.0946   30.63447 321.0946   30.63447 ?          ?        178.7167 8.570681 ?        ?        ?         ?        
1 1 1 18 16 13 o 168.1174 8.773588 285.3544   29.49986 285.3544   29.49986 ?          ?        168.1174 8.773588 ?        ?        ?         ?        
1 1 1 18 16 14 o 78.89571 11.50491 63.53815   18.15376 63.53815   18.15376 ?          ?        78.89571 11.50491 ?        ?        ?         ?        
1 1 1 18 16 15 o 67.01308 14.78807 48.78823   19.28837 48.78823   19.28837 ?          ?        67.01308 14.78807 ?        ?        ?         ?        
1 1 1 18 16 16 o 66.81693 13.20559 48.22092   17.01915 48.22092   17.01915 ?          ?        66.81693 13.20559 ?        ?        ?         ?        
1 1 1 18 16 17 o 33.22591 14.26073 1.134610   17.01915 1.134610   17.01915 ?          ?        33.22591 14.26073 ?        ?        ?         ?        
1 1 1 18 17 0  o 128.5244 10.28077 168.4896   26.09603 168.4896   26.09603 168.4896   26.09603 128.5244 10.28077 128.5244 10.28077 -0.000000 0.000000 
1 1 1 18 17 1  o 425.2260 8.938644 1810.838   76.01886 1810.838   76.01886 ?          ?        425.2260 8.938644 ?        ?        ?         ?        
1 1 1 18 17 2  o 515.5814 11.38832 2665.199   117.4321 2665.199   117.4321 ?          ?        515.5814 11.38832 ?        ?        ?         ?        
1 1 1 18 17 3  o 334.8568 7.539065 1122.697   50.49014 1122.697   50.49014 ?          ?        334.8568 7.539065 ?        ?        ?         ?        
1 1 1 18 17 4  f 795.2404 18.40509 6366.864   292.7294 6366.864   292.7294 ?          ?        795.2404 18.40509 ?        ?        ?         ?        
1 1 1 18 17 5  o 278.9784 8.235711 779.4771   45.95170 779.4771   45.95170 ?          ?        278.9784 8.235711 ?        ?        ?         ?        
1 1 1 18 17 6  o 182.3561 7.466335 333.0080   27.23064 333.0080   27.23064 ?          ?        182.3561 7.466335 ?        ?        ?         ?        
1 1 1 18 17 7  o 173.5833 7.353450 301.8062   25.52872 301.8062   25.52872 ?          ?        173.5833 7.353450 ?        ?        ?         ?        
1 1 1 18 17 8  o 328.7839 9.403782 1084.120   61.83624 1084.120   61.83624 ?          ?        328.7839 9.403782 ?        ?        ?         ?        
1 1 1 18 17 9  o 198.4353 8.719617 394.8442   34.60560 394.8442   34.60560 ?          ?        198.4353 8.719617 ?        ?        ?         ?        
1 1 1 18 17 10 o 164.1895 8.983480 270.6045   29.49986 270.6045   29.49986 ?          ?        164.1895 8.983480 ?        ?        ?         ?        
1 1 1 18 17 11 o 125.2320 9.966067 157.7108   24.96142 157.7108   24.96142 ?          ?        125.2320 9.966067 ?        ?        ?         ?        
1 1 1 18 17 12 o 73.73064 17.54274 57.86510   25.52872 57.86510   25.52872 ?          ?        73.73064 17.54274 ?        ?        ?         ?        
1 1 1 18 17 13 o 154.3217 9.006492 240.5373   27.79794 240.5373   27.79794 ?          ?        154.3217 9.006492 ?        ?        ?         ?        
1 1 1 18 17 14 f 113.7336 8.978425 131.0475   20.42298 131.0475   20.42298 ?          ?        113.7336 8.978425 ?        ?        ?         ?        
1 1 1 18 17 15 o 111.9954 9.877587 128.2109   22.12490 128.2109   22.12490 ?          ?        111.9954 9.877587 ?        ?        ?         ?        
1 1 1 18 17 16 o 161.4998 7.552368 264.9314   24.39412 264.9314   24.39412 ?          ?        161.4998 7.552368 ?        ?        ?         ?        
1 1 1 18 17 17 o 21.52927 10.54399 -28.36525  15.31723 -28.36525  15.31723 ?          ?        21.52927 10.54399 ?        ?        ?         ?        
1 1 1 18 18 0  o 45.85530 22.31105 31.20177   23.82681 31.20177   23.82681 31.20177   23.82681 45.85530 22.31105 45.85530 22.31105 -0.000000 0.000000 
1 1 1 18 18 1  o 31.30865 13.61214 -2.836525  15.88454 -2.836525  15.88454 ?          ?        31.30865 13.61214 ?        ?        ?         ?        
1 1 1 18 18 2  o 844.5793 16.99404 7177.542   287.0563 7177.542   287.0563 ?          ?        844.5793 16.99404 ?        ?        ?         ?        
1 1 1 18 18 3  o 147.3352 6.545743 217.2778   19.28837 217.2778   19.28837 ?          ?        147.3352 6.545743 ?        ?        ?         ?        
1 1 1 18 18 4  o 242.8455 8.409866 590.5645   40.84595 590.5645   40.84595 ?          ?        242.8455 8.409866 ?        ?        ?         ?        
1 1 1 18 18 5  o 221.5094 7.299099 491.2861   32.33638 491.2861   32.33638 ?          ?        221.5094 7.299099 ?        ?        ?         ?        
1 1 1 18 18 6  o 183.5807 7.725553 337.5464   28.36525 337.5464   28.36525 ?          ?        183.5807 7.725553 ?        ?        ?         ?        
1 1 1 18 18 7  o 79.52554 12.48383 63.53815   19.85567 63.53815   19.85567 ?          ?        79.52554 12.48383 ?        ?        ?         ?        
1 1 1 18 18 8  o 149.5141 8.347516 224.0854   24.96142 224.0854   24.96142 ?          ?        149.5141 8.347516 ?        ?        ?         ?        
1 1 1 18 18 9  o 494.2459 16.12686 2465.508   159.4127 2465.508   159.4127 ?          ?        494.2459 16.12686 ?        ?        ?         ?        
1 1 1 18 18 10 o 545.3402 15.70819 3007.283   171.3261 3007.283   171.3261 ?          ?        545.3402 15.70819 ?        ?        ?         ?        
1 1 1 18 18 11 o 114.3624 10.16921 131.6148   23.25950 131.6148   23.25950 ?          ?        114.3624 10.16921 ?        ?        ?         ?        
1 1 1 18 18 12 o 93.22682 11.56190 87.93227   21.55759 87.93227   21.55759 ?          ?        93.22682 11.56190 ?        ?        ?         ?        
1 1 1 18 18 13 o 156.5814 8.514206 247.3450   26.66333 247.3450   26.66333 ?          ?        156.5814 8.514206 ?        ?        ?         ?        
1 1 1 18 18 14 o 332.5541 11.08837 1128.370   73.74965 1128.370   73.74965 ?          ?        332.5541 11.08837 ?        ?        ?         ?        
1 1 1 18 18 15 o 74.12594 15.06516 59.56702   21.55759 59.56702   21.55759 ?          ?        74.12594 15.06516 ?        ?        ?         ?        
1 1 1 18 18 16 o 99.39380 9.988386 101.5476   19.85567 101.5476   19.85567 ?          ?        99.39380 9.988386 ?        ?        ?         ?        
1 1 1 18 18 17 o 96.79438 8.205300 95.87454   15.88454 95.87454   15.88454 ?          ?        96.79438 8.205300 ?        ?        ?         ?        
1 1 1 18 19 0  o 303.8507 14.44609 931.5147   87.36497 931.5147   87.36497 931.5147   87.36497 303.8507 14.44609 303.8507 14.44609 -0.000000 0.000000 
1 1 1 18 19 1  o 351.5197 7.827241 1237.292   55.02858 1237.292   55.02858 ?          ?        351.5197 7.827241 ?        ?        ?         ?        
1 1 1 18 19 2  o 816.7629 16.28784 6710.083   266.0660 6710.083   266.0660 ?          ?        816.7629 16.28784 ?        ?        ?         ?        
1 1 1 18 19 3  o 163.2204 6.430045 266.6333   20.99029 266.6333   20.99029 ?          ?        163.2204 6.430045 ?        ?        ?         ?        
1 1 1 18 19 4  o 434.9905 9.781334 1895.933   85.09574 1895.933   85.09574 ?          ?        434.9905 9.781334 ?        ?        ?         ?        
1 1 1 18 19 5  o 76.66162 12.58020 58.99971   19.28837 58.99971   19.28837 ?          ?        76.66162 12.58020 ?        ?        ?         ?        
1 1 1 18 19 6  o 189.5296 6.734759 359.6714   25.52872 359.6714   25.52872 ?          ?        189.5296 6.734759 ?        ?        ?         ?        
1 1 1 18 19 7  o 156.0574 7.452228 243.9411   23.25950 243.9411   23.25950 ?          ?        156.0574 7.452228 ?        ?        ?         ?        
1 1 1 18 19 8  o 424.7096 12.55603 1814.241   106.6533 1814.241   106.6533 ?          ?        424.7096 12.55603 ?        ?        ?         ?        
1 1 1 18 19 9  o 95.20267 14.59935 91.33610   27.79794 91.33610   27.79794 ?          ?        95.20267 14.59935 ?        ?        ?         ?        
1 1 1 18 19 10 o 228.2976 10.31249 523.6225   47.08631 523.6225   47.08631 ?          ?        228.2976 10.31249 ?        ?        ?         ?        
1 1 1 18 19 11 o 67.53111 18.10622 48.22092   24.96142 48.22092   24.96142 ?          ?        67.53111 18.10622 ?        ?        ?         ?        
1 1 1 18 19 12 o 228.5905 7.693431 525.3243   35.17290 525.3243   35.17290 ?          ?        228.5905 7.693431 ?        ?        ?         ?        
1 1 1 18 19 13 o 78.28439 14.29991 64.67276   21.55759 64.67276   21.55759 ?          ?        78.28439 14.29991 ?        ?        ?         ?        
1 1 1 18 19 14 o 71.40364 14.40878 54.46128   19.85567 54.46128   19.85567 ?          ?        71.40364 14.40878 ?        ?        ?         ?        
1 1 1 18 19 15 o 36.84188 15.71080 1.701915   20.42298 1.701915   20.42298 ?          ?        36.84188 15.71080 ?        ?        ?         ?        
1 1 1 18 19 16 o 95.49644 9.504940 93.60532   18.15376 93.60532   18.15376 ?          ?        95.49644 9.504940 ?        ?        ?         ?        
1 1 1 18 20 0  o 563.2705 16.29577 3189.956   183.2395 3189.956   183.2395 3189.956   183.2395 563.2705 16.29577 563.2705 16.29577 -0.000000 0.000000 
1 1 1 18 20 1  o 252.7480 6.172506 639.3527   31.20177 639.3527   31.20177 ?          ?        252.7480 6.172506 ?        ?        ?         ?        
1 1 1 18 20 2  o 382.3069 8.161448 1463.647   62.40355 1463.647   62.40355 ?          ?        382.3069 8.161448 ?        ?        ?         ?        
1 1 1 18 20 3  o 491.3383 10.10285 2418.988   99.27837 2418.988   99.27837 ?          ?        491.3383 10.10285 ?        ?        ?         ?        
1 1 1 18 20 4  o 198.3289 6.435957 393.7097   25.52872 393.7097   25.52872 ?          ?        198.3289 6.435957 ?        ?        ?         ?        
1 1 1 18 20 5  o 465.4455 12.18843 2174.480   113.4610 2174.480   113.4610 ?          ?        465.4455 12.18843 ?        ?        ?         ?        
1 1 1 18 20 6  o 325.2442 8.808430 1060.293   57.29780 1060.293   57.29780 ?          ?        325.2442 8.808430 ?        ?        ?         ?        
1 1 1 18 20 7  o 111.3374 8.662123 124.2398   19.28837 124.2398   19.28837 ?          ?        111.3374 8.662123 ?        ?        ?         ?        
1 1 1 18 20 8  o 257.1135 7.832856 662.6122   40.27865 662.6122   40.27865 ?          ?        257.1135 7.832856 ?        ?        ?         ?        
1 1 1 18 20 9  f 255.4445 9.327587 654.6700   47.65361 654.6700   47.65361 ?          ?        255.4445 9.327587 ?        ?        ?         ?        
1 1 1 18 20 10 o 106.7878 10.35928 114.5956   22.12490 114.5956   22.12490 ?          ?        106.7878 10.35928 ?        ?        ?         ?        
1 1 1 18 20 11 o 72.37415 17.42743 55.59589   24.96142 55.59589   24.96142 ?          ?        72.37415 17.42743 ?        ?        ?         ?        
1 1 1 18 20 12 o 154.0367 8.654861 238.8354   26.66333 238.8354   26.66333 ?          ?        154.0367 8.654861 ?        ?        ?         ?        
1 1 1 18 20 13 o 128.3570 9.723433 166.7877   24.96142 166.7877   24.96142 ?          ?        128.3570 9.723433 ?        ?        ?         ?        
1 1 1 18 20 14 o 110.1437 10.81624 123.6725   23.82681 123.6725   23.82681 ?          ?        110.1437 10.81624 ?        ?        ?         ?        
1 1 1 18 20 15 o 31.51084 13.88918 -3.403830  17.01915 -3.403830  17.01915 ?          ?        31.51084 13.88918 ?        ?        ?         ?        
1 1 1 18 20 16 o 114.4269 7.684579 133.3167   17.58645 133.3167   17.58645 ?          ?        114.4269 7.684579 ?        ?        ?         ?        
1 1 1 18 21 0  o 242.0355 9.998460 589.4299   48.22092 589.4299   48.22092 589.4299   48.22092 242.0355 9.998460 242.0355 9.998460 -0.000000 0.000000 
1 1 1 18 21 1  o 395.6041 8.604132 1567.464   68.07660 1567.464   68.07660 ?          ?        395.6041 8.604132 ?        ?        ?         ?        
1 1 1 18 21 2  o 727.4052 14.70116 5313.945   213.8740 5313.945   213.8740 ?          ?        727.4052 14.70116 ?        ?        ?         ?        
1 1 1 18 21 3  f 211.4837 6.169748 447.6036   26.09603 447.6036   26.09603 ?          ?        211.4837 6.169748 ?        ?        ?         ?        
1 1 1 18 21 4  o 206.9876 6.577845 428.8826   27.23064 428.8826   27.23064 ?          ?        206.9876 6.577845 ?        ?        ?         ?        
1 1 1 18 21 5  o 265.6445 8.115203 706.8619   43.11518 706.8619   43.11518 ?          ?        265.6445 8.115203 ?        ?        ?         ?        
1 1 1 18 21 6  f 274.4404 7.648395 754.5156   41.98057 754.5156   41.98057 ?          ?        274.4404 7.648395 ?        ?        ?         ?        
1 1 1 18 21 7  o 139.7771 7.508483 195.7202   20.99029 195.7202   20.99029 ?          ?        139.7771 7.508483 ?        ?        ?         ?        
1 1 1 18 21 8  o 256.3355 7.967285 658.6411   40.84595 658.6411   40.84595 ?          ?        256.3355 7.967285 ?        ?        ?         ?        
1 1 1 18 21 9  o 83.48917 15.52907 72.61504   24.96142 72.61504   24.96142 ?          ?        83.48917 15.52907 ?        ?        ?         ?        
1 1 1 18 21 10 o 83.47981 13.59143 70.34581   22.69220 70.34581   22.69220 ?          ?        83.47981 13.59143 ?        ?        ?         ?        
1 1 1 18 21 11 o 64.95398 18.66039 44.24979   25.52872 44.24979   25.52872 ?          ?        64.95398 18.66039 ?        ?        ?         ?        
1 1 1 18 21 12 f 330.7391 9.433954 1102.841   62.40355 1102.841   62.40355 ?          ?        330.7391 9.433954 ?        ?        ?         ?        
1 1 1 18 21 13 o 53.96526 16.12127 30.63447   18.72106 30.63447   18.72106 ?          ?        53.96526 16.12127 ?        ?        ?         ?        
1 1 1 18 21 14 o 150.4476 7.730100 228.6239   23.25950 228.6239   23.25950 ?          ?        150.4476 7.730100 ?        ?        ?         ?        
1 1 1 18 21 15 o 95.67644 9.190588 93.60532   17.58645 93.60532   17.58645 ?          ?        95.67644 9.190588 ?        ?        ?         ?        
1 1 1 18 21 16 o 94.31308 10.22571 91.90340   19.28837 91.90340   19.28837 ?          ?        94.31308 10.22571 ?        ?        ?         ?        
1 1 1 18 22 0  o 614.1832 17.76735 3793.568   217.8451 3793.568   217.8451 3793.568   217.8451 614.1832 17.76735 614.1832 17.76735 -0.000000 0.000000 
1 1 1 18 22 1  o 295.4280 7.105042 873.6497   41.98057 873.6497   41.98057 ?          ?        295.4280 7.105042 ?        ?        ?         ?        
1 1 1 18 22 2  o 295.4306 7.008966 873.6497   41.41326 873.6497   41.41326 ?          ?        295.4306 7.008966 ?        ?        ?         ?        
1 1 1 18 22 3  o 134.8692 7.150771 182.1049   19.28837 182.1049   19.28837 ?          ?        134.8692 7.150771 ?        ?        ?         ?        
1 1 1 18 22 4  o 327.8390 8.565665 1076.745   56.16319 1076.745   56.16319 ?          ?        327.8390 8.565665 ?        ?        ?         ?        
1 1 1 18 22 5  o 84.03111 12.48959 70.91312   20.99029 70.91312   20.99029 ?          ?        84.03111 12.48959 ?        ?        ?         ?        
1 1 1 18 22 6  o 161.7802 6.837948 262.0949   22.12490 262.0949   22.12490 ?          ?        161.7802 6.837948 ?        ?        ?         ?        
1 1 1 18 22 7  o 281.2141 8.069368 792.5250   45.38440 792.5250   45.38440 ?          ?        281.2141 8.069368 ?        ?        ?         ?        
1 1 1 18 22 8  o 200.5060 7.214886 402.7865   28.93255 402.7865   28.93255 ?          ?        200.5060 7.214886 ?        ?        ?         ?        
1 1 1 18 22 9  o 66.29667 19.61110 45.38440   27.79794 45.38440   27.79794 ?          ?        66.29667 19.61110 ?        ?        ?         ?        
1 1 1 18 22 10 o 274.6899 8.261024 757.3521   45.38440 757.3521   45.38440 ?          ?        274.6899 8.261024 ?        ?        ?         ?        
1 1 1 18 22 11 o 37.03704 16.28458 -5.673049  23.25950 -5.673049  23.25950 ?          ?        37.03704 16.28458 ?        ?        ?         ?        
1 1 1 18 22 12 o 80.39049 13.05520 65.80738   20.99029 65.80738   20.99029 ?          ?        80.39049 13.05520 ?        ?        ?         ?        
1 1 1 18 22 13 o 37.49308 15.83773 2.269220   20.42298 2.269220   20.42298 ?          ?        37.49308 15.83773 ?        ?        ?         ?        
1 1 1 18 22 14 f 147.3313 8.086129 219.5470   23.82681 219.5470   23.82681 ?          ?        147.3313 8.086129 ?        ?        ?         ?        
1 1 1 18 22 15 o 197.3160 7.044015 394.2770   27.79794 394.2770   27.79794 ?          ?        197.3160 7.044015 ?        ?        ?         ?        
1 1 1 18 22 16 o 136.0188 7.507411 188.3452   20.42298 188.3452   20.42298 ?          ?        136.0188 7.507411 ?        ?        ?         ?        
1 1 1 18 23 0  o 43.79384 22.54297 28.36525   24.96142 28.36525   24.96142 28.36525   24.96142 43.79384 22.54297 43.79384 22.54297 -0.000000 0.000000 
1 1 1 18 23 1  o 220.7923 6.295045 487.8823   27.79794 487.8823   27.79794 ?          ?        220.7923 6.295045 ?        ?        ?         ?        
1 1 1 18 23 2  o 160.5841 6.712241 258.1238   21.55759 258.1238   21.55759 ?          ?        160.5841 6.712241 ?        ?        ?         ?        
1 1 1 18 23 3  o 128.1725 7.745682 164.5184   19.85567 164.5184   19.85567 ?          ?        128.1725 7.745682 ?        ?        ?         ?        
1 1 1 18 23 4  o 211.7144 6.698943 448.7382   28.36525 448.7382   28.36525 ?          ?        211.7144 6.698943 ?        ?        ?         ?        
1 1 1 18 23 5  o 37.37332 16.25958 -3.971134  22.69220 -3.971134  22.69220 ?          ?        37.37332 16.25958 ?        ?        ?         ?        
1 1 1 18 23 6  o 139.0756 10.19778 194.0183   28.36525 194.0183   28.36525 ?          ?        139.0756 10.19778 ?        ?        ?         ?        
1 1 1 18 23 7  o 309.5169 8.431213 960.4473   52.19205 960.4473   52.19205 ?          ?        309.5169 8.431213 ?        ?        ?         ?        
1 1 1 18 23 8  o 686.6689 16.35816 4760.256   224.6528 4760.256   224.6528 ?          ?        686.6689 16.35816 ?        ?        ?         ?        
1 1 1 18 23 9  f 239.3999 8.886361 575.2472   42.54787 575.2472   42.54787 ?          ?        239.3999 8.886361 ?        ?        ?         ?        
1 1 1 18 23 10 o 206.8154 6.994778 428.8826   28.93255 428.8826   28.93255 ?          ?        206.8154 6.994778 ?        ?        ?         ?        
1 1 1 18 23 11 o 196.8535 7.781033 389.1712   30.63447 389.1712   30.63447 ?          ?        196.8535 7.781033 ?        ?        ?         ?        
1 1 1 18 23 12 o 83.27028 13.62563 70.91312   22.69220 70.91312   22.69220 ?          ?        83.27028 13.62563 ?        ?        ?         ?        
1 1 1 18 23 13 o 56.18752 16.55973 33.47099   19.85567 33.47099   19.85567 ?          ?        56.18752 16.55973 ?        ?        ?         ?        
1 1 1 18 23 14 o 264.3962 7.724385 706.8619   40.84595 706.8619   40.84595 ?          ?        264.3962 7.724385 ?        ?        ?         ?        
1 1 1 18 23 15 o 141.3022 7.628185 202.5279   21.55759 202.5279   21.55759 ?          ?        141.3022 7.628185 ?        ?        ?         ?        
1 1 1 18 23 16 o 140.8063 7.655054 201.9606   21.55759 201.9606   21.55759 ?          ?        140.8063 7.655054 ?        ?        ?         ?        
1 1 1 18 24 0  o 331.2956 11.24449 1102.841   74.31695 1102.841   74.31695 1102.841   74.31695 331.2956 11.24449 331.2956 11.24449 -0.000000 0.000000 
1 1 1 18 24 1  o 556.5778 12.38417 3108.264   137.8551 3108.264   137.8551 ?          ?        556.5778 12.38417 ?        ?        ?         ?        
1 1 1 18 24 2  o 459.5268 10.55533 2117.182   97.00916 2117.182   97.00916 ?          ?        459.5268 10.55533 ?        ?        ?         ?        
1 1 1 18 24 3  o 191.7698 6.803998 368.1809   26.09603 368.1809   26.09603 ?          ?        191.7698 6.803998 ?        ?        ?         ?        
1 1 1 18 24 4  o 356.3230 10.03029 1273.032   71.48043 1273.032   71.48043 ?          ?        356.3230 10.03029 ?        ?        ?         ?        
1 1 1 18 24 5  o 295.7563 8.152140 876.4862   48.22092 876.4862   48.22092 ?          ?        295.7563 8.152140 ?        ?        ?         ?        
1 1 1 18 24 6  o 76.82373 16.71212 61.83624   24.96142 61.83624   24.96142 ?          ?        76.82373 16.71212 ?        ?        ?         ?        
1 1 1 18 24 7  o 274.1824 7.552138 753.3810   41.41326 753.3810   41.41326 ?          ?        274.1824 7.552138 ?        ?        ?         ?        
1 1 1 18 24 8  o 219.3759 7.370085 482.2092   32.33638 482.2092   32.33638 ?          ?        219.3759 7.370085 ?        ?        ?         ?        
1 1 1 18 24 9  f 121.2476 8.655956 147.4993   20.99029 147.4993   20.99029 ?          ?        121.2476 8.655956 ?        ?        ?         ?        
1 1 1 18 24 10 o 169.4995 7.195928 288.1909   24.39412 288.1909   24.39412 ?          ?        169.4995 7.195928 ?        ?        ?         ?        
1 1 1 18 24 11 o 166.5405 7.323779 278.5467   24.39412 278.5467   24.39412 ?          ?        166.5405 7.323779 ?        ?        ?         ?        
1 1 1 18 24 12 o 179.5705 8.056045 325.0657   28.93255 325.0657   28.93255 ?          ?        179.5705 8.056045 ?        ?        ?         ?        
1 1 1 18 24 13 o 61.60069 17.55985 40.84595   22.69220 40.84595   22.69220 ?          ?        61.60069 17.55985 ?        ?        ?         ?        
1 1 1 18 24 14 o 59.07346 16.60114 38.00943   20.42298 38.00943   20.42298 ?          ?        59.07346 16.60114 ?        ?        ?         ?        
1 1 1 18 24 15 o 202.2883 7.151317 414.6999   28.93255 414.6999   28.93255 ?          ?        202.2883 7.151317 ?        ?        ?         ?        
1 1 1 18 24 16 f 169.5871 8.195774 293.8640   27.79794 293.8640   27.79794 ?          ?        169.5871 8.195774 ?        ?        ?         ?        
1 1 1 18 25 0  o 29.98527 19.27625 2.269220   25.52872 2.269220   25.52872 2.269220   25.52872 29.98527 19.27625 29.98527 19.27625 -0.000000 0.000000 
1 1 1 18 25 1  o 361.7559 8.703502 1311.042   62.97085 1311.042   62.97085 ?          ?        361.7559 8.703502 ?        ?        ?         ?        
1 1 1 18 25 2  f 550.9130 12.30556 3046.428   135.5859 3046.428   135.5859 ?          ?        550.9130 12.30556 ?        ?        ?         ?        
1 1 1 18 25 3  o 235.0493 6.757961 553.1223   31.76908 553.1223   31.76908 ?          ?        235.0493 6.757961 ?        ?        ?         ?        
1 1 1 18 25 4  o 202.5267 6.862786 410.7288   27.79794 410.7288   27.79794 ?          ?        202.5267 6.862786 ?        ?        ?         ?        
1 1 1 18 25 5  f 210.0546 7.292027 441.9306   30.63447 441.9306   30.63447 ?          ?        210.0546 7.292027 ?        ?        ?         ?        
1 1 1 18 25 6  o 44.67481 16.81659 14.74993   20.42298 14.74993   20.42298 ?          ?        44.67481 16.81659 ?        ?        ?         ?        
1 1 1 18 25 7  o 154.9127 7.873506 240.5373   24.39412 240.5373   24.39412 ?          ?        154.9127 7.873506 ?        ?        ?         ?        
1 1 1 18 25 8  o 264.7170 7.607870 702.3236   40.27865 702.3236   40.27865 ?          ?        264.7170 7.607870 ?        ?        ?         ?        
1 1 1 18 25 9  o 310.1017 8.049429 964.4185   49.92284 964.4185   49.92284 ?          ?        310.1017 8.049429 ?        ?        ?         ?        
1 1 1 18 25 10 f 171.5702 7.770386 295.5659   26.66333 295.5659   26.66333 ?          ?        171.5702 7.770386 ?        ?        ?         ?        
1 1 1 18 25 11 o 153.9049 8.109364 238.2681   24.96142 238.2681   24.96142 ?          ?        153.9049 8.109364 ?        ?        ?         ?        
1 1 1 18 25 12 o 259.2197 8.535191 677.9294   44.24979 677.9294   44.24979 ?          ?        259.2197 8.535191 ?        ?        ?         ?        
1 1 1 18 25 13 o 59.82237 15.86060 38.57674   19.28837 38.57674   19.28837 ?          ?        59.82237 15.86060 ?        ?        ?         ?        
1 1 1 18 25 14 o 72.93911 15.27013 57.86510   21.55759 57.86510   21.55759 ?          ?        72.93911 15.27013 ?        ?        ?         ?        
1 1 1 18 25 15 o 146.2527 8.145768 217.8451   23.82681 217.8451   23.82681 ?          ?        146.2527 8.145768 ?        ?        ?         ?        
1 1 1 18 25 16 o 107.7641 9.475778 119.7014   20.42298 119.7014   20.42298 ?          ?        107.7641 9.475778 ?        ?        ?         ?        
1 1 1 18 26 0  o 278.8605 10.20164 781.7462   56.73050 781.7462   56.73050 781.7462   56.73050 278.8605 10.20164 278.8605 10.20164 -0.000000 0.000000 
1 1 1 18 26 1  o 442.7199 10.25127 1965.144   90.76879 1965.144   90.76879 ?          ?        442.7199 10.25127 ?        ?        ?         ?        
1 1 1 18 26 2  o 324.0410 8.140848 1051.783   52.75936 1051.783   52.75936 ?          ?        324.0410 8.140848 ?        ?        ?         ?        
1 1 1 18 26 3  f 38.75381 15.49881 7.374964   18.15376 7.374964   18.15376 ?          ?        38.75381 15.49881 ?        ?        ?         ?        
1 1 1 18 26 4  o 510.6292 12.49866 2619.814   127.6436 2619.814   127.6436 ?          ?        510.6292 12.49866 ?        ?        ?         ?        
1 1 1 18 26 5  o 295.5128 8.926747 875.3516   52.75936 875.3516   52.75936 ?          ?        295.5128 8.926747 ?        ?        ?         ?        
1 1 1 18 26 6  o 151.2264 7.877861 229.1912   23.82681 229.1912   23.82681 ?          ?        151.2264 7.877861 ?        ?        ?         ?        
1 1 1 18 26 7  o 182.7010 8.694279 334.7099   31.76908 334.7099   31.76908 ?          ?        182.7010 8.694279 ?        ?        ?         ?        
1 1 1 18 26 8  o 137.0360 8.279650 188.3452   22.69220 188.3452   22.69220 ?          ?        137.0360 8.279650 ?        ?        ?         ?        
1 1 1 18 26 9  o 173.1592 7.371459 300.6716   25.52872 300.6716   25.52872 ?          ?        173.1592 7.371459 ?        ?        ?         ?        
1 1 1 18 26 10 o 397.3785 10.99266 1592.425   87.36497 1592.425   87.36497 ?          ?        397.3785 10.99266 ?        ?        ?         ?        
1 1 1 18 26 11 o 209.8816 7.162888 442.4978   30.06716 442.4978   30.06716 ?          ?        209.8816 7.162888 ?        ?        ?         ?        
1 1 1 18 26 12 o 44.16449 17.10003 13.61532   21.55759 13.61532   21.55759 ?          ?        44.16449 17.10003 ?        ?        ?         ?        
1 1 1 18 26 13 o 97.93176 11.87536 98.14376   23.25950 98.14376   23.25950 ?          ?        97.93176 11.87536 ?        ?        ?         ?        
1 1 1 18 26 14 o 98.46336 11.52317 99.84568   22.69220 99.84568   22.69220 ?          ?        98.46336 11.52317 ?        ?        ?         ?        
1 1 1 18 26 15 o 155.5962 7.838918 246.2104   24.39412 246.2104   24.39412 ?          ?        155.5962 7.838918 ?        ?        ?         ?        
1 1 1 18 26 16 o 55.94647 16.86347 35.17290   20.42298 35.17290   20.42298 ?          ?        55.94647 16.86347 ?        ?        ?         ?        
1 1 1 18 27 0  o 204.7448 9.885482 422.6422   40.27865 422.6422   40.27865 422.6422   40.27865 204.7448 9.885482 204.7448 9.885482 -0.000000 0.000000 
1 1 1 18 27 1  o 393.9854 9.143451 1555.550   72.04772 1555.550   72.04772 ?          ?        393.9854 9.143451 ?        ?        ?         ?        
1 1 1 18 27 2  o 82.69340 12.00560 68.64390   19.85567 68.64390   19.85567 ?          ?        82.69340 12.00560 ?        ?        ?         ?        
1 1 1 18 27 3  o 253.4571 6.938630 643.3238   35.17290 643.3238   35.17290 ?          ?        253.4571 6.938630 ?        ?        ?         ?        
1 1 1 18 27 4  o 260.2840 7.083575 678.4968   36.87482 678.4968   36.87482 ?          ?        260.2840 7.083575 ?        ?        ?         ?        
1 1 1 18 27 5  o 374.2396 10.38383 1405.214   77.72078 1405.214   77.72078 ?          ?        374.2396 10.38383 ?        ?        ?         ?        
1 1 1 18 27 6  o 570.0457 14.92788 3276.753   170.1915 3276.753   170.1915 ?          ?        570.0457 14.92788 ?        ?        ?         ?        
1 1 1 18 27 7  o 99.42963 10.84063 99.27837   21.55759 99.27837   21.55759 ?          ?        99.42963 10.84063 ?        ?        ?         ?        
1 1 1 18 27 8  o 169.1701 8.048302 287.0563   27.23064 287.0563   27.23064 ?          ?        169.1701 8.048302 ?        ?        ?         ?        
1 1 1 18 27 9  o 119.7312 9.713216 144.0954   23.25950 144.0954   23.25950 ?          ?        119.7312 9.713216 ?        ?        ?         ?        
1 1 1 18 27 10 o 463.2206 10.71610 2162.567   99.27837 2162.567   99.27837 ?          ?        463.2206 10.71610 ?        ?        ?         ?        
1 1 1 18 27 11 o 71.21754 15.93480 53.89397   22.12490 53.89397   22.12490 ?          ?        71.21754 15.93480 ?        ?        ?         ?        
1 1 1 18 27 12 o 179.1809 7.282032 323.3638   26.09603 323.3638   26.09603 ?          ?        179.1809 7.282032 ?        ?        ?         ?        
1 1 1 18 27 13 o 54.60392 17.22675 31.20177   20.99029 31.20177   20.99029 ?          ?        54.60392 17.22675 ?        ?        ?         ?        
1 1 1 18 27 14 o 150.0853 9.260714 229.7585   27.79794 229.7585   27.79794 ?          ?        150.0853 9.260714 ?        ?        ?         ?        
1 1 1 18 27 15 o 63.64864 15.31530 44.81709   19.28837 44.81709   19.28837 ?          ?        63.64864 15.31530 ?        ?        ?         ?        
1 1 1 18 27 16 o 121.6591 8.859832 152.0377   21.55759 152.0377   21.55759 ?          ?        121.6591 8.859832 ?        ?        ?         ?        
1 1 1 18 28 0  o 318.3484 11.16772 1018.880   70.91312 1018.880   70.91312 1018.880   70.91312 318.3484 11.16772 318.3484 11.16772 -0.000000 0.000000 
1 1 1 18 28 1  o 81.65260 12.15863 66.94199   19.85567 66.94199   19.85567 ?          ?        81.65260 12.15863 ?        ?        ?         ?        
1 1 1 18 28 2  o 282.2003 7.337565 797.6307   41.41326 797.6307   41.41326 ?          ?        282.2003 7.337565 ?        ?        ?         ?        
1 1 1 18 28 3  o 25.19756 12.09445 -25.52872  17.58645 -25.52872  17.58645 ?          ?        25.19756 12.09445 ?        ?        ?         ?        
1 1 1 18 28 4  o 90.53497 10.96575 82.25922   19.85567 82.25922   19.85567 ?          ?        90.53497 10.96575 ?        ?        ?         ?        
1 1 1 18 28 5  o 167.9417 7.093774 282.5179   23.82681 282.5179   23.82681 ?          ?        167.9417 7.093774 ?        ?        ?         ?        
1 1 1 18 28 6  o 438.8600 11.89264 1936.212   104.3841 1936.212   104.3841 ?          ?        438.8600 11.89264 ?        ?        ?         ?        
1 1 1 18 28 7  o 124.2360 9.589335 154.8743   23.82681 154.8743   23.82681 ?          ?        124.2360 9.589335 ?        ?        ?         ?        
1 1 1 18 28 8  o 332.5217 8.274436 1109.081   55.02858 1109.081   55.02858 ?          ?        332.5217 8.274436 ?        ?        ?         ?        
1 1 1 18 28 9  o 242.1522 7.613975 588.2952   36.87482 588.2952   36.87482 ?          ?        242.1522 7.613975 ?        ?        ?         ?        
1 1 1 18 28 10 o 284.7193 7.770773 814.0826   44.24979 814.0826   44.24979 ?          ?        284.7193 7.770773 ?        ?        ?         ?        
1 1 1 18 28 11 o 134.2200 8.242029 181.5376   22.12490 181.5376   22.12490 ?          ?        134.2200 8.242029 ?        ?        ?         ?        
1 1 1 18 28 12 o 276.6069 7.588490 771.5348   41.98057 771.5348   41.98057 ?          ?        276.6069 7.588490 ?        ?        ?         ?        
1 1 1 18 28 13 o 43.82822 16.55931 15.31723   19.85567 15.31723   19.85567 ?          ?        43.82822 16.55931 ?        ?        ?         ?        
1 1 1 18 28 14 o 62.18900 18.62280 43.11518   24.96142 43.11518   24.96142 ?          ?        62.18900 18.62280 ?        ?        ?         ?        
1 1 1 18 28 15 o 204.4479 8.185704 426.6133   33.47099 426.6133   33.47099 ?          ?        204.4479 8.185704 ?        ?        ?         ?        
1 1 1 18 29 0  o 631.4944 19.80663 4022.759   249.6142 4022.759   249.6142 4022.759   249.6142 631.4944 19.80663 631.4944 19.80663 -0.000000 0.000000 
1 1 1 18 29 1  o 69.81700 15.80444 51.05745   21.55759 51.05745   21.55759 ?          ?        69.81700 15.80444 ?        ?        ?         ?        
1 1 1 18 29 2  f 252.3000 7.532588 637.6508   38.00943 637.6508   38.00943 ?          ?        252.3000 7.532588 ?        ?        ?         ?        
1 1 1 18 29 3  o 117.2644 9.191875 137.8551   21.55759 137.8551   21.55759 ?          ?        117.2644 9.191875 ?        ?        ?         ?        
1 1 1 18 29 4  o 366.2487 9.448661 1345.080   69.21120 1345.080   69.21120 ?          ?        366.2487 9.448661 ?        ?        ?         ?        
1 1 1 18 29 5  o 379.6458 9.488810 1446.060   72.04772 1446.060   72.04772 ?          ?        379.6458 9.488810 ?        ?        ?         ?        
1 1 1 18 29 6  o 72.96077 14.89998 55.59589   20.99029 55.59589   20.99029 ?          ?        72.96077 14.89998 ?        ?        ?         ?        
1 1 1 18 29 7  o 200.3556 6.937153 402.2192   27.79794 402.2192   27.79794 ?          ?        200.3556 6.937153 ?        ?        ?         ?        
1 1 1 18 29 8  o 398.9665 11.30439 1600.935   90.20149 1600.935   90.20149 ?          ?        398.9665 11.30439 ?        ?        ?         ?        
1 1 1 18 29 9  f 163.3622 9.202608 268.3353   30.06716 268.3353   30.06716 ?          ?        163.3622 9.202608 ?        ?        ?         ?        
1 1 1 18 29 10 o 465.6650 10.72076 2188.662   99.84568 2188.662   99.84568 ?          ?        465.6650 10.72076 ?        ?        ?         ?        
1 1 1 18 29 11 o 187.4309 6.961505 353.4310   26.09603 353.4310   26.09603 ?          ?        187.4309 6.961505 ?        ?        ?         ?        
1 1 1 18 29 12 f 68.19665 15.34514 49.92284   20.42298 49.92284   20.42298 ?          ?        68.19665 15.34514 ?        ?        ?         ?        
1 1 1 18 29 13 o 99.49670 10.54823 100.9803   20.99029 100.9803   20.99029 ?          ?        99.49670 10.54823 ?        ?        ?         ?        
1 1 1 18 29 14 o 120.9530 9.615097 149.7685   23.25950 149.7685   23.25950 ?          ?        120.9530 9.615097 ?        ?        ?         ?        
1 1 1 18 29 15 o 56.65242 17.64945 35.74022   22.12490 35.74022   22.12490 ?          ?        56.65242 17.64945 ?        ?        ?         ?        
1 1 1 18 30 0  o 221.6903 12.75522 497.5265   56.16319 497.5265   56.16319 497.5265   56.16319 221.6903 12.75522 221.6903 12.75522 -0.000000 0.000000 
1 1 1 18 30 1  o 647.5913 14.45438 4220.182   187.2106 4220.182   187.2106 ?          ?        647.5913 14.45438 ?        ?        ?         ?        
1 1 1 18 30 2  o 279.5395 7.914766 782.8809   44.24979 782.8809   44.24979 ?          ?        279.5395 7.914766 ?        ?        ?         ?        
1 1 1 18 30 3  o 166.2454 7.507400 276.8448   24.96142 276.8448   24.96142 ?          ?        166.2454 7.507400 ?        ?        ?         ?        
1 1 1 18 30 4  o 257.8304 7.481030 666.0161   38.57674 666.0161   38.57674 ?          ?        257.8304 7.481030 ?        ?        ?         ?        
1 1 1 18 30 5  o 338.8887 8.537479 1151.629   57.86510 1151.629   57.86510 ?          ?        338.8887 8.537479 ?        ?        ?         ?        
1 1 1 18 30 6  o 280.5326 8.695642 789.1213   48.78823 789.1213   48.78823 ?          ?        280.5326 8.695642 ?        ?        ?         ?        
1 1 1 18 30 7  o 275.8482 7.712190 763.0251   42.54787 763.0251   42.54787 ?          ?        275.8482 7.712190 ?        ?        ?         ?        
1 1 1 18 30 8  o 122.3487 9.041734 150.3358   22.12490 150.3358   22.12490 ?          ?        122.3487 9.041734 ?        ?        ?         ?        
1 1 1 18 30 9  o 285.8180 8.336357 820.8903   47.65361 820.8903   47.65361 ?          ?        285.8180 8.336357 ?        ?        ?         ?        
1 1 1 18 30 10 f 152.4213 8.188296 233.7296   24.96142 233.7296   24.96142 ?          ?        152.4213 8.188296 ?        ?        ?         ?        
1 1 1 18 30 11 o 145.0910 8.015491 212.1721   23.25950 212.1721   23.25950 ?          ?        145.0910 8.015491 ?        ?        ?         ?        
1 1 1 18 30 12 o 158.1869 8.427794 253.0180   26.66333 253.0180   26.66333 ?          ?        158.1869 8.427794 ?        ?        ?         ?        
1 1 1 18 30 13 f 60.35524 16.46609 39.71135   20.42298 39.71135   20.42298 ?          ?        60.35524 16.46609 ?        ?        ?         ?        
1 1 1 18 30 14 o 105.7356 10.99889 115.1629   23.25950 115.1629   23.25950 ?          ?        105.7356 10.99889 ?        ?        ?         ?        
1 1 1 18 30 15 o 148.5600 8.019255 225.2201   23.82681 225.2201   23.82681 ?          ?        148.5600 8.019255 ?        ?        ?         ?        
1 1 1 18 31 0  o 119.7375 13.56556 149.2012   31.76908 149.2012   31.76908 149.2012   31.76908 119.7375 13.56556 119.7375 13.56556 -0.000000 0.000000 
1 1 1 18 31 1  o 254.4319 7.469472 648.4296   38.00943 648.4296   38.00943 ?          ?        254.4319 7.469472 ?        ?        ?         ?        
1 1 1 18 31 2  o 407.3521 9.539754 1663.905   77.72078 1663.905   77.72078 ?          ?        407.3521 9.539754 ?        ?        ?         ?        
1 1 1 18 31 3  o 311.3368 7.835282 971.2261   48.78823 971.2261   48.78823 ?          ?        311.3368 7.835282 ?        ?        ?         ?        
1 1 1 18 31 4  o 157.4576 7.746248 248.4796   24.39412 248.4796   24.39412 ?          ?        157.4576 7.746248 ?        ?        ?         ?        
1 1 1 18 31 5  o 419.2539 11.36629 1766.020   95.30723 1766.020   95.30723 ?          ?        419.2539 11.36629 ?        ?        ?         ?        
1 1 1 18 31 6  o 287.4112 8.388838 828.2652   48.22092 828.2652   48.22092 ?          ?        287.4112 8.388838 ?        ?        ?         ?        
1 1 1 18 31 7  o 96.77219 11.13832 94.17262   21.55759 94.17262   21.55759 ?          ?        96.77219 11.13832 ?        ?        ?         ?        
1 1 1 18 31 8  o 120.4232 9.892944 145.7974   23.82681 145.7974   23.82681 ?          ?        120.4232 9.892944 ?        ?        ?         ?        
1 1 1 18 31 9  o 44.09647 17.42719 11.34610   22.69220 11.34610   22.69220 ?          ?        44.09647 17.42719 ?        ?        ?         ?        
1 1 1 18 31 10 o 334.6224 8.392025 1126.668   56.16319 1126.668   56.16319 ?          ?        334.6224 8.392025 ?        ?        ?         ?        
1 1 1 18 31 11 o 49.24326 17.23388 22.69220   20.99029 22.69220   20.99029 ?          ?        49.24326 17.23388 ?        ?        ?         ?        
1 1 1 18 31 12 o 96.74142 10.55545 95.30723   20.42298 95.30723   20.42298 ?          ?        96.74142 10.55545 ?        ?        ?         ?        
1 1 1 18 31 13 o 31.19965 14.39238 -14.74993  20.99029 -14.74993  20.99029 ?          ?        31.19965 14.39238 ?        ?        ?         ?        
1 1 1 18 31 14 o 274.9477 8.356443 770.4002   45.95170 770.4002   45.95170 ?          ?        274.9477 8.356443 ?        ?        ?         ?        
1 1 1 18 31 15 o 96.30552 12.66496 97.57646   24.39412 97.57646   24.39412 ?          ?        96.30552 12.66496 ?        ?        ?         ?        
1 1 1 18 32 0  o 27.43659 18.69893 -14.18262  30.06716 -14.18262  30.06716 -14.18262  30.06716 27.43659 18.69893 27.43659 18.69893 -0.000000 0.000000 
1 1 1 18 32 1  o 55.90886 16.86575 31.76908   20.42298 31.76908   20.42298 ?          ?        55.90886 16.86575 ?        ?        ?         ?        
1 1 1 18 32 2  o 423.2552 9.985518 1797.222   84.52843 1797.222   84.52843 ?          ?        423.2552 9.985518 ?        ?        ?         ?        
1 1 1 18 32 3  o 131.3376 9.286799 173.0280   24.39412 173.0280   24.39412 ?          ?        131.3376 9.286799 ?        ?        ?         ?        
1 1 1 18 32 4  o 299.0486 7.777833 896.3418   46.51900 896.3418   46.51900 ?          ?        299.0486 7.777833 ?        ?        ?         ?        
1 1 1 18 32 5  o 147.7912 8.444825 218.9797   24.96142 218.9797   24.96142 ?          ?        147.7912 8.444825 ?        ?        ?         ?        
1 1 1 18 32 6  o 219.3345 7.371475 482.2092   32.33638 482.2092   32.33638 ?          ?        219.3345 7.371475 ?        ?        ?         ?        
1 1 1 18 32 7  o 308.5466 8.825455 955.3415   54.46128 955.3415   54.46128 ?          ?        308.5466 8.825455 ?        ?        ?         ?        
1 1 1 18 32 8  o 310.1024 8.232352 965.5530   51.05745 965.5530   51.05745 ?          ?        310.1024 8.232352 ?        ?        ?         ?        
1 1 1 18 32 9  o 316.5739 8.691270 1007.534   55.02858 1007.534   55.02858 ?          ?        316.5739 8.691270 ?        ?        ?         ?        
1 1 1 18 32 10 o 221.1139 7.568723 491.8534   33.47099 491.8534   33.47099 ?          ?        221.1139 7.568723 ?        ?        ?         ?        
1 1 1 18 32 11 o 90.84158 11.24099 83.96114   20.42298 83.96114   20.42298 ?          ?        90.84158 11.24099 ?        ?        ?         ?        
1 1 1 18 32 12 o 140.7576 8.060739 200.2587   22.69220 200.2587   22.69220 ?          ?        140.7576 8.060739 ?        ?        ?         ?        
1 1 1 18 32 13 o 106.8920 10.08382 116.8648   21.55759 116.8648   21.55759 ?          ?        106.8920 10.08382 ?        ?        ?         ?        
1 1 1 18 32 14 o 34.37869 15.34309 -6.240355  21.55759 -6.240355  21.55759 ?          ?        34.37869 15.34309 ?        ?        ?         ?        
1 1 1 18 32 15 o 104.5617 11.12238 114.0283   23.25950 114.0283   23.25950 ?          ?        104.5617 11.12238 ?        ?        ?         ?        
1 1 1 18 33 0  o 85.43935 22.33245 86.79766   32.90369 86.79766   32.90369 86.79766   32.90369 85.43935 22.33245 85.43935 22.33245 -0.000000 0.000000 
1 1 1 18 33 1  o 121.0618 8.669240 146.9320   20.99029 146.9320   20.99029 ?          ?        121.0618 8.669240 ?        ?        ?         ?        
1 1 1 18 33 2  o 102.7500 11.59455 106.0860   23.82681 106.0860   23.82681 ?          ?        102.7500 11.59455 ?        ?        ?         ?        
1 1 1 18 33 3  o 169.9056 7.679566 289.3255   26.09603 289.3255   26.09603 ?          ?        169.9056 7.679566 ?        ?        ?         ?        
1 1 1 18 33 4  o 59.86588 19.00947 35.74022   25.52872 35.74022   25.52872 ?          ?        59.86588 19.00947 ?        ?        ?         ?        
1 1 1 18 33 5  o 133.2370 9.580193 178.1338   25.52872 178.1338   25.52872 ?          ?        133.2370 9.580193 ?        ?        ?         ?        
1 1 1 18 33 6  o 123.7232 9.629081 153.7396   23.82681 153.7396   23.82681 ?          ?        123.7232 9.629081 ?        ?        ?         ?        
1 1 1 18 33 7  o 131.6721 9.263204 174.1626   24.39412 174.1626   24.39412 ?          ?        131.6721 9.263204 ?        ?        ?         ?        
1 1 1 18 33 8  f 202.5724 7.281313 411.8634   29.49986 411.8634   29.49986 ?          ?        202.5724 7.281313 ?        ?        ?         ?        
1 1 1 18 33 9  o 82.57104 13.39749 69.21120   22.12490 69.21120   22.12490 ?          ?        82.57104 13.39749 ?        ?        ?         ?        
1 1 1 18 33 10 o 45.78370 17.08511 17.01915   20.99029 17.01915   20.99029 ?          ?        45.78370 17.08511 ?        ?        ?         ?        
1 1 1 18 33 11 o 100.6164 9.867021 102.6822   19.85567 102.6822   19.85567 ?          ?        100.6164 9.867021 ?        ?        ?         ?        
1 1 1 18 33 12 o 79.67397 12.81659 65.24007   20.42298 65.24007   20.42298 ?          ?        79.67397 12.81659 ?        ?        ?         ?        
1 1 1 18 33 13 o 93.07504 10.66649 89.06688   19.85567 89.06688   19.85567 ?          ?        93.07504 10.66649 ?        ?        ?         ?        
1 1 1 18 33 14 f 119.9984 9.218831 147.4993   22.12490 147.4993   22.12490 ?          ?        119.9984 9.218831 ?        ?        ?         ?        
1 1 1 18 33 15 o 41.26154 16.59737 11.34610   20.99029 11.34610   20.99029 ?          ?        41.26154 16.59737 ?        ?        ?         ?        
1 1 1 18 34 0  o 384.7782 13.45273 1490.877   103.2495 1490.877   103.2495 1490.877   103.2495 384.7782 13.45273 384.7782 13.45273 -0.000000 0.000000 
1 1 1 18 34 1  o 75.15201 15.25140 58.99971   22.12490 58.99971   22.12490 ?          ?        75.15201 15.25140 ?        ?        ?         ?        
1 1 1 18 34 2  o 143.1083 8.522956 205.3644   24.39412 205.3644   24.39412 ?          ?        143.1083 8.522956 ?        ?        ?         ?        
1 1 1 18 34 3  o 287.0979 7.607593 825.9961   43.68248 825.9961   43.68248 ?          ?        287.0979 7.607593 ?        ?        ?         ?        
1 1 1 18 34 4  o 73.07413 17.95950 56.16319   26.09603 56.16319   26.09603 ?          ?        73.07413 17.95950 ?        ?        ?         ?        
1 1 1 18 34 5  o 203.6824 7.380896 415.8346   30.06716 415.8346   30.06716 ?          ?        203.6824 7.380896 ?        ?        ?         ?        
1 1 1 18 34 6  o 279.1415 7.621202 781.1789   42.54787 781.1789   42.54787 ?          ?        279.1415 7.621202 ?        ?        ?         ?        
1 1 1 18 34 7  o 200.6794 7.349997 403.9211   29.49986 403.9211   29.49986 ?          ?        200.6794 7.349997 ?        ?        ?         ?        
1 1 1 18 34 8  o 278.7642 7.428011 780.0444   41.41326 780.0444   41.41326 ?          ?        278.7642 7.428011 ?        ?        ?         ?        
1 1 1 18 34 9  o 202.0254 7.441432 410.1615   30.06716 410.1615   30.06716 ?          ?        202.0254 7.441432 ?        ?        ?         ?        
1 1 1 18 34 10 o 209.4665 11.51041 445.9017   48.22092 445.9017   48.22092 ?          ?        209.4665 11.51041 ?        ?        ?         ?        
1 1 1 18 34 11 o 101.9068 10.29877 105.5187   20.99029 105.5187   20.99029 ?          ?        101.9068 10.29877 ?        ?        ?         ?        
1 1 1 18 34 12 o 129.3839 8.550095 169.6242   22.12490 169.6242   22.12490 ?          ?        129.3839 8.550095 ?        ?        ?         ?        
1 1 1 18 34 13 o 67.10432 16.21907 49.92284   21.55759 49.92284   21.55759 ?          ?        67.10432 16.21907 ?        ?        ?         ?        
1 1 1 18 34 14 o 125.1137 9.068628 160.5473   22.69220 160.5473   22.69220 ?          ?        125.1137 9.068628 ?        ?        ?         ?        
1 1 1 18 35 0  o 268.7970 11.65517 728.4196   62.40355 728.4196   62.40355 728.4196   62.40355 268.7970 11.65517 268.7970 11.65517 -0.000000 0.000000 
1 1 1 18 35 1  o 262.7919 7.663601 692.1121   40.27865 692.1121   40.27865 ?          ?        262.7919 7.663601 ?        ?        ?         ?        
1 1 1 18 35 2  o 327.5448 8.400161 1075.610   55.02858 1075.610   55.02858 ?          ?        327.5448 8.400161 ?        ?        ?         ?        
1 1 1 18 35 3  o 456.6108 10.62274 2093.355   97.00916 2093.355   97.00916 ?          ?        456.6108 10.62274 ?        ?        ?         ?        
1 1 1 18 35 4  o 423.9153 9.969969 1804.030   84.52843 1804.030   84.52843 ?          ?        423.9153 9.969969 ?        ?        ?         ?        
1 1 1 18 35 5  o 153.1660 8.704065 235.4316   26.66333 235.4316   26.66333 ?          ?        153.1660 8.704065 ?        ?        ?         ?        
1 1 1 18 35 6  o 30.75403 14.26504 -18.15376  20.99029 -18.15376  20.99029 ?          ?        30.75403 14.26504 ?        ?        ?         ?        
1 1 1 18 35 7  o 292.1426 8.350071 857.1978   48.78823 857.1978   48.78823 ?          ?        292.1426 8.350071 ?        ?        ?         ?        
1 1 1 18 35 8  o 76.41291 15.01217 61.26894   22.12490 61.26894   22.12490 ?          ?        76.41291 15.01217 ?        ?        ?         ?        
1 1 1 18 35 9  o 180.7621 7.532176 328.4696   27.23064 328.4696   27.23064 ?          ?        180.7621 7.532176 ?        ?        ?         ?        
1 1 1 18 35 10 o 31.98691 15.04219 -26.09603  24.96142 -26.09603  24.96142 ?          ?        31.98691 15.04219 ?        ?        ?         ?        
1 1 1 18 35 11 o 72.90456 14.52161 56.73050   20.42298 56.73050   20.42298 ?          ?        72.90456 14.52161 ?        ?        ?         ?        
1 1 1 18 35 12 o 195.4774 7.255376 386.3347   28.36525 386.3347   28.36525 ?          ?        195.4774 7.255376 ?        ?        ?         ?        
1 1 1 18 35 13 f 77.35727 14.46997 64.67276   21.55759 64.67276   21.55759 ?          ?        77.35727 14.46997 ?        ?        ?         ?        
1 1 1 18 35 14 o 151.1306 8.070540 233.1623   24.39412 233.1623   24.39412 ?          ?        151.1306 8.070540 ?        ?        ?         ?        
1 1 1 18 36 0  o 337.8347 12.63278 1149.360   85.09574 1149.360   85.09574 1149.360   85.09574 337.8347 12.63278 337.8347 12.63278 -0.000000 0.000000 
1 1 1 18 36 1  o 203.9846 7.648072 416.9691   31.20177 416.9691   31.20177 ?          ?        203.9846 7.648072 ?        ?        ?         ?        
1 1 1 18 36 2  o 31.90757 14.74076 -18.15376  22.12490 -18.15376  22.12490 ?          ?        31.90757 14.74076 ?        ?        ?         ?        
1 1 1 18 36 3  o 240.2393 8.264956 578.6511   39.71135 578.6511   39.71135 ?          ?        240.2393 8.264956 ?        ?        ?         ?        
1 1 1 18 36 4  o 307.1311 8.311996 946.2647   51.05745 946.2647   51.05745 ?          ?        307.1311 8.311996 ?        ?        ?         ?        
1 1 1 18 36 5  o 257.4791 8.152229 664.8814   41.98057 664.8814   41.98057 ?          ?        257.4791 8.152229 ?        ?        ?         ?        
1 1 1 18 36 6  o 129.9264 9.387665 169.6242   24.39412 169.6242   24.39412 ?          ?        129.9264 9.387665 ?        ?        ?         ?        
1 1 1 18 36 7  o 132.0244 9.023636 175.2972   23.82681 175.2972   23.82681 ?          ?        132.0244 9.023636 ?        ?        ?         ?        
1 1 1 18 36 8  o 230.0500 7.274723 531.5648   33.47099 531.5648   33.47099 ?          ?        230.0500 7.274723 ?        ?        ?         ?        
1 1 1 18 36 9  o 136.5621 9.139215 188.3452   24.96142 188.3452   24.96142 ?          ?        136.5621 9.139215 ?        ?        ?         ?        
1 1 1 18 36 10 o 106.5488 10.11630 115.1629   21.55759 115.1629   21.55759 ?          ?        106.5488 10.11630 ?        ?        ?         ?        
1 1 1 18 36 11 o 132.3602 10.07226 178.1338   26.66333 178.1338   26.66333 ?          ?        132.3602 10.07226 ?        ?        ?         ?        
1 1 1 18 36 12 o 145.9178 8.164461 216.1432   23.82681 216.1432   23.82681 ?          ?        145.9178 8.164461 ?        ?        ?         ?        
1 1 1 18 36 13 o 171.9437 7.423569 300.1043   25.52872 300.1043   25.52872 ?          ?        171.9437 7.423569 ?        ?        ?         ?        
1 1 1 18 36 14 o 105.5707 10.21002 115.1629   21.55759 115.1629   21.55759 ?          ?        105.5707 10.21002 ?        ?        ?         ?        
1 1 1 18 37 0  o 208.6133 12.18805 440.7959   50.49014 440.7959   50.49014 440.7959   50.49014 208.6133 12.18805 208.6133 12.18805 -0.000000 0.000000 
1 1 1 18 37 1  o 136.5857 9.760663 187.2106   26.66333 187.2106   26.66333 ?          ?        136.5857 9.760663 ?        ?        ?         ?        
1 1 1 18 37 2  o 355.6987 8.851713 1269.061   62.97085 1269.061   62.97085 ?          ?        355.6987 8.851713 ?        ?        ?         ?        
1 1 1 18 37 3  o 147.5209 9.037136 218.4124   26.66333 218.4124   26.66333 ?          ?        147.5209 9.037136 ?        ?        ?         ?        
1 1 1 18 37 4  o 385.7489 10.88287 1495.983   83.96114 1495.983   83.96114 ?          ?        385.7489 10.88287 ?        ?        ?         ?        
1 1 1 18 37 5  o 226.0098 7.530269 512.2764   34.03830 512.2764   34.03830 ?          ?        226.0098 7.530269 ?        ?        ?         ?        
1 1 1 18 37 6  o 207.0300 7.398558 430.0172   30.63447 430.0172   30.63447 ?          ?        207.0300 7.398558 ?        ?        ?         ?        
1 1 1 18 37 7  o 250.2508 7.367575 628.5739   36.87482 628.5739   36.87482 ?          ?        250.2508 7.367575 ?        ?        ?         ?        
1 1 1 18 37 8  o 242.8585 7.591832 592.8337   36.87482 592.8337   36.87482 ?          ?        242.8585 7.591832 ?        ?        ?         ?        
1 1 1 18 37 9  o 40.66313 16.36537 8.509575   20.42298 8.509575   20.42298 ?          ?        40.66313 16.36537 ?        ?        ?         ?        
1 1 1 18 37 10 o 34.87978 15.39283 -5.105744  20.99029 -5.105744  20.99029 ?          ?        34.87978 15.39283 ?        ?        ?         ?        
1 1 1 18 37 11 o 163.3907 7.464962 269.4698   24.39412 269.4698   24.39412 ?          ?        163.3907 7.464962 ?        ?        ?         ?        
1 1 1 18 37 12 o 199.9133 7.236273 404.4884   28.93255 404.4884   28.93255 ?          ?        199.9133 7.236273 ?        ?        ?         ?        
1 1 1 18 37 13 o 174.1678 7.491633 308.0466   26.09603 308.0466   26.09603 ?          ?        174.1678 7.491633 ?        ?        ?         ?        
1 1 1 18 37 14 o 30.49299 14.62056 -31.20177  25.52872 -31.20177  25.52872 ?          ?        30.49299 14.62056 ?        ?        ?         ?        
1 1 1 18 38 0  o 402.7140 15.97290 1637.810   128.2109 1637.810   128.2109 1637.810   128.2109 402.7140 15.97290 402.7140 15.97290 -0.000000 0.000000 
1 1 1 18 38 1  o 162.0135 8.228738 263.2295   26.66333 263.2295   26.66333 ?          ?        162.0135 8.228738 ?        ?        ?         ?        
1 1 1 18 38 2  o 275.8660 7.608871 763.0251   41.98057 763.0251   41.98057 ?          ?        275.8660 7.608871 ?        ?        ?         ?        
1 1 1 18 38 3  o 418.1380 9.972046 1756.376   83.39383 1756.376   83.39383 ?          ?        418.1380 9.972046 ?        ?        ?         ?        
1 1 1 18 38 4  o 122.1129 9.756057 149.7685   23.82681 149.7685   23.82681 ?          ?        122.1129 9.756057 ?        ?        ?         ?        
1 1 1 18 38 5  o 132.3196 9.003506 175.8645   23.82681 175.8645   23.82681 ?          ?        132.3196 9.003506 ?        ?        ?         ?        
1 1 1 18 38 6  o 144.7013 8.625155 210.4701   24.96142 210.4701   24.96142 ?          ?        144.7013 8.625155 ?        ?        ?         ?        
1 1 1 18 38 7  o 397.6643 9.700830 1592.425   77.15348 1592.425   77.15348 ?          ?        397.6643 9.700830 ?        ?        ?         ?        
1 1 1 18 38 8  o 259.6491 7.647119 677.9294   39.71135 677.9294   39.71135 ?          ?        259.6491 7.647119 ?        ?        ?         ?        
1 1 1 18 38 9  o 58.70983 17.52304 36.30752   22.12490 36.30752   22.12490 ?          ?        58.70983 17.52304 ?        ?        ?         ?        
1 1 1 18 38 10 o 115.7769 8.574970 135.5859   19.85567 135.5859   19.85567 ?          ?        115.7769 8.574970 ?        ?        ?         ?        
1 1 1 18 38 11 o 97.52270 10.47089 97.00916   20.42298 97.00916   20.42298 ?          ?        97.52270 10.47089 ?        ?        ?         ?        
1 1 1 18 38 12 o 173.0688 7.539205 304.0754   26.09603 304.0754   26.09603 ?          ?        173.0688 7.539205 ?        ?        ?         ?        
1 1 1 18 38 13 o 128.7679 9.472122 170.1915   24.39412 170.1915   24.39412 ?          ?        128.7679 9.472122 ?        ?        ?         ?        
1 1 1 18 38 14 o 55.55134 16.60414 34.60560   19.85567 34.60560   19.85567 ?          ?        55.55134 16.60414 ?        ?        ?         ?        
1 1 1 18 39 0  o 50.39499 25.89513 38.00943   32.90369 38.00943   32.90369 38.00943   32.90369 50.39499 25.89513 50.39499 25.89513 -0.000000 0.000000 
1 1 1 18 39 1  o 61.90015 18.89329 39.14404   25.52872 39.14404   25.52872 ?          ?        61.90015 18.89329 ?        ?        ?         ?        
1 1 1 18 39 2  o 239.2970 7.586288 574.1126   36.30752 574.1126   36.30752 ?          ?        239.2970 7.586288 ?        ?        ?         ?        
1 1 1 18 39 3  o 240.5774 7.781723 580.3530   37.44213 580.3530   37.44213 ?          ?        240.5774 7.781723 ?        ?        ?         ?        
1 1 1 18 39 4  f 331.8588 8.547385 1105.677   56.73050 1105.677   56.73050 ?          ?        331.8588 8.547385 ?        ?        ?         ?        
1 1 1 18 39 5  o 319.3933 8.348119 1024.553   53.32666 1024.553   53.32666 ?          ?        319.3933 8.348119 ?        ?        ?         ?        
1 1 1 18 39 6  o 333.4969 8.420347 1117.591   56.16319 1117.591   56.16319 ?          ?        333.4969 8.420347 ?        ?        ?         ?        
1 1 1 18 39 7  o 137.5537 9.073337 190.6145   24.96142 190.6145   24.96142 ?          ?        137.5537 9.073337 ?        ?        ?         ?        
1 1 1 18 39 8  o 272.3651 9.477123 749.9771   51.62476 749.9771   51.62476 ?          ?        272.3651 9.477123 ?        ?        ?         ?        
1 1 1 18 39 9  o 188.4038 7.828890 357.9694   29.49986 357.9694   29.49986 ?          ?        188.4038 7.828890 ?        ?        ?         ?        
1 1 1 18 39 10 o 140.8429 8.660046 200.8260   24.39412 200.8260   24.39412 ?          ?        140.8429 8.660046 ?        ?        ?         ?        
1 1 1 18 39 11 o 69.30930 15.15051 52.19205   20.42298 52.19205   20.42298 ?          ?        69.30930 15.15051 ?        ?        ?         ?        
1 1 1 18 39 12 o 134.4293 10.97226 186.0760   29.49986 186.0760   29.49986 ?          ?        134.4293 10.97226 ?        ?        ?         ?        
1 1 1 18 39 13 o 168.4978 7.743731 289.3255   26.09603 289.3255   26.09603 ?          ?        168.4978 7.743731 ?        ?        ?         ?        
1 1 1 18 40 0  o 277.2038 11.29653 774.3713   62.40355 774.3713   62.40355 774.3713   62.40355 277.2038 11.29653 277.2038 11.29653 -0.000000 0.000000 
1 1 1 18 40 1  o 66.14677 17.36191 45.95170   23.25950 45.95170   23.25950 ?          ?        66.14677 17.36191 ?        ?        ?         ?        
1 1 1 18 40 2  o 166.0800 8.881221 276.8448   29.49986 276.8448   29.49986 ?          ?        166.0800 8.881221 ?        ?        ?         ?        
1 1 1 18 40 3  o 189.0400 7.802544 358.5367   29.49986 358.5367   29.49986 ?          ?        189.0400 7.802544 ?        ?        ?         ?        
1 1 1 18 40 4  f 105.8667 11.25321 112.8937   23.82681 112.8937   23.82681 ?          ?        105.8667 11.25321 ?        ?        ?         ?        
1 1 1 18 40 5  o 251.9192 7.431377 637.0835   37.44213 637.0835   37.44213 ?          ?        251.9192 7.431377 ?        ?        ?         ?        
1 1 1 18 40 6  o 71.61567 17.21785 54.46128   24.39412 54.46128   24.39412 ?          ?        71.61567 17.21785 ?        ?        ?         ?        
1 1 1 18 40 7  o 270.4542 8.180645 735.7945   44.24979 735.7945   44.24979 ?          ?        270.4542 8.180645 ?        ?        ?         ?        
1 1 1 18 40 8  o 42.10138 17.40405 6.240355   23.82681 6.240355   23.82681 ?          ?        42.10138 17.40405 ?        ?        ?         ?        
1 1 1 18 40 9  o 100.6760 11.26992 103.2495   22.69220 103.2495   22.69220 ?          ?        100.6760 11.26992 ?        ?        ?         ?        
1 1 1 18 40 10 o 57.81531 17.02211 35.74022   20.99029 35.74022   20.99029 ?          ?        57.81531 17.02211 ?        ?        ?         ?        
1 1 1 18 40 11 o 54.85552 16.93043 32.33638   20.42298 32.33638   20.42298 ?          ?        54.85552 16.93043 ?        ?        ?         ?        
1 1 1 18 40 12 o 94.62737 11.99029 93.03801   22.69220 93.03801   22.69220 ?          ?        94.62737 11.99029 ?        ?        ?         ?        
1 1 1 18 40 13 o 117.6855 9.400006 142.3935   22.12490 142.3935   22.12490 ?          ?        117.6855 9.400006 ?        ?        ?         ?        
1 1 1 18 41 0  o 26.53378 18.56122 -29.49986  34.60560 -29.49986  34.60560 -29.49986  34.60560 26.53378 18.56122 26.53378 18.56122 -0.000000 0.000000 
1 1 1 18 41 1  o 264.1351 8.054187 700.0543   42.54787 700.0543   42.54787 ?          ?        264.1351 8.054187 ?        ?        ?         ?        
1 1 1 18 41 2  o 194.9222 7.858129 381.2289   30.63447 381.2289   30.63447 ?          ?        194.9222 7.858129 ?        ?        ?         ?        
1 1 1 18 41 3  o 118.7351 10.27249 141.8262   24.39412 141.8262   24.39412 ?          ?        118.7351 10.27249 ?        ?        ?         ?        
1 1 1 18 41 4  o 257.0083 7.615327 663.1795   39.14404 663.1795   39.14404 ?          ?        257.0083 7.615327 ?        ?        ?         ?        
1 1 1 18 41 5  o 168.2122 8.094135 284.2198   27.23064 284.2198   27.23064 ?          ?        168.2122 8.094135 ?        ?        ?         ?        
1 1 1 18 41 6  f 113.4435 10.25158 129.9128   23.25950 129.9128   23.25950 ?          ?        113.4435 10.25158 ?        ?        ?         ?        
1 1 1 18 41 7  o 124.4118 10.03178 156.5762   24.96142 156.5762   24.96142 ?          ?        124.4118 10.03178 ?        ?        ?         ?        
1 1 1 18 41 8  o 67.49545 15.81030 48.78823   20.99029 48.78823   20.99029 ?          ?        67.49545 15.81030 ?        ?        ?         ?        
1 1 1 18 41 9  o 63.94103 17.00250 44.24979   22.12490 44.24979   22.12490 ?          ?        63.94103 17.00250 ?        ?        ?         ?        
1 1 1 18 41 10 o 144.0547 8.073153 209.9028   23.25950 209.9028   23.25950 ?          ?        144.0547 8.073153 ?        ?        ?         ?        
1 1 1 18 41 11 o 61.18602 17.59817 41.41326   22.69220 41.41326   22.69220 ?          ?        61.18602 17.59817 ?        ?        ?         ?        
1 1 1 18 41 12 o 175.8316 7.743385 314.2870   27.23064 314.2870   27.23064 ?          ?        175.8316 7.743385 ?        ?        ?         ?        
1 1 1 18 41 13 o 157.9348 9.878056 257.5565   31.20177 257.5565   31.20177 ?          ?        157.9348 9.878056 ?        ?        ?         ?        
1 1 1 18 42 0  o 277.8439 11.16699 778.3424   61.83624 778.3424   61.83624 778.3424   61.83624 277.8439 11.16699 277.8439 11.16699 -0.000000 0.000000 
1 1 1 18 42 1  o 231.6696 7.468742 538.3724   34.60560 538.3724   34.60560 ?          ?        231.6696 7.468742 ?        ?        ?         ?        
1 1 1 18 42 2  o 174.2237 7.814850 304.6428   27.23064 304.6428   27.23064 ?          ?        174.2237 7.814850 ?        ?        ?         ?        
1 1 1 18 42 3  o 342.9176 8.850760 1182.263   60.70163 1182.263   60.70163 ?          ?        342.9176 8.850760 ?        ?        ?         ?        
1 1 1 18 42 4  o 148.5433 8.783979 221.8162   26.09603 221.8162   26.09603 ?          ?        148.5433 8.783979 ?        ?        ?         ?        
1 1 1 18 42 5  o 52.69997 18.17034 26.09603   23.25950 26.09603   23.25950 ?          ?        52.69997 18.17034 ?        ?        ?         ?        
1 1 1 18 42 6  o 73.67661 17.23009 57.86510   24.96142 57.86510   24.96142 ?          ?        73.67661 17.23009 ?        ?        ?         ?        
1 1 1 18 42 7  f 68.32069 15.68437 49.92284   20.99029 49.92284   20.99029 ?          ?        68.32069 15.68437 ?        ?        ?         ?        
1 1 1 18 42 8  o 193.3343 7.335805 376.6905   28.36525 376.6905   28.36525 ?          ?        193.3343 7.335805 ?        ?        ?         ?        
1 1 1 18 42 9  o 129.3355 9.211242 169.6242   23.82681 169.6242   23.82681 ?          ?        129.3355 9.211242 ?        ?        ?         ?        
1 1 1 18 42 10 o 82.04720 15.43288 72.61504   24.39412 72.61504   24.39412 ?          ?        82.04720 15.43288 ?        ?        ?         ?        
1 1 1 18 42 11 o 155.9230 8.186321 247.3450   25.52872 247.3450   25.52872 ?          ?        155.9230 8.186321 ?        ?        ?         ?        
1 1 1 18 42 12 o 117.0555 10.17757 141.2589   23.82681 141.2589   23.82681 ?          ?        117.0555 10.17757 ?        ?        ?         ?        
1 1 1 18 42 13 o 151.2847 8.624809 234.8643   26.09603 234.8643   26.09603 ?          ?        151.2847 8.624809 ?        ?        ?         ?        
1 1 1 18 43 0  o 57.86158 27.79871 50.49014   36.87482 50.49014   36.87482 50.49014   36.87482 57.86158 27.79871 57.86158 27.79871 -0.000000 0.000000 
1 1 1 18 43 1  f 223.0954 7.882929 499.7957   35.17290 499.7957   35.17290 ?          ?        223.0954 7.882929 ?        ?        ?         ?        
1 1 1 18 43 2  o 74.97599 17.03004 59.56702   24.96142 59.56702   24.96142 ?          ?        74.97599 17.03004 ?        ?        ?         ?        
1 1 1 18 43 3  o 179.2334 9.812043 323.3638   35.17290 323.3638   35.17290 ?          ?        179.2334 9.812043 ?        ?        ?         ?        
1 1 1 18 43 4  o 164.9306 8.427164 273.4410   27.79794 273.4410   27.79794 ?          ?        164.9306 8.427164 ?        ?        ?         ?        
1 1 1 18 43 5  o 129.7282 9.402007 169.6242   24.39412 169.6242   24.39412 ?          ?        129.7282 9.402007 ?        ?        ?         ?        
1 1 1 18 43 6  o 87.90116 13.23049 78.85539   23.25950 78.85539   23.25950 ?          ?        87.90116 13.23049 ?        ?        ?         ?        
1 1 1 18 43 7  f 115.6872 10.29794 135.5859   23.82681 135.5859   23.82681 ?          ?        115.6872 10.29794 ?        ?        ?         ?        
1 1 1 18 43 8  o 77.99262 14.72176 64.67276   22.12490 64.67276   22.12490 ?          ?        77.99262 14.72176 ?        ?        ?         ?        
1 1 1 18 43 9  o 131.7590 8.826533 175.8645   23.25950 175.8645   23.25950 ?          ?        131.7590 8.826533 ?        ?        ?         ?        
1 1 1 18 43 10 o 89.31033 13.02173 82.82652   23.25950 82.82652   23.25950 ?          ?        89.31033 13.02173 ?        ?        ?         ?        
1 1 1 18 43 11 o 121.0299 9.374622 149.7685   22.69220 149.7685   22.69220 ?          ?        121.0299 9.374622 ?        ?        ?         ?        
1 1 1 18 43 12 o 177.8681 7.973677 322.7965   28.36525 322.7965   28.36525 ?          ?        177.8681 7.973677 ?        ?        ?         ?        
1 1 1 18 44 0  o 30.40121 20.65579 -15.31723  36.30752 -15.31723  36.30752 -15.31723  36.30752 30.40121 20.65579 30.40121 20.65579 -0.000000 0.000000 
1 1 1 18 44 1  o 48.46767 18.34205 17.58645   24.39412 17.58645   24.39412 ?          ?        48.46767 18.34205 ?        ?        ?         ?        
1 1 1 18 44 2  o 107.6334 11.33204 116.8648   24.39412 116.8648   24.39412 ?          ?        107.6334 11.33204 ?        ?        ?         ?        
1 1 1 18 44 3  o 449.9260 12.29363 2046.836   110.6245 2046.836   110.6245 ?          ?        449.9260 12.29363 ?        ?        ?         ?        
1 1 1 18 44 4  o 119.6348 10.90654 144.6628   26.09603 144.6628   26.09603 ?          ?        119.6348 10.90654 ?        ?        ?         ?        
1 1 1 18 44 5  o 137.4833 9.284301 190.6145   25.52872 190.6145   25.52872 ?          ?        137.4833 9.284301 ?        ?        ?         ?        
1 1 1 18 44 6  o 59.95353 17.71372 38.00943   22.69220 38.00943   22.69220 ?          ?        59.95353 17.71372 ?        ?        ?         ?        
1 1 1 18 44 7  o 85.08223 13.66884 74.31695   23.25950 74.31695   23.25950 ?          ?        85.08223 13.66884 ?        ?        ?         ?        
1 1 1 18 44 8  o 73.71491 15.49750 58.43241   22.12490 58.43241   22.12490 ?          ?        73.71491 15.49750 ?        ?        ?         ?        
1 1 1 18 44 9  o 170.7739 7.972717 294.9986   27.23064 294.9986   27.23064 ?          ?        170.7739 7.972717 ?        ?        ?         ?        
1 1 1 18 44 10 o 138.8912 9.190186 196.8548   25.52872 196.8548   25.52872 ?          ?        138.8912 9.190186 ?        ?        ?         ?        
1 1 1 18 44 11 o 264.5672 8.041035 712.5350   42.54787 712.5350   42.54787 ?          ?        264.5672 8.041035 ?        ?        ?         ?        
1 1 1 18 44 12 o 63.66789 17.35097 45.95170   22.69220 45.95170   22.69220 ?          ?        63.66789 17.35097 ?        ?        ?         ?        
1 1 1 18 45 0  o 104.9191 19.08236 120.8360   36.30752 120.8360   36.30752 120.8360   36.30752 104.9191 19.08236 104.9191 19.08236 -0.000000 0.000000 
1 1 1 18 45 1  o 260.9931 7.825102 684.1698   40.84595 684.1698   40.84595 ?          ?        260.9931 7.825102 ?        ?        ?         ?        
1 1 1 18 45 2  o 282.1442 8.344372 800.4673   47.08631 800.4673   47.08631 ?          ?        282.1442 8.344372 ?        ?        ?         ?        
1 1 1 18 45 3  o 88.28963 14.45737 79.42269   25.52872 79.42269   25.52872 ?          ?        88.28963 14.45737 ?        ?        ?         ?        
1 1 1 18 45 4  o 228.0002 7.464534 522.4879   34.03830 522.4879   34.03830 ?          ?        228.0002 7.464534 ?        ?        ?         ?        
1 1 1 18 45 5  o 174.9586 8.106274 308.6139   28.36525 308.6139   28.36525 ?          ?        174.9586 8.106274 ?        ?        ?         ?        
1 1 1 18 45 6  o 165.9989 8.372929 277.9794   27.79794 277.9794   27.79794 ?          ?        165.9989 8.372929 ?        ?        ?         ?        
1 1 1 18 45 7  o 51.15332 18.89080 22.69220   25.52872 22.69220   25.52872 ?          ?        51.15332 18.89080 ?        ?        ?         ?        
1 1 1 18 45 8  o 98.66755 10.92436 99.27837   21.55759 99.27837   21.55759 ?          ?        98.66755 10.92436 ?        ?        ?         ?        
1 1 1 18 45 9  f 65.06089 16.52873 46.51900   21.55759 46.51900   21.55759 ?          ?        65.06089 16.52873 ?        ?        ?         ?        
1 1 1 18 45 10 o 66.35802 17.94795 49.35553   24.39412 49.35553   24.39412 ?          ?        66.35802 17.94795 ?        ?        ?         ?        
1 1 1 18 45 11 f 234.7305 7.733874 560.4974   36.30752 560.4974   36.30752 ?          ?        234.7305 7.733874 ?        ?        ?         ?        
1 1 1 18 45 12 o 91.11330 13.07537 87.93227   23.82681 87.93227   23.82681 ?          ?        91.11330 13.07537 ?        ?        ?         ?        
1 1 1 18 46 0  o 72.16942 25.55261 69.77851   33.47099 69.77851   33.47099 69.77851   33.47099 72.16942 25.55261 72.16942 25.55261 -0.000000 0.000000 
1 1 1 18 46 1  o 173.8358 8.321807 304.0754   28.93255 304.0754   28.93255 ?          ?        173.8358 8.321807 ?        ?        ?         ?        
1 1 1 18 46 2  o 287.2956 7.898554 829.9672   45.38440 829.9672   45.38440 ?          ?        287.2956 7.898554 ?        ?        ?         ?        
1 1 1 18 46 3  o 105.0639 11.60918 111.7591   24.39412 111.7591   24.39412 ?          ?        105.0639 11.60918 ?        ?        ?         ?        
1 1 1 18 46 4  o 30.70873 14.52316 -27.23064  23.82681 -27.23064  23.82681 ?          ?        30.70873 14.52316 ?        ?        ?         ?        
1 1 1 18 46 5  o 296.8411 8.217903 888.3995   48.78823 888.3995   48.78823 ?          ?        296.8411 8.217903 ?        ?        ?         ?        
1 1 1 18 46 6  o 69.93369 16.47585 52.75936   22.69220 52.75936   22.69220 ?          ?        69.93369 16.47585 ?        ?        ?         ?        
1 1 1 18 46 7  o 297.9741 8.377045 898.0438   49.92284 898.0438   49.92284 ?          ?        297.9741 8.377045 ?        ?        ?         ?        
1 1 1 18 46 8  o 46.10522 18.52258 12.48071   26.09603 12.48071   26.09603 ?          ?        46.10522 18.52258 ?        ?        ?         ?        
1 1 1 18 46 9  o 88.21143 12.54083 80.55730   22.12490 80.55730   22.12490 ?          ?        88.21143 12.54083 ?        ?        ?         ?        
1 1 1 18 46 10 o 50.02900 18.46811 23.25950   24.39412 23.25950   24.39412 ?          ?        50.02900 18.46811 ?        ?        ?         ?        
1 1 1 18 46 11 o 142.0874 8.983456 207.0663   25.52872 207.0663   25.52872 ?          ?        142.0874 8.983456 ?        ?        ?         ?        
1 1 1 18 46 12 o 173.1678 7.534894 305.7773   26.09603 305.7773   26.09603 ?          ?        173.1678 7.534894 ?        ?        ?         ?        
1 1 1 18 47 0  o 24.77990 17.57136 -35.17290  33.47099 -35.17290  33.47099 -35.17290  33.47099 24.77990 17.57136 24.77990 17.57136 -0.000000 0.000000 
1 1 1 18 47 1  o 206.9515 7.675488 430.5845   31.76908 430.5845   31.76908 ?          ?        206.9515 7.675488 ?        ?        ?         ?        
1 1 1 18 47 2  o 300.9673 8.293733 912.2264   49.92284 912.2264   49.92284 ?          ?        300.9673 8.293733 ?        ?        ?         ?        
1 1 1 18 47 3  o 89.36282 13.64892 81.69191   24.39412 81.69191   24.39412 ?          ?        89.36282 13.64892 ?        ?        ?         ?        
1 1 1 18 47 4  o 192.7008 8.243109 374.4213   31.76908 374.4213   31.76908 ?          ?        192.7008 8.243109 ?        ?        ?         ?        
1 1 1 18 47 5  o 165.3187 8.922120 276.2775   29.49986 276.2775   29.49986 ?          ?        165.3187 8.922120 ?        ?        ?         ?        
1 1 1 18 47 6  o 192.5319 7.513702 373.8540   28.93255 373.8540   28.93255 ?          ?        192.5319 7.513702 ?        ?        ?         ?        
1 1 1 18 47 7  o 180.2306 7.554389 327.9023   27.23064 327.9023   27.23064 ?          ?        180.2306 7.554389 ?        ?        ?         ?        
1 1 1 18 47 8  o 231.4649 7.720438 542.3435   35.74022 542.3435   35.74022 ?          ?        231.4649 7.720438 ?        ?        ?         ?        
1 1 1 18 47 9  o 107.8479 10.52046 119.7014   22.69220 119.7014   22.69220 ?          ?        107.8479 10.52046 ?        ?        ?         ?        
1 1 1 18 47 10 o 165.3681 7.718757 277.9794   25.52872 277.9794   25.52872 ?          ?        165.3681 7.718757 ?        ?        ?         ?        
1 1 1 18 47 11 o 72.55944 19.78717 61.26894   29.49986 61.26894   29.49986 ?          ?        72.55944 19.78717 ?        ?        ?         ?        
1 1 1 18 48 0  o 171.6982 11.67383 301.2389   39.71135 301.2389   39.71135 301.2389   39.71135 171.6982 11.67383 171.6982 11.67383 -0.000000 0.000000 
1 1 1 18 48 1  o 124.0275 10.74896 156.0089   26.66333 156.0089   26.66333 ?          ?        124.0275 10.74896 ?        ?        ?         ?        
1 1 1 18 48 2  o 290.9810 8.188440 853.7939   47.65361 853.7939   47.65361 ?          ?        290.9810 8.188440 ?        ?        ?         ?        
1 1 1 18 48 3  o 342.8427 8.687224 1186.235   59.56702 1186.235   59.56702 ?          ?        342.8427 8.687224 ?        ?        ?         ?        
1 1 1 18 48 4  o 89.49995 14.26186 82.25922   25.52872 82.25922   25.52872 ?          ?        89.49995 14.26186 ?        ?        ?         ?        
1 1 1 18 48 5  o 317.0175 8.410681 1015.476   53.32666 1015.476   53.32666 ?          ?        317.0175 8.410681 ?        ?        ?         ?        
1 1 1 18 48 6  o 153.9604 8.659154 239.9700   26.66333 239.9700   26.66333 ?          ?        153.9604 8.659154 ?        ?        ?         ?        
1 1 1 18 48 7  o 41.06838 16.84425 7.374964   22.12490 7.374964   22.12490 ?          ?        41.06838 16.84425 ?        ?        ?         ?        
1 1 1 18 48 8  o 104.8756 10.81863 112.8937   22.69220 112.8937   22.69220 ?          ?        104.8756 10.81863 ?        ?        ?         ?        
1 1 1 18 48 9  o 66.15514 17.66851 48.78823   23.82681 48.78823   23.82681 ?          ?        66.15514 17.66851 ?        ?        ?         ?        
1 1 1 18 48 10 f 93.34969 11.85055 90.76879   22.12490 90.76879   22.12490 ?          ?        93.34969 11.85055 ?        ?        ?         ?        
1 1 1 18 48 11 o 164.7905 9.639232 280.2487   31.76908 280.2487   31.76908 ?          ?        164.7905 9.639232 ?        ?        ?         ?        
1 1 1 18 49 0  o 150.2303 12.63383 232.5950   37.44213 232.5950   37.44213 232.5950   37.44213 150.2303 12.63383 150.2303 12.63383 -0.000000 0.000000 
1 1 1 18 49 1  o 63.85157 17.32870 43.68248   22.69220 43.68248   22.69220 ?          ?        63.85157 17.32870 ?        ?        ?         ?        
1 1 1 18 49 2  o 126.0683 10.57496 161.1146   26.66333 161.1146   26.66333 ?          ?        126.0683 10.57496 ?        ?        ?         ?        
1 1 1 18 49 3  o 107.8273 12.10085 118.5667   26.09603 118.5667   26.09603 ?          ?        107.8273 12.10085 ?        ?        ?         ?        
1 1 1 18 49 4  o 120.5033 10.35715 147.4993   24.96142 147.4993   24.96142 ?          ?        120.5033 10.35715 ?        ?        ?         ?        
1 1 1 18 49 5  o 141.3435 9.231420 202.5279   26.09603 202.5279   26.09603 ?          ?        141.3435 9.231420 ?        ?        ?         ?        
1 1 1 18 49 6  o 232.2359 8.061226 545.1801   37.44213 545.1801   37.44213 ?          ?        232.2359 8.061226 ?        ?        ?         ?        
1 1 1 18 49 7  o 126.3233 11.45179 163.9511   28.93255 163.9511   28.93255 ?          ?        126.3233 11.45179 ?        ?        ?         ?        
1 1 1 18 49 8  o 83.03215 13.32309 72.04772   22.12490 72.04772   22.12490 ?          ?        83.03215 13.32309 ?        ?        ?         ?        
1 1 1 18 49 9  o 191.4307 7.853278 372.7193   30.06716 372.7193   30.06716 ?          ?        191.4307 7.853278 ?        ?        ?         ?        
1 1 1 18 49 10 o 67.08694 17.24351 51.05745   23.25950 51.05745   23.25950 ?          ?        67.08694 17.24351 ?        ?        ?         ?        
1 1 1 18 49 11 o 143.8316 9.466155 213.3067   27.23064 213.3067   27.23064 ?          ?        143.8316 9.466155 ?        ?        ?         ?        
1 1 1 18 50 0  o 80.52882 23.91955 81.69191   33.47099 81.69191   33.47099 81.69191   33.47099 80.52882 23.91955 80.52882 23.91955 -0.000000 0.000000 
1 1 1 18 50 1  f 194.2340 7.447859 380.0943   28.93255 380.0943   28.93255 ?          ?        194.2340 7.447859 ?        ?        ?         ?        
1 1 1 18 50 2  o 220.9595 7.188891 491.8534   31.76908 491.8534   31.76908 ?          ?        220.9595 7.188891 ?        ?        ?         ?        
1 1 1 18 50 3  f 314.3579 8.391607 998.4568   52.75936 998.4568   52.75936 ?          ?        314.3579 8.391607 ?        ?        ?         ?        
1 1 1 18 50 4  o 136.7881 8.916754 189.4799   24.39412 189.4799   24.39412 ?          ?        136.7881 8.916754 ?        ?        ?         ?        
1 1 1 18 50 5  o 256.5838 7.738475 664.8814   39.71135 664.8814   39.71135 ?          ?        256.5838 7.738475 ?        ?        ?         ?        
1 1 1 18 50 6  o 38.86849 16.98103 -2.836525  24.96142 -2.836525  24.96142 ?          ?        38.86849 16.98103 ?        ?        ?         ?        
1 1 1 18 50 7  o 28.15673 13.78342 -47.65361  26.09603 -47.65361  26.09603 ?          ?        28.15673 13.78342 ?        ?        ?         ?        
1 1 1 18 50 8  o 55.06694 17.95891 32.33638   22.69220 32.33638   22.69220 ?          ?        55.06694 17.95891 ?        ?        ?         ?        
1 1 1 18 50 9  o 111.6958 11.42779 129.3455   25.52872 129.3455   25.52872 ?          ?        111.6958 11.42779 ?        ?        ?         ?        
1 1 1 18 50 10 o 153.8145 9.036192 242.8065   27.79794 242.8065   27.79794 ?          ?        153.8145 9.036192 ?        ?        ?         ?        
1 1 1 18 51 0  o 27.00487 18.83993 -27.23064  35.17290 -27.23064  35.17290 -27.23064  35.17290 27.00487 18.83993 27.00487 18.83993 -0.000000 0.000000 
1 1 1 18 51 1  o 235.1182 7.721121 557.6608   36.30752 557.6608   36.30752 ?          ?        235.1182 7.721121 ?        ?        ?         ?        
1 1 1 18 51 2  o 235.9045 7.815625 561.6319   36.87482 561.6319   36.87482 ?          ?        235.9045 7.815625 ?        ?        ?         ?        
1 1 1 18 51 3  o 117.7177 12.04800 141.8262   28.36525 141.8262   28.36525 ?          ?        117.7177 12.04800 ?        ?        ?         ?        
1 1 1 18 51 4  o 130.3390 9.575579 172.4607   24.96142 172.4607   24.96142 ?          ?        130.3390 9.575579 ?        ?        ?         ?        
1 1 1 18 51 5  o 210.6087 8.619664 449.3055   36.30752 449.3055   36.30752 ?          ?        210.6087 8.619664 ?        ?        ?         ?        
1 1 1 18 51 6  o 49.62863 18.60917 21.55759   24.96142 21.55759   24.96142 ?          ?        49.62863 18.60917 ?        ?        ?         ?        
1 1 1 18 51 7  o 173.3556 8.181231 305.7773   28.36525 305.7773   28.36525 ?          ?        173.3556 8.181231 ?        ?        ?         ?        
1 1 1 18 51 8  o 107.8749 11.04373 120.2687   23.82681 120.2687   23.82681 ?          ?        107.8749 11.04373 ?        ?        ?         ?        
1 1 1 18 51 9  o 115.7306 10.29408 138.4224   23.82681 138.4224   23.82681 ?          ?        115.7306 10.29408 ?        ?        ?         ?        
1 1 1 18 51 10 o 78.01205 15.82279 68.07660   23.82681 68.07660   23.82681 ?          ?        78.01205 15.82279 ?        ?        ?         ?        
1 1 1 18 52 0  o 271.5922 11.53337 749.4099   62.40355 749.4099   62.40355 749.4099   62.40355 271.5922 11.53337 271.5922 11.53337 -0.000000 0.000000 
1 1 1 18 52 1  o 225.4538 8.303727 513.9783   37.44213 513.9783   37.44213 ?          ?        225.4538 8.303727 ?        ?        ?         ?        
1 1 1 18 52 2  o 155.6240 9.295661 245.6430   28.93255 245.6430   28.93255 ?          ?        155.6240 9.295661 ?        ?        ?         ?        
1 1 1 18 52 3  o 158.8238 9.286978 255.8545   29.49986 255.8545   29.49986 ?          ?        158.8238 9.286978 ?        ?        ?         ?        
1 1 1 18 52 4  o 182.4626 8.394725 336.9791   30.63447 336.9791   30.63447 ?          ?        182.4626 8.394725 ?        ?        ?         ?        
1 1 1 18 52 5  o 75.97035 16.16488 62.97085   23.82681 62.97085   23.82681 ?          ?        75.97035 16.16488 ?        ?        ?         ?        
1 1 1 18 52 6  o 206.9289 7.676326 433.9883   31.76908 433.9883   31.76908 ?          ?        206.9289 7.676326 ?        ?        ?         ?        
1 1 1 18 52 7  o 251.3797 8.124353 642.1892   40.84595 642.1892   40.84595 ?          ?        251.3797 8.124353 ?        ?        ?         ?        
1 1 1 18 52 8  o 38.30931 16.66386 -0.5673050 23.82681 -0.5673050 23.82681 ?          ?        38.30931 16.66386 ?        ?        ?         ?        
1 1 1 18 52 9  o 88.08813 12.88040 81.69191   22.69220 81.69191   22.69220 ?          ?        88.08813 12.88040 ?        ?        ?         ?        
1 1 1 18 53 0  o 202.8752 10.97328 419.2384   44.24979 419.2384   44.24979 419.2384   44.24979 202.8752 10.97328 202.8752 10.97328 -0.000000 0.000000 
1 1 1 18 53 1  o 112.2840 11.36793 128.7782   25.52872 128.7782   25.52872 ?          ?        112.2840 11.36793 ?        ?        ?         ?        
1 1 1 18 53 2  o 76.20659 18.10929 63.53815   27.23064 63.53815   27.23064 ?          ?        76.20659 18.10929 ?        ?        ?         ?        
1 1 1 18 53 3  o 107.0910 11.65431 117.4321   24.96142 117.4321   24.96142 ?          ?        107.0910 11.65431 ?        ?        ?         ?        
1 1 1 18 53 4  o 177.8572 7.974162 320.5273   28.36525 320.5273   28.36525 ?          ?        177.8572 7.974162 ?        ?        ?         ?        
1 1 1 18 53 5  o 196.6585 7.788748 392.0077   30.63447 392.0077   30.63447 ?          ?        196.6585 7.788748 ?        ?        ?         ?        
1 1 1 18 53 6  o 140.9349 9.258184 203.0952   26.09603 203.0952   26.09603 ?          ?        140.9349 9.258184 ?        ?        ?         ?        
1 1 1 18 53 7  o 180.4399 8.331627 331.8734   30.06716 331.8734   30.06716 ?          ?        180.4399 8.331627 ?        ?        ?         ?        
1 1 1 18 53 8  o 121.9932 10.23066 153.7396   24.96142 153.7396   24.96142 ?          ?        121.9932 10.23066 ?        ?        ?         ?        
1 1 1 18 53 9  o 49.53581 18.05993 24.39412   23.25950 24.39412   23.25950 ?          ?        49.53581 18.05993 ?        ?        ?         ?        
1 1 1 18 54 0  o 190.9080 10.76959 371.5847   40.84595 371.5847   40.84595 371.5847   40.84595 190.9080 10.76959 190.9080 10.76959 -0.000000 0.000000 
1 1 1 18 54 1  o 220.9569 7.830849 493.5553   34.60560 493.5553   34.60560 ?          ?        220.9569 7.830849 ?        ?        ?         ?        
1 1 1 18 54 2  o 176.8868 7.857553 316.5562   27.79794 316.5562   27.79794 ?          ?        176.8868 7.857553 ?        ?        ?         ?        
1 1 1 18 54 3  o 30.21743 14.44104 -30.06716  24.39412 -30.06716  24.39412 ?          ?        30.21743 14.44104 ?        ?        ?         ?        
1 1 1 18 54 4  o 143.4973 9.290533 209.9028   26.66333 209.9028   26.66333 ?          ?        143.4973 9.290533 ?        ?        ?         ?        
1 1 1 18 54 5  o 131.3059 10.58519 177.5665   27.79794 177.5665   27.79794 ?          ?        131.3059 10.58519 ?        ?        ?         ?        
1 1 1 18 54 6  o 36.67141 16.10452 -2.836525  22.69220 -2.836525  22.69220 ?          ?        36.67141 16.10452 ?        ?        ?         ?        
1 1 1 18 54 7  o 30.66271 14.72131 -33.47099  26.09603 -33.47099  26.09603 ?          ?        30.66271 14.72131 ?        ?        ?         ?        
1 1 1 18 54 8  o 35.58884 15.90873 -6.240355  23.25950 -6.240355  23.25950 ?          ?        35.58884 15.90873 ?        ?        ?         ?        
1 1 1 18 54 9  o 52.68161 18.75772 28.93255   24.96142 28.93255   24.96142 ?          ?        52.68161 18.75772 ?        ?        ?         ?        
1 1 1 18 55 0  o 28.87758 19.83568 -17.01915  35.17290 -17.01915  35.17290 -17.01915  35.17290 28.87758 19.83568 28.87758 19.83568 -0.000000 0.000000 
1 1 1 18 55 1  o 242.3184 8.076985 595.6702   39.14404 595.6702   39.14404 ?          ?        242.3184 8.076985 ?        ?        ?         ?        
1 1 1 18 55 2  o 194.9820 8.437621 386.3347   32.90369 386.3347   32.90369 ?          ?        194.9820 8.437621 ?        ?        ?         ?        
1 1 1 18 55 3  o 76.46924 17.44274 64.67276   26.09603 64.67276   26.09603 ?          ?        76.46924 17.44274 ?        ?        ?         ?        
1 1 1 18 55 4  o 106.9563 10.87337 117.9994   23.25950 117.9994   23.25950 ?          ?        106.9563 10.87337 ?        ?        ?         ?        
1 1 1 18 55 5  o 186.0312 8.081218 351.7291   30.06716 351.7291   30.06716 ?          ?        186.0312 8.081218 ?        ?        ?         ?        
1 1 1 18 55 6  o 101.4485 11.46370 106.6533   23.25950 106.6533   23.25950 ?          ?        101.4485 11.46370 ?        ?        ?         ?        
1 1 1 18 55 7  o 75.03049 17.02152 63.53815   24.96142 63.53815   24.96142 ?          ?        75.03049 17.02152 ?        ?        ?         ?        
1 1 1 18 55 8  o 70.85371 18.87257 58.43241   27.23064 58.43241   27.23064 ?          ?        70.85371 18.87257 ?        ?        ?         ?        
1 1 1 18 56 0  f 88.01659 23.17987 95.30723   35.17290 95.30723   35.17290 95.30723   35.17290 88.01659 23.17987 88.01659 23.17987 -0.000000 0.000000 
1 1 1 18 56 1  o 141.8172 9.600615 205.3644   27.23064 205.3644   27.23064 ?          ?        141.8172 9.600615 ?        ?        ?         ?        
1 1 1 18 56 2  o 238.2664 8.095296 576.9491   38.57674 576.9491   38.57674 ?          ?        238.2664 8.095296 ?        ?        ?         ?        
1 1 1 18 56 3  f 43.39394 17.33916 12.48071   22.69220 12.48071   22.69220 ?          ?        43.39394 17.33916 ?        ?        ?         ?        
1 1 1 18 56 4  o 161.1616 8.448243 264.3641   27.23064 264.3641   27.23064 ?          ?        161.1616 8.448243 ?        ?        ?         ?        
1 1 1 18 56 5  o 139.0946 9.176751 197.9895   25.52872 197.9895   25.52872 ?          ?        139.0946 9.176751 ?        ?        ?         ?        
1 1 1 18 56 6  o 170.7858 8.968683 298.9697   30.63447 298.9697   30.63447 ?          ?        170.7858 8.968683 ?        ?        ?         ?        
1 1 1 18 56 7  o 94.53609 12.90201 94.17262   24.39412 94.17262   24.39412 ?          ?        94.53609 12.90201 ?        ?        ?         ?        
1 1 1 18 56 8  o 109.9662 11.60753 126.5090   25.52872 126.5090   25.52872 ?          ?        109.9662 11.60753 ?        ?        ?         ?        
1 1 1 18 57 0  o 173.5423 12.55371 312.0177   43.11518 312.0177   43.11518 312.0177   43.11518 173.5423 12.55371 173.5423 12.55371 -0.000000 0.000000 
1 1 1 18 57 1  o 159.0900 8.736547 258.1238   27.79794 258.1238   27.79794 ?          ?        159.0900 8.736547 ?        ?        ?         ?        
1 1 1 18 57 2  f 86.47166 13.77723 78.28809   23.82681 78.28809   23.82681 ?          ?        86.47166 13.77723 ?        ?        ?         ?        
1 1 1 18 57 3  o 32.30929 15.15918 -22.69220  24.96142 -22.69220  24.96142 ?          ?        32.30929 15.15918 ?        ?        ?         ?        
1 1 1 18 57 4  o 203.8895 8.068999 423.2095   32.90369 423.2095   32.90369 ?          ?        203.8895 8.068999 ?        ?        ?         ?        
1 1 1 18 57 5  o 179.9108 9.144444 331.8734   32.90369 331.8734   32.90369 ?          ?        179.9108 9.144444 ?        ?        ?         ?        
1 1 1 18 57 6  o 157.2774 8.476531 253.0180   26.66333 253.0180   26.66333 ?          ?        157.2774 8.476531 ?        ?        ?         ?        
1 1 1 18 57 7  o 110.5667 12.31412 128.7782   27.23064 128.7782   27.23064 ?          ?        110.5667 12.31412 ?        ?        ?         ?        
1 1 1 18 58 0  f 38.69772 23.65267 17.58645   34.03830 17.58645   34.03830 17.58645   34.03830 38.69772 23.65267 38.69772 23.65267 -0.000000 0.000000 
1 1 1 18 58 1  o 69.21355 17.90231 53.89397   24.96142 53.89397   24.96142 ?          ?        69.21355 17.90231 ?        ?        ?         ?        
1 1 1 18 58 2  o 150.7394 9.220530 232.5950   27.79794 232.5950   27.79794 ?          ?        150.7394 9.220530 ?        ?        ?         ?        
1 1 1 18 58 3  o 148.2805 10.32990 226.3547   30.63447 226.3547   30.63447 ?          ?        148.2805 10.32990 ?        ?        ?         ?        
1 1 1 18 58 4  o 133.1313 11.50536 184.3741   30.63447 184.3741   30.63447 ?          ?        133.1313 11.50536 ?        ?        ?         ?        
1 1 1 18 58 5  o 161.4677 8.432224 266.6333   27.23064 266.6333   27.23064 ?          ?        161.4677 8.432224 ?        ?        ?         ?        
1 1 1 18 58 6  o 86.45055 16.67235 83.96114   27.79794 83.96114   27.79794 ?          ?        86.45055 16.67235 ?        ?        ?         ?        
1 1 1 18 59 0  o 62.38594 29.33530 62.97085   40.84595 62.97085   40.84595 62.97085   40.84595 62.38594 29.33530 62.38594 29.33530 -0.000000 0.000000 
1 1 1 18 59 1  o 166.9497 8.834956 284.7871   29.49986 284.7871   29.49986 ?          ?        166.9497 8.834956 ?        ?        ?         ?        
1 1 1 18 59 2  o 55.62681 19.04829 32.90369   25.52872 32.90369   25.52872 ?          ?        55.62681 19.04829 ?        ?        ?         ?        
1 1 1 18 59 3  o 59.48058 18.78787 39.71135   24.96142 39.71135   24.96142 ?          ?        59.48058 18.78787 ?        ?        ?         ?        
1 1 1 18 59 4  o 71.59640 16.89247 57.86510   23.82681 57.86510   23.82681 ?          ?        71.59640 16.89247 ?        ?        ?         ?        
1 1 1 18 59 5  o 156.5413 9.059989 251.8834   28.36525 251.8834   28.36525 ?          ?        156.5413 9.059989 ?        ?        ?         ?        
1 1 1 18 59 6  o 129.8466 12.45176 177.5665   32.33638 177.5665   32.33638 ?          ?        129.8466 12.45176 ?        ?        ?         ?        
1 1 1 18 60 0  o 25.25602 17.83107 -29.49986  33.47099 -29.49986  33.47099 -29.49986  33.47099 25.25602 17.83107 25.25602 17.83107 -0.000000 0.000000 
1 1 1 18 60 1  o 78.17519 17.49393 69.21120   26.66333 69.21120   26.66333 ?          ?        78.17519 17.49393 ?        ?        ?         ?        
1 1 1 18 60 2  o 115.3155 11.31505 138.4224   26.09603 138.4224   26.09603 ?          ?        115.3155 11.31505 ?        ?        ?         ?        
1 1 1 18 60 3  o 89.02985 16.21146 87.93227   27.79794 87.93227   27.79794 ?          ?        89.02985 16.21146 ?        ?        ?         ?        
1 1 1 18 60 4  o 109.0766 11.96225 124.8071   26.09603 124.8071   26.09603 ?          ?        109.0766 11.96225 ?        ?        ?         ?        
1 1 1 18 60 5  o 171.2177 8.614721 300.6716   29.49986 300.6716   29.49986 ?          ?        171.2177 8.614721 ?        ?        ?         ?        
1 1 1 18 61 0  o 109.5357 19.63945 136.1532   39.14404 136.1532   39.14404 136.1532   39.14404 109.5357 19.63945 109.5357 19.63945 -0.000000 0.000000 
1 1 1 18 61 1  o 78.65552 17.06799 69.77851   26.09603 69.77851   26.09603 ?          ?        78.65552 17.06799 ?        ?        ?         ?        
1 1 1 18 61 2  o 189.0769 8.701138 366.4790   32.90369 366.4790   32.90369 ?          ?        189.0769 8.701138 ?        ?        ?         ?        
1 1 1 18 61 3  o 164.8524 8.775291 279.1140   28.93255 279.1140   28.93255 ?          ?        164.8524 8.775291 ?        ?        ?         ?        
1 1 1 18 61 4  o 203.7831 8.212407 424.9114   33.47099 424.9114   33.47099 ?          ?        203.7831 8.212407 ?        ?        ?         ?        
1 1 1 18 62 0  o 192.6694 13.38044 388.0366   51.05745 388.0366   51.05745 388.0366   51.05745 192.6694 13.38044 192.6694 13.38044 -0.000000 0.000000 
1 1 1 18 62 1  o 61.67315 20.07867 43.68248   28.36525 43.68248   28.36525 ?          ?        61.67315 20.07867 ?        ?        ?         ?        
1 1 1 18 62 2  o 208.8987 8.147083 446.4690   34.03830 446.4690   34.03830 ?          ?        208.8987 8.147083 ?        ?        ?         ?        
1 1 1 19 0  1  o 27.83095 20.06400 -70.91312  49.35553 -70.91312  49.35553 -70.91312  49.35553 27.83095 20.06400 27.83095 20.06400 -0.000000 0.000000 
1 1 1 19 0  2  o 244.3338 18.31489 608.7182   88.49958 608.7182   88.49958 608.7182   88.49958 244.3338 18.31489 244.3338 18.31489 -0.000000 0.000000 
1 1 1 19 0  4  o 126.2206 22.10244 172.4607   51.05745 172.4607   51.05745 172.4607   51.05745 126.2206 22.10244 126.2206 22.10244 -0.000000 0.000000 
1 1 1 19 0  5  o 205.2362 12.53547 426.6133   51.05745 426.6133   51.05745 426.6133   51.05745 205.2362 12.53547 205.2362 12.53547 -0.000000 0.000000 
1 1 1 19 0  7  f 114.0189 34.30977 162.2492   68.07660 162.2492   68.07660 162.2492   68.07660 114.0189 34.30977 114.0189 34.30977 -0.000000 0.000000 
1 1 1 19 0  8  o 602.2307 38.95626 3753.290   465.1901 3753.290   465.1901 3753.290   465.1901 602.2307 38.95626 602.2307 38.95626 -0.000000 0.000000 
1 1 1 19 0  9  f 96.15820 21.28290 105.5187   35.74022 105.5187   35.74022 105.5187   35.74022 96.15820 21.28290 96.15820 21.28290 -0.000000 0.000000 
1 1 1 19 0  10 o 667.3152 30.09863 4553.190   399.9500 4553.190   399.9500 4553.190   399.9500 667.3152 30.09863 667.3152 30.09863 -0.000000 0.000000 
1 1 1 19 0  11 o 136.5669 12.44887 191.7491   33.47099 191.7491   33.47099 191.7491   33.47099 136.5669 12.44887 136.5669 12.44887 -0.000000 0.000000 
1 1 1 19 0  12 o 34.95625 21.58615 10.77879   28.93255 10.77879   28.93255 10.77879   28.93255 34.95625 21.58615 34.95625 21.58615 -0.000000 0.000000 
1 1 1 19 0  13 o 68.11703 25.83500 64.10546   32.90369 64.10546   32.90369 64.10546   32.90369 68.11703 25.83500 68.11703 25.83500 -0.000000 0.000000 
1 1 1 19 0  14 o 62.77066 21.99384 52.75936   24.96142 52.75936   24.96142 52.75936   24.96142 62.77066 21.99384 62.77066 21.99384 -0.000000 0.000000 
1 1 1 19 0  15 o 20.73723 14.73148 -25.52872  23.82681 -25.52872  23.82681 -25.52872  23.82681 20.73723 14.73148 20.73723 14.73148 -0.000000 0.000000 
1 1 1 19 0  16 o 19.64081 14.17404 -35.17290  24.96142 -35.17290  24.96142 -35.17290  24.96142 19.64081 14.17404 19.64081 14.17404 -0.000000 0.000000 
1 1 1 19 0  17 o 35.53270 20.82627 17.58645   24.39412 17.58645   24.39412 17.58645   24.39412 35.53270 20.82627 35.53270 20.82627 -0.000000 0.000000 
1 1 1 19 1  0  o 90.94631 31.00804 107.7879   50.49014 107.7879   50.49014 107.7879   50.49014 90.94631 31.00804 90.94631 31.00804 -0.000000 0.000000 
1 1 1 19 1  1  o 55.18164 24.32264 -14.74993  52.19205 -14.74993  52.19205 ?          ?        55.18164 24.32264 ?        ?        ?         ?        
1 1 1 19 1  2  o 241.8630 12.54876 586.5934   60.70163 586.5934   60.70163 ?          ?        241.8630 12.54876 ?        ?        ?         ?        
1 1 1 19 1  3  o 50.61671 20.61433 9.644185   32.90369 9.644185   32.90369 ?          ?        50.61671 20.61433 ?        ?        ?         ?        
1 1 1 19 1  4  o 326.5669 10.50993 1068.802   68.64390 1068.802   68.64390 ?          ?        326.5669 10.50993 ?        ?        ?         ?        
1 1 1 19 1  5  o 329.3845 14.46748 1089.793   95.30723 1089.793   95.30723 ?          ?        329.3845 14.46748 ?        ?        ?         ?        
1 1 1 19 1  6  o 172.2046 14.16577 297.8351   48.78823 297.8351   48.78823 ?          ?        172.2046 14.16577 ?        ?        ?         ?        
1 1 1 19 1  8  o 248.2441 9.141083 617.7951   45.38440 617.7951   45.38440 ?          ?        248.2441 9.141083 ?        ?        ?         ?        
1 1 1 19 1  9  o 171.7014 8.425250 295.5659   28.93255 295.5659   28.93255 ?          ?        171.7014 8.425250 ?        ?        ?         ?        
1 1 1 19 1  10 o 380.0008 12.54040 1452.301   95.30723 1452.301   95.30723 ?          ?        380.0008 12.54040 ?        ?        ?         ?        
1 1 1 19 1  11 o 89.12764 12.41191 79.99000   22.12490 79.99000   22.12490 ?          ?        89.12764 12.41191 ?        ?        ?         ?        
1 1 1 19 1  12 o 256.0322 8.973813 659.2084   45.95170 659.2084   45.95170 ?          ?        256.0322 8.973813 ?        ?        ?         ?        
1 1 1 19 1  13 o 118.8763 9.067237 142.3935   21.55759 142.3935   21.55759 ?          ?        118.8763 9.067237 ?        ?        ?         ?        
1 1 1 19 1  14 o 63.84430 14.91586 43.68248   18.72106 43.68248   18.72106 ?          ?        63.84430 14.91586 ?        ?        ?         ?        
1 1 1 19 1  15 o 48.79829 14.90500 24.96142   15.88454 24.96142   15.88454 ?          ?        48.79829 14.90500 ?        ?        ?         ?        
1 1 1 19 1  16 o 92.81589 9.168231 87.93227   17.01915 87.93227   17.01915 ?          ?        92.81589 9.168231 ?        ?        ?         ?        
1 1 1 19 1  17 o 131.2842 7.994218 175.8645   20.99029 175.8645   20.99029 ?          ?        131.2842 7.994218 ?        ?        ?         ?        
1 1 1 19 2  0  o 135.6976 28.48527 207.6336   68.07660 207.6336   68.07660 207.6336   68.07660 135.6976 28.48527 135.6976 28.48527 -0.000000 0.000000 
1 1 1 19 2  1  o 156.2413 18.51787 245.6430   57.86510 245.6430   57.86510 ?          ?        156.2413 18.51787 ?        ?        ?         ?        
1 1 1 19 2  2  o 67.98710 27.31150 22.12490   56.73050 22.12490   56.73050 ?          ?        67.98710 27.31150 ?        ?        ?         ?        
1 1 1 19 2  3  f 120.6215 11.05248 145.7974   26.66333 145.7974   26.66333 ?          ?        120.6215 11.05248 ?        ?        ?         ?        
1 1 1 19 2  4  o 121.5766 9.332470 148.0666   22.69220 148.0666   22.69220 ?          ?        121.5766 9.332470 ?        ?        ?         ?        
1 1 1 19 2  5  o 167.5932 16.58656 282.5179   55.59589 282.5179   55.59589 ?          ?        167.5932 16.58656 ?        ?        ?         ?        
1 1 1 19 2  6  o 313.3039 12.31288 984.8415   77.15348 984.8415   77.15348 ?          ?        313.3039 12.31288 ?        ?        ?         ?        
1 1 1 19 2  7  o 227.9785 12.81533 521.9205   58.43241 521.9205   58.43241 ?          ?        227.9785 12.81533 ?        ?        ?         ?        
1 1 1 19 2  8  o 147.9160 10.73889 219.5470   31.76908 219.5470   31.76908 ?          ?        147.9160 10.73889 ?        ?        ?         ?        
1 1 1 19 2  9  f 176.2120 9.175419 311.4504   32.33638 311.4504   32.33638 ?          ?        176.2120 9.175419 ?        ?        ?         ?        
1 1 1 19 2  10 o 195.5322 9.139215 383.4982   35.74022 383.4982   35.74022 ?          ?        195.5322 9.139215 ?        ?        ?         ?        
1 1 1 19 2  11 o 57.53271 17.86438 33.47099   22.69220 33.47099   22.69220 ?          ?        57.53271 17.86438 ?        ?        ?         ?        
1 1 1 19 2  12 o 161.9326 9.283854 263.7968   30.06716 263.7968   30.06716 ?          ?        161.9326 9.283854 ?        ?        ?         ?        
1 1 1 19 2  13 o 51.31289 16.27722 26.66333   18.72106 26.66333   18.72106 ?          ?        51.31289 16.27722 ?        ?        ?         ?        
1 1 1 19 2  14 o 86.45432 10.82714 76.01886   18.72106 76.01886   18.72106 ?          ?        86.45432 10.82714 ?        ?        ?         ?        
1 1 1 19 2  15 o 81.61672 11.12135 68.07660   18.15376 68.07660   18.15376 ?          ?        81.61672 11.12135 ?        ?        ?         ?        
1 1 1 19 2  16 o 50.95905 15.70732 27.79794   17.58645 27.79794   17.58645 ?          ?        50.95905 15.70732 ?        ?        ?         ?        
1 1 1 19 2  17 f 42.30256 15.21169 17.01915   16.45185 17.01915   16.45185 ?          ?        42.30256 15.21169 ?        ?        ?         ?        
1 1 1 19 3  0  o 51.38511 26.35252 39.14404   34.03830 39.14404   34.03830 39.14404   34.03830 51.38511 26.35252 51.38511 26.35252 -0.000000 0.000000 
1 1 1 19 3  3  o 152.1570 11.37168 232.0277   34.60560 232.0277   34.60560 ?          ?        152.1570 11.37168 ?        ?        ?         ?        
1 1 1 19 3  4  o 559.6042 18.65320 3153.648   208.7682 3153.648   208.7682 ?          ?        559.6042 18.65320 ?        ?        ?         ?        
1 1 1 19 3  5  o 187.5921 16.78399 353.9983   62.97085 353.9983   62.97085 ?          ?        187.5921 16.78399 ?        ?        ?         ?        
1 1 1 19 3  6  o 165.5584 8.909198 274.5756   29.49986 274.5756   29.49986 ?          ?        165.5584 8.909198 ?        ?        ?         ?        
1 1 1 19 3  7  o 284.1618 11.27975 810.1115   64.10546 810.1115   64.10546 ?          ?        284.1618 11.27975 ?        ?        ?         ?        
1 1 1 19 3  9  o 218.7550 13.35567 481.6419   58.43241 481.6419   58.43241 ?          ?        218.7550 13.35567 ?        ?        ?         ?        
1 1 1 19 3  10 o 383.1623 12.58499 1476.695   96.44185 1476.695   96.44185 ?          ?        383.1623 12.58499 ?        ?        ?         ?        
1 1 1 19 3  11 o 75.91540 17.20807 60.70163   25.52872 60.70163   25.52872 ?          ?        75.91540 17.20807 ?        ?        ?         ?        
1 1 1 19 3  12 f 276.4684 10.15725 769.8329   56.16319 769.8329   56.16319 ?          ?        276.4684 10.15725 ?        ?        ?         ?        
1 1 1 19 3  13 o 227.1879 7.740928 519.0840   35.17290 519.0840   35.17290 ?          ?        227.1879 7.740928 ?        ?        ?         ?        
1 1 1 19 3  14 o 187.8513 7.398921 355.7002   27.79794 355.7002   27.79794 ?          ?        187.8513 7.398921 ?        ?        ?         ?        
1 1 1 19 3  15 o 121.6154 8.396544 149.7685   20.42298 149.7685   20.42298 ?          ?        121.6154 8.396544 ?        ?        ?         ?        
1 1 1 19 3  16 o 27.63175 12.90919 -15.31723  17.58645 -15.31723  17.58645 ?          ?        27.63175 12.90919 ?        ?        ?         ?        
1 1 1 19 3  17 o 114.7404 8.158008 134.4513   18.72106 134.4513   18.72106 ?          ?        114.7404 8.158008 ?        ?        ?         ?        
1 1 1 19 4  0  o 574.2464 23.69844 3331.215   271.1718 3331.215   271.1718 3331.215   271.1718 574.2464 23.69844 574.2464 23.69844 -0.000000 0.000000 
1 1 1 19 4  2  o 374.7381 16.50119 1410.887   123.6725 1410.887   123.6725 ?          ?        374.7381 16.50119 ?        ?        ?         ?        
1 1 1 19 4  3  o 103.3670 14.26947 107.2206   29.49986 107.2206   29.49986 ?          ?        103.3670 14.26947 ?        ?        ?         ?        
1 1 1 19 4  4  o 750.8648 24.70601 5708.790   371.0175 5708.790   371.0175 ?          ?        750.8648 24.70601 ?        ?        ?         ?        
1 1 1 19 4  5  f 165.0297 9.625263 272.8737   31.76908 272.8737   31.76908 ?          ?        165.0297 9.625263 ?        ?        ?         ?        
1 1 1 19 4  6  o 333.9450 12.82592 1119.293   85.66305 1119.293   85.66305 ?          ?        333.9450 12.82592 ?        ?        ?         ?        
1 1 1 19 4  7  o 140.7404 9.674064 198.5567   27.23064 198.5567   27.23064 ?          ?        140.7404 9.674064 ?        ?        ?         ?        
1 1 1 19 4  8  o 364.5026 14.16307 1336.571   103.2495 1336.571   103.2495 ?          ?        364.5026 14.16307 ?        ?        ?         ?        
1 1 1 19 4  9  o 248.8228 12.88175 622.9009   64.10546 622.9009   64.10546 ?          ?        248.8228 12.88175 ?        ?        ?         ?        
1 1 1 19 4  10 o 508.3670 19.52888 2620.949   198.5567 2620.949   198.5567 ?          ?        508.3670 19.52888 ?        ?        ?         ?        
1 1 1 19 4  11 o 118.5764 13.63526 141.8262   32.33638 141.8262   32.33638 ?          ?        118.5764 13.63526 ?        ?        ?         ?        
1 1 1 19 4  12 o 106.6359 13.56605 115.1629   28.93255 115.1629   28.93255 ?          ?        106.6359 13.56605 ?        ?        ?         ?        
1 1 1 19 4  13 o 71.75533 17.19669 55.02858   24.39412 55.02858   24.39412 ?          ?        71.75533 17.19669 ?        ?        ?         ?        
1 1 1 19 4  14 o 196.3825 7.221938 388.6039   28.36525 388.6039   28.36525 ?          ?        196.3825 7.221938 ?        ?        ?         ?        
1 1 1 19 4  15 f 123.4163 8.503857 154.3070   20.99029 154.3070   20.99029 ?          ?        123.4163 8.503857 ?        ?        ?         ?        
1 1 1 19 4  16 o 130.7739 7.808505 173.5953   20.42298 173.5953   20.42298 ?          ?        130.7739 7.808505 ?        ?        ?         ?        
1 1 1 19 4  17 o 97.46140 10.18643 98.14376   19.85567 98.14376   19.85567 ?          ?        97.46140 10.18643 ?        ?        ?         ?        
1 1 1 19 5  0  o 229.9494 19.00125 541.2089   86.23035 541.2089   86.23035 541.2089   86.23035 229.9494 19.00125 229.9494 19.00125 -0.000000 0.000000 
1 1 1 19 5  1  o 127.4295 12.24276 162.8165   31.20177 162.8165   31.20177 ?          ?        127.4295 12.24276 ?        ?        ?         ?        
1 1 1 19 5  2  o 99.12406 18.99155 102.1149   36.30752 102.1149   36.30752 ?          ?        99.12406 18.99155 ?        ?        ?         ?        
1 1 1 19 5  3  o 55.59253 20.66108 23.82681   30.63447 23.82681   30.63447 ?          ?        55.59253 20.66108 ?        ?        ?         ?        
1 1 1 19 5  4  o 287.6451 10.74870 829.3998   61.83624 829.3998   61.83624 ?          ?        287.6451 10.74870 ?        ?        ?         ?        
1 1 1 19 5  5  o 339.6736 12.19208 1157.302   82.82652 1157.302   82.82652 ?          ?        339.6736 12.19208 ?        ?        ?         ?        
1 1 1 19 5  6  o 317.0226 12.61582 1008.668   79.99000 1008.668   79.99000 ?          ?        317.0226 12.61582 ?        ?        ?         ?        
1 1 1 19 5  7  o 156.9313 8.856726 246.7777   27.79794 246.7777   27.79794 ?          ?        156.9313 8.856726 ?        ?        ?         ?        
1 1 1 19 5  8  o 150.0785 9.072132 225.7874   27.23064 225.7874   27.23064 ?          ?        150.0785 9.072132 ?        ?        ?         ?        
1 1 1 19 5  9  o 340.4013 13.33262 1166.379   90.76879 1166.379   90.76879 ?          ?        340.4013 13.33262 ?        ?        ?         ?        
1 1 1 19 5  10 o 535.2053 15.36966 2889.851   164.5184 2889.851   164.5184 ?          ?        535.2053 15.36966 ?        ?        ?         ?        
1 1 1 19 5  11 o 207.9904 8.182661 433.9883   34.03830 433.9883   34.03830 ?          ?        207.9904 8.182661 ?        ?        ?         ?        
1 1 1 19 5  12 o 194.9947 9.018941 382.3636   35.17290 382.3636   35.17290 ?          ?        194.9947 9.018941 ?        ?        ?         ?        
1 1 1 19 5  13 o 157.3750 8.831755 249.6142   27.79794 249.6142   27.79794 ?          ?        157.3750 8.831755 ?        ?        ?         ?        
1 1 1 19 5  14 o 86.70612 17.62429 81.12460   29.49986 81.12460   29.49986 ?          ?        86.70612 17.62429 ?        ?        ?         ?        
1 1 1 19 5  15 o 34.65343 15.50257 -7.942269  22.12490 -7.942269  22.12490 ?          ?        34.65343 15.50257 ?        ?        ?         ?        
1 1 1 19 5  16 o 120.3220 11.07999 149.2012   26.66333 149.2012   26.66333 ?          ?        120.3220 11.07999 ?        ?        ?         ?        
1 1 1 19 5  17 o 70.80718 18.87821 57.86510   27.23064 57.86510   27.23064 ?          ?        70.80718 18.87821 ?        ?        ?         ?        
1 1 1 19 6  0  o 504.1143 21.40875 2565.353   215.0086 2565.353   215.0086 2565.353   215.0086 504.1143 21.40875 504.1143 21.40875 -0.000000 0.000000 
1 1 1 19 6  1  o 292.9633 13.84552 861.1690   81.12460 861.1690   81.12460 ?          ?        292.9633 13.84552 ?        ?        ?         ?        
1 1 1 19 6  2  o 124.1712 16.21900 154.8743   40.27865 154.8743   40.27865 ?          ?        124.1712 16.21900 ?        ?        ?         ?        
1 1 1 19 6  3  o 305.4878 11.69939 935.4859   71.48043 935.4859   71.48043 ?          ?        305.4878 11.69939 ?        ?        ?         ?        
1 1 1 19 6  4  o 361.9828 11.28395 1313.878   81.69191 1313.878   81.69191 ?          ?        361.9828 11.28395 ?        ?        ?         ?        
1 1 1 19 6  5  o 341.9546 15.34581 1174.889   104.9514 1174.889   104.9514 ?          ?        341.9546 15.34581 ?        ?        ?         ?        
1 1 1 19 6  6  o 164.1502 9.676829 270.0372   31.76908 270.0372   31.76908 ?          ?        164.1502 9.676829 ?        ?        ?         ?        
1 1 1 19 6  7  o 190.5125 8.486683 363.6425   32.33638 363.6425   32.33638 ?          ?        190.5125 8.486683 ?        ?        ?         ?        
1 1 1 19 6  8  o 737.3222 26.69862 5551.646   393.7097 5551.646   393.7097 ?          ?        737.3222 26.69862 ?        ?        ?         ?        
1 1 1 19 6  9  o 292.7355 12.20905 861.7362   71.48043 861.7362   71.48043 ?          ?        292.7355 12.20905 ?        ?        ?         ?        
1 1 1 19 6  10 o 137.2291 9.094800 188.9126   24.96142 188.9126   24.96142 ?          ?        137.2291 9.094800 ?        ?        ?         ?        
1 1 1 19 6  11 o 151.5109 8.237498 230.3258   24.96142 230.3258   24.96142 ?          ?        151.5109 8.237498 ?        ?        ?         ?        
1 1 1 19 6  12 o 169.6893 8.357995 289.3255   28.36525 289.3255   28.36525 ?          ?        169.6893 8.357995 ?        ?        ?         ?        
1 1 1 19 6  13 o 109.5978 10.09368 121.4033   22.12490 121.4033   22.12490 ?          ?        109.5978 10.09368 ?        ?        ?         ?        
1 1 1 19 6  14 o 31.13720 14.21187 -12.48071  19.85567 -12.48071  19.85567 ?          ?        31.13720 14.21187 ?        ?        ?         ?        
1 1 1 19 6  15 o 55.42596 16.31706 32.90369   19.28837 32.90369   19.28837 ?          ?        55.42596 16.31706 ?        ?        ?         ?        
1 1 1 19 6  16 o 234.8130 8.093555 560.4974   38.00943 560.4974   38.00943 ?          ?        234.8130 8.093555 ?        ?        ?         ?        
1 1 1 19 6  17 o 36.82001 15.20438 6.240355   18.15376 6.240355   18.15376 ?          ?        36.82001 15.20438 ?        ?        ?         ?        
1 1 1 19 7  0  o 429.0602 25.84524 1871.539   220.1143 1871.539   220.1143 1871.539   220.1143 429.0602 25.84524 429.0602 25.84524 -0.000000 0.000000 
1 1 1 19 7  1  o 382.8560 16.52175 1472.724   126.5090 1472.724   126.5090 ?          ?        382.8560 16.52175 ?        ?        ?         ?        
1 1 1 19 7  2  o 309.3841 11.46037 959.3127   70.91312 959.3127   70.91312 ?          ?        309.3841 11.46037 ?        ?        ?         ?        
1 1 1 19 7  3  o 296.8126 8.600958 882.1592   51.05745 882.1592   51.05745 ?          ?        296.8126 8.600958 ?        ?        ?         ?        
1 1 1 19 7  4  o 741.4488 24.40766 5568.666   361.9406 5568.666   361.9406 ?          ?        741.4488 24.40766 ?        ?        ?         ?        
1 1 1 19 7  5  o 701.7576 23.12041 4976.966   324.4984 4976.966   324.4984 ?          ?        701.7576 23.12041 ?        ?        ?         ?        
1 1 1 19 7  6  o 767.5741 33.88719 6051.442   520.2186 6051.442   520.2186 ?          ?        767.5741 33.88719 ?        ?        ?         ?        
1 1 1 19 7  7  o 485.4170 17.76418 2376.440   172.4607 2376.440   172.4607 ?          ?        485.4170 17.76418 ?        ?        ?         ?        
1 1 1 19 7  8  o 224.8811 9.838488 507.1707   44.24979 507.1707   44.24979 ?          ?        224.8811 9.838488 ?        ?        ?         ?        
1 1 1 19 7  9  o 192.1952 8.707554 370.4502   33.47099 370.4502   33.47099 ?          ?        192.1952 8.707554 ?        ?        ?         ?        
1 1 1 19 7  10 o 186.9787 8.495375 350.5945   31.76908 350.5945   31.76908 ?          ?        186.9787 8.495375 ?        ?        ?         ?        
1 1 1 19 7  11 o 61.73236 17.54789 39.71135   22.69220 39.71135   22.69220 ?          ?        61.73236 17.54789 ?        ?        ?         ?        
1 1 1 19 7  12 o 132.6219 9.624626 176.9992   25.52872 176.9992   25.52872 ?          ?        132.6219 9.624626 ?        ?        ?         ?        
1 1 1 19 7  13 o 111.0781 10.21452 124.8071   22.69220 124.8071   22.69220 ?          ?        111.0781 10.21452 ?        ?        ?         ?        
1 1 1 19 7  14 o 163.3899 7.985813 269.4698   26.09603 269.4698   26.09603 ?          ?        163.3899 7.985813 ?        ?        ?         ?        
1 1 1 19 7  15 o 151.6148 7.857681 232.5950   23.82681 232.5950   23.82681 ?          ?        151.6148 7.857681 ?        ?        ?         ?        
1 1 1 19 7  16 o 81.04080 11.90041 68.07660   19.28837 68.07660   19.28837 ?          ?        81.04080 11.90041 ?        ?        ?         ?        
1 1 1 19 7  17 o 109.6530 9.312552 123.6725   20.42298 123.6725   20.42298 ?          ?        109.6530 9.312552 ?        ?        ?         ?        
1 1 1 19 8  0  o 257.3702 21.33426 678.4968   108.3553 678.4968   108.3553 678.4968   108.3553 257.3702 21.33426 257.3702 21.33426 -0.000000 0.000000 
1 1 1 19 8  1  o 503.9444 14.63448 2548.901   147.4993 2548.901   147.4993 ?          ?        503.9444 14.63448 ?        ?        ?         ?        
1 1 1 19 8  2  f 214.3571 8.733586 460.0844   37.44213 460.0844   37.44213 ?          ?        214.3571 8.733586 ?        ?        ?         ?        
1 1 1 19 8  3  o 263.0475 10.02848 693.2466   52.75936 693.2466   52.75936 ?          ?        263.0475 10.02848 ?        ?        ?         ?        
1 1 1 19 8  4  o 322.8000 8.962998 1043.841   57.86510 1043.841   57.86510 ?          ?        322.8000 8.962998 ?        ?        ?         ?        
1 1 1 19 8  5  o 618.4078 17.75099 3848.029   219.5470 3848.029   219.5470 ?          ?        618.4078 17.75099 ?        ?        ?         ?        
1 1 1 19 8  6  o 366.5748 14.08301 1350.186   103.2495 1350.186   103.2495 ?          ?        366.5748 14.08301 ?        ?        ?         ?        
1 1 1 19 8  7  f 207.8636 8.051191 432.8537   33.47099 432.8537   33.47099 ?          ?        207.8636 8.051191 ?        ?        ?         ?        
1 1 1 19 8  8  o 340.0833 13.01146 1162.408   88.49958 1162.408   88.49958 ?          ?        340.0833 13.01146 ?        ?        ?         ?        
1 1 1 19 8  9  o 271.3222 8.259017 738.0638   44.81709 738.0638   44.81709 ?          ?        271.3222 8.259017 ?        ?        ?         ?        
1 1 1 19 8  10 o 96.44061 12.64722 93.60532   24.39412 93.60532   24.39412 ?          ?        96.44061 12.64722 ?        ?        ?         ?        
1 1 1 19 8  11 o 199.6531 7.956070 399.9500   31.76908 399.9500   31.76908 ?          ?        199.6531 7.956070 ?        ?        ?         ?        
1 1 1 19 8  12 o 294.9464 9.040061 874.7842   53.32666 874.7842   53.32666 ?          ?        294.9464 9.040061 ?        ?        ?         ?        
1 1 1 19 8  13 o 89.43005 11.10123 81.12460   19.85567 81.12460   19.85567 ?          ?        89.43005 11.10123 ?        ?        ?         ?        
1 1 1 19 8  14 o 148.3853 8.219858 222.3835   24.39412 222.3835   24.39412 ?          ?        148.3853 8.219858 ?        ?        ?         ?        
1 1 1 19 8  15 o 66.28129 15.28070 47.65361   19.85567 47.65361   19.85567 ?          ?        66.28129 15.28070 ?        ?        ?         ?        
1 1 1 19 8  16 o 95.46722 10.10209 93.60532   19.28837 93.60532   19.28837 ?          ?        95.46722 10.10209 ?        ?        ?         ?        
1 1 1 19 8  17 o 26.65558 12.50845 -15.88454  17.01915 -15.88454  17.01915 ?          ?        26.65558 12.50845 ?        ?        ?         ?        
1 1 1 19 9  0  o 20.18919 14.66358 -52.19205  29.49986 -52.19205  29.49986 -52.19205  29.49986 20.18919 14.66358 20.18919 14.66358 -0.000000 0.000000 
1 1 1 19 9  1  o 238.1723 7.979399 567.8723   38.00943 567.8723   38.00943 ?          ?        238.1723 7.979399 ?        ?        ?         ?        
1 1 1 19 9  2  o 476.3115 12.56545 2274.893   119.7014 2274.893   119.7014 ?          ?        476.3115 12.56545 ?        ?        ?         ?        
1 1 1 19 9  3  o 676.9455 19.35864 4616.161   262.0949 4616.161   262.0949 ?          ?        676.9455 19.35864 ?        ?        ?         ?        
1 1 1 19 9  4  o 566.4748 23.43429 3247.821   265.4987 3247.821   265.4987 ?          ?        566.4748 23.43429 ?        ?        ?         ?        
1 1 1 19 9  5  o 482.4884 12.87490 2335.595   124.2398 2335.595   124.2398 ?          ?        482.4884 12.87490 ?        ?        ?         ?        
1 1 1 19 9  6  o 529.3139 23.41827 2839.361   247.9123 2839.361   247.9123 ?          ?        529.3139 23.41827 ?        ?        ?         ?        
1 1 1 19 9  7  o 225.1188 10.20610 508.3052   45.95170 508.3052   45.95170 ?          ?        225.1188 10.20610 ?        ?        ?         ?        
1 1 1 19 9  8  o 608.6458 19.15419 3745.347   233.1623 3745.347   233.1623 ?          ?        608.6458 19.15419 ?        ?        ?         ?        
1 1 1 19 9  9  o 191.9699 7.535699 369.3155   28.93255 369.3155   28.93255 ?          ?        191.9699 7.535699 ?        ?        ?         ?        
1 1 1 19 9  10 o 300.5764 9.059475 906.5533   54.46128 906.5533   54.46128 ?          ?        300.5764 9.059475 ?        ?        ?         ?        
1 1 1 19 9  11 o 124.8861 11.81071 157.1435   29.49986 157.1435   29.49986 ?          ?        124.8861 11.81071 ?        ?        ?         ?        
1 1 1 19 9  12 o 281.2136 8.573719 794.7943   48.22092 794.7943   48.22092 ?          ?        281.2136 8.573719 ?        ?        ?         ?        
1 1 1 19 9  13 o 153.6165 7.755291 237.7008   23.82681 237.7008   23.82681 ?          ?        153.6165 7.755291 ?        ?        ?         ?        
1 1 1 19 9  14 o 218.7608 8.168789 483.3438   35.74022 483.3438   35.74022 ?          ?        218.7608 8.168789 ?        ?        ?         ?        
1 1 1 19 9  15 o 118.3191 9.109938 142.3935   21.55759 142.3935   21.55759 ?          ?        118.3191 9.109938 ?        ?        ?         ?        
1 1 1 19 9  16 o 156.3418 7.801536 248.4796   24.39412 248.4796   24.39412 ?          ?        156.3418 7.801536 ?        ?        ?         ?        
1 1 1 19 9  17 o 94.29173 9.927204 91.90340   18.72106 91.90340   18.72106 ?          ?        94.29173 9.927204 ?        ?        ?         ?        
1 1 1 19 10 0  o 156.7824 12.45665 250.7488   38.57674 250.7488   38.57674 250.7488   38.57674 156.7824 12.45665 156.7824 12.45665 -0.000000 0.000000 
1 1 1 19 10 1  o 219.1071 7.249667 480.5073   31.76908 480.5073   31.76908 ?          ?        219.1071 7.249667 ?        ?        ?         ?        
1 1 1 19 10 2  o 225.4756 7.296509 508.8725   32.90369 508.8725   32.90369 ?          ?        225.4756 7.296509 ?        ?        ?         ?        
1 1 1 19 10 3  o 313.3785 9.051434 983.7067   56.73050 983.7067   56.73050 ?          ?        313.3785 9.051434 ?        ?        ?         ?        
1 1 1 19 10 4  o 163.0207 7.307910 266.0660   23.82681 266.0660   23.82681 ?          ?        163.0207 7.307910 ?        ?        ?         ?        
1 1 1 19 10 5  o 322.4960 12.40171 1043.274   79.99000 1043.274   79.99000 ?          ?        322.4960 12.40171 ?        ?        ?         ?        
1 1 1 19 10 6  o 694.6346 31.27944 4942.361   434.5556 4942.361   434.5556 ?          ?        694.6346 31.27944 ?        ?        ?         ?        
1 1 1 19 10 7  o 484.5282 17.97239 2370.200   174.1626 2370.200   174.1626 ?          ?        484.5282 17.97239 ?        ?        ?         ?        
1 1 1 19 10 8  o 433.2153 16.30355 1891.962   141.2589 1891.962   141.2589 ?          ?        433.2153 16.30355 ?        ?        ?         ?        
1 1 1 19 10 9  o 303.6583 9.621410 925.2744   58.43241 925.2744   58.43241 ?          ?        303.6583 9.621410 ?        ?        ?         ?        
1 1 1 19 10 10 o 87.80794 13.56757 77.72078   23.82681 77.72078   23.82681 ?          ?        87.80794 13.56757 ?        ?        ?         ?        
1 1 1 19 10 11 o 222.1583 9.192986 495.8246   40.84595 495.8246   40.84595 ?          ?        222.1583 9.192986 ?        ?        ?         ?        
1 1 1 19 10 12 o 246.7086 8.278177 611.5547   40.84595 611.5547   40.84595 ?          ?        246.7086 8.278177 ?        ?        ?         ?        
1 1 1 19 10 13 o 43.05946 17.14765 10.77879   22.12490 10.77879   22.12490 ?          ?        43.05946 17.14765 ?        ?        ?         ?        
1 1 1 19 10 14 o 318.1793 12.03506 1034.764   76.58617 1034.764   76.58617 ?          ?        318.1793 12.03506 ?        ?        ?         ?        
1 1 1 19 10 15 o 139.7688 7.914820 197.9895   22.12490 197.9895   22.12490 ?          ?        139.7688 7.914820 ?        ?        ?         ?        
1 1 1 19 10 16 o 162.9477 7.833411 270.0372   25.52872 270.0372   25.52872 ?          ?        162.9477 7.833411 ?        ?        ?         ?        
1 1 1 19 10 17 o 129.2549 8.558631 171.3261   22.12490 171.3261   22.12490 ?          ?        129.2549 8.558631 ?        ?        ?         ?        
1 1 1 19 11 0  o 735.4545 24.24013 5453.503   355.7002 5453.503   355.7002 5453.503   355.7002 735.4545 24.24013 735.4545 24.24013 -0.000000 0.000000 
1 1 1 19 11 1  o 196.3314 6.790388 385.7674   26.66333 385.7674   26.66333 ?          ?        196.3314 6.790388 ?        ?        ?         ?        
1 1 1 19 11 2  o 42.67466 16.43431 11.91340   19.85567 11.91340   19.85567 ?          ?        42.67466 16.43431 ?        ?        ?         ?        
1 1 1 19 11 3  o 120.3919 9.659915 145.2301   23.25950 145.2301   23.25950 ?          ?        120.3919 9.659915 ?        ?        ?         ?        
1 1 1 19 11 4  o 138.7749 8.584700 192.8837   23.82681 192.8837   23.82681 ?          ?        138.7749 8.584700 ?        ?        ?         ?        
1 1 1 19 11 5  o 608.4709 17.66794 3726.626   215.0086 3726.626   215.0086 ?          ?        608.4709 17.66794 ?        ?        ?         ?        
1 1 1 19 11 6  o 389.4650 12.96397 1523.214   100.9803 1523.214   100.9803 ?          ?        389.4650 12.96397 ?        ?        ?         ?        
1 1 1 19 11 7  o 444.2839 16.47198 1990.106   146.3647 1990.106   146.3647 ?          ?        444.2839 16.47198 ?        ?        ?         ?        
1 1 1 19 11 8  o 182.2433 11.82901 333.5753   43.11518 333.5753   43.11518 ?          ?        182.2433 11.82901 ?        ?        ?         ?        
1 1 1 19 11 9  o 117.1561 10.89518 137.8551   25.52872 137.8551   25.52872 ?          ?        117.1561 10.89518 ?        ?        ?         ?        
1 1 1 19 11 10 o 308.1125 12.33622 955.9088   76.01886 955.9088   76.01886 ?          ?        308.1125 12.33622 ?        ?        ?         ?        
1 1 1 19 11 11 o 223.1558 8.135015 499.7957   36.30752 499.7957   36.30752 ?          ?        223.1558 8.135015 ?        ?        ?         ?        
1 1 1 19 11 12 o 259.1801 8.317610 675.0929   43.11518 675.0929   43.11518 ?          ?        259.1801 8.317610 ?        ?        ?         ?        
1 1 1 19 11 13 o 91.41422 12.10145 85.09574   22.12490 85.09574   22.12490 ?          ?        91.41422 12.10145 ?        ?        ?         ?        
1 1 1 19 11 14 o 107.6959 10.53531 117.9994   22.69220 117.9994   22.69220 ?          ?        107.6959 10.53531 ?        ?        ?         ?        
1 1 1 19 11 15 o 109.7541 8.787081 122.5379   19.28837 122.5379   19.28837 ?          ?        109.7541 8.787081 ?        ?        ?         ?        
1 1 1 19 11 16 o 84.26554 11.78161 73.74965   19.85567 73.74965   19.85567 ?          ?        84.26554 11.78161 ?        ?        ?         ?        
1 1 1 19 11 17 o 94.94166 10.45678 93.60532   19.85567 93.60532   19.85567 ?          ?        94.94166 10.45678 ?        ?        ?         ?        
1 1 1 19 12 0  o 52.61898 20.45999 38.00943   20.42298 38.00943   20.42298 38.00943   20.42298 52.61898 20.45999 52.61898 20.45999 -0.000000 0.000000 
1 1 1 19 12 1  o 532.1468 12.63291 2839.929   134.4513 2839.929   134.4513 ?          ?        532.1468 12.63291 ?        ?        ?         ?        
1 1 1 19 12 2  o 199.3892 9.389206 398.2480   37.44213 398.2480   37.44213 ?          ?        199.3892 9.389206 ?        ?        ?         ?        
1 1 1 19 12 3  o 489.3063 11.71001 2401.402   114.5956 2401.402   114.5956 ?          ?        489.3063 11.71001 ?        ?        ?         ?        
1 1 1 19 12 4  o 489.3709 13.04160 2403.104   127.6436 2403.104   127.6436 ?          ?        489.3709 13.04160 ?        ?        ?         ?        
1 1 1 19 12 5  o 428.6862 12.77040 1844.308   109.4899 1844.308   109.4899 ?          ?        428.6862 12.77040 ?        ?        ?         ?        
1 1 1 19 12 6  o 116.5311 10.22337 136.1532   23.82681 136.1532   23.82681 ?          ?        116.5311 10.22337 ?        ?        ?         ?        
1 1 1 19 12 7  f 232.3661 8.789141 541.2089   40.84595 541.2089   40.84595 ?          ?        232.3661 8.789141 ?        ?        ?         ?        
1 1 1 19 12 8  o 352.6399 14.07645 1251.475   99.27837 1251.475   99.27837 ?          ?        352.6399 14.07645 ?        ?        ?         ?        
1 1 1 19 12 9  o 119.5341 11.15302 143.5282   26.66333 143.5282   26.66333 ?          ?        119.5341 11.15302 ?        ?        ?         ?        
1 1 1 19 12 10 o 170.7835 8.802711 292.7294   30.06716 292.7294   30.06716 ?          ?        170.7835 8.802711 ?        ?        ?         ?        
1 1 1 19 12 11 o 222.4881 8.414412 496.9591   37.44213 496.9591   37.44213 ?          ?        222.4881 8.414412 ?        ?        ?         ?        
1 1 1 19 12 12 o 56.08293 17.13455 32.33638   20.99029 32.33638   20.99029 ?          ?        56.08293 17.13455 ?        ?        ?         ?        
1 1 1 19 12 13 o 109.6395 10.86598 121.9706   23.82681 121.9706   23.82681 ?          ?        109.6395 10.86598 ?        ?        ?         ?        
1 1 1 19 12 14 f 257.7179 8.694990 672.2563   44.81709 672.2563   44.81709 ?          ?        257.7179 8.694990 ?        ?        ?         ?        
1 1 1 19 12 15 o 48.84878 16.31198 24.39412   18.72106 24.39412   18.72106 ?          ?        48.84878 16.31198 ?        ?        ?         ?        
1 1 1 19 12 16 o 97.09794 10.22456 97.00916   19.85567 97.00916   19.85567 ?          ?        97.09794 10.22456 ?        ?        ?         ?        
1 1 1 19 12 17 o 48.22748 15.80997 24.96142   17.58645 24.96142   17.58645 ?          ?        48.22748 15.80997 ?        ?        ?         ?        
1 1 1 19 13 0  o 205.4085 8.454609 424.3441   34.60560 424.3441   34.60560 424.3441   34.60560 205.4085 8.454609 205.4085 8.454609 -0.000000 0.000000 
1 1 1 19 13 1  o 690.4041 13.88673 4784.083   191.7491 4784.083   191.7491 ?          ?        690.4041 13.88673 ?        ?        ?         ?        
1 1 1 19 13 2  o 347.5079 8.652225 1209.494   60.13433 1209.494   60.13433 ?          ?        347.5079 8.652225 ?        ?        ?         ?        
1 1 1 19 13 3  f 313.8839 7.771701 986.5433   48.78823 986.5433   48.78823 ?          ?        313.8839 7.771701 ?        ?        ?         ?        
1 1 1 19 13 4  o 196.4488 7.363892 386.3347   28.93255 386.3347   28.93255 ?          ?        196.4488 7.363892 ?        ?        ?         ?        
1 1 1 19 13 5  o 473.6621 15.27067 2255.605   144.6628 2255.605   144.6628 ?          ?        473.6621 15.27067 ?        ?        ?         ?        
1 1 1 19 13 6  o 428.7722 14.02477 1847.712   120.2687 1847.712   120.2687 ?          ?        428.7722 14.02477 ?        ?        ?         ?        
1 1 1 19 13 7  o 235.1472 10.61523 554.8243   49.92284 554.8243   49.92284 ?          ?        235.1472 10.61523 ?        ?        ?         ?        
1 1 1 19 13 8  o 262.1122 8.549220 688.7083   44.81709 688.7083   44.81709 ?          ?        262.1122 8.549220 ?        ?        ?         ?        
1 1 1 19 13 9  f 342.6968 13.65716 1182.263   93.60532 1182.263   93.60532 ?          ?        342.6968 13.65716 ?        ?        ?         ?        
1 1 1 19 13 10 o 268.9999 9.595684 726.7177   51.62476 726.7177   51.62476 ?          ?        268.9999 9.595684 ?        ?        ?         ?        
1 1 1 19 13 11 o 173.3045 9.165684 301.8062   31.76908 301.8062   31.76908 ?          ?        173.3045 9.165684 ?        ?        ?         ?        
1 1 1 19 13 12 f 41.93105 17.24660 6.240355   23.25950 6.240355   23.25950 ?          ?        41.93105 17.24660 ?        ?        ?         ?        
1 1 1 19 13 13 o 205.1314 8.296707 424.3441   34.03830 424.3441   34.03830 ?          ?        205.1314 8.296707 ?        ?        ?         ?        
1 1 1 19 13 14 o 192.6878 7.802043 374.9886   30.06716 374.9886   30.06716 ?          ?        192.6878 7.802043 ?        ?        ?         ?        
1 1 1 19 13 15 o 63.55853 15.69333 44.24979   19.85567 44.24979   19.85567 ?          ?        63.55853 15.69333 ?        ?        ?         ?        
1 1 1 19 13 16 o 115.6187 9.077375 136.7205   20.99029 136.7205   20.99029 ?          ?        115.6187 9.077375 ?        ?        ?         ?        
1 1 1 19 13 17 o 55.15127 15.70111 34.03830   18.15376 34.03830   18.15376 ?          ?        55.15127 15.70111 ?        ?        ?         ?        
1 1 1 19 14 0  o 34.39512 19.49409 15.88454   20.42298 15.88454   20.42298 15.88454   20.42298 34.39512 19.49409 34.39512 19.49409 -0.000000 0.000000 
1 1 1 19 14 1  o 570.7169 11.53065 3265.975   131.6148 3265.975   131.6148 ?          ?        570.7169 11.53065 ?        ?        ?         ?        
1 1 1 19 14 2  o 223.9034 8.234538 502.0649   36.87482 502.0649   36.87482 ?          ?        223.9034 8.234538 ?        ?        ?         ?        
1 1 1 19 14 3  o 443.9126 9.968131 1974.789   88.49958 1974.789   88.49958 ?          ?        443.9126 9.968131 ?        ?        ?         ?        
1 1 1 19 14 4  f 325.4987 9.585837 1061.428   62.40355 1061.428   62.40355 ?          ?        325.4987 9.585837 ?        ?        ?         ?        
1 1 1 19 14 5  o 195.2003 9.154754 381.7962   35.74022 381.7962   35.74022 ?          ?        195.2003 9.154754 ?        ?        ?         ?        
1 1 1 19 14 6  o 352.9124 13.50296 1251.475   95.30723 1251.475   95.30723 ?          ?        352.9124 13.50296 ?        ?        ?         ?        
1 1 1 19 14 7  o 142.6635 10.73662 204.2298   30.63447 204.2298   30.63447 ?          ?        142.6635 10.73662 ?        ?        ?         ?        
1 1 1 19 14 8  o 218.1789 8.060567 477.1035   35.17290 477.1035   35.17290 ?          ?        218.1789 8.060567 ?        ?        ?         ?        
1 1 1 19 14 9  o 77.60711 15.89870 62.97085   23.82681 62.97085   23.82681 ?          ?        77.60711 15.89870 ?        ?        ?         ?        
1 1 1 19 14 10 o 438.2983 11.64902 1932.808   102.1149 1932.808   102.1149 ?          ?        438.2983 11.64902 ?        ?        ?         ?        
1 1 1 19 14 11 o 149.4840 9.297965 224.6528   27.79794 224.6528   27.79794 ?          ?        149.4840 9.297965 ?        ?        ?         ?        
1 1 1 19 14 12 o 132.8751 10.03323 178.1338   26.66333 178.1338   26.66333 ?          ?        132.8751 10.03323 ?        ?        ?         ?        
1 1 1 19 14 13 o 47.52216 18.56547 15.31723   25.52872 15.31723   25.52872 ?          ?        47.52216 18.56547 ?        ?        ?         ?        
1 1 1 19 14 14 o 223.3062 7.875489 503.7668   35.17290 503.7668   35.17290 ?          ?        223.3062 7.875489 ?        ?        ?         ?        
1 1 1 19 14 15 o 38.85311 15.94996 6.807660   19.85567 6.807660   19.85567 ?          ?        38.85311 15.94996 ?        ?        ?         ?        
1 1 1 19 14 16 o 92.67474 10.40649 88.49958   19.28837 88.49958   19.28837 ?          ?        92.67474 10.40649 ?        ?        ?         ?        
1 1 1 19 14 17 o 110.2594 9.518589 125.3744   20.99029 125.3744   20.99029 ?          ?        110.2594 9.518589 ?        ?        ?         ?        
1 1 1 19 15 0  f 40.16994 23.66816 19.28837   31.76908 19.28837   31.76908 19.28837   31.76908 40.16994 23.66816 40.16994 23.66816 -0.000000 0.000000 
1 1 1 19 15 1  o 237.8127 7.156535 566.1703   34.03830 566.1703   34.03830 ?          ?        237.8127 7.156535 ?        ?        ?         ?        
1 1 1 19 15 2  o 243.7981 7.446227 595.1030   36.30752 595.1030   36.30752 ?          ?        243.7981 7.446227 ?        ?        ?         ?        
1 1 1 19 15 3  o 585.8628 14.96061 3448.080   175.2972 3448.080   175.2972 ?          ?        585.8628 14.96061 ?        ?        ?         ?        
1 1 1 19 15 4  o 96.94337 9.948267 94.17262   19.28837 94.17262   19.28837 ?          ?        96.94337 9.948267 ?        ?        ?         ?        
1 1 1 19 15 5  o 298.1695 9.988787 891.2361   59.56702 891.2361   59.56702 ?          ?        298.1695 9.988787 ?        ?        ?         ?        
1 1 1 19 15 6  o 154.9329 8.604801 240.5373   26.66333 240.5373   26.66333 ?          ?        154.9329 8.604801 ?        ?        ?         ?        
1 1 1 19 15 7  o 308.3244 10.30378 953.6396   63.53815 953.6396   63.53815 ?          ?        308.3244 10.30378 ?        ?        ?         ?        
1 1 1 19 15 8  f 197.1400 8.776912 389.7385   34.60560 389.7385   34.60560 ?          ?        197.1400 8.776912 ?        ?        ?         ?        
1 1 1 19 15 9  o 303.0289 12.63678 923.5726   76.58617 923.5726   76.58617 ?          ?        303.0289 12.63678 ?        ?        ?         ?        
1 1 1 19 15 10 o 195.1118 10.03118 382.3636   39.14404 382.3636   39.14404 ?          ?        195.1118 10.03118 ?        ?        ?         ?        
1 1 1 19 15 11 o 89.19860 13.67405 80.55730   24.39412 80.55730   24.39412 ?          ?        89.19860 13.67405 ?        ?        ?         ?        
1 1 1 19 15 12 o 73.42724 16.26947 57.29780   23.25950 57.29780   23.25950 ?          ?        73.42724 16.26947 ?        ?        ?         ?        
1 1 1 19 15 13 o 210.7707 8.478457 448.1709   35.74022 448.1709   35.74022 ?          ?        210.7707 8.478457 ?        ?        ?         ?        
1 1 1 19 15 14 o 266.9933 9.667797 723.8811   51.62476 723.8811   51.62476 ?          ?        266.9933 9.667797 ?        ?        ?         ?        
1 1 1 19 15 15 o 103.7666 9.840826 110.0572   20.42298 110.0572   20.42298 ?          ?        103.7666 9.840826 ?        ?        ?         ?        
1 1 1 19 15 16 o 28.65304 13.28119 -13.61532  18.15376 -13.61532  18.15376 ?          ?        28.65304 13.28119 ?        ?        ?         ?        
1 1 1 19 16 0  o 345.0461 12.78033 1197.581   87.93227 1197.581   87.93227 1197.581   87.93227 345.0461 12.78033 345.0461 12.78033 -0.000000 0.000000 
1 1 1 19 16 1  o 565.7610 12.28343 3211.513   138.9897 3211.513   138.9897 ?          ?        565.7610 12.28343 ?        ?        ?         ?        
1 1 1 19 16 2  o 298.6487 7.313354 892.9379   43.68248 892.9379   43.68248 ?          ?        298.6487 7.313354 ?        ?        ?         ?        
1 1 1 19 16 3  o 455.9911 10.38835 2083.711   94.73994 2083.711   94.73994 ?          ?        455.9911 10.38835 ?        ?        ?         ?        
1 1 1 19 16 4  o 104.5215 10.04113 109.4899   20.99029 109.4899   20.99029 ?          ?        104.5215 10.04113 ?        ?        ?         ?        
1 1 1 19 16 5  o 319.4533 8.346552 1022.284   53.32666 1022.284   53.32666 ?          ?        319.4533 8.346552 ?        ?        ?         ?        
1 1 1 19 16 6  o 123.3797 9.196085 152.6050   22.69220 152.6050   22.69220 ?          ?        123.3797 9.196085 ?        ?        ?         ?        
1 1 1 19 16 7  o 223.3337 8.255544 499.7957   36.87482 499.7957   36.87482 ?          ?        223.3337 8.255544 ?        ?        ?         ?        
1 1 1 19 16 8  o 368.1341 11.09540 1361.532   81.69191 1361.532   81.69191 ?          ?        368.1341 11.09540 ?        ?        ?         ?        
1 1 1 19 16 9  o 515.8734 16.55046 2688.458   170.7588 2688.458   170.7588 ?          ?        515.8734 16.55046 ?        ?        ?         ?        
1 1 1 19 16 10 o 133.8772 8.686881 179.8357   23.25950 179.8357   23.25950 ?          ?        133.8772 8.686881 ?        ?        ?         ?        
1 1 1 19 16 11 o 168.2513 7.586484 284.2198   25.52872 284.2198   25.52872 ?          ?        168.2513 7.586484 ?        ?        ?         ?        
1 1 1 19 16 12 o 246.6228 8.511087 612.1221   41.98057 612.1221   41.98057 ?          ?        246.6228 8.511087 ?        ?        ?         ?        
1 1 1 19 16 13 o 59.26650 16.58359 37.44213   20.42298 37.44213   20.42298 ?          ?        59.26650 16.58359 ?        ?        ?         ?        
1 1 1 19 16 14 f 166.9965 8.153059 281.9506   27.23064 281.9506   27.23064 ?          ?        166.9965 8.153059 ?        ?        ?         ?        
1 1 1 19 16 15 o 73.25241 14.05427 57.86510   19.85567 57.86510   19.85567 ?          ?        73.25241 14.05427 ?        ?        ?         ?        
1 1 1 19 16 16 o 39.44949 15.75357 10.21149   18.72106 10.21149   18.72106 ?          ?        39.44949 15.75357 ?        ?        ?         ?        
1 1 1 19 17 0  o 221.9939 9.234350 495.8246   40.84595 495.8246   40.84595 495.8246   40.84595 221.9939 9.234350 221.9939 9.234350 -0.000000 0.000000 
1 1 1 19 17 1  o 147.1014 8.291598 216.7105   24.39412 216.7105   24.39412 ?          ?        147.1014 8.291598 ?        ?        ?         ?        
1 1 1 19 17 2  o 77.43095 12.08888 60.13433   18.72106 60.13433   18.72106 ?          ?        77.43095 12.08888 ?        ?        ?         ?        
1 1 1 19 17 3  o 340.0824 9.007954 1158.437   61.26894 1158.437   61.26894 ?          ?        340.0824 9.007954 ?        ?        ?         ?        
1 1 1 19 17 4  o 441.7712 11.62165 1957.770   102.6822 1957.770   102.6822 ?          ?        441.7712 11.62165 ?        ?        ?         ?        
1 1 1 19 17 5  o 441.7187 12.97156 1959.471   114.5956 1959.471   114.5956 ?          ?        441.7187 12.97156 ?        ?        ?         ?        
1 1 1 19 17 6  o 99.46124 10.83718 99.27837   21.55759 99.27837   21.55759 ?          ?        99.46124 10.83718 ?        ?        ?         ?        
1 1 1 19 17 7  o 277.9406 8.878794 774.3713   49.35553 774.3713   49.35553 ?          ?        277.9406 8.878794 ?        ?        ?         ?        
1 1 1 19 17 8  o 223.4345 7.744014 500.3629   34.60560 500.3629   34.60560 ?          ?        223.4345 7.744014 ?        ?        ?         ?        
1 1 1 19 17 9  o 159.0145 8.562311 253.5853   27.23064 253.5853   27.23064 ?          ?        159.0145 8.562311 ?        ?        ?         ?        
1 1 1 19 17 10 o 184.6703 7.987168 342.0849   29.49986 342.0849   29.49986 ?          ?        184.6703 7.987168 ?        ?        ?         ?        
1 1 1 19 17 11 o 198.3068 8.868307 395.4115   35.17290 395.4115   35.17290 ?          ?        198.3068 8.868307 ?        ?        ?         ?        
1 1 1 19 17 12 o 223.4362 8.759559 502.6322   39.14404 502.6322   39.14404 ?          ?        223.4362 8.759559 ?        ?        ?         ?        
1 1 1 19 17 13 o 142.4939 9.156893 205.3644   26.09603 205.3644   26.09603 ?          ?        142.4939 9.156893 ?        ?        ?         ?        
1 1 1 19 17 14 o 130.8955 8.884760 173.5953   23.25950 173.5953   23.25950 ?          ?        130.8955 8.884760 ?        ?        ?         ?        
1 1 1 19 17 15 o 59.97694 15.84187 39.71135   19.28837 39.71135   19.28837 ?          ?        59.97694 15.84187 ?        ?        ?         ?        
1 1 1 19 17 16 o 77.23397 12.11971 62.40355   18.72106 62.40355   18.72106 ?          ?        77.23397 12.11971 ?        ?        ?         ?        
1 1 1 19 18 0  o 367.3791 11.29613 1355.292   82.82652 1355.292   82.82652 1355.292   82.82652 367.3791 11.29613 367.3791 11.29613 -0.000000 0.000000 
1 1 1 19 18 1  o 300.3743 6.988043 903.1494   41.98057 903.1494   41.98057 ?          ?        300.3743 6.988043 ?        ?        ?         ?        
1 1 1 19 18 2  o 198.2007 6.297005 393.1424   24.96142 393.1424   24.96142 ?          ?        198.2007 6.297005 ?        ?        ?         ?        
1 1 1 19 18 3  o 571.8801 12.49920 3281.292   142.9609 3281.292   142.9609 ?          ?        571.8801 12.49920 ?        ?        ?         ?        
1 1 1 19 18 4  o 555.8094 14.13645 3104.293   157.1435 3104.293   157.1435 ?          ?        555.8094 14.13645 ?        ?        ?         ?        
1 1 1 19 18 5  o 53.02046 17.73299 26.66333   22.12490 26.66333   22.12490 ?          ?        53.02046 17.73299 ?        ?        ?         ?        
1 1 1 19 18 6  o 104.3799 12.77225 109.4899   26.66333 109.4899   26.66333 ?          ?        104.3799 12.77225 ?        ?        ?         ?        
1 1 1 19 18 7  o 335.4840 10.56878 1129.504   70.91312 1129.504   70.91312 ?          ?        335.4840 10.56878 ?        ?        ?         ?        
1 1 1 19 18 8  o 236.3457 8.041068 559.9300   38.00943 559.9300   38.00943 ?          ?        236.3457 8.041068 ?        ?        ?         ?        
1 1 1 19 18 9  o 90.66165 13.45338 82.82652   24.39412 82.82652   24.39412 ?          ?        90.66165 13.45338 ?        ?        ?         ?        
1 1 1 19 18 10 o 164.7195 8.265762 272.3064   27.23064 272.3064   27.23064 ?          ?        164.7195 8.265762 ?        ?        ?         ?        
1 1 1 19 18 11 o 77.16940 16.64730 62.97085   24.96142 62.97085   24.96142 ?          ?        77.16940 16.64730 ?        ?        ?         ?        
1 1 1 19 18 12 o 137.1781 10.13206 190.0471   27.79794 190.0471   27.79794 ?          ?        137.1781 10.13206 ?        ?        ?         ?        
1 1 1 19 18 13 o 90.56194 12.84177 83.96114   23.25950 83.96114   23.25950 ?          ?        90.56194 12.84177 ?        ?        ?         ?        
1 1 1 19 18 14 o 96.55183 11.45752 95.30723   22.12490 95.30723   22.12490 ?          ?        96.55183 11.45752 ?        ?        ?         ?        
1 1 1 19 18 15 o 127.5277 9.119389 166.2204   23.25950 166.2204   23.25950 ?          ?        127.5277 9.119389 ?        ?        ?         ?        
1 1 1 19 18 16 o 82.89682 12.31831 72.04772   20.42298 72.04772   20.42298 ?          ?        82.89682 12.31831 ?        ?        ?         ?        
1 1 1 19 19 0  o 300.4712 10.50679 907.1206   62.97085 907.1206   62.97085 907.1206   62.97085 300.4712 10.50679 300.4712 10.50679 -0.000000 0.000000 
1 1 1 19 19 1  f 667.8870 13.67538 4477.170   182.6722 4477.170   182.6722 ?          ?        667.8870 13.67538 ?        ?        ?         ?        
1 1 1 19 19 2  o 279.2513 7.110324 780.6117   39.71135 780.6117   39.71135 ?          ?        279.2513 7.110324 ?        ?        ?         ?        
1 1 1 19 19 3  o 460.1110 12.02150 2123.990   110.6245 2123.990   110.6245 ?          ?        460.1110 12.02150 ?        ?        ?         ?        
1 1 1 19 19 4  o 243.4345 7.340827 593.4010   35.74022 593.4010   35.74022 ?          ?        243.4345 7.340827 ?        ?        ?         ?        
1 1 1 19 19 5  o 216.0512 7.220920 467.4593   31.20177 467.4593   31.20177 ?          ?        216.0512 7.220920 ?        ?        ?         ?        
1 1 1 19 19 6  o 163.5711 9.884504 268.3353   32.33638 268.3353   32.33638 ?          ?        163.5711 9.884504 ?        ?        ?         ?        
1 1 1 19 19 7  o 465.2396 13.53514 2177.884   125.9417 2177.884   125.9417 ?          ?        465.2396 13.53514 ?        ?        ?         ?        
1 1 1 19 19 8  o 131.1099 9.519271 172.4607   24.96142 172.4607   24.96142 ?          ?        131.1099 9.519271 ?        ?        ?         ?        
1 1 1 19 19 9  o 417.3781 12.57270 1754.674   104.9514 1754.674   104.9514 ?          ?        417.3781 12.57270 ?        ?        ?         ?        
1 1 1 19 19 10 o 76.40524 18.69071 61.83624   28.36525 61.83624   28.36525 ?          ?        76.40524 18.69071 ?        ?        ?         ?        
1 1 1 19 19 11 o 189.5590 9.127926 361.3732   34.60560 361.3732   34.60560 ?          ?        189.5590 9.127926 ?        ?        ?         ?        
1 1 1 19 19 12 o 184.1380 8.934519 342.0849   32.90369 342.0849   32.90369 ?          ?        184.1380 8.934519 ?        ?        ?         ?        
1 1 1 19 19 13 o 40.95061 16.54553 8.509575   20.99029 8.509575   20.99029 ?          ?        40.95061 16.54553 ?        ?        ?         ?        
1 1 1 19 19 14 o 167.4425 8.131340 283.6525   27.23064 283.6525   27.23064 ?          ?        167.4425 8.131340 ?        ?        ?         ?        
1 1 1 19 19 15 o 135.6933 8.152534 187.2106   22.12490 187.2106   22.12490 ?          ?        135.6933 8.152534 ?        ?        ?         ?        
1 1 1 19 19 16 o 26.87025 12.59105 -15.31723  17.01915 -15.31723  17.01915 ?          ?        26.87025 12.59105 ?        ?        ?         ?        
1 1 1 19 20 0  o 657.1245 27.12173 4371.652   355.1329 4371.652   355.1329 4371.652   355.1329 657.1245 27.12173 657.1245 27.12173 -0.000000 0.000000 
1 1 1 19 20 1  o 468.3977 9.870961 2198.307   92.47070 2198.307   92.47070 ?          ?        468.3977 9.870961 ?        ?        ?         ?        
1 1 1 19 20 2  o 242.6644 6.662778 589.4299   32.33638 589.4299   32.33638 ?          ?        242.6644 6.662778 ?        ?        ?         ?        
1 1 1 19 20 3  o 330.5476 8.066412 1094.331   53.32666 1094.331   53.32666 ?          ?        330.5476 8.066412 ?        ?        ?         ?        
1 1 1 19 20 4  o 260.4284 6.970730 679.0640   36.30752 679.0640   36.30752 ?          ?        260.4284 6.970730 ?        ?        ?         ?        
1 1 1 19 20 5  f 173.4224 7.360271 301.2389   25.52872 301.2389   25.52872 ?          ?        173.4224 7.360271 ?        ?        ?         ?        
1 1 1 19 20 6  o 110.7713 10.49889 123.1052   23.25950 123.1052   23.25950 ?          ?        110.7713 10.49889 ?        ?        ?         ?        
1 1 1 19 20 7  o 138.2419 9.643727 191.7491   26.66333 191.7491   26.66333 ?          ?        138.2419 9.643727 ?        ?        ?         ?        
1 1 1 19 20 8  o 207.4858 8.886106 431.7191   36.87482 431.7191   36.87482 ?          ?        207.4858 8.886106 ?        ?        ?         ?        
1 1 1 19 20 9  o 275.7125 8.950543 763.0251   49.35553 763.0251   49.35553 ?          ?        275.7125 8.950543 ?        ?        ?         ?        
1 1 1 19 20 10 o 79.73959 19.95013 67.50929   31.76908 67.50929   31.76908 ?          ?        79.73959 19.95013 ?        ?        ?         ?        
1 1 1 19 20 11 o 138.4643 9.218519 192.8837   25.52872 192.8837   25.52872 ?          ?        138.4643 9.218519 ?        ?        ?         ?        
1 1 1 19 20 12 o 239.9861 8.391872 580.9203   40.27865 580.9203   40.27865 ?          ?        239.9861 8.391872 ?        ?        ?         ?        
1 1 1 19 20 13 o 51.67467 18.33374 24.96142   23.82681 24.96142   23.82681 ?          ?        51.67467 18.33374 ?        ?        ?         ?        
1 1 1 19 20 14 o 150.0831 8.126869 228.0566   24.39412 228.0566   24.39412 ?          ?        150.0831 8.126869 ?        ?        ?         ?        
1 1 1 19 20 15 o 96.14657 10.03071 94.73994   19.28837 94.73994   19.28837 ?          ?        96.14657 10.03071 ?        ?        ?         ?        
1 1 1 19 20 16 o 69.26802 14.40121 52.75936   19.28837 52.75936   19.28837 ?          ?        69.26802 14.40121 ?        ?        ?         ?        
1 1 1 19 21 0  o 426.6445 13.72703 1829.558   116.8648 1829.558   116.8648 1829.558   116.8648 426.6445 13.72703 426.6445 13.72703 -0.000000 0.000000 
1 1 1 19 21 1  o 176.2217 7.082390 310.8831   24.96142 310.8831   24.96142 ?          ?        176.2217 7.082390 ?        ?        ?         ?        
1 1 1 19 21 2  o 196.0187 6.656514 384.6328   26.09603 384.6328   26.09603 ?          ?        196.0187 6.656514 ?        ?        ?         ?        
1 1 1 19 21 3  o 880.5893 20.58326 7836.184   362.5079 7836.184   362.5079 ?          ?        880.5893 20.58326 ?        ?        ?         ?        
1 1 1 19 21 4  o 414.4347 9.650496 1721.771   79.99000 1721.771   79.99000 ?          ?        414.4347 9.650496 ?        ?        ?         ?        
1 1 1 19 21 5  o 430.3535 11.60042 1859.626   99.84568 1859.626   99.84568 ?          ?        430.3535 11.60042 ?        ?        ?         ?        
1 1 1 19 21 6  o 126.9683 9.829783 161.6819   24.96142 161.6819   24.96142 ?          ?        126.9683 9.829783 ?        ?        ?         ?        
1 1 1 19 21 7  o 380.2567 9.771947 1451.166   74.31695 1451.166   74.31695 ?          ?        380.2567 9.771947 ?        ?        ?         ?        
1 1 1 19 21 8  o 170.5473 8.315947 291.5948   28.36525 291.5948   28.36525 ?          ?        170.5473 8.315947 ?        ?        ?         ?        
1 1 1 19 21 9  o 277.6966 8.784449 773.8040   48.78823 773.8040   48.78823 ?          ?        277.6966 8.784449 ?        ?        ?         ?        
1 1 1 19 21 10 f 69.54482 18.74368 51.05745   26.66333 51.05745   26.66333 ?          ?        69.54482 18.74368 ?        ?        ?         ?        
1 1 1 19 21 11 o 265.9615 9.598655 712.5350   51.05745 712.5350   51.05745 ?          ?        265.9615 9.598655 ?        ?        ?         ?        
1 1 1 19 21 12 o 59.15891 17.76439 36.87482   22.69220 36.87482   22.69220 ?          ?        59.15891 17.76439 ?        ?        ?         ?        
1 1 1 19 21 13 o 210.3779 7.550477 446.4690   31.76908 446.4690   31.76908 ?          ?        210.3779 7.550477 ?        ?        ?         ?        
1 1 1 19 21 14 o 155.2437 7.673999 243.9411   23.82681 243.9411   23.82681 ?          ?        155.2437 7.673999 ?        ?        ?         ?        
1 1 1 19 21 15 o 57.87450 15.75431 36.87482   18.72106 36.87482   18.72106 ?          ?        57.87450 15.75431 ?        ?        ?         ?        
1 1 1 19 21 16 o 172.2005 7.412501 301.8062   25.52872 301.8062   25.52872 ?          ?        172.2005 7.412501 ?        ?        ?         ?        
1 1 1 19 22 0  o 375.8458 13.09114 1420.532   98.14376 1420.532   98.14376 1420.532   98.14376 375.8458 13.09114 375.8458 13.09114 -0.000000 0.000000 
1 1 1 19 22 1  f 190.7373 6.840830 364.2098   26.09603 364.2098   26.09603 ?          ?        190.7373 6.840830 ?        ?        ?         ?        
1 1 1 19 22 2  o 144.3784 7.858583 208.7682   22.69220 208.7682   22.69220 ?          ?        144.3784 7.858583 ?        ?        ?         ?        
1 1 1 19 22 3  o 306.1787 7.781994 938.8898   47.65361 938.8898   47.65361 ?          ?        306.1787 7.781994 ?        ?        ?         ?        
1 1 1 19 22 4  o 240.8517 7.066236 580.9203   34.03830 580.9203   34.03830 ?          ?        240.8517 7.066236 ?        ?        ?         ?        
1 1 1 19 22 5  o 81.25657 13.26514 66.37468   21.55759 66.37468   21.55759 ?          ?        81.25657 13.26514 ?        ?        ?         ?        
1 1 1 19 22 6  o 93.85612 12.08882 88.49958   22.69220 88.49958   22.69220 ?          ?        93.85612 12.08882 ?        ?        ?         ?        
1 1 1 19 22 7  o 534.0513 14.07504 2873.400   150.3358 2873.400   150.3358 ?          ?        534.0513 14.07504 ?        ?        ?         ?        
1 1 1 19 22 8  o 166.1820 8.022326 276.8448   26.66333 276.8448   26.66333 ?          ?        166.1820 8.022326 ?        ?        ?         ?        
1 1 1 19 22 9  o 138.7793 10.01516 193.4510   27.79794 193.4510   27.79794 ?          ?        138.7793 10.01516 ?        ?        ?         ?        
1 1 1 19 22 10 o 112.5402 10.83795 127.6436   24.39412 127.6436   24.39412 ?          ?        112.5402 10.83795 ?        ?        ?         ?        
1 1 1 19 22 11 o 61.46332 18.92048 39.14404   25.52872 39.14404   25.52872 ?          ?        61.46332 18.92048 ?        ?        ?         ?        
1 1 1 19 22 12 o 244.2785 10.10231 604.1797   49.35553 604.1797   49.35553 ?          ?        244.2785 10.10231 ?        ?        ?         ?        
1 1 1 19 22 13 o 172.7332 7.718070 301.2389   26.66333 301.2389   26.66333 ?          ?        172.7332 7.718070 ?        ?        ?         ?        
1 1 1 19 22 14 o 173.3259 7.364370 304.0754   25.52872 304.0754   25.52872 ?          ?        173.3259 7.364370 ?        ?        ?         ?        
1 1 1 19 22 15 o 117.3192 8.945803 140.6916   20.99029 140.6916   20.99029 ?          ?        117.3192 8.945803 ?        ?        ?         ?        
1 1 1 19 22 16 o 92.36224 9.520370 87.93227   17.58645 87.93227   17.58645 ?          ?        92.36224 9.520370 ?        ?        ?         ?        
1 1 1 19 23 0  o 222.8872 9.969378 500.3629   44.24979 500.3629   44.24979 500.3629   44.24979 222.8872 9.969378 222.8872 9.969378 -0.000000 0.000000 
1 1 1 19 23 1  o 702.3937 15.46695 4962.784   217.2778 4962.784   217.2778 ?          ?        702.3937 15.46695 ?        ?        ?         ?        
1 1 1 19 23 2  o 170.6415 7.480221 291.5948   25.52872 291.5948   25.52872 ?          ?        170.6415 7.480221 ?        ?        ?         ?        
1 1 1 19 23 3  f 175.3901 7.277697 308.0466   25.52872 308.0466   25.52872 ?          ?        175.3901 7.277697 ?        ?        ?         ?        
1 1 1 19 23 4  o 302.2292 7.695982 915.0629   46.51900 915.0629   46.51900 ?          ?        302.2292 7.695982 ?        ?        ?         ?        
1 1 1 19 23 5  o 145.7311 7.590999 212.7394   22.12490 212.7394   22.12490 ?          ?        145.7311 7.590999 ?        ?        ?         ?        
1 1 1 19 23 6  o 165.7137 7.531491 275.1429   24.96142 275.1429   24.96142 ?          ?        165.7137 7.531491 ?        ?        ?         ?        
1 1 1 19 23 7  o 714.9421 18.36947 5174.388   262.6622 5174.388   262.6622 ?          ?        714.9421 18.36947 ?        ?        ?         ?        
1 1 1 19 23 8  o 37.95603 16.16222 0.000000   21.55759 0.000000   21.55759 ?          ?        37.95603 16.16222 ?        ?        ?         ?        
1 1 1 19 23 9  o 241.4901 9.984037 586.0261   48.22092 586.0261   48.22092 ?          ?        241.4901 9.984037 ?        ?        ?         ?        
1 1 1 19 23 10 o 246.9152 7.581982 612.1221   37.44213 612.1221   37.44213 ?          ?        246.9152 7.581982 ?        ?        ?         ?        
1 1 1 19 23 11 o 380.4301 10.66222 1461.945   81.12460 1461.945   81.12460 ?          ?        380.4301 10.66222 ?        ?        ?         ?        
1 1 1 19 23 12 o 178.8930 8.403673 322.7965   30.06716 322.7965   30.06716 ?          ?        178.8930 8.403673 ?        ?        ?         ?        
1 1 1 19 23 13 o 190.1607 7.905725 365.3444   30.06716 365.3444   30.06716 ?          ?        190.1607 7.905725 ?        ?        ?         ?        
1 1 1 19 23 14 o 38.56380 15.91050 6.240355   19.85567 6.240355   19.85567 ?          ?        38.56380 15.91050 ?        ?        ?         ?        
1 1 1 19 23 15 o 159.7310 7.635999 259.2584   24.39412 259.2584   24.39412 ?          ?        159.7310 7.635999 ?        ?        ?         ?        
1 1 1 19 23 16 o 143.7051 7.895405 211.0374   22.69220 211.0374   22.69220 ?          ?        143.7051 7.895405 ?        ?        ?         ?        
1 1 1 19 24 0  o 121.4046 12.87335 152.6050   30.63447 152.6050   30.63447 152.6050   30.63447 121.4046 12.87335 121.4046 12.87335 -0.000000 0.000000 
1 1 1 19 24 1  o 638.6154 15.05729 4101.615   192.3164 4101.615   192.3164 ?          ?        638.6154 15.05729 ?        ?        ?         ?        
1 1 1 19 24 2  o 265.0570 7.063032 703.4582   37.44213 703.4582   37.44213 ?          ?        265.0570 7.063032 ?        ?        ?         ?        
1 1 1 19 24 3  o 230.3938 7.017633 531.5648   32.33638 531.5648   32.33638 ?          ?        230.3938 7.017633 ?        ?        ?         ?        
1 1 1 19 24 4  o 112.5882 9.069769 127.0763   20.42298 127.0763   20.42298 ?          ?        112.5882 9.069769 ?        ?        ?         ?        
1 1 1 19 24 5  o 44.64307 16.42946 15.88454   19.28837 15.88454   19.28837 ?          ?        44.64307 16.42946 ?        ?        ?         ?        
1 1 1 19 24 6  o 192.2934 7.080493 370.4502   27.23064 370.4502   27.23064 ?          ?        192.2934 7.080493 ?        ?        ?         ?        
1 1 1 19 24 7  o 494.4696 13.02185 2459.834   128.7782 2459.834   128.7782 ?          ?        494.4696 13.02185 ?        ?        ?         ?        
1 1 1 19 24 8  f 282.7366 7.724943 801.6019   43.68248 801.6019   43.68248 ?          ?        282.7366 7.724943 ?        ?        ?         ?        
1 1 1 19 24 9  o 356.5436 10.42186 1278.705   74.31695 1278.705   74.31695 ?          ?        356.5436 10.42186 ?        ?        ?         ?        
1 1 1 19 24 10 o 55.83679 17.94184 31.20177   22.69220 31.20177   22.69220 ?          ?        55.83679 17.94184 ?        ?        ?         ?        
1 1 1 19 24 11 o 105.9798 10.70590 113.4610   22.69220 113.4610   22.69220 ?          ?        105.9798 10.70590 ?        ?        ?         ?        
1 1 1 19 24 12 o 172.3790 9.543996 300.6716   32.90369 300.6716   32.90369 ?          ?        172.3790 9.543996 ?        ?        ?         ?        
1 1 1 19 24 13 o 99.82590 12.21833 102.1149   24.39412 102.1149   24.39412 ?          ?        99.82590 12.21833 ?        ?        ?         ?        
1 1 1 19 24 14 o 148.1313 8.425439 222.9509   24.96142 222.9509   24.96142 ?          ?        148.1313 8.425439 ?        ?        ?         ?        
1 1 1 19 24 15 o 223.3975 7.618327 507.1707   34.03830 507.1707   34.03830 ?          ?        223.3975 7.618327 ?        ?        ?         ?        
1 1 1 19 24 16 o 41.48722 16.33145 13.04801   19.85567 13.04801   19.85567 ?          ?        41.48722 16.33145 ?        ?        ?         ?        
1 1 1 19 25 0  o 165.8047 11.22446 279.1140   36.87482 279.1140   36.87482 279.1140   36.87482 165.8047 11.22446 165.8047 11.22446 -0.000000 0.000000 
1 1 1 19 25 1  o 303.7573 7.750647 924.1398   47.08631 924.1398   47.08631 ?          ?        303.7573 7.750647 ?        ?        ?         ?        
1 1 1 19 25 2  o 270.8420 7.331091 734.6599   39.71135 734.6599   39.71135 ?          ?        270.8420 7.331091 ?        ?        ?         ?        
1 1 1 19 25 3  o 308.2551 7.729574 951.9377   47.65361 951.9377   47.65361 ?          ?        308.2551 7.729574 ?        ?        ?         ?        
1 1 1 19 25 4  o 249.6107 7.272828 624.0355   36.30752 624.0355   36.30752 ?          ?        249.6107 7.272828 ?        ?        ?         ?        
1 1 1 19 25 5  o 153.2750 8.142691 235.4316   24.96142 235.4316   24.96142 ?          ?        153.2750 8.142691 ?        ?        ?         ?        
1 1 1 19 25 6  o 405.5781 11.05018 1652.559   89.63419 1652.559   89.63419 ?          ?        405.5781 11.05018 ?        ?        ?         ?        
1 1 1 19 25 7  o 459.7098 12.40220 2125.125   114.0283 2125.125   114.0283 ?          ?        459.7098 12.40220 ?        ?        ?         ?        
1 1 1 19 25 8  o 231.2205 7.728600 536.1032   35.74022 536.1032   35.74022 ?          ?        231.2205 7.728600 ?        ?        ?         ?        
1 1 1 19 25 9  o 358.0495 10.29881 1289.484   73.74965 1289.484   73.74965 ?          ?        358.0495 10.29881 ?        ?        ?         ?        
1 1 1 19 25 10 o 165.8649 7.866652 276.2775   26.09603 276.2775   26.09603 ?          ?        165.8649 7.866652 ?        ?        ?         ?        
1 1 1 19 25 11 o 310.1920 10.42463 972.9280   64.67276 972.9280   64.67276 ?          ?        310.1920 10.42463 ?        ?        ?         ?        
1 1 1 19 25 12 o 195.0686 7.415993 383.4982   28.93255 383.4982   28.93255 ?          ?        195.0686 7.415993 ?        ?        ?         ?        
1 1 1 19 25 13 o 157.9496 8.440456 252.4507   26.66333 252.4507   26.66333 ?          ?        157.9496 8.440456 ?        ?        ?         ?        
1 1 1 19 25 14 o 38.82033 16.44563 3.403830   22.12490 3.403830   22.12490 ?          ?        38.82033 16.44563 ?        ?        ?         ?        
1 1 1 19 25 15 o 114.5355 9.906187 135.0186   22.69220 135.0186   22.69220 ?          ?        114.5355 9.906187 ?        ?        ?         ?        
1 1 1 19 26 0  o 28.15292 18.84315 -7.942269  28.36525 -7.942269  28.36525 -7.942269  28.36525 28.15292 18.84315 28.15292 18.84315 -0.000000 0.000000 
1 1 1 19 26 1  o 219.0389 7.251925 480.5073   31.76908 480.5073   31.76908 ?          ?        219.0389 7.251925 ?        ?        ?         ?        
1 1 1 19 26 2  o 252.9937 7.175579 641.0546   36.30752 641.0546   36.30752 ?          ?        252.9937 7.175579 ?        ?        ?         ?        
1 1 1 19 26 3  f 95.10799 10.73673 90.76879   20.42298 90.76879   20.42298 ?          ?        95.10799 10.73673 ?        ?        ?         ?        
1 1 1 19 26 4  o 183.5727 7.416855 337.5464   27.23064 337.5464   27.23064 ?          ?        183.5727 7.416855 ?        ?        ?         ?        
1 1 1 19 26 5  o 354.3418 9.365911 1259.417   66.37468 1259.417   66.37468 ?          ?        354.3418 9.365911 ?        ?        ?         ?        
1 1 1 19 26 6  o 56.84462 17.90738 32.33638   22.69220 32.33638   22.69220 ?          ?        56.84462 17.90738 ?        ?        ?         ?        
1 1 1 19 26 7  o 44.48197 17.30280 12.48071   22.12490 12.48071   22.12490 ?          ?        44.48197 17.30280 ?        ?        ?         ?        
1 1 1 19 26 8  o 134.8305 10.51886 182.6722   28.36525 182.6722   28.36525 ?          ?        134.8305 10.51886 ?        ?        ?         ?        
1 1 1 19 26 9  f 50.85420 17.90709 23.25950   22.69220 23.25950   22.69220 ?          ?        50.85420 17.90709 ?        ?        ?         ?        
1 1 1 19 26 10 o 76.14280 14.30994 60.70163   20.99029 60.70163   20.99029 ?          ?        76.14280 14.30994 ?        ?        ?         ?        
1 1 1 19 26 11 o 165.6469 7.534524 276.2775   24.96142 276.2775   24.96142 ?          ?        165.6469 7.534524 ?        ?        ?         ?        
1 1 1 19 26 12 o 34.61033 15.49243 -8.509575  22.12490 -8.509575  22.12490 ?          ?        34.61033 15.49243 ?        ?        ?         ?        
1 1 1 19 26 13 f 153.0982 11.11649 239.4027   34.03830 239.4027   34.03830 ?          ?        153.0982 11.11649 ?        ?        ?         ?        
1 1 1 19 26 14 o 54.91760 18.62022 31.76908   24.39412 31.76908   24.39412 ?          ?        54.91760 18.62022 ?        ?        ?         ?        
1 1 1 19 26 15 o 56.62778 16.20441 35.74022   19.28837 35.74022   19.28837 ?          ?        56.62778 16.20441 ?        ?        ?         ?        
1 1 1 19 27 0  o 171.8497 10.31065 298.9697   35.17290 298.9697   35.17290 298.9697   35.17290 171.8497 10.31065 171.8497 10.31065 -0.000000 0.000000 
1 1 1 19 27 1  f 247.4501 7.107069 613.2567   35.17290 613.2567   35.17290 ?          ?        247.4501 7.107069 ?        ?        ?         ?        
1 1 1 19 27 2  o 670.8890 14.75575 4530.497   197.9895 4530.497   197.9895 ?          ?        670.8890 14.75575 ?        ?        ?         ?        
1 1 1 19 27 3  o 92.02912 12.63703 85.09574   23.25950 85.09574   23.25950 ?          ?        92.02912 12.63703 ?        ?        ?         ?        
1 1 1 19 27 4  o 386.6875 9.316016 1499.387   72.04772 1499.387   72.04772 ?          ?        386.6875 9.316016 ?        ?        ?         ?        
1 1 1 19 27 5  o 497.3438 13.06067 2489.334   129.9128 2489.334   129.9128 ?          ?        497.3438 13.06067 ?        ?        ?         ?        
1 1 1 19 27 6  o 218.3424 7.404970 477.6707   32.33638 477.6707   32.33638 ?          ?        218.3424 7.404970 ?        ?        ?         ?        
1 1 1 19 27 7  o 182.0908 7.788765 332.4407   28.36525 332.4407   28.36525 ?          ?        182.0908 7.788765 ?        ?        ?         ?        
1 1 1 19 27 8  o 257.9291 7.698113 667.1506   39.71135 667.1506   39.71135 ?          ?        257.9291 7.698113 ?        ?        ?         ?        
1 1 1 19 27 9  o 193.1030 7.785266 374.4213   30.06716 374.4213   30.06716 ?          ?        193.1030 7.785266 ?        ?        ?         ?        
1 1 1 19 27 10 o 114.7093 10.13846 132.7494   23.25950 132.7494   23.25950 ?          ?        114.7093 10.13846 ?        ?        ?         ?        
1 1 1 19 27 11 o 135.9989 8.551358 186.6433   23.25950 186.6433   23.25950 ?          ?        135.9989 8.551358 ?        ?        ?         ?        
1 1 1 19 27 12 o 139.7464 8.525014 197.4221   23.82681 197.4221   23.82681 ?          ?        139.7464 8.525014 ?        ?        ?         ?        
1 1 1 19 27 13 o 125.5769 8.809299 159.9800   22.12490 159.9800   22.12490 ?          ?        125.5769 8.809299 ?        ?        ?         ?        
1 1 1 19 27 14 o 61.19768 18.42696 41.41326   24.39412 41.41326   24.39412 ?          ?        61.19768 18.42696 ?        ?        ?         ?        
1 1 1 19 27 15 o 49.37583 16.79904 25.52872   19.85567 25.52872   19.85567 ?          ?        49.37583 16.79904 ?        ?        ?         ?        
1 1 1 19 28 0  o 170.8674 11.05122 296.1332   37.44213 296.1332   37.44213 296.1332   37.44213 170.8674 11.05122 170.8674 11.05122 -0.000000 0.000000 
1 1 1 19 28 1  o 671.8142 14.94654 4543.545   200.8260 4543.545   200.8260 ?          ?        671.8142 14.94654 ?        ?        ?         ?        
1 1 1 19 28 2  o 226.7648 7.630284 515.1129   34.60560 515.1129   34.60560 ?          ?        226.7648 7.630284 ?        ?        ?         ?        
1 1 1 19 28 3  o 195.0871 7.415293 381.2289   28.93255 381.2289   28.93255 ?          ?        195.0871 7.415293 ?        ?        ?         ?        
1 1 1 19 28 4  o 225.2484 7.303868 508.3052   32.90369 508.3052   32.90369 ?          ?        225.2484 7.303868 ?        ?        ?         ?        
1 1 1 19 28 5  o 82.55876 13.74306 68.64390   22.69220 68.64390   22.69220 ?          ?        82.55876 13.74306 ?        ?        ?         ?        
1 1 1 19 28 6  o 158.8714 8.212939 253.0180   26.09603 253.0180   26.09603 ?          ?        158.8714 8.212939 ?        ?        ?         ?        
1 1 1 19 28 7  o 317.2807 8.135502 1009.803   51.62476 1009.803   51.62476 ?          ?        317.2807 8.135502 ?        ?        ?         ?        
1 1 1 19 28 8  o 75.21720 14.09684 58.99971   20.42298 58.99971   20.42298 ?          ?        75.21720 14.09684 ?        ?        ?         ?        
1 1 1 19 28 9  o 30.62044 14.34971 -22.12490  22.12490 -22.12490  22.12490 ?          ?        30.62044 14.34971 ?        ?        ?         ?        
1 1 1 19 28 10 o 60.07664 17.11198 38.00943   21.55759 38.00943   21.55759 ?          ?        60.07664 17.11198 ?        ?        ?         ?        
1 1 1 19 28 11 o 129.1026 9.447570 168.4896   24.39412 168.4896   24.39412 ?          ?        129.1026 9.447570 ?        ?        ?         ?        
1 1 1 19 28 12 o 216.9788 7.320780 474.8342   31.76908 474.8342   31.76908 ?          ?        216.9788 7.320780 ?        ?        ?         ?        
1 1 1 19 28 13 o 191.1732 7.567104 369.8828   28.93255 369.8828   28.93255 ?          ?        191.1732 7.567104 ?        ?        ?         ?        
1 1 1 19 28 14 o 44.89987 17.16903 16.45185   21.55759 16.45185   21.55759 ?          ?        44.89987 17.16903 ?        ?        ?         ?        
1 1 1 19 28 15 o 158.7378 8.755932 258.1238   27.79794 258.1238   27.79794 ?          ?        158.7378 8.755932 ?        ?        ?         ?        
1 1 1 19 29 0  o 67.56446 23.68127 60.13433   28.93255 60.13433   28.93255 60.13433   28.93255 67.56446 23.68127 67.56446 23.68127 -0.000000 0.000000 
1 1 1 19 29 1  o 211.6569 7.504854 448.7382   31.76908 448.7382   31.76908 ?          ?        211.6569 7.504854 ?        ?        ?         ?        
1 1 1 19 29 2  o 726.9699 16.19266 5326.994   235.4316 5326.994   235.4316 ?          ?        726.9699 16.19266 ?        ?        ?         ?        
1 1 1 19 29 3  o 72.48738 15.70389 55.02858   22.12490 55.02858   22.12490 ?          ?        72.48738 15.70389 ?        ?        ?         ?        
1 1 1 19 29 4  o 58.64433 17.52701 35.17290   22.12490 35.17290   22.12490 ?          ?        58.64433 17.52701 ?        ?        ?         ?        
1 1 1 19 29 5  o 91.71046 11.75307 84.52843   21.55759 84.52843   21.55759 ?          ?        91.71046 11.75307 ?        ?        ?         ?        
1 1 1 19 29 6  o 202.9988 7.545482 412.9980   30.63447 412.9980   30.63447 ?          ?        202.9988 7.545482 ?        ?        ?         ?        
1 1 1 19 29 7  o 183.1621 7.898073 336.4118   28.93255 336.4118   28.93255 ?          ?        183.1621 7.898073 ?        ?        ?         ?        
1 1 1 19 29 8  o 111.1273 10.46525 124.2398   23.25950 124.2398   23.25950 ?          ?        111.1273 10.46525 ?        ?        ?         ?        
1 1 1 19 29 9  o 270.8838 9.843087 738.6310   53.32666 738.6310   53.32666 ?          ?        270.8838 9.843087 ?        ?        ?         ?        
1 1 1 19 29 10 o 165.1292 7.386371 274.0083   24.39412 274.0083   24.39412 ?          ?        165.1292 7.386371 ?        ?        ?         ?        
1 1 1 19 29 11 f 197.9253 7.165645 394.2770   28.36525 394.2770   28.36525 ?          ?        197.9253 7.165645 ?        ?        ?         ?        
1 1 1 19 29 12 o 25.83440 12.46465 -28.93255  19.28837 -28.93255  19.28837 ?          ?        25.83440 12.46465 ?        ?        ?         ?        
1 1 1 19 29 13 o 168.4987 7.575349 287.6236   25.52872 287.6236   25.52872 ?          ?        168.4987 7.575349 ?        ?        ?         ?        
1 1 1 19 29 14 o 159.5912 8.531372 259.8257   27.23064 259.8257   27.23064 ?          ?        159.5912 8.531372 ?        ?        ?         ?        
1 1 1 19 29 15 o 102.4895 11.34726 109.4899   23.25950 109.4899   23.25950 ?          ?        102.4895 11.34726 ?        ?        ?         ?        
1 1 1 19 30 0  o 262.4794 10.30078 693.2466   53.89397 693.2466   53.89397 693.2466   53.89397 262.4794 10.30078 262.4794 10.30078 -0.000000 0.000000 
1 1 1 19 30 1  o 259.4999 7.323593 674.5256   38.00943 674.5256   38.00943 ?          ?        259.4999 7.323593 ?        ?        ?         ?        
1 1 1 19 30 2  o 285.9270 7.837157 819.1884   44.81709 819.1884   44.81709 ?          ?        285.9270 7.837157 ?        ?        ?         ?        
1 1 1 19 30 3  o 255.1569 7.559414 652.4007   38.57674 652.4007   38.57674 ?          ?        255.1569 7.559414 ?        ?        ?         ?        
1 1 1 19 30 4  o 169.8825 8.181522 289.3255   27.79794 289.3255   27.79794 ?          ?        169.8825 8.181522 ?        ?        ?         ?        
1 1 1 19 30 5  o 120.5456 9.647593 145.7974   23.25950 145.7974   23.25950 ?          ?        120.5456 9.647593 ?        ?        ?         ?        
1 1 1 19 30 6  o 75.48094 15.18971 59.56702   22.12490 59.56702   22.12490 ?          ?        75.48094 15.18971 ?        ?        ?         ?        
1 1 1 19 30 7  o 536.2021 13.11927 2897.794   140.6916 2897.794   140.6916 ?          ?        536.2021 13.11927 ?        ?        ?         ?        
1 1 1 19 30 8  o 408.9263 9.780492 1682.059   79.99000 1682.059   79.99000 ?          ?        408.9263 9.780492 ?        ?        ?         ?        
1 1 1 19 30 9  o 170.6909 9.638386 293.2967   32.90369 293.2967   32.90369 ?          ?        170.6909 9.638386 ?        ?        ?         ?        
1 1 1 19 30 10 o 114.1417 9.691854 131.6148   22.12490 131.6148   22.12490 ?          ?        114.1417 9.691854 ?        ?        ?         ?        
1 1 1 19 30 11 o 123.2244 9.437861 153.7396   23.25950 153.7396   23.25950 ?          ?        123.2244 9.437861 ?        ?        ?         ?        
1 1 1 19 30 12 o 39.71407 16.07308 7.942269   19.85567 7.942269   19.85567 ?          ?        39.71407 16.07308 ?        ?        ?         ?        
1 1 1 19 30 13 o 173.6521 7.350535 305.2101   25.52872 305.2101   25.52872 ?          ?        173.6521 7.350535 ?        ?        ?         ?        
1 1 1 19 30 14 f 54.16510 17.24097 31.76908   20.99029 31.76908   20.99029 ?          ?        54.16510 17.24097 ?        ?        ?         ?        
1 1 1 19 30 15 o 115.6694 9.318621 137.8551   21.55759 137.8551   21.55759 ?          ?        115.6694 9.318621 ?        ?        ?         ?        
1 1 1 19 31 0  o 410.4595 13.71660 1695.674   112.3264 1695.674   112.3264 1695.674   112.3264 410.4595 13.71660 410.4595 13.71660 -0.000000 0.000000 
1 1 1 19 31 1  o 238.8900 7.717949 571.8434   36.87482 571.8434   36.87482 ?          ?        238.8900 7.717949 ?        ?        ?         ?        
1 1 1 19 31 2  o 256.3849 7.412572 658.6411   38.00943 658.6411   38.00943 ?          ?        256.3849 7.412572 ?        ?        ?         ?        
1 1 1 19 31 3  o 150.8370 7.898197 228.0566   23.82681 228.0566   23.82681 ?          ?        150.8370 7.898197 ?        ?        ?         ?        
1 1 1 19 31 4  o 79.86724 17.18476 66.94199   26.66333 66.94199   26.66333 ?          ?        79.86724 17.18476 ?        ?        ?         ?        
1 1 1 19 31 5  o 207.1379 7.668580 430.0172   31.76908 430.0172   31.76908 ?          ?        207.1379 7.668580 ?        ?        ?         ?        
1 1 1 19 31 6  o 106.7820 10.35984 114.5956   22.12490 114.5956   22.12490 ?          ?        106.7820 10.35984 ?        ?        ?         ?        
1 1 1 19 31 7  o 55.22788 17.95890 30.06716   22.69220 30.06716   22.69220 ?          ?        55.22788 17.95890 ?        ?        ?         ?        
1 1 1 19 31 8  o 158.1222 8.610631 251.3161   27.23064 251.3161   27.23064 ?          ?        158.1222 8.610631 ?        ?        ?         ?        
1 1 1 19 31 9  o 73.90672 15.81170 57.86510   22.69220 57.86510   22.69220 ?          ?        73.90672 15.81170 ?        ?        ?         ?        
1 1 1 19 31 10 o 144.0124 9.848200 209.9028   28.36525 209.9028   28.36525 ?          ?        144.0124 9.848200 ?        ?        ?         ?        
1 1 1 19 31 11 o 198.7903 7.277156 398.2480   28.93255 398.2480   28.93255 ?          ?        198.7903 7.277156 ?        ?        ?         ?        
1 1 1 19 31 12 o 30.48967 14.03920 -14.18262  19.85567 -14.18262  19.85567 ?          ?        30.48967 14.03920 ?        ?        ?         ?        
1 1 1 19 31 13 o 61.14735 17.30975 41.41326   22.12490 41.41326   22.12490 ?          ?        61.14735 17.30975 ?        ?        ?         ?        
1 1 1 19 31 14 f 81.07471 14.52004 71.48043   22.69220 71.48043   22.69220 ?          ?        81.07471 14.52004 ?        ?        ?         ?        
1 1 1 19 31 15 o 99.46750 12.54753 104.3841   24.96142 104.3841   24.96142 ?          ?        99.46750 12.54753 ?        ?        ?         ?        
1 1 1 19 32 0  o 183.9198 11.03244 342.6522   40.27865 342.6522   40.27865 342.6522   40.27865 183.9198 11.03244 183.9198 11.03244 -0.000000 0.000000 
1 1 1 19 32 1  o 245.1027 7.175138 601.9106   35.17290 601.9106   35.17290 ?          ?        245.1027 7.175138 ?        ?        ?         ?        
1 1 1 19 32 2  o 176.1192 7.730741 310.8831   27.23064 310.8831   27.23064 ?          ?        176.1192 7.730741 ?        ?        ?         ?        
1 1 1 19 32 3  o 183.2229 7.585828 336.4118   27.79794 336.4118   27.79794 ?          ?        183.2229 7.585828 ?        ?        ?         ?        
1 1 1 19 32 4  o 408.4362 11.66733 1676.386   95.30723 1676.386   95.30723 ?          ?        408.4362 11.66733 ?        ?        ?         ?        
1 1 1 19 32 5  f 212.7813 7.465196 453.8440   31.76908 453.8440   31.76908 ?          ?        212.7813 7.465196 ?        ?        ?         ?        
1 1 1 19 32 6  o 241.8898 7.622235 586.5934   36.87482 586.5934   36.87482 ?          ?        241.8898 7.622235 ?        ?        ?         ?        
1 1 1 19 32 7  o 186.6295 7.751332 349.4599   28.93255 349.4599   28.93255 ?          ?        186.6295 7.751332 ?        ?        ?         ?        
1 1 1 19 32 8  o 139.7199 8.932666 196.2875   24.96142 196.2875   24.96142 ?          ?        139.7199 8.932666 ?        ?        ?         ?        
1 1 1 19 32 9  o 370.7733 9.792376 1386.493   72.61504 1386.493   72.61504 ?          ?        370.7733 9.792376 ?        ?        ?         ?        
1 1 1 19 32 10 o 116.6674 10.21143 137.8551   23.82681 137.8551   23.82681 ?          ?        116.6674 10.21143 ?        ?        ?         ?        
1 1 1 19 32 11 o 210.1529 7.423588 445.3344   31.20177 445.3344   31.20177 ?          ?        210.1529 7.423588 ?        ?        ?         ?        
1 1 1 19 32 12 o 192.4421 7.222416 373.8540   27.79794 373.8540   27.79794 ?          ?        192.4421 7.222416 ?        ?        ?         ?        
1 1 1 19 32 13 o 83.39841 12.92446 72.61504   21.55759 72.61504   21.55759 ?          ?        83.39841 12.92446 ?        ?        ?         ?        
1 1 1 19 32 14 o 102.8906 10.47598 109.4899   21.55759 109.4899   21.55759 ?          ?        102.8906 10.47598 ?        ?        ?         ?        
1 1 1 19 33 0  o 326.0678 13.00669 1071.639   84.52843 1071.639   84.52843 1071.639   84.52843 326.0678 13.00669 326.0678 13.00669 -0.000000 0.000000 
1 1 1 19 33 1  o 306.8387 8.412359 943.9954   51.62476 943.9954   51.62476 ?          ?        306.8387 8.412359 ?        ?        ?         ?        
1 1 1 19 33 2  o 211.4753 7.645427 448.1709   32.33638 448.1709   32.33638 ?          ?        211.4753 7.645427 ?        ?        ?         ?        
1 1 1 19 33 3  o 99.40714 11.41377 99.27837   22.69220 99.27837   22.69220 ?          ?        99.40714 11.41377 ?        ?        ?         ?        
1 1 1 19 33 4  o 255.6761 7.765948 655.2372   39.71135 655.2372   39.71135 ?          ?        255.6761 7.765948 ?        ?        ?         ?        
1 1 1 19 33 5  o 318.9645 8.181482 1020.582   52.19205 1020.582   52.19205 ?          ?        318.9645 8.181482 ?        ?        ?         ?        
1 1 1 19 33 6  o 170.8368 7.803744 292.7294   26.66333 292.7294   26.66333 ?          ?        170.8368 7.803744 ?        ?        ?         ?        
1 1 1 19 33 7  o 229.3021 7.422151 527.5936   34.03830 527.5936   34.03830 ?          ?        229.3021 7.422151 ?        ?        ?         ?        
1 1 1 19 33 8  o 157.4693 7.925804 249.0469   24.96142 249.0469   24.96142 ?          ?        157.4693 7.925804 ?        ?        ?         ?        
1 1 1 19 33 9  o 141.7843 9.002661 202.5279   25.52872 202.5279   25.52872 ?          ?        141.7843 9.002661 ?        ?        ?         ?        
1 1 1 19 33 10 o 47.44323 17.37787 19.28837   21.55759 19.28837   21.55759 ?          ?        47.44323 17.37787 ?        ?        ?         ?        
1 1 1 19 33 11 o 28.24577 13.39961 -23.82681  20.42298 -23.82681  20.42298 ?          ?        28.24577 13.39961 ?        ?        ?         ?        
1 1 1 19 33 12 f 42.22545 16.21300 13.61532   19.28837 13.61532   19.28837 ?          ?        42.22545 16.21300 ?        ?        ?         ?        
1 1 1 19 33 13 o 126.9585 9.160275 164.5184   23.25950 164.5184   23.25950 ?          ?        126.9585 9.160275 ?        ?        ?         ?        
1 1 1 19 33 14 o 26.13212 12.69663 -33.47099  20.99029 -33.47099  20.99029 ?          ?        26.13212 12.69663 ?        ?        ?         ?        
1 1 1 19 34 0  o 465.6862 15.26366 2184.691   141.8262 2184.691   141.8262 2184.691   141.8262 465.6862 15.26366 465.6862 15.26366 -0.000000 0.000000 
1 1 1 19 34 1  o 133.0144 10.02272 177.5665   26.66333 177.5665   26.66333 ?          ?        133.0144 10.02272 ?        ?        ?         ?        
1 1 1 19 34 2  o 271.0531 7.953273 736.3619   43.11518 736.3619   43.11518 ?          ?        271.0531 7.953273 ?        ?        ?         ?        
1 1 1 19 34 3  o 180.6972 8.162789 327.3350   29.49986 327.3350   29.49986 ?          ?        180.6972 8.162789 ?        ?        ?         ?        
1 1 1 19 34 4  o 100.1858 11.60819 100.9803   23.25950 100.9803   23.25950 ?          ?        100.1858 11.60819 ?        ?        ?         ?        
1 1 1 19 34 5  o 116.4054 10.47809 136.1532   24.39412 136.1532   24.39412 ?          ?        116.4054 10.47809 ?        ?        ?         ?        
1 1 1 19 34 6  o 253.7841 7.712075 646.1603   39.14404 646.1603   39.14404 ?          ?        253.7841 7.712075 ?        ?        ?         ?        
1 1 1 19 34 7  o 165.8420 8.038774 276.2775   26.66333 276.2775   26.66333 ?          ?        165.8420 8.038774 ?        ?        ?         ?        
1 1 1 19 34 8  o 157.2099 8.119309 248.4796   25.52872 248.4796   25.52872 ?          ?        157.2099 8.119309 ?        ?        ?         ?        
1 1 1 19 34 9  o 196.5094 7.361623 388.6039   28.93255 388.6039   28.93255 ?          ?        196.5094 7.361623 ?        ?        ?         ?        
1 1 1 19 34 10 o 152.7613 7.984388 235.4316   24.39412 235.4316   24.39412 ?          ?        152.7613 7.984388 ?        ?        ?         ?        
1 1 1 19 34 11 o 188.2048 8.590743 358.5367   32.33638 358.5367   32.33638 ?          ?        188.2048 8.590743 ?        ?        ?         ?        
1 1 1 19 34 12 o 34.17286 15.29467 -7.374964  21.55759 -7.374964  21.55759 ?          ?        34.17286 15.29467 ?        ?        ?         ?        
1 1 1 19 34 13 o 167.6120 7.615421 285.3544   25.52872 285.3544   25.52872 ?          ?        167.6120 7.615421 ?        ?        ?         ?        
1 1 1 19 34 14 o 139.1372 8.970074 198.5567   24.96142 198.5567   24.96142 ?          ?        139.1372 8.970074 ?        ?        ?         ?        
1 1 1 19 35 0  o 109.7072 18.45818 129.3455   37.44213 129.3455   37.44213 129.3455   37.44213 109.7072 18.45818 109.7072 18.45818 -0.000000 0.000000 
1 1 1 19 35 1  o 204.9521 7.611967 420.9402   31.20177 420.9402   31.20177 ?          ?        204.9521 7.611967 ?        ?        ?         ?        
1 1 1 19 35 2  o 387.3133 9.300963 1505.060   72.04772 1505.060   72.04772 ?          ?        387.3133 9.300963 ?        ?        ?         ?        
1 1 1 19 35 3  o 183.4680 8.039513 337.5464   29.49986 337.5464   29.49986 ?          ?        183.4680 8.039513 ?        ?        ?         ?        
1 1 1 19 35 4  o 111.4113 10.94777 124.8071   24.39412 124.8071   24.39412 ?          ?        111.4113 10.94777 ?        ?        ?         ?        
1 1 1 19 35 5  o 303.0233 8.237459 921.3032   49.92284 921.3032   49.92284 ?          ?        303.0233 8.237459 ?        ?        ?         ?        
1 1 1 19 35 6  o 386.0215 9.332088 1497.685   72.04772 1497.685   72.04772 ?          ?        386.0215 9.332088 ?        ?        ?         ?        
1 1 1 19 35 7  o 205.3157 7.598486 423.2095   31.20177 423.2095   31.20177 ?          ?        205.3157 7.598486 ?        ?        ?         ?        
1 1 1 19 35 8  o 75.55441 16.59451 60.70163   24.39412 60.70163   24.39412 ?          ?        75.55441 16.59451 ?        ?        ?         ?        
1 1 1 19 35 9  o 162.3443 7.687803 265.4987   24.96142 265.4987   24.96142 ?          ?        162.3443 7.687803 ?        ?        ?         ?        
1 1 1 19 35 10 o 96.99321 11.40538 95.87454   22.12490 95.87454   22.12490 ?          ?        96.99321 11.40538 ?        ?        ?         ?        
1 1 1 19 35 11 o 116.4901 9.739967 137.8551   22.69220 137.8551   22.69220 ?          ?        116.4901 9.739967 ?        ?        ?         ?        
1 1 1 19 35 12 o 190.4356 7.298518 367.0463   27.79794 367.0463   27.79794 ?          ?        190.4356 7.298518 ?        ?        ?         ?        
1 1 1 19 35 13 o 57.73555 16.72422 36.87482   20.42298 36.87482   20.42298 ?          ?        57.73555 16.72422 ?        ?        ?         ?        
1 1 1 19 35 14 o 55.22230 16.62407 34.03830   19.85567 34.03830   19.85567 ?          ?        55.22230 16.62407 ?        ?        ?         ?        
1 1 1 19 36 0  o 407.9791 13.45065 1675.819   109.4899 1675.819   109.4899 1675.819   109.4899 407.9791 13.45065 407.9791 13.45065 -0.000000 0.000000 
1 1 1 19 36 1  o 159.1856 8.553112 254.1526   27.23064 254.1526   27.23064 ?          ?        159.1856 8.553112 ?        ?        ?         ?        
1 1 1 19 36 2  o 96.11501 12.69006 93.03801   24.39412 93.03801   24.39412 ?          ?        96.11501 12.69006 ?        ?        ?         ?        
1 1 1 19 36 3  o 188.6212 7.970252 356.8348   30.06716 356.8348   30.06716 ?          ?        188.6212 7.970252 ?        ?        ?         ?        
1 1 1 19 36 4  f 195.8435 7.965996 384.6328   31.20177 384.6328   31.20177 ?          ?        195.8435 7.965996 ?        ?        ?         ?        
1 1 1 19 36 5  o 83.07585 15.25156 72.04772   24.39412 72.04772   24.39412 ?          ?        83.07585 15.25156 ?        ?        ?         ?        
1 1 1 19 36 6  o 49.78342 17.86884 21.55759   22.69220 21.55759   22.69220 ?          ?        49.78342 17.86884 ?        ?        ?         ?        
1 1 1 19 36 7  o 119.1988 9.280669 142.9609   22.12490 142.9609   22.12490 ?          ?        119.1988 9.280669 ?        ?        ?         ?        
1 1 1 19 36 8  o 129.9119 9.607056 170.1915   24.96142 170.1915   24.96142 ?          ?        129.9119 9.607056 ?        ?        ?         ?        
1 1 1 19 36 9  o 55.62891 16.88270 32.33638   20.42298 32.33638   20.42298 ?          ?        55.62891 16.88270 ?        ?        ?         ?        
1 1 1 19 36 10 o 98.19805 13.86516 99.27837   27.23064 99.27837   27.23064 ?          ?        98.19805 13.86516 ?        ?        ?         ?        
1 1 1 19 36 11 o 49.00348 17.01376 23.25950   20.42298 23.25950   20.42298 ?          ?        49.00348 17.01376 ?        ?        ?         ?        
1 1 1 19 36 12 o 85.74522 12.57072 76.58617   21.55759 76.58617   21.55759 ?          ?        85.74522 12.57072 ?        ?        ?         ?        
1 1 1 19 36 13 o 26.67449 12.89640 -31.20177  20.99029 -31.20177  20.99029 ?          ?        26.67449 12.89640 ?        ?        ?         ?        
1 1 1 19 36 14 o 123.5775 9.640431 157.7108   23.82681 157.7108   23.82681 ?          ?        123.5775 9.640431 ?        ?        ?         ?        
1 1 1 19 37 0  o 50.08865 26.03244 37.44213   33.47099 37.44213   33.47099 37.44213   33.47099 50.08865 26.03244 50.08865 26.03244 -0.000000 0.000000 
1 1 1 19 37 1  o 152.0396 8.955117 232.0277   27.23064 232.0277   27.23064 ?          ?        152.0396 8.955117 ?        ?        ?         ?        
1 1 1 19 37 2  o 207.7406 8.055960 432.8537   33.47099 432.8537   33.47099 ?          ?        207.7406 8.055960 ?        ?        ?         ?        
1 1 1 19 37 3  o 145.7598 9.535533 213.3067   27.79794 213.3067   27.79794 ?          ?        145.7598 9.535533 ?        ?        ?         ?        
1 1 1 19 37 4  o 147.6315 9.414642 218.9797   27.79794 218.9797   27.79794 ?          ?        147.6315 9.414642 ?        ?        ?         ?        
1 1 1 19 37 5  f 146.1223 8.541275 214.4413   24.96142 214.4413   24.96142 ?          ?        146.1223 8.541275 ?        ?        ?         ?        
1 1 1 19 37 6  o 289.2976 8.138041 840.7460   47.08631 840.7460   47.08631 ?          ?        289.2976 8.138041 ?        ?        ?         ?        
1 1 1 19 37 7  o 118.5406 10.28935 141.8262   24.39412 141.8262   24.39412 ?          ?        118.5406 10.28935 ?        ?        ?         ?        
1 1 1 19 37 8  o 197.2011 7.479639 391.4404   29.49986 391.4404   29.49986 ?          ?        197.2011 7.479639 ?        ?        ?         ?        
1 1 1 19 37 9  o 68.07378 16.75765 49.92284   22.69220 49.92284   22.69220 ?          ?        68.07378 16.75765 ?        ?        ?         ?        
1 1 1 19 37 10 o 90.40296 14.43317 84.52843   26.09603 84.52843   26.09603 ?          ?        90.40296 14.43317 ?        ?        ?         ?        
1 1 1 19 37 11 o 71.72149 16.20084 56.16319   22.69220 56.16319   22.69220 ?          ?        71.72149 16.20084 ?        ?        ?         ?        
1 1 1 19 37 12 o 234.8301 8.817709 562.1992   41.41326 562.1992   41.41326 ?          ?        234.8301 8.817709 ?        ?        ?         ?        
1 1 1 19 37 13 o 93.15524 13.70225 91.90340   25.52872 91.90340   25.52872 ?          ?        93.15524 13.70225 ?        ?        ?         ?        
1 1 1 19 38 0  f 155.0911 13.35807 246.7777   40.84595 246.7777   40.84595 246.7777   40.84595 155.0911 13.35807 155.0911 13.35807 -0.000000 0.000000 
1 1 1 19 38 1  o 122.5759 9.950620 150.9031   24.39412 150.9031   24.39412 ?          ?        122.5759 9.950620 ?        ?        ?         ?        
1 1 1 19 38 2  o 128.0180 9.306041 164.5184   23.82681 164.5184   23.82681 ?          ?        128.0180 9.306041 ?        ?        ?         ?        
1 1 1 19 38 3  o 308.8918 8.356446 957.6108   51.62476 957.6108   51.62476 ?          ?        308.8918 8.356446 ?        ?        ?         ?        
1 1 1 19 38 4  o 163.3212 8.336530 267.7679   27.23064 267.7679   27.23064 ?          ?        163.3212 8.336530 ?        ?        ?         ?        
1 1 1 19 38 5  o 150.8279 8.462864 228.6239   25.52872 228.6239   25.52872 ?          ?        150.8279 8.462864 ?        ?        ?         ?        
1 1 1 19 38 6  o 377.9303 9.306719 1436.983   70.34581 1436.983   70.34581 ?          ?        377.9303 9.306719 ?        ?        ?         ?        
1 1 1 19 38 7  o 116.2858 11.22064 136.7205   26.09603 136.7205   26.09603 ?          ?        116.2858 11.22064 ?        ?        ?         ?        
1 1 1 19 38 8  o 196.6397 7.212492 389.1712   28.36525 389.1712   28.36525 ?          ?        196.6397 7.212492 ?        ?        ?         ?        
1 1 1 19 38 9  o 184.9810 8.127097 345.4887   30.06716 345.4887   30.06716 ?          ?        184.9810 8.127097 ?        ?        ?         ?        
1 1 1 19 38 10 o 166.6684 7.318159 280.2487   24.39412 280.2487   24.39412 ?          ?        166.6684 7.318159 ?        ?        ?         ?        
1 1 1 19 38 11 o 55.79229 17.42978 33.47099   21.55759 33.47099   21.55759 ?          ?        55.79229 17.42978 ?        ?        ?         ?        
1 1 1 19 38 12 o 100.5922 10.99733 104.3841   22.12490 104.3841   22.12490 ?          ?        100.5922 10.99733 ?        ?        ?         ?        
1 1 1 19 38 13 o 61.87640 16.60971 43.11518   20.99029 43.11518   20.99029 ?          ?        61.87640 16.60971 ?        ?        ?         ?        
1 1 1 19 39 0  o 181.3122 11.99693 334.1426   43.11518 334.1426   43.11518 334.1426   43.11518 181.3122 11.99693 181.3122 11.99693 -0.000000 0.000000 
1 1 1 19 39 1  o 105.3701 11.57544 111.7591   24.39412 111.7591   24.39412 ?          ?        105.3701 11.57544 ?        ?        ?         ?        
1 1 1 19 39 2  o 220.0023 7.864827 485.6130   34.60560 485.6130   34.60560 ?          ?        220.0023 7.864827 ?        ?        ?         ?        
1 1 1 19 39 3  o 156.7657 8.685140 246.7777   27.23064 246.7777   27.23064 ?          ?        156.7657 8.685140 ?        ?        ?         ?        
1 1 1 19 39 4  o 295.3284 8.644183 876.4862   51.05745 876.4862   51.05745 ?          ?        295.3284 8.644183 ?        ?        ?         ?        
1 1 1 19 39 5  o 163.0904 8.174401 267.2006   26.66333 267.2006   26.66333 ?          ?        163.0904 8.174401 ?        ?        ?         ?        
1 1 1 19 39 6  o 78.62736 15.70738 65.24007   23.82681 65.24007   23.82681 ?          ?        78.62736 15.70738 ?        ?        ?         ?        
1 1 1 19 39 7  o 203.5767 7.663393 416.9691   31.20177 416.9691   31.20177 ?          ?        203.5767 7.663393 ?        ?        ?         ?        
1 1 1 19 39 8  o 51.54399 17.72646 25.52872   22.12490 25.52872   22.12490 ?          ?        51.54399 17.72646 ?        ?        ?         ?        
1 1 1 19 39 9  o 61.53395 18.91607 40.27865   25.52872 40.27865   25.52872 ?          ?        61.53395 18.91607 ?        ?        ?         ?        
1 1 1 19 39 10 o 95.00783 11.94228 92.47070   22.69220 92.47070   22.69220 ?          ?        95.00783 11.94228 ?        ?        ?         ?        
1 1 1 19 39 11 o 97.99319 10.99953 98.71106   21.55759 98.71106   21.55759 ?          ?        97.99319 10.99953 ?        ?        ?         ?        
1 1 1 19 39 12 o 153.6918 8.120607 240.5373   24.96142 240.5373   24.96142 ?          ?        153.6918 8.120607 ?        ?        ?         ?        
1 1 1 19 39 13 o 116.3199 12.19278 141.8262   28.36525 141.8262   28.36525 ?          ?        116.3199 12.19278 ?        ?        ?         ?        
1 1 1 19 40 0  o 58.56135 26.38644 50.49014   32.90369 50.49014   32.90369 50.49014   32.90369 58.56135 26.38644 58.56135 26.38644 -0.000000 0.000000 
1 1 1 19 40 1  o 304.9388 8.092694 933.2167   49.35553 933.2167   49.35553 ?          ?        304.9388 8.092694 ?        ?        ?         ?        
1 1 1 19 40 2  o 262.8762 7.553242 693.2466   39.71135 693.2466   39.71135 ?          ?        262.8762 7.553242 ?        ?        ?         ?        
1 1 1 19 40 3  o 211.7440 7.233846 449.8729   30.63447 449.8729   30.63447 ?          ?        211.7440 7.233846 ?        ?        ?         ?        
1 1 1 19 40 4  o 114.0240 10.69692 131.0475   24.39412 131.0475   24.39412 ?          ?        114.0240 10.69692 ?        ?        ?         ?        
1 1 1 19 40 5  o 193.8235 7.609979 377.2578   29.49986 377.2578   29.49986 ?          ?        193.8235 7.609979 ?        ?        ?         ?        
1 1 1 19 40 6  o 39.90748 16.76801 2.836525   22.69220 2.836525   22.69220 ?          ?        39.90748 16.76801 ?        ?        ?         ?        
1 1 1 19 40 7  o 102.7281 11.32090 107.2206   23.25950 107.2206   23.25950 ?          ?        102.7281 11.32090 ?        ?        ?         ?        
1 1 1 19 40 8  o 94.27160 14.14176 91.33610   26.66333 91.33610   26.66333 ?          ?        94.27160 14.14176 ?        ?        ?         ?        
1 1 1 19 40 9  o 42.71896 16.95330 11.34610   21.55759 11.34610   21.55759 ?          ?        42.71896 16.95330 ?        ?        ?         ?        
1 1 1 19 40 10 o 163.1966 7.821461 269.4698   25.52872 269.4698   25.52872 ?          ?        163.1966 7.821461 ?        ?        ?         ?        
1 1 1 19 40 11 o 74.33862 16.46269 61.26894   23.82681 61.26894   23.82681 ?          ?        74.33862 16.46269 ?        ?        ?         ?        
1 1 1 19 40 12 o 69.99370 16.12599 54.46128   22.12490 54.46128   22.12490 ?          ?        69.99370 16.12599 ?        ?        ?         ?        
1 1 1 19 40 13 o 81.40781 13.24049 70.34581   21.55759 70.34581   21.55759 ?          ?        81.40781 13.24049 ?        ?        ?         ?        
1 1 1 19 41 0  o 54.57568 26.45561 44.81709   33.47099 44.81709   33.47099 44.81709   33.47099 54.57568 26.45561 54.57568 26.45561 -0.000000 0.000000 
1 1 1 19 41 1  o 91.74924 13.29391 85.09574   24.39412 85.09574   24.39412 ?          ?        91.74924 13.29391 ?        ?        ?         ?        
1 1 1 19 41 2  o 142.0714 9.583435 203.0952   27.23064 203.0952   27.23064 ?          ?        142.0714 9.583435 ?        ?        ?         ?        
1 1 1 19 41 3  o 80.34231 16.45460 68.07660   25.52872 68.07660   25.52872 ?          ?        80.34231 16.45460 ?        ?        ?         ?        
1 1 1 19 41 4  o 146.9857 9.070042 217.2778   26.66333 217.2778   26.66333 ?          ?        146.9857 9.070042 ?        ?        ?         ?        
1 1 1 19 41 5  o 170.4395 7.988360 292.1620   27.23064 292.1620   27.23064 ?          ?        170.4395 7.988360 ?        ?        ?         ?        
1 1 1 19 41 6  o 232.6033 7.316812 544.0455   34.03830 544.0455   34.03830 ?          ?        232.6033 7.316812 ?        ?        ?         ?        
1 1 1 19 41 7  o 113.2177 10.52256 129.9128   23.82681 129.9128   23.82681 ?          ?        113.2177 10.52256 ?        ?        ?         ?        
1 1 1 19 41 8  f 156.3522 9.796620 247.9123   30.63447 247.9123   30.63447 ?          ?        156.3522 9.796620 ?        ?        ?         ?        
1 1 1 19 41 9  o 142.0437 8.586832 204.2298   24.39412 204.2298   24.39412 ?          ?        142.0437 8.586832 ?        ?        ?         ?        
1 1 1 19 41 10 o 117.8004 9.872421 141.8262   23.25950 141.8262   23.25950 ?          ?        117.8004 9.872421 ?        ?        ?         ?        
1 1 1 19 41 11 o 26.40411 12.78825 -32.90369  20.99029 -32.90369  20.99029 ?          ?        26.40411 12.78825 ?        ?        ?         ?        
1 1 1 19 41 12 o 134.3395 8.868131 184.9414   23.82681 184.9414   23.82681 ?          ?        134.3395 8.868131 ?        ?        ?         ?        
1 1 1 19 41 13 o 139.4450 8.340026 199.1240   23.25950 199.1240   23.25950 ?          ?        139.4450 8.340026 ?        ?        ?         ?        
1 1 1 19 42 0  o 69.40813 27.34978 67.50929   36.30752 67.50929   36.30752 67.50929   36.30752 69.40813 27.34978 69.40813 27.34978 -0.000000 0.000000 
1 1 1 19 42 1  o 205.1376 7.881634 422.6422   32.33638 422.6422   32.33638 ?          ?        205.1376 7.881634 ?        ?        ?         ?        
1 1 1 19 42 2  o 229.8625 7.527456 530.4301   34.60560 530.4301   34.60560 ?          ?        229.8625 7.527456 ?        ?        ?         ?        
1 1 1 19 42 3  o 64.81031 20.18131 43.11518   28.93255 43.11518   28.93255 ?          ?        64.81031 20.18131 ?        ?        ?         ?        
1 1 1 19 42 4  o 210.3497 7.821187 444.7671   32.90369 444.7671   32.90369 ?          ?        210.3497 7.821187 ?        ?        ?         ?        
1 1 1 19 42 5  o 180.3904 8.176671 327.3350   29.49986 327.3350   29.49986 ?          ?        180.3904 8.176671 ?        ?        ?         ?        
1 1 1 19 42 6  o 79.09892 15.24689 66.37468   23.25950 66.37468   23.25950 ?          ?        79.09892 15.24689 ?        ?        ?         ?        
1 1 1 19 42 7  o 99.34866 11.42048 100.4130   22.69220 100.4130   22.69220 ?          ?        99.34866 11.42048 ?        ?        ?         ?        
1 1 1 19 42 8  o 114.6890 10.63490 133.8840   24.39412 133.8840   24.39412 ?          ?        114.6890 10.63490 ?        ?        ?         ?        
1 1 1 19 42 9  o 63.00842 17.43088 43.11518   22.69220 43.11518   22.69220 ?          ?        63.00842 17.43088 ?        ?        ?         ?        
1 1 1 19 42 10 o 255.3451 7.776016 660.9103   39.71135 660.9103   39.71135 ?          ?        255.3451 7.776016 ?        ?        ?         ?        
1 1 1 19 42 11 o 142.1347 8.381772 205.9317   23.82681 205.9317   23.82681 ?          ?        142.1347 8.381772 ?        ?        ?         ?        
1 1 1 19 42 12 o 117.9003 10.10464 143.5282   23.82681 143.5282   23.82681 ?          ?        117.9003 10.10464 ?        ?        ?         ?        
1 1 1 19 43 0  o 175.8575 12.38227 315.4216   43.11518 315.4216   43.11518 315.4216   43.11518 175.8575 12.38227 175.8575 12.38227 -0.000000 0.000000 
1 1 1 19 43 1  o 138.2577 9.437458 192.3164   26.09603 192.3164   26.09603 ?          ?        138.2577 9.437458 ?        ?        ?         ?        
1 1 1 19 43 2  o 48.76611 17.83255 19.85567   22.69220 19.85567   22.69220 ?          ?        48.76611 17.83255 ?        ?        ?         ?        
1 1 1 19 43 3  o 271.2448 8.052225 739.7656   43.68248 739.7656   43.68248 ?          ?        271.2448 8.052225 ?        ?        ?         ?        
1 1 1 19 43 4  o 81.04417 15.60680 69.21120   24.39412 69.21120   24.39412 ?          ?        81.04417 15.60680 ?        ?        ?         ?        
1 1 1 19 43 5  o 53.30597 18.38950 27.23064   23.82681 27.23064   23.82681 ?          ?        53.30597 18.38950 ?        ?        ?         ?        
1 1 1 19 43 6  o 136.5767 8.930557 188.3452   24.39412 188.3452   24.39412 ?          ?        136.5767 8.930557 ?        ?        ?         ?        
1 1 1 19 43 7  o 89.06703 12.42036 81.12460   22.12490 81.12460   22.12490 ?          ?        89.06703 12.42036 ?        ?        ?         ?        
1 1 1 19 43 8  o 48.11120 17.60675 20.42298   22.12490 20.42298   22.12490 ?          ?        48.11120 17.60675 ?        ?        ?         ?        
1 1 1 19 43 9  o 124.9111 9.537507 158.8454   23.82681 158.8454   23.82681 ?          ?        124.9111 9.537507 ?        ?        ?         ?        
1 1 1 19 43 10 o 177.1118 7.847569 318.8254   27.79794 318.8254   27.79794 ?          ?        177.1118 7.847569 ?        ?        ?         ?        
1 1 1 19 43 11 o 66.49232 16.65676 49.35553   22.12490 49.35553   22.12490 ?          ?        66.49232 16.65676 ?        ?        ?         ?        
1 1 1 19 43 12 o 268.4203 7.714257 734.6599   41.41326 734.6599   41.41326 ?          ?        268.4203 7.714257 ?        ?        ?         ?        
1 1 1 19 44 0  o 69.77570 26.78315 67.50929   35.17290 67.50929   35.17290 67.50929   35.17290 69.77570 26.78315 69.77570 26.78315 -0.000000 0.000000 
1 1 1 19 44 1  o 146.6975 9.281219 216.7105   27.23064 216.7105   27.23064 ?          ?        146.6975 9.281219 ?        ?        ?         ?        
1 1 1 19 44 2  o 298.5007 8.172214 896.3418   48.78823 896.3418   48.78823 ?          ?        298.5007 8.172214 ?        ?        ?         ?        
1 1 1 19 44 3  o 75.12151 17.33200 60.13433   25.52872 60.13433   25.52872 ?          ?        75.12151 17.33200 ?        ?        ?         ?        
1 1 1 19 44 4  o 218.3695 7.793741 479.9400   34.03830 479.9400   34.03830 ?          ?        218.3695 7.793741 ?        ?        ?         ?        
1 1 1 19 44 5  o 288.5045 8.062094 839.0439   46.51900 839.0439   46.51900 ?          ?        288.5045 8.062094 ?        ?        ?         ?        
1 1 1 19 44 6  o 45.09774 18.36114 9.644185   26.09603 9.644185   26.09603 ?          ?        45.09774 18.36114 ?        ?        ?         ?        
1 1 1 19 44 7  o 103.5283 11.78138 109.4899   24.39412 109.4899   24.39412 ?          ?        103.5283 11.78138 ?        ?        ?         ?        
1 1 1 19 44 8  o 274.5042 7.853282 761.3232   43.11518 761.3232   43.11518 ?          ?        274.5042 7.853282 ?        ?        ?         ?        
1 1 1 19 44 9  o 60.12638 19.23248 39.14404   26.09603 39.14404   26.09603 ?          ?        60.12638 19.23248 ?        ?        ?         ?        
1 1 1 19 44 10 o 138.3930 9.428229 195.7202   26.09603 195.7202   26.09603 ?          ?        138.3930 9.428229 ?        ?        ?         ?        
1 1 1 19 44 11 o 95.66805 12.45285 95.87454   23.82681 95.87454   23.82681 ?          ?        95.66805 12.45285 ?        ?        ?         ?        
1 1 1 19 44 12 o 122.0556 9.528240 153.7396   23.25950 153.7396   23.25950 ?          ?        122.0556 9.528240 ?        ?        ?         ?        
1 1 1 19 45 0  o 178.3675 10.89801 323.3638   38.57674 323.3638   38.57674 323.3638   38.57674 178.3675 10.89801 178.3675 10.89801 -0.000000 0.000000 
1 1 1 19 45 1  o 137.6979 9.681824 191.1818   26.66333 191.1818   26.66333 ?          ?        137.6979 9.681824 ?        ?        ?         ?        
1 1 1 19 45 2  o 152.3657 8.749780 233.7296   26.66333 233.7296   26.66333 ?          ?        152.3657 8.749780 ?        ?        ?         ?        
1 1 1 19 45 3  o 251.3857 7.672818 635.9489   38.57674 635.9489   38.57674 ?          ?        251.3857 7.672818 ?        ?        ?         ?        
1 1 1 19 45 4  o 31.27711 14.63227 -20.99029  22.69220 -20.99029  22.69220 ?          ?        31.27711 14.63227 ?        ?        ?         ?        
1 1 1 19 45 5  f 163.7353 8.661923 270.6045   28.36525 270.6045   28.36525 ?          ?        163.7353 8.661923 ?        ?        ?         ?        
1 1 1 19 45 6  o 107.1343 11.12006 116.8648   23.82681 116.8648   23.82681 ?          ?        107.1343 11.12006 ?        ?        ?         ?        
1 1 1 19 45 7  o 155.6221 9.295773 245.6430   28.93255 245.6430   28.93255 ?          ?        155.6221 9.295773 ?        ?        ?         ?        
1 1 1 19 45 8  o 39.51415 16.91368 1.134610   23.82681 1.134610   23.82681 ?          ?        39.51415 16.91368 ?        ?        ?         ?        
1 1 1 19 45 9  o 119.6613 9.718888 146.3647   23.25950 146.3647   23.25950 ?          ?        119.6613 9.718888 ?        ?        ?         ?        
1 1 1 19 45 10 o 116.7102 10.20768 140.1243   23.82681 140.1243   23.82681 ?          ?        116.7102 10.20768 ?        ?        ?         ?        
1 1 1 19 45 11 o 211.2682 7.250136 453.8440   30.63447 453.8440   30.63447 ?          ?        211.2682 7.250136 ?        ?        ?         ?        
1 1 1 19 46 0  o 138.2997 13.14110 197.9895   35.74022 197.9895   35.74022 197.9895   35.74022 138.2997 13.14110 138.2997 13.14110 -0.000000 0.000000 
1 1 1 19 46 1  o 199.0681 7.836961 398.8154   31.20177 398.8154   31.20177 ?          ?        199.0681 7.836961 ?        ?        ?         ?        
1 1 1 19 46 2  o 334.8214 8.980061 1131.773   60.13433 1131.773   60.13433 ?          ?        334.8214 8.980061 ?        ?        ?         ?        
1 1 1 19 46 3  o 76.68866 16.38445 62.97085   24.39412 62.97085   24.39412 ?          ?        76.68866 16.38445 ?        ?        ?         ?        
1 1 1 19 46 4  o 357.2733 9.130275 1289.484   65.24007 1289.484   65.24007 ?          ?        357.2733 9.130275 ?        ?        ?         ?        
1 1 1 19 46 5  o 102.2247 11.93162 106.6533   24.39412 106.6533   24.39412 ?          ?        102.2247 11.93162 ?        ?        ?         ?        
1 1 1 19 46 6  o 355.3024 8.861585 1278.138   62.97085 1278.138   62.97085 ?          ?        355.3024 8.861585 ?        ?        ?         ?        
1 1 1 19 46 7  o 84.12619 15.04146 75.45156   24.39412 75.45156   24.39412 ?          ?        84.12619 15.04146 ?        ?        ?         ?        
1 1 1 19 46 8  o 230.7332 7.744922 539.5070   35.74022 539.5070   35.74022 ?          ?        230.7332 7.744922 ?        ?        ?         ?        
1 1 1 19 46 9  o 134.0550 9.310141 183.8068   24.96142 183.8068   24.96142 ?          ?        134.0550 9.310141 ?        ?        ?         ?        
1 1 1 19 46 10 o 97.13301 11.09694 97.57646   21.55759 97.57646   21.55759 ?          ?        97.13301 11.09694 ?        ?        ?         ?        
1 1 1 19 46 11 o 30.54334 14.32005 -19.28837  22.12490 -19.28837  22.12490 ?          ?        30.54334 14.32005 ?        ?        ?         ?        
1 1 1 19 47 0  o 251.0834 11.00374 638.7853   55.02858 638.7853   55.02858 638.7853   55.02858 251.0834 11.00374 251.0834 11.00374 -0.000000 0.000000 
1 1 1 19 47 1  o 109.3755 10.89221 121.4033   23.82681 121.4033   23.82681 ?          ?        109.3755 10.89221 ?        ?        ?         ?        
1 1 1 19 47 2  o 285.4302 8.546438 822.0249   48.78823 822.0249   48.78823 ?          ?        285.4302 8.546438 ?        ?        ?         ?        
1 1 1 19 47 3  o 124.5545 10.24801 157.1435   25.52872 157.1435   25.52872 ?          ?        124.5545 10.24801 ?        ?        ?         ?        
1 1 1 19 47 4  o 37.43144 16.78855 -10.21149  26.09603 -10.21149  26.09603 ?          ?        37.43144 16.78855 ?        ?        ?         ?        
1 1 1 19 47 5  o 321.2442 8.300020 1042.707   53.32666 1042.707   53.32666 ?          ?        321.2442 8.300020 ?        ?        ?         ?        
1 1 1 19 47 6  o 132.5412 9.202465 178.1338   24.39412 178.1338   24.39412 ?          ?        132.5412 9.202465 ?        ?        ?         ?        
1 1 1 19 47 7  o 63.29998 17.97731 43.68248   23.82681 43.68248   23.82681 ?          ?        63.29998 17.97731 ?        ?        ?         ?        
1 1 1 19 47 8  o 150.8152 8.839734 231.4604   26.66333 231.4604   26.66333 ?          ?        150.8152 8.839734 ?        ?        ?         ?        
1 1 1 19 47 9  o 47.04234 17.87876 18.72106   23.25950 18.72106   23.25950 ?          ?        47.04234 17.87876 ?        ?        ?         ?        
1 1 1 19 47 10 o 33.71936 15.27379 -9.076880  22.12490 -9.076880  22.12490 ?          ?        33.71936 15.27379 ?        ?        ?         ?        
1 1 1 19 47 11 o 203.2269 8.374457 423.2095   34.03830 423.2095   34.03830 ?          ?        203.2269 8.374457 ?        ?        ?         ?        
1 1 1 19 48 0  o 114.5546 16.71122 138.4224   36.87482 138.4224   36.87482 138.4224   36.87482 114.5546 16.71122 114.5546 16.71122 -0.000000 0.000000 
1 1 1 19 48 1  f 180.1847 8.186007 327.3350   29.49986 327.3350   29.49986 ?          ?        180.1847 8.186007 ?        ?        ?         ?        
1 1 1 19 48 2  f 240.6774 8.249913 584.3241   39.71135 584.3241   39.71135 ?          ?        240.6774 8.249913 ?        ?        ?         ?        
1 1 1 19 48 3  o 78.60973 17.74045 66.94199   27.23064 66.94199   27.23064 ?          ?        78.60973 17.74045 ?        ?        ?         ?        
1 1 1 19 48 4  o 56.70090 18.62020 32.90369   24.39412 32.90369   24.39412 ?          ?        56.70090 18.62020 ?        ?        ?         ?        
1 1 1 19 48 5  o 118.6263 10.99926 143.5282   26.09603 143.5282   26.09603 ?          ?        118.6263 10.99926 ?        ?        ?         ?        
1 1 1 19 48 6  o 113.6675 10.48092 131.6148   23.82681 131.6148   23.82681 ?          ?        113.6675 10.48092 ?        ?        ?         ?        
1 1 1 19 48 7  o 42.09590 17.26907 8.509575   23.25950 8.509575   23.25950 ?          ?        42.09590 17.26907 ?        ?        ?         ?        
1 1 1 19 48 8  o 44.28331 17.59855 13.61532   23.25950 13.61532   23.25950 ?          ?        44.28331 17.59855 ?        ?        ?         ?        
1 1 1 19 48 9  o 39.61607 17.04068 1.701915   24.39412 1.701915   24.39412 ?          ?        39.61607 17.04068 ?        ?        ?         ?        
1 1 1 19 48 10 o 67.59780 16.82978 51.62476   22.69220 51.62476   22.69220 ?          ?        67.59780 16.82978 ?        ?        ?         ?        
1 1 1 19 49 0  o 98.71601 21.69605 112.8937   37.44213 112.8937   37.44213 112.8937   37.44213 98.71601 21.69605 98.71601 21.69605 -0.000000 0.000000 
1 1 1 19 49 1  o 114.2458 10.92444 132.7494   24.96142 132.7494   24.96142 ?          ?        114.2458 10.92444 ?        ?        ?         ?        
1 1 1 19 49 2  o 70.56499 17.04874 53.89397   23.82681 53.89397   23.82681 ?          ?        70.56499 17.04874 ?        ?        ?         ?        
1 1 1 19 49 3  o 25.18527 12.51530 -58.43241  24.39412 -58.43241  24.39412 ?          ?        25.18527 12.51530 ?        ?        ?         ?        
1 1 1 19 49 4  o 34.87075 15.81995 -11.91340  23.82681 -11.91340  23.82681 ?          ?        34.87075 15.81995 ?        ?        ?         ?        
1 1 1 19 49 5  o 154.7864 8.979455 242.8065   27.79794 242.8065   27.79794 ?          ?        154.7864 8.979455 ?        ?        ?         ?        
1 1 1 19 49 6  o 99.81507 12.50383 102.6822   24.96142 102.6822   24.96142 ?          ?        99.81507 12.50383 ?        ?        ?         ?        
1 1 1 19 49 7  o 149.4273 9.111670 227.4893   27.23064 227.4893   27.23064 ?          ?        149.4273 9.111670 ?        ?        ?         ?        
1 1 1 19 49 8  o 122.9564 9.919821 154.8743   24.39412 154.8743   24.39412 ?          ?        122.9564 9.919821 ?        ?        ?         ?        
1 1 1 19 49 9  o 42.63232 17.21221 11.34610   22.69220 11.34610   22.69220 ?          ?        42.63232 17.21221 ?        ?        ?         ?        
1 1 1 19 49 10 o 241.5879 7.866586 595.6702   38.00943 595.6702   38.00943 ?          ?        241.5879 7.866586 ?        ?        ?         ?        
1 1 1 19 50 0  o 266.1966 11.12398 718.7754   58.99971 718.7754   58.99971 718.7754   58.99971 266.1966 11.12398 266.1966 11.12398 -0.000000 0.000000 
1 1 1 19 50 1  o 154.7817 8.613205 242.2392   26.66333 242.2392   26.66333 ?          ?        154.7817 8.613205 ?        ?        ?         ?        
1 1 1 19 50 2  o 181.0075 8.462211 331.3061   30.63447 331.3061   30.63447 ?          ?        181.0075 8.462211 ?        ?        ?         ?        
1 1 1 19 50 3  o 188.1697 8.743089 358.5367   32.90369 358.5367   32.90369 ?          ?        188.1697 8.743089 ?        ?        ?         ?        
1 1 1 19 50 4  f 175.4922 8.243261 311.4504   28.93255 311.4504   28.93255 ?          ?        175.4922 8.243261 ?        ?        ?         ?        
1 1 1 19 50 5  o 148.0816 8.811367 222.3835   26.09603 222.3835   26.09603 ?          ?        148.0816 8.811367 ?        ?        ?         ?        
1 1 1 19 50 6  o 129.6888 9.842299 171.8934   25.52872 171.8934   25.52872 ?          ?        129.6888 9.842299 ?        ?        ?         ?        
1 1 1 19 50 7  o 40.18453 18.02210 -8.509575  30.06716 -8.509575  30.06716 ?          ?        40.18453 18.02210 ?        ?        ?         ?        
1 1 1 19 50 8  o 168.1920 7.757810 287.6236   26.09603 287.6236   26.09603 ?          ?        168.1920 7.757810 ?        ?        ?         ?        
1 1 1 19 50 9  o 100.8777 11.52857 106.0860   23.25950 106.0860   23.25950 ?          ?        100.8777 11.52857 ?        ?        ?         ?        
1 1 1 19 50 10 o 33.19590 15.32117 -14.74993  23.82681 -14.74993  23.82681 ?          ?        33.19590 15.32117 ?        ?        ?         ?        
1 1 1 19 51 0  o 27.32240 18.99135 -23.82681  34.60560 -23.82681  34.60560 -23.82681  34.60560 27.32240 18.99135 27.32240 18.99135 -0.000000 0.000000 
1 1 1 19 51 1  o 50.17132 18.47522 22.12490   24.39412 22.12490   24.39412 ?          ?        50.17132 18.47522 ?        ?        ?         ?        
1 1 1 19 51 2  o 214.4662 8.729146 465.7574   37.44213 465.7574   37.44213 ?          ?        214.4662 8.729146 ?        ?        ?         ?        
1 1 1 19 51 3  o 68.45387 17.36866 51.05745   23.82681 51.05745   23.82681 ?          ?        68.45387 17.36866 ?        ?        ?         ?        
1 1 1 19 51 4  o 102.8283 12.96498 108.9226   26.66333 108.9226   26.66333 ?          ?        102.8283 12.96498 ?        ?        ?         ?        
1 1 1 19 51 5  o 107.1561 11.11780 117.9994   23.82681 117.9994   23.82681 ?          ?        107.1561 11.11780 ?        ?        ?         ?        
1 1 1 19 51 6  o 254.9740 8.009828 660.3430   40.84595 660.3430   40.84595 ?          ?        254.9740 8.009828 ?        ?        ?         ?        
1 1 1 19 51 7  o 137.5220 11.75680 195.7202   32.33638 195.7202   32.33638 ?          ?        137.5220 11.75680 ?        ?        ?         ?        
1 1 1 19 51 8  o 60.44252 18.72996 40.84595   24.96142 40.84595   24.96142 ?          ?        60.44252 18.72996 ?        ?        ?         ?        
1 1 1 19 51 9  f 71.72803 16.54023 57.86510   23.25950 57.86510   23.25950 ?          ?        71.72803 16.54023 ?        ?        ?         ?        
1 1 1 19 52 0  o 115.1368 14.69913 136.7205   34.03830 136.7205   34.03830 136.7205   34.03830 115.1368 14.69913 115.1368 14.69913 -0.000000 0.000000 
1 1 1 19 52 1  o 226.3734 8.019386 517.9495   36.30752 517.9495   36.30752 ?          ?        226.3734 8.019386 ?        ?        ?         ?        
1 1 1 19 52 2  o 38.25080 16.65154 -2.269220  23.82681 -2.269220  23.82681 ?          ?        38.25080 16.65154 ?        ?        ?         ?        
1 1 1 19 52 3  f 84.75478 15.64841 77.15348   25.52872 77.15348   25.52872 ?          ?        84.75478 15.64841 ?        ?        ?         ?        
1 1 1 19 52 4  o 296.1260 8.429325 890.6688   49.92284 890.6688   49.92284 ?          ?        296.1260 8.429325 ?        ?        ?         ?        
1 1 1 19 52 5  o 34.10915 15.51734 -11.91340  23.25950 -11.91340  23.25950 ?          ?        34.10915 15.51734 ?        ?        ?         ?        
1 1 1 19 52 6  o 199.6747 7.955206 405.0558   31.76908 405.0558   31.76908 ?          ?        199.6747 7.955206 ?        ?        ?         ?        
1 1 1 19 52 7  o 53.15281 18.18201 29.49986   23.25950 29.49986   23.25950 ?          ?        53.15281 18.18201 ?        ?        ?         ?        
1 1 1 19 52 8  o 35.98413 16.00177 -5.105744  23.25950 -5.105744  23.25950 ?          ?        35.98413 16.00177 ?        ?        ?         ?        
1 1 1 19 52 9  o 46.61883 17.83169 19.28837   23.25950 19.28837   23.25950 ?          ?        46.61883 17.83169 ?        ?        ?         ?        
1 1 1 19 53 0  o 105.5251 18.90494 123.6725   36.30752 123.6725   36.30752 123.6725   36.30752 105.5251 18.90494 105.5251 18.90494 -0.000000 0.000000 
1 1 1 19 53 1  o 68.18382 18.02712 51.05745   24.96142 51.05745   24.96142 ?          ?        68.18382 18.02712 ?        ?        ?         ?        
1 1 1 19 53 2  o 180.9691 8.150524 331.8734   29.49986 331.8734   29.49986 ?          ?        180.9691 8.150524 ?        ?        ?         ?        
1 1 1 19 53 3  o 46.93923 18.35387 16.45185   24.96142 16.45185   24.96142 ?          ?        46.93923 18.35387 ?        ?        ?         ?        
1 1 1 19 53 4  o 166.2117 9.044838 281.3832   30.06716 281.3832   30.06716 ?          ?        166.2117 9.044838 ?        ?        ?         ?        
1 1 1 19 53 5  o 46.04854 17.94696 16.45185   23.82681 16.45185   23.82681 ?          ?        46.04854 17.94696 ?        ?        ?         ?        
1 1 1 19 53 6  o 174.4654 8.454356 310.3158   29.49986 310.3158   29.49986 ?          ?        174.4654 8.454356 ?        ?        ?         ?        
1 1 1 19 53 7  o 47.83700 18.27195 19.85567   24.39412 19.85567   24.39412 ?          ?        47.83700 18.27195 ?        ?        ?         ?        
1 1 1 19 53 8  o 45.92154 17.93680 17.01915   23.82681 17.01915   23.82681 ?          ?        45.92154 17.93680 ?        ?        ?         ?        
1 1 1 19 54 0  o 92.88088 22.95550 104.3841   36.87482 104.3841   36.87482 104.3841   36.87482 92.88088 22.95550 92.88088 22.95550 -0.000000 0.000000 
1 1 1 19 54 1  o 234.8891 8.090933 559.9300   38.00943 559.9300   38.00943 ?          ?        234.8891 8.090933 ?        ?        ?         ?        
1 1 1 19 54 2  o 99.01258 12.60518 101.5476   24.96142 101.5476   24.96142 ?          ?        99.01258 12.60518 ?        ?        ?         ?        
1 1 1 19 54 3  o 59.54401 18.78581 38.57674   24.96142 38.57674   24.96142 ?          ?        59.54401 18.78581 ?        ?        ?         ?        
1 1 1 19 54 4  o 75.84747 16.18409 63.53815   23.82681 63.53815   23.82681 ?          ?        75.84747 16.18409 ?        ?        ?         ?        
1 1 1 19 54 5  o 131.6504 10.34203 178.1338   27.23064 178.1338   27.23064 ?          ?        131.6504 10.34203 ?        ?        ?         ?        
1 1 1 19 54 6  o 90.17413 13.84068 85.66305   24.96142 85.66305   24.96142 ?          ?        90.17413 13.84068 ?        ?        ?         ?        
1 1 1 19 54 7  o 66.80592 18.19416 51.05745   24.96142 51.05745   24.96142 ?          ?        66.80592 18.19416 ?        ?        ?         ?        
1 1 1 19 54 8  f 90.12938 13.21811 86.23035   23.82681 86.23035   23.82681 ?          ?        90.12938 13.21811 ?        ?        ?         ?        
1 1 1 19 55 0  o 170.5516 12.09712 300.1043   40.84595 300.1043   40.84595 300.1043   40.84595 170.5516 12.09712 170.5516 12.09712 -0.000000 0.000000 
1 1 1 19 55 1  o 36.29384 16.25622 -7.942269  24.39412 -7.942269  24.39412 ?          ?        36.29384 16.25622 ?        ?        ?         ?        
1 1 1 19 55 2  o 125.0905 10.65762 161.1146   26.66333 161.1146   26.66333 ?          ?        125.0905 10.65762 ?        ?        ?         ?        
1 1 1 19 55 3  o 125.4216 10.40332 161.6819   26.09603 161.6819   26.09603 ?          ?        125.4216 10.40332 ?        ?        ?         ?        
1 1 1 19 55 4  o 121.6122 12.36191 153.7396   30.06716 153.7396   30.06716 ?          ?        121.6122 12.36191 ?        ?        ?         ?        
1 1 1 19 55 5  o 135.4390 9.843299 188.3452   26.66333 188.3452   26.66333 ?          ?        135.4390 9.843299 ?        ?        ?         ?        
1 1 1 19 55 6  o 98.75909 12.92475 102.6822   25.52872 102.6822   25.52872 ?          ?        98.75909 12.92475 ?        ?        ?         ?        
1 1 1 19 55 7  o 83.99504 16.45877 78.85539   26.66333 78.85539   26.66333 ?          ?        83.99504 16.45877 ?        ?        ?         ?        
1 1 1 19 56 0  o 41.80677 25.46325 21.55759   39.14404 21.55759   39.14404 21.55759   39.14404 41.80677 25.46325 41.80677 25.46325 -0.000000 0.000000 
1 1 1 19 56 1  o 65.21953 18.63575 47.65361   25.52872 47.65361   25.52872 ?          ?        65.21953 18.63575 ?        ?        ?         ?        
1 1 1 19 56 2  o 174.8489 8.273588 310.8831   28.93255 310.8831   28.93255 ?          ?        174.8489 8.273588 ?        ?        ?         ?        
1 1 1 19 56 3  o 259.1754 8.098873 683.6025   41.98057 683.6025   41.98057 ?          ?        259.1754 8.098873 ?        ?        ?         ?        
1 1 1 19 56 4  o 74.83096 17.69332 62.97085   26.09603 62.97085   26.09603 ?          ?        74.83096 17.69332 ?        ?        ?         ?        
1 1 1 19 56 5  f 158.8895 8.926095 258.6910   28.36525 258.6910   28.36525 ?          ?        158.8895 8.926095 ?        ?        ?         ?        
1 1 1 19 56 6  o 253.7418 8.160513 657.5065   41.41326 657.5065   41.41326 ?          ?        253.7418 8.160513 ?        ?        ?         ?        
1 1 1 19 56 7  o 168.5991 8.243800 291.0274   27.79794 291.0274   27.79794 ?          ?        168.5991 8.243800 ?        ?        ?         ?        
1 1 1 19 57 0  o 49.91595 27.07433 40.27865   37.44213 40.27865   37.44213 40.27865   37.44213 49.91595 27.07433 49.91595 27.07433 -0.000000 0.000000 
1 1 1 19 57 1  o 168.5972 8.916862 290.4601   30.06716 290.4601   30.06716 ?          ?        168.5972 8.916862 ?        ?        ?         ?        
1 1 1 19 57 2  o 73.12079 16.65901 59.56702   23.82681 59.56702   23.82681 ?          ?        73.12079 16.65901 ?        ?        ?         ?        
1 1 1 19 57 3  o 138.3980 9.427891 196.2875   26.09603 196.2875   26.09603 ?          ?        138.3980 9.427891 ?        ?        ?         ?        
1 1 1 19 57 4  o 165.5492 8.909693 280.8159   29.49986 280.8159   29.49986 ?          ?        165.5492 8.909693 ?        ?        ?         ?        
1 1 1 19 57 5  o 53.38923 18.97369 29.49986   25.52872 29.49986   25.52872 ?          ?        53.38923 18.97369 ?        ?        ?         ?        
1 1 1 19 57 6  o 76.71621 16.38014 66.37468   24.39412 66.37468   24.39412 ?          ?        76.71621 16.38014 ?        ?        ?         ?        
1 1 1 19 58 0  o 246.4518 11.44726 622.3336   56.16319 622.3336   56.16319 622.3336   56.16319 246.4518 11.44726 246.4518 11.44726 -0.000000 0.000000 
1 1 1 19 58 1  o 93.84029 13.29995 92.47070   24.96142 92.47070   24.96142 ?          ?        93.84029 13.29995 ?        ?        ?         ?        
1 1 1 19 58 2  o 68.44386 18.29268 53.32666   25.52872 53.32666   25.52872 ?          ?        68.44386 18.29268 ?        ?        ?         ?        
1 1 1 19 58 3  o 178.1450 8.757409 325.0657   31.20177 325.0657   31.20177 ?          ?        178.1450 8.757409 ?        ?        ?         ?        
1 1 1 19 58 4  o 50.16375 18.47494 24.39412   24.39412 24.39412   24.39412 ?          ?        50.16375 18.47494 ?        ?        ?         ?        
1 1 1 19 58 5  o 39.37564 17.18800 0.000000   25.52872 0.000000   25.52872 ?          ?        39.37564 17.18800 ?        ?        ?         ?        
1 1 1 19 59 0  o 87.74457 24.67343 98.71106   37.44213 98.71106   37.44213 98.71106   37.44213 87.74457 24.67343 87.74457 24.67343 -0.000000 0.000000 
1 1 1 19 59 1  o 46.56818 18.71692 15.31723   26.66333 15.31723   26.66333 ?          ?        46.56818 18.71692 ?        ?        ?         ?        
1 1 1 19 59 2  o 82.92677 15.62280 76.01886   24.96142 76.01886   24.96142 ?          ?        82.92677 15.62280 ?        ?        ?         ?        
1 1 1 19 59 3  o 228.8104 8.057943 534.4012   36.87482 534.4012   36.87482 ?          ?        228.8104 8.057943 ?        ?        ?         ?        
1 1 1 19 59 4  o 106.3766 11.73257 118.5667   24.96142 118.5667   24.96142 ?          ?        106.3766 11.73257 ?        ?        ?         ?        
1 1 1 19 59 5  o 152.5557 8.738886 238.8354   26.66333 238.8354   26.66333 ?          ?        152.5557 8.738886 ?        ?        ?         ?        
1 1 1 19 60 0  o 196.4554 11.63569 398.2480   45.38440 398.2480   45.38440 398.2480   45.38440 196.4554 11.63569 196.4554 11.63569 -0.000000 0.000000 
1 1 1 19 60 1  o 44.85949 18.57869 10.77879   27.23064 10.77879   27.23064 ?          ?        44.85949 18.57869 ?        ?        ?         ?        
1 1 1 19 60 2  o 125.2346 10.64536 162.8165   26.66333 162.8165   26.66333 ?          ?        125.2346 10.64536 ?        ?        ?         ?        
1 1 1 19 60 3  o 242.1054 8.084092 599.6413   39.14404 599.6413   39.14404 ?          ?        242.1054 8.084092 ?        ?        ?         ?        
1 1 1 19 60 4  o 35.86176 16.34715 -11.91340  26.09603 -11.91340  26.09603 ?          ?        35.86176 16.34715 ?        ?        ?         ?        
1 1 1 19 61 0  o 41.95580 24.92870 25.52872   35.74022 25.52872   35.74022 25.52872   35.74022 41.95580 24.92870 41.95580 24.92870 -0.000000 0.000000 
1 1 1 19 61 1  f 147.5801 10.57113 226.3547   31.20177 226.3547   31.20177 ?          ?        147.5801 10.57113 ?        ?        ?         ?        
1 1 1 19 61 2  o 76.80293 18.32627 68.07660   27.79794 68.07660   27.79794 ?          ?        76.80293 18.32627 ?        ?        ?         ?        
1 1 1 20 0  4  o 164.8355 13.24524 277.4121   43.11518 277.4121   43.11518 277.4121   43.11518 164.8355 13.24524 164.8355 13.24524 -0.000000 0.000000 
1 1 1 20 0  5  o 260.2924 13.92380 684.7371   72.04772 684.7371   72.04772 684.7371   72.04772 260.2924 13.92380 260.2924 13.92380 -0.000000 0.000000 
1 1 1 20 0  6  o 149.0612 18.86861 225.7874   56.73050 225.7874   56.73050 225.7874   56.73050 149.0612 18.86861 149.0612 18.86861 -0.000000 0.000000 
1 1 1 20 0  8  o 213.7286 15.56008 465.7574   65.80738 465.7574   65.80738 465.7574   65.80738 213.7286 15.56008 213.7286 15.56008 -0.000000 0.000000 
1 1 1 20 0  10 o 151.0707 36.88073 270.6045   96.44185 270.6045   96.44185 270.6045   96.44185 151.0707 36.88073 151.0707 36.88073 -0.000000 0.000000 
1 1 1 20 0  12 o 209.2724 13.11826 445.9017   54.46128 445.9017   54.46128 445.9017   54.46128 209.2724 13.11826 209.2724 13.11826 -0.000000 0.000000 
1 1 1 20 0  13 o 112.0148 14.57384 133.3167   31.76908 133.3167   31.76908 133.3167   31.76908 112.0148 14.57384 112.0148 14.57384 -0.000000 0.000000 
1 1 1 20 0  14 o 169.5744 10.45300 293.2967   35.17290 293.2967   35.17290 293.2967   35.17290 169.5744 10.45300 169.5744 10.45300 -0.000000 0.000000 
1 1 1 20 0  15 o 174.2124 11.16589 311.4504   38.57674 311.4504   38.57674 311.4504   38.57674 174.2124 11.16589 174.2124 11.16589 -0.000000 0.000000 
1 1 1 20 0  16 f 27.39809 18.06846 -1.134610  24.39412 -1.134610  24.39412 -1.134610  24.39412 27.39809 18.06846 27.39809 18.06846 -0.000000 0.000000 
1 1 1 20 0  17 o 153.3243 11.22017 243.9411   34.03830 243.9411   34.03830 243.9411   34.03830 153.3243 11.22017 153.3243 11.22017 -0.000000 0.000000 
1 1 1 20 1  1  o 322.6262 21.54036 1049.514   138.9897 1049.514   138.9897 ?          ?        322.6262 21.54036 ?        ?        ?         ?        
1 1 1 20 1  2  o 42.15687 18.52544 -7.942269  30.06716 -7.942269  30.06716 ?          ?        42.15687 18.52544 ?        ?        ?         ?        
1 1 1 20 1  3  o 377.9712 16.36004 1436.983   123.6725 1436.983   123.6725 ?          ?        377.9712 16.36004 ?        ?        ?         ?        
1 1 1 20 1  4  o 161.2337 13.72225 260.9603   44.24979 260.9603   44.24979 ?          ?        161.2337 13.72225 ?        ?        ?         ?        
1 1 1 20 1  5  o 238.0920 13.10492 569.0069   62.40355 569.0069   62.40355 ?          ?        238.0920 13.10492 ?        ?        ?         ?        
1 1 1 20 1  6  o 295.0475 11.92110 873.6497   70.34581 873.6497   70.34581 ?          ?        295.0475 11.92110 ?        ?        ?         ?        
1 1 1 20 1  7  o 97.61486 14.23858 95.87454   27.79794 95.87454   27.79794 ?          ?        97.61486 14.23858 ?        ?        ?         ?        
1 1 1 20 1  8  o 366.4398 14.08819 1351.320   103.2495 1351.320   103.2495 ?          ?        366.4398 14.08819 ?        ?        ?         ?        
1 1 1 20 1  9  o 760.3575 34.95492 6037.827   531.5648 6037.827   531.5648 ?          ?        760.3575 34.95492 ?        ?        ?         ?        
1 1 1 20 1  10 o 317.2426 12.96472 1014.341   82.25922 1014.341   82.25922 ?          ?        317.2426 12.96472 ?        ?        ?         ?        
1 1 1 20 1  11 o 115.9228 15.41552 136.1532   35.74022 136.1532   35.74022 ?          ?        115.9228 15.41552 ?        ?        ?         ?        
1 1 1 20 1  12 o 64.75848 21.24928 41.98057   31.76908 41.98057   31.76908 ?          ?        64.75848 21.24928 ?        ?        ?         ?        
1 1 1 20 1  13 o 233.1264 7.665415 547.4493   35.74022 547.4493   35.74022 ?          ?        233.1264 7.665415 ?        ?        ?         ?        
1 1 1 20 1  14 o 72.52431 14.59295 56.16319   20.42298 56.16319   20.42298 ?          ?        72.52431 14.59295 ?        ?        ?         ?        
1 1 1 20 1  15 o 120.0522 8.269603 146.3647   19.85567 146.3647   19.85567 ?          ?        120.0522 8.269603 ?        ?        ?         ?        
1 1 1 20 1  16 o 73.55214 13.62397 58.43241   19.28837 58.43241   19.28837 ?          ?        73.55214 13.62397 ?        ?        ?         ?        
1 1 1 20 1  17 o 30.76757 13.97691 -8.509575  18.72106 -8.509575  18.72106 ?          ?        30.76757 13.97691 ?        ?        ?         ?        
1 1 1 20 2  0  o 26.90622 19.71126 -111.7591  56.73050 -111.7591  56.73050 -111.7591  56.73050 26.90622 19.71126 26.90622 19.71126 -0.000000 0.000000 
1 1 1 20 2  1  o 141.1022 12.86568 199.6914   36.30752 199.6914   36.30752 ?          ?        141.1022 12.86568 ?        ?        ?         ?        
1 1 1 20 2  2  o 270.8675 13.61360 736.3619   73.74965 736.3619   73.74965 ?          ?        270.8675 13.61360 ?        ?        ?         ?        
1 1 1 20 2  3  o 238.3126 13.33084 570.1415   63.53815 570.1415   63.53815 ?          ?        238.3126 13.33084 ?        ?        ?         ?        
1 1 1 20 2  4  o 257.5363 11.01408 664.8814   56.73050 664.8814   56.73050 ?          ?        257.5363 11.01408 ?        ?        ?         ?        
1 1 1 20 2  5  o 293.8045 14.86787 867.4093   87.36497 867.4093   87.36497 ?          ?        293.8045 14.86787 ?        ?        ?         ?        
1 1 1 20 2  6  o 110.6550 14.61135 123.1052   32.33638 123.1052   32.33638 ?          ?        110.6550 14.61135 ?        ?        ?         ?        
1 1 1 20 2  8  o 258.8468 10.19123 672.2563   52.75936 672.2563   52.75936 ?          ?        258.8468 10.19123 ?        ?        ?         ?        
1 1 1 20 2  9  o 147.9721 12.07668 220.1143   35.74022 220.1143   35.74022 ?          ?        147.9721 12.07668 ?        ?        ?         ?        
1 1 1 20 2  10 o 198.0555 8.879558 393.7097   35.17290 393.7097   35.17290 ?          ?        198.0555 8.879558 ?        ?        ?         ?        
1 1 1 20 2  11 o 138.9040 10.00617 194.0183   27.79794 194.0183   27.79794 ?          ?        138.9040 10.00617 ?        ?        ?         ?        
1 1 1 20 2  12 o 123.6903 14.44746 155.4416   35.74022 155.4416   35.74022 ?          ?        123.6903 14.44746 ?        ?        ?         ?        
1 1 1 20 2  13 o 126.3123 11.67735 162.2492   29.49986 162.2492   29.49986 ?          ?        126.3123 11.67735 ?        ?        ?         ?        
1 1 1 20 2  14 o 57.22935 19.85135 32.33638   27.79794 32.33638   27.79794 ?          ?        57.22935 19.85135 ?        ?        ?         ?        
1 1 1 20 2  15 o 130.4656 9.348868 173.5953   24.39412 173.5953   24.39412 ?          ?        130.4656 9.348868 ?        ?        ?         ?        
1 1 1 20 2  16 o 69.74693 12.66792 52.19205   17.01915 52.19205   17.01915 ?          ?        69.74693 12.66792 ?        ?        ?         ?        
1 1 1 20 2  17 o 112.7857 8.550895 130.4801   19.28837 130.4801   19.28837 ?          ?        112.7857 8.550895 ?        ?        ?         ?        
1 1 1 20 3  0  o 32.16790 23.30665 -124.2398  73.18234 -124.2398  73.18234 -124.2398  73.18234 32.16790 23.30665 32.16790 23.30665 -0.000000 0.000000 
1 1 1 20 3  1  o 315.8995 14.72589 1001.861   93.03801 1001.861   93.03801 ?          ?        315.8995 14.72589 ?        ?        ?         ?        
1 1 1 20 3  2  o 185.7967 11.14478 346.0561   41.41326 346.0561   41.41326 ?          ?        185.7967 11.14478 ?        ?        ?         ?        
1 1 1 20 3  3  o 100.8812 27.99327 106.6533   58.43241 106.6533   58.43241 ?          ?        100.8812 27.99327 ?        ?        ?         ?        
1 1 1 20 3  4  o 156.2804 13.06816 245.0758   40.84595 245.0758   40.84595 ?          ?        156.2804 13.06816 ?        ?        ?         ?        
1 1 1 20 3  5  o 153.8092 10.32743 237.1335   31.76908 237.1335   31.76908 ?          ?        153.8092 10.32743 ?        ?        ?         ?        
1 1 1 20 3  6  o 182.6451 8.075732 334.1426   29.49986 334.1426   29.49986 ?          ?        182.6451 8.075732 ?        ?        ?         ?        
1 1 1 20 3  7  o 133.2428 14.68899 178.7011   39.14404 178.7011   39.14404 ?          ?        133.2428 14.68899 ?        ?        ?         ?        
1 1 1 20 3  8  f 283.5052 14.90774 809.5441   84.52843 809.5441   84.52843 ?          ?        283.5052 14.90774 ?        ?        ?         ?        
1 1 1 20 3  9  o 128.9606 13.19717 167.3549   34.03830 167.3549   34.03830 ?          ?        128.9606 13.19717 ?        ?        ?         ?        
1 1 1 20 3  10 o 322.4192 11.08502 1045.543   71.48043 1045.543   71.48043 ?          ?        322.4192 11.08502 ?        ?        ?         ?        
1 1 1 20 3  11 o 307.3141 12.36827 952.5050   76.01886 952.5050   76.01886 ?          ?        307.3141 12.36827 ?        ?        ?         ?        
1 1 1 20 3  12 f 70.18369 16.09633 52.19205   22.12490 52.19205   22.12490 ?          ?        70.18369 16.09633 ?        ?        ?         ?        
1 1 1 20 3  13 o 133.3483 9.572200 179.8357   25.52872 179.8357   25.52872 ?          ?        133.3483 9.572200 ?        ?        ?         ?        
1 1 1 20 3  14 o 99.64717 10.24765 100.9803   20.42298 100.9803   20.42298 ?          ?        99.64717 10.24765 ?        ?        ?         ?        
1 1 1 20 3  15 o 47.79397 18.58720 17.58645   25.52872 17.58645   25.52872 ?          ?        47.79397 18.58720 ?        ?        ?         ?        
1 1 1 20 3  16 o 45.73959 17.26236 18.15376   21.55759 18.15376   21.55759 ?          ?        45.73959 17.26236 ?        ?        ?         ?        
1 1 1 20 3  17 o 52.45454 18.55674 28.93255   24.39412 28.93255   24.39412 ?          ?        52.45454 18.55674 ?        ?        ?         ?        
1 1 1 20 4  0  o 168.1477 14.89815 289.8928   49.35553 289.8928   49.35553 289.8928   49.35553 168.1477 14.89815 168.1477 14.89815 -0.000000 0.000000 
1 1 1 20 4  1  o 474.5843 16.01799 2262.979   152.0377 2262.979   152.0377 ?          ?        474.5843 16.01799 ?        ?        ?         ?        
1 1 1 20 4  2  o 88.46745 18.25763 81.69191   31.20177 81.69191   31.20177 ?          ?        88.46745 18.25763 ?        ?        ?         ?        
1 1 1 20 4  3  o 362.6686 12.90508 1320.119   93.60532 1320.119   93.60532 ?          ?        362.6686 12.90508 ?        ?        ?         ?        
1 1 1 20 4  4  o 175.7730 11.29620 309.7485   39.71135 309.7485   39.71135 ?          ?        175.7730 11.29620 ?        ?        ?         ?        
1 1 1 20 4  5  o 172.8569 10.50219 299.5370   36.30752 299.5370   36.30752 ?          ?        172.8569 10.50219 ?        ?        ?         ?        
1 1 1 20 4  6  o 175.1616 9.230443 307.4793   32.33638 307.4793   32.33638 ?          ?        175.1616 9.230443 ?        ?        ?         ?        
1 1 1 20 4  7  o 214.6783 10.30607 462.3535   44.24979 462.3535   44.24979 ?          ?        214.6783 10.30607 ?        ?        ?         ?        
1 1 1 20 4  8  o 156.2040 14.34569 245.6430   44.81709 245.6430   44.81709 ?          ?        156.2040 14.34569 ?        ?        ?         ?        
1 1 1 20 4  9  o 220.2237 10.04655 486.7477   44.24979 486.7477   44.24979 ?          ?        220.2237 10.04655 ?        ?        ?         ?        
1 1 1 20 4  10 o 140.5743 10.08906 198.5567   28.36525 198.5567   28.36525 ?          ?        140.5743 10.08906 ?        ?        ?         ?        
1 1 1 20 4  11 o 248.1943 8.228626 618.3624   40.84595 618.3624   40.84595 ?          ?        248.1943 8.228626 ?        ?        ?         ?        
1 1 1 20 4  12 o 124.8615 9.995646 157.1435   24.96142 157.1435   24.96142 ?          ?        124.8615 9.995646 ?        ?        ?         ?        
1 1 1 20 4  13 o 101.0113 9.828445 103.2495   19.85567 103.2495   19.85567 ?          ?        101.0113 9.828445 ?        ?        ?         ?        
1 1 1 20 4  14 o 77.24451 12.85248 61.26894   19.85567 61.26894   19.85567 ?          ?        77.24451 12.85248 ?        ?        ?         ?        
1 1 1 20 4  15 o 35.85117 14.58468 6.240355   16.45185 6.240355   16.45185 ?          ?        35.85117 14.58468 ?        ?        ?         ?        
1 1 1 20 4  16 o 83.18929 10.91112 71.48043   18.15376 71.48043   18.15376 ?          ?        83.18929 10.91112 ?        ?        ?         ?        
1 1 1 20 4  17 o 129.3243 8.334703 171.3261   21.55759 171.3261   21.55759 ?          ?        129.3243 8.334703 ?        ?        ?         ?        
1 1 1 20 5  0  o 290.5569 23.33307 864.5728   133.8840 864.5728   133.8840 864.5728   133.8840 290.5569 23.33307 290.5569 23.33307 -0.000000 0.000000 
1 1 1 20 5  1  o 144.6377 13.33565 209.9028   38.57674 209.9028   38.57674 ?          ?        144.6377 13.33565 ?        ?        ?         ?        
1 1 1 20 5  2  o 104.4937 19.17481 113.4610   38.57674 113.4610   38.57674 ?          ?        104.4937 19.17481 ?        ?        ?         ?        
1 1 1 20 5  3  o 415.5837 14.74286 1735.386   122.5379 1735.386   122.5379 ?          ?        415.5837 14.74286 ?        ?        ?         ?        
1 1 1 20 5  4  o 221.0114 10.78081 489.5842   47.65361 489.5842   47.65361 ?          ?        221.0114 10.78081 ?        ?        ?         ?        
1 1 1 20 5  5  o 384.0219 14.47727 1481.801   111.1918 1481.801   111.1918 ?          ?        384.0219 14.47727 ?        ?        ?         ?        
1 1 1 20 5  6  o 65.33665 18.35066 44.24979   24.96142 44.24979   24.96142 ?          ?        65.33665 18.35066 ?        ?        ?         ?        
1 1 1 20 5  7  o 376.4363 14.61830 1426.205   110.0572 1426.205   110.0572 ?          ?        376.4363 14.61830 ?        ?        ?         ?        
1 1 1 20 5  8  o 228.1053 11.19164 522.4879   51.05745 522.4879   51.05745 ?          ?        228.1053 11.19164 ?        ?        ?         ?        
1 1 1 20 5  9  o 380.7946 15.12139 1461.945   115.1629 1461.945   115.1629 ?          ?        380.7946 15.12139 ?        ?        ?         ?        
1 1 1 20 5  10 o 134.3428 11.19046 181.5376   30.06716 181.5376   30.06716 ?          ?        134.3428 11.19046 ?        ?        ?         ?        
1 1 1 20 5  11 o 380.1335 11.64059 1456.272   88.49958 1456.272   88.49958 ?          ?        380.1335 11.64059 ?        ?        ?         ?        
1 1 1 20 5  12 o 222.9859 8.777246 500.3629   39.14404 500.3629   39.14404 ?          ?        222.9859 8.777246 ?        ?        ?         ?        
1 1 1 20 5  13 o 84.45892 12.09048 72.61504   20.42298 72.61504   20.42298 ?          ?        84.45892 12.09048 ?        ?        ?         ?        
1 1 1 20 5  14 o 102.8528 10.75561 107.7879   22.12490 107.7879   22.12490 ?          ?        102.8528 10.75561 ?        ?        ?         ?        
1 1 1 20 5  15 o 26.69630 12.73260 -22.69220  18.72106 -22.69220  18.72106 ?          ?        26.69630 12.73260 ?        ?        ?         ?        
1 1 1 20 5  16 o 91.23767 10.25950 85.66305   18.72106 85.66305   18.72106 ?          ?        91.23767 10.25950 ?        ?        ?         ?        
1 1 1 20 5  17 o 41.81847 15.99707 14.74993   18.72106 14.74993   18.72106 ?          ?        41.81847 15.99707 ?        ?        ?         ?        
1 1 1 20 6  1  o 479.5670 29.63296 2338.998   284.2198 2338.998   284.2198 ?          ?        479.5670 29.63296 ?        ?        ?         ?        
1 1 1 20 6  2  o 129.6351 16.84825 169.0569   43.68248 169.0569   43.68248 ?          ?        129.6351 16.84825 ?        ?        ?         ?        
1 1 1 20 6  3  o 429.5448 15.25422 1854.520   131.0475 1854.520   131.0475 ?          ?        429.5448 15.25422 ?        ?        ?         ?        
1 1 1 20 6  4  o 263.9689 8.489087 697.7851   44.81709 697.7851   44.81709 ?          ?        263.9689 8.489087 ?        ?        ?         ?        
1 1 1 20 6  5  o 207.1143 12.73678 430.5845   52.75936 430.5845   52.75936 ?          ?        207.1143 12.73678 ?        ?        ?         ?        
1 1 1 20 6  6  o 299.7784 12.01683 902.0149   72.04772 902.0149   72.04772 ?          ?        299.7784 12.01683 ?        ?        ?         ?        
1 1 1 20 6  7  o 277.8536 14.08801 776.6405   78.28809 776.6405   78.28809 ?          ?        277.8536 14.08801 ?        ?        ?         ?        
1 1 1 20 6  8  o 380.1304 12.68536 1452.868   96.44185 1452.868   96.44185 ?          ?        380.1304 12.68536 ?        ?        ?         ?        
1 1 1 20 6  9  f 279.5782 12.07342 785.7174   67.50929 785.7174   67.50929 ?          ?        279.5782 12.07342 ?        ?        ?         ?        
1 1 1 20 6  10 o 148.5699 10.30978 221.8162   30.63447 221.8162   30.63447 ?          ?        148.5699 10.30978 ?        ?        ?         ?        
1 1 1 20 6  11 o 122.3785 11.35737 150.9031   27.79794 150.9031   27.79794 ?          ?        122.3785 11.35737 ?        ?        ?         ?        
1 1 1 20 6  12 o 80.50665 15.00467 68.07660   23.25950 68.07660   23.25950 ?          ?        80.50665 15.00467 ?        ?        ?         ?        
1 1 1 20 6  13 o 132.8974 9.818112 178.7011   26.09603 178.7011   26.09603 ?          ?        132.8974 9.818112 ?        ?        ?         ?        
1 1 1 20 6  14 o 78.34237 14.28831 65.24007   21.55759 65.24007   21.55759 ?          ?        78.34237 14.28831 ?        ?        ?         ?        
1 1 1 20 6  15 o 54.78542 16.65053 32.33638   19.85567 32.33638   19.85567 ?          ?        54.78542 16.65053 ?        ?        ?         ?        
1 1 1 20 6  16 o 113.4578 9.000254 131.6148   20.42298 131.6148   20.42298 ?          ?        113.4578 9.000254 ?        ?        ?         ?        
1 1 1 20 6  17 o 151.4439 7.866548 234.2970   23.82681 234.2970   23.82681 ?          ?        151.4439 7.866548 ?        ?        ?         ?        
1 1 1 20 7  0  o 30.75990 21.37704 -32.33638  43.68248 -32.33638  43.68248 -32.33638  43.68248 30.75990 21.37704 30.75990 21.37704 -0.000000 0.000000 
1 1 1 20 7  1  o 416.1887 17.51578 1742.761   145.7974 1742.761   145.7974 ?          ?        416.1887 17.51578 ?        ?        ?         ?        
1 1 1 20 7  2  o 246.7442 8.851775 609.8528   43.68248 609.8528   43.68248 ?          ?        246.7442 8.851775 ?        ?        ?         ?        
1 1 1 20 7  3  o 249.3986 8.188890 622.9009   40.84595 622.9009   40.84595 ?          ?        249.3986 8.188890 ?        ?        ?         ?        
1 1 1 20 7  4  o 128.2845 12.60339 165.0858   32.33638 165.0858   32.33638 ?          ?        128.2845 12.60339 ?        ?        ?         ?        
1 1 1 20 7  5  o 800.0886 28.85844 6527.978   461.7863 6527.978   461.7863 ?          ?        800.0886 28.85844 ?        ?        ?         ?        
1 1 1 20 7  6  o 334.9452 10.24704 1124.966   68.64390 1124.966   68.64390 ?          ?        334.9452 10.24704 ?        ?        ?         ?        
1 1 1 20 7  7  o 255.6585 11.87162 656.3718   60.70163 656.3718   60.70163 ?          ?        255.6585 11.87162 ?        ?        ?         ?        
1 1 1 20 7  8  o 161.9929 9.455499 263.2295   30.63447 263.2295   30.63447 ?          ?        161.9929 9.455499 ?        ?        ?         ?        
1 1 1 20 7  9  o 227.0951 10.99162 517.9495   49.92284 517.9495   49.92284 ?          ?        227.0951 10.99162 ?        ?        ?         ?        
1 1 1 20 7  10 o 70.82236 16.34121 52.75936   22.69220 52.75936   22.69220 ?          ?        70.82236 16.34121 ?        ?        ?         ?        
1 1 1 20 7  11 o 152.0922 9.511517 232.5950   28.93255 232.5950   28.93255 ?          ?        152.0922 9.511517 ?        ?        ?         ?        
1 1 1 20 7  12 o 85.09718 15.21567 76.01886   24.96142 76.01886   24.96142 ?          ?        85.09718 15.21567 ?        ?        ?         ?        
1 1 1 20 7  13 o 97.18915 11.09053 95.87454   21.55759 95.87454   21.55759 ?          ?        97.18915 11.09053 ?        ?        ?         ?        
1 1 1 20 7  14 o 153.3395 8.139264 237.7008   24.96142 237.7008   24.96142 ?          ?        153.3395 8.139264 ?        ?        ?         ?        
1 1 1 20 7  15 o 42.84211 16.63240 13.61532   20.42298 13.61532   20.42298 ?          ?        42.84211 16.63240 ?        ?        ?         ?        
1 1 1 20 7  16 o 104.1341 9.533705 111.1918   19.85567 111.1918   19.85567 ?          ?        104.1341 9.533705 ?        ?        ?         ?        
1 1 1 20 7  17 o 95.96149 10.05006 95.30723   19.28837 95.30723   19.28837 ?          ?        95.96149 10.05006 ?        ?        ?         ?        
1 1 1 20 8  1  o 409.4567 12.60811 1682.059   103.2495 1682.059   103.2495 ?          ?        409.4567 12.60811 ?        ?        ?         ?        
1 1 1 20 8  2  o 171.2271 10.27084 293.8640   35.17290 293.8640   35.17290 ?          ?        171.2271 10.27084 ?        ?        ?         ?        
1 1 1 20 8  3  o 398.9688 16.99204 1601.502   135.5859 1601.502   135.5859 ?          ?        398.9688 16.99204 ?        ?        ?         ?        
1 1 1 20 8  4  o 223.1147 9.280710 498.6611   41.41326 498.6611   41.41326 ?          ?        223.1147 9.280710 ?        ?        ?         ?        
1 1 1 20 8  5  o 394.2528 12.95043 1560.656   102.1149 1560.656   102.1149 ?          ?        394.2528 12.95043 ?        ?        ?         ?        
1 1 1 20 8  6  o 431.9871 20.35530 1886.856   175.8645 1886.856   175.8645 ?          ?        431.9871 20.35530 ?        ?        ?         ?        
1 1 1 20 8  7  o 348.2603 16.37113 1222.542   114.0283 1222.542   114.0283 ?          ?        348.2603 16.37113 ?        ?        ?         ?        
1 1 1 20 8  8  o 119.8091 10.41716 144.0954   24.96142 144.0954   24.96142 ?          ?        119.8091 10.41716 ?        ?        ?         ?        
1 1 1 20 8  9  o 363.5492 11.07929 1327.494   80.55730 1327.494   80.55730 ?          ?        363.5492 11.07929 ?        ?        ?         ?        
1 1 1 20 8  10 o 274.1198 8.692117 753.9482   47.65361 753.9482   47.65361 ?          ?        274.1198 8.692117 ?        ?        ?         ?        
1 1 1 20 8  11 o 145.6471 9.348157 213.3067   27.23064 213.3067   27.23064 ?          ?        145.6471 9.348157 ?        ?        ?         ?        
1 1 1 20 8  12 o 159.6541 8.172676 256.4218   26.09603 256.4218   26.09603 ?          ?        159.6541 8.172676 ?        ?        ?         ?        
1 1 1 20 8  13 o 70.92400 16.32540 53.89397   22.69220 53.89397   22.69220 ?          ?        70.92400 16.32540 ?        ?        ?         ?        
1 1 1 20 8  14 o 173.2955 8.020391 303.5081   27.79794 303.5081   27.79794 ?          ?        173.2955 8.020391 ?        ?        ?         ?        
1 1 1 20 8  15 o 125.1090 9.068968 159.4127   22.69220 159.4127   22.69220 ?          ?        125.1090 9.068968 ?        ?        ?         ?        
1 1 1 20 8  16 o 70.08936 13.84797 53.32666   18.72106 53.32666   18.72106 ?          ?        70.08936 13.84797 ?        ?        ?         ?        
1 1 1 20 9  0  o 464.6740 19.73279 2179.586   182.6722 2179.586   182.6722 2179.586   182.6722 464.6740 19.73279 464.6740 19.73279 -0.000000 0.000000 
1 1 1 20 9  1  o 245.3935 8.206951 603.0452   40.27865 603.0452   40.27865 ?          ?        245.3935 8.206951 ?        ?        ?         ?        
1 1 1 20 9  2  o 65.81226 20.81630 43.11518   30.63447 43.11518   30.63447 ?          ?        65.81226 20.81630 ?        ?        ?         ?        
1 1 1 20 9  3  o 491.6103 14.65546 2427.498   144.0954 2427.498   144.0954 ?          ?        491.6103 14.65546 ?        ?        ?         ?        
1 1 1 20 9  4  o 431.9360 12.93700 1872.106   111.7591 1872.106   111.7591 ?          ?        431.9360 12.93700 ?        ?        ?         ?        
1 1 1 20 9  5  o 165.2110 8.584552 273.4410   28.36525 273.4410   28.36525 ?          ?        165.2110 8.584552 ?        ?        ?         ?        
1 1 1 20 9  6  o 285.7690 10.62075 819.1884   60.70163 819.1884   60.70163 ?          ?        285.7690 10.62075 ?        ?        ?         ?        
1 1 1 20 9  7  o 490.0359 18.92807 2426.931   185.5087 2426.931   185.5087 ?          ?        490.0359 18.92807 ?        ?        ?         ?        
1 1 1 20 9  8  o 238.9112 11.51653 573.5453   55.02858 573.5453   55.02858 ?          ?        238.9112 11.51653 ?        ?        ?         ?        
1 1 1 20 9  9  o 337.0080 10.52098 1140.283   70.91312 1140.283   70.91312 ?          ?        337.0080 10.52098 ?        ?        ?         ?        
1 1 1 20 9  10 o 261.8827 8.773338 688.1410   45.95170 688.1410   45.95170 ?          ?        261.8827 8.773338 ?        ?        ?         ?        
1 1 1 20 9  11 o 257.3338 8.597741 665.4487   44.24979 665.4487   44.24979 ?          ?        257.3338 8.597741 ?        ?        ?         ?        
1 1 1 20 9  12 o 159.4938 8.003046 255.8545   25.52872 255.8545   25.52872 ?          ?        159.4938 8.003046 ?        ?        ?         ?        
1 1 1 20 9  13 o 150.7866 8.088955 229.1912   24.39412 229.1912   24.39412 ?          ?        150.7866 8.088955 ?        ?        ?         ?        
1 1 1 20 9  14 o 179.9644 8.038412 327.3350   28.93255 327.3350   28.93255 ?          ?        179.9644 8.038412 ?        ?        ?         ?        
1 1 1 20 9  15 o 64.48559 15.18848 45.38440   19.28837 45.38440   19.28837 ?          ?        64.48559 15.18848 ?        ?        ?         ?        
1 1 1 20 9  16 o 27.16421 12.85937 -20.42298  18.72106 -20.42298  18.72106 ?          ?        27.16421 12.85937 ?        ?        ?         ?        
1 1 1 20 10 0  o 97.66131 30.55019 120.2687   52.19205 120.2687   52.19205 120.2687   52.19205 97.66131 30.55019 97.66131 30.55019 -0.000000 0.000000 
1 1 1 20 10 1  o 175.3872 8.086463 308.0466   28.36525 308.0466   28.36525 ?          ?        175.3872 8.086463 ?        ?        ?         ?        
1 1 1 20 10 2  o 294.1455 9.257543 866.8420   54.46128 866.8420   54.46128 ?          ?        294.1455 9.257543 ?        ?        ?         ?        
1 1 1 20 10 3  f 277.3559 8.590697 770.4002   47.65361 770.4002   47.65361 ?          ?        277.3559 8.590697 ?        ?        ?         ?        
1 1 1 20 10 4  o 285.9642 10.71269 819.7557   61.26894 819.7557   61.26894 ?          ?        285.9642 10.71269 ?        ?        ?         ?        
1 1 1 20 10 5  o 283.6520 10.30002 806.7077   58.43241 806.7077   58.43241 ?          ?        283.6520 10.30002 ?        ?        ?         ?        
1 1 1 20 10 6  o 381.4580 17.69770 1468.185   135.0186 1468.185   135.0186 ?          ?        381.4580 17.69770 ?        ?        ?         ?        
1 1 1 20 10 7  o 571.6337 21.33719 3311.927   243.9411 3311.927   243.9411 ?          ?        571.6337 21.33719 ?        ?        ?         ?        
1 1 1 20 10 8  o 340.0338 13.51386 1164.110   91.90340 1164.110   91.90340 ?          ?        340.0338 13.51386 ?        ?        ?         ?        
1 1 1 20 10 9  o 254.4539 8.026201 648.9968   40.84595 648.9968   40.84595 ?          ?        254.4539 8.026201 ?        ?        ?         ?        
1 1 1 20 10 10 o 128.5701 11.25167 166.2204   28.93255 166.2204   28.93255 ?          ?        128.5701 11.25167 ?        ?        ?         ?        
1 1 1 20 10 11 o 101.6200 12.56087 104.3841   25.52872 104.3841   25.52872 ?          ?        101.6200 12.56087 ?        ?        ?         ?        
1 1 1 20 10 12 o 45.35421 17.21953 15.31723   21.55759 15.31723   21.55759 ?          ?        45.35421 17.21953 ?        ?        ?         ?        
1 1 1 20 10 13 o 169.7763 7.852492 290.4601   26.66333 290.4601   26.66333 ?          ?        169.7763 7.852492 ?        ?        ?         ?        
1 1 1 20 10 14 f 97.45939 11.35083 97.00916   22.12490 97.00916   22.12490 ?          ?        97.45939 11.35083 ?        ?        ?         ?        
1 1 1 20 10 15 o 44.96429 16.22113 18.72106   18.72106 18.72106   18.72106 ?          ?        44.96429 16.22113 ?        ?        ?         ?        
1 1 1 20 10 16 o 76.38493 14.26959 63.53815   20.99029 63.53815   20.99029 ?          ?        76.38493 14.26959 ?        ?        ?         ?        
1 1 1 20 11 0  o 186.1649 15.44229 354.5656   56.73050 354.5656   56.73050 354.5656   56.73050 186.1649 15.44229 186.1649 15.44229 -0.000000 0.000000 
1 1 1 20 11 1  o 505.9032 11.21371 2566.488   113.4610 2566.488   113.4610 ?          ?        505.9032 11.21371 ?        ?        ?         ?        
1 1 1 20 11 2  o 148.6375 8.205908 221.2489   24.39412 221.2489   24.39412 ?          ?        148.6375 8.205908 ?        ?        ?         ?        
1 1 1 20 11 3  o 198.6031 7.284015 394.8442   28.93255 394.8442   28.93255 ?          ?        198.6031 7.284015 ?        ?        ?         ?        
1 1 1 20 11 4  f 413.8770 12.54199 1718.934   103.8168 1718.934   103.8168 ?          ?        413.8770 12.54199 ?        ?        ?         ?        
1 1 1 20 11 5  o 436.5827 20.14104 1925.433   175.8645 1925.433   175.8645 ?          ?        436.5827 20.14104 ?        ?        ?         ?        
1 1 1 20 11 6  o 66.10858 18.55496 45.38440   25.52872 45.38440   25.52872 ?          ?        66.10858 18.55496 ?        ?        ?         ?        
1 1 1 20 11 7  o 474.1086 21.47847 2278.864   203.6625 2278.864   203.6625 ?          ?        474.1086 21.47847 ?        ?        ?         ?        
1 1 1 20 11 8  o 361.9395 13.87152 1319.551   100.4130 1319.551   100.4130 ?          ?        361.9395 13.87152 ?        ?        ?         ?        
1 1 1 20 11 9  o 392.1491 13.01991 1547.608   102.1149 1547.608   102.1149 ?          ?        392.1491 13.01991 ?        ?        ?         ?        
1 1 1 20 11 10 o 298.4383 9.219425 894.0726   55.02858 894.0726   55.02858 ?          ?        298.4383 9.219425 ?        ?        ?         ?        
1 1 1 20 11 11 o 261.4648 10.30616 688.7083   53.89397 688.7083   53.89397 ?          ?        261.4648 10.30616 ?        ?        ?         ?        
1 1 1 20 11 12 o 112.6768 10.57308 128.2109   23.82681 128.2109   23.82681 ?          ?        112.6768 10.57308 ?        ?        ?         ?        
1 1 1 20 11 13 o 63.80462 17.64579 43.68248   23.25950 43.68248   23.25950 ?          ?        63.80462 17.64579 ?        ?        ?         ?        
1 1 1 20 11 14 o 236.5468 9.473197 567.8723   44.81709 567.8723   44.81709 ?          ?        236.5468 9.473197 ?        ?        ?         ?        
1 1 1 20 11 15 o 88.06550 11.27324 79.99000   19.85567 79.99000   19.85567 ?          ?        88.06550 11.27324 ?        ?        ?         ?        
1 1 1 20 11 16 o 68.93682 14.45295 52.19205   19.28837 52.19205   19.28837 ?          ?        68.93682 14.45295 ?        ?        ?         ?        
1 1 1 20 12 0  o 242.8830 11.26332 594.5356   54.46128 594.5356   54.46128 594.5356   54.46128 242.8830 11.26332 242.8830 11.26332 -0.000000 0.000000 
1 1 1 20 12 1  o 286.7021 8.112778 823.1595   46.51900 823.1595   46.51900 ?          ?        286.7021 8.112778 ?        ?        ?         ?        
1 1 1 20 12 2  o 80.07853 16.82765 66.94199   26.09603 66.94199   26.09603 ?          ?        80.07853 16.82765 ?        ?        ?         ?        
1 1 1 20 12 3  o 287.8325 7.489630 829.3998   43.11518 829.3998   43.11518 ?          ?        287.8325 7.489630 ?        ?        ?         ?        
1 1 1 20 12 4  o 301.4760 8.844266 910.5245   53.32666 910.5245   53.32666 ?          ?        301.4760 8.844266 ?        ?        ?         ?        
1 1 1 20 12 5  o 452.8499 16.91204 2065.557   153.1723 2065.557   153.1723 ?          ?        452.8499 16.91204 ?        ?        ?         ?        
1 1 1 20 12 6  f 166.8618 9.009600 279.1140   30.06716 279.1140   30.06716 ?          ?        166.8618 9.009600 ?        ?        ?         ?        
1 1 1 20 12 7  o 299.4858 12.88099 901.4476   77.15348 901.4476   77.15348 ?          ?        299.4858 12.88099 ?        ?        ?         ?        
1 1 1 20 12 8  o 309.2553 9.814162 959.8799   60.70163 959.8799   60.70163 ?          ?        309.2553 9.814162 ?        ?        ?         ?        
1 1 1 20 12 9  o 210.0410 8.778005 442.4978   36.87482 442.4978   36.87482 ?          ?        210.0410 8.778005 ?        ?        ?         ?        
1 1 1 20 12 10 o 229.5190 8.774579 528.7282   40.27865 528.7282   40.27865 ?          ?        229.5190 8.774579 ?        ?        ?         ?        
1 1 1 20 12 11 o 289.5351 9.992762 844.1498   57.86510 844.1498   57.86510 ?          ?        289.5351 9.992762 ?        ?        ?         ?        
1 1 1 20 12 12 o 341.8701 10.70324 1180.562   73.18234 1180.562   73.18234 ?          ?        341.8701 10.70324 ?        ?        ?         ?        
1 1 1 20 12 13 o 44.04358 17.56854 11.34610   23.25950 11.34610   23.25950 ?          ?        44.04358 17.56854 ?        ?        ?         ?        
1 1 1 20 12 14 f 48.37529 17.81857 20.42298   22.69220 20.42298   22.69220 ?          ?        48.37529 17.81857 ?        ?        ?         ?        
1 1 1 20 12 15 o 86.27797 11.83557 77.15348   20.42298 77.15348   20.42298 ?          ?        86.27797 11.83557 ?        ?        ?         ?        
1 1 1 20 12 16 o 91.81237 11.74002 87.93227   21.55759 87.93227   21.55759 ?          ?        91.81237 11.74002 ?        ?        ?         ?        
1 1 1 20 13 0  o 652.9602 21.86112 4299.604   284.7871 4299.604   284.7871 4299.604   284.7871 652.9602 21.86112 652.9602 21.86112 -0.000000 0.000000 
1 1 1 20 13 1  o 114.3265 11.16483 131.0475   25.52872 131.0475   25.52872 ?          ?        114.3265 11.16483 ?        ?        ?         ?        
1 1 1 20 13 2  o 405.9576 10.20138 1651.425   82.82652 1651.425   82.82652 ?          ?        405.9576 10.20138 ?        ?        ?         ?        
1 1 1 20 13 3  o 416.8689 10.34262 1741.626   86.23035 1741.626   86.23035 ?          ?        416.8689 10.34262 ?        ?        ?         ?        
1 1 1 20 13 4  o 352.0145 9.508413 1241.830   66.94199 1241.830   66.94199 ?          ?        352.0145 9.508413 ?        ?        ?         ?        
1 1 1 20 13 5  o 280.5523 8.492824 788.5540   47.65361 788.5540   47.65361 ?          ?        280.5523 8.492824 ?        ?        ?         ?        
1 1 1 20 13 6  o 388.3560 11.90541 1514.704   92.47070 1514.704   92.47070 ?          ?        388.3560 11.90541 ?        ?        ?         ?        
1 1 1 20 13 7  o 470.1064 15.26550 2226.104   143.5282 2226.104   143.5282 ?          ?        470.1064 15.26550 ?        ?        ?         ?        
1 1 1 20 13 8  o 146.5217 15.87445 216.7105   46.51900 216.7105   46.51900 ?          ?        146.5217 15.87445 ?        ?        ?         ?        
1 1 1 20 13 9  o 126.9140 9.610488 161.6819   24.39412 161.6819   24.39412 ?          ?        126.9140 9.610488 ?        ?        ?         ?        
1 1 1 20 13 10 o 175.4676 9.052692 309.1812   31.76908 309.1812   31.76908 ?          ?        175.4676 9.052692 ?        ?        ?         ?        
1 1 1 20 13 11 o 235.9324 8.415833 559.3627   39.71135 559.3627   39.71135 ?          ?        235.9324 8.415833 ?        ?        ?         ?        
1 1 1 20 13 12 o 174.5922 8.610683 306.9120   30.06716 306.9120   30.06716 ?          ?        174.5922 8.610683 ?        ?        ?         ?        
1 1 1 20 13 13 o 81.60551 15.50648 70.91312   24.39412 70.91312   24.39412 ?          ?        81.60551 15.50648 ?        ?        ?         ?        
1 1 1 20 13 14 o 133.7158 8.485233 180.9703   22.69220 180.9703   22.69220 ?          ?        133.7158 8.485233 ?        ?        ?         ?        
1 1 1 20 13 15 o 42.58716 16.25318 14.74993   19.28837 14.74993   19.28837 ?          ?        42.58716 16.25318 ?        ?        ?         ?        
1 1 1 20 13 16 o 58.86858 15.28617 38.57674   18.15376 38.57674   18.15376 ?          ?        58.86858 15.28617 ?        ?        ?         ?        
1 1 1 20 14 0  o 547.4415 18.43991 3017.495   201.3933 3017.495   201.3933 3017.495   201.3933 547.4415 18.43991 547.4415 18.43991 -0.000000 0.000000 
1 1 1 20 14 1  o 370.5868 9.261516 1375.714   68.64390 1375.714   68.64390 ?          ?        370.5868 9.261516 ?        ?        ?         ?        
1 1 1 20 14 2  o 521.8586 11.46875 2730.439   119.7014 2730.439   119.7014 ?          ?        521.8586 11.46875 ?        ?        ?         ?        
1 1 1 20 14 3  o 341.6172 9.299611 1169.216   63.53815 1169.216   63.53815 ?          ?        341.6172 9.299611 ?        ?        ?         ?        
1 1 1 20 14 4  o 116.9985 10.90985 137.2878   25.52872 137.2878   25.52872 ?          ?        116.9985 10.90985 ?        ?        ?         ?        
1 1 1 20 14 5  o 260.6652 8.487859 680.7659   44.24979 680.7659   44.24979 ?          ?        260.6652 8.487859 ?        ?        ?         ?        
1 1 1 20 14 6  o 208.0703 8.997472 433.9883   37.44213 433.9883   37.44213 ?          ?        208.0703 8.997472 ?        ?        ?         ?        
1 1 1 20 14 7  o 270.5374 12.79143 735.7945   69.21120 735.7945   69.21120 ?          ?        270.5374 12.79143 ?        ?        ?         ?        
1 1 1 20 14 8  o 363.5115 18.33734 1337.705   133.3167 1337.705   133.3167 ?          ?        363.5115 18.33734 ?        ?        ?         ?        
1 1 1 20 14 9  o 124.6310 10.01413 156.0089   24.96142 156.0089   24.96142 ?          ?        124.6310 10.01413 ?        ?        ?         ?        
1 1 1 20 14 10 o 216.3718 7.865696 469.7285   34.03830 469.7285   34.03830 ?          ?        216.3718 7.865696 ?        ?        ?         ?        
1 1 1 20 14 11 o 158.0601 9.331847 251.3161   29.49986 251.3161   29.49986 ?          ?        158.0601 9.331847 ?        ?        ?         ?        
1 1 1 20 14 12 o 144.6505 9.216465 211.0374   26.66333 211.0374   26.66333 ?          ?        144.6505 9.216465 ?        ?        ?         ?        
1 1 1 20 14 13 o 149.9648 9.835597 228.0566   29.49986 228.0566   29.49986 ?          ?        149.9648 9.835597 ?        ?        ?         ?        
1 1 1 20 14 14 o 137.3820 8.671738 191.1818   23.82681 191.1818   23.82681 ?          ?        137.3820 8.671738 ?        ?        ?         ?        
1 1 1 20 14 15 o 63.96957 16.34457 45.38440   20.99029 45.38440   20.99029 ?          ?        63.96957 16.34457 ?        ?        ?         ?        
1 1 1 20 14 16 f 26.05602 12.49971 -24.39412  18.72106 -24.39412  18.72106 ?          ?        26.05602 12.49971 ?        ?        ?         ?        
1 1 1 20 15 0  o 350.7812 12.73212 1237.292   89.06688 1237.292   89.06688 1237.292   89.06688 350.7812 12.73212 350.7812 12.73212 -0.000000 0.000000 
1 1 1 20 15 1  o 351.1165 10.66373 1235.590   74.88425 1235.590   74.88425 ?          ?        351.1165 10.66373 ?        ?        ?         ?        
1 1 1 20 15 2  o 300.0706 7.467759 901.4476   44.81709 901.4476   44.81709 ?          ?        300.0706 7.467759 ?        ?        ?         ?        
1 1 1 20 15 3  o 169.9906 7.341999 289.3255   24.96142 289.3255   24.96142 ?          ?        169.9906 7.341999 ?        ?        ?         ?        
1 1 1 20 15 4  o 229.4127 7.418573 527.0263   34.03830 527.0263   34.03830 ?          ?        229.4127 7.418573 ?        ?        ?         ?        
1 1 1 20 15 5  o 318.1795 10.43038 1015.476   66.37468 1015.476   66.37468 ?          ?        318.1795 10.43038 ?        ?        ?         ?        
1 1 1 20 15 6  o 165.3434 8.749230 274.0083   28.93255 274.0083   28.93255 ?          ?        165.3434 8.749230 ?        ?        ?         ?        
1 1 1 20 15 7  o 93.39145 15.48994 87.93227   28.93255 87.93227   28.93255 ?          ?        93.39145 15.48994 ?        ?        ?         ?        
1 1 1 20 15 8  o 404.5609 15.49512 1650.857   125.3744 1650.857   125.3744 ?          ?        404.5609 15.49512 ?        ?        ?         ?        
1 1 1 20 15 9  o 164.5518 8.791320 271.7391   28.93255 271.7391   28.93255 ?          ?        164.5518 8.791320 ?        ?        ?         ?        
1 1 1 20 15 10 f 224.5634 7.957712 506.0360   35.74022 506.0360   35.74022 ?          ?        224.5634 7.957712 ?        ?        ?         ?        
1 1 1 20 15 11 o 117.9627 10.09929 140.1243   23.82681 140.1243   23.82681 ?          ?        117.9627 10.09929 ?        ?        ?         ?        
1 1 1 20 15 12 o 312.4990 10.52921 988.8126   65.80738 988.8126   65.80738 ?          ?        312.4990 10.52921 ?        ?        ?         ?        
1 1 1 20 15 13 o 174.1123 8.471502 306.3447   29.49986 306.3447   29.49986 ?          ?        174.1123 8.471502 ?        ?        ?         ?        
1 1 1 20 15 14 o 89.29170 11.75377 81.69191   20.99029 81.69191   20.99029 ?          ?        89.29170 11.75377 ?        ?        ?         ?        
1 1 1 20 15 15 o 59.16132 16.59315 38.57674   20.42298 38.57674   20.42298 ?          ?        59.16132 16.59315 ?        ?        ?         ?        
1 1 1 20 15 16 o 47.85244 16.76025 23.25950   19.85567 23.25950   19.85567 ?          ?        47.85244 16.76025 ?        ?        ?         ?        
1 1 1 20 16 0  o 188.1638 10.00911 357.4021   37.44213 357.4021   37.44213 357.4021   37.44213 188.1638 10.00911 188.1638 10.00911 -0.000000 0.000000 
1 1 1 20 16 1  o 399.9967 9.076955 1602.637   72.61504 1602.637   72.61504 ?          ?        399.9967 9.076955 ?        ?        ?         ?        
1 1 1 20 16 2  o 316.3887 8.068786 1002.428   51.05745 1002.428   51.05745 ?          ?        316.3887 8.068786 ?        ?        ?         ?        
1 1 1 20 16 3  o 288.2654 7.970382 832.2363   45.95170 832.2363   45.95170 ?          ?        288.2654 7.970382 ?        ?        ?         ?        
1 1 1 20 16 4  o 356.3643 9.790336 1273.032   69.77851 1273.032   69.77851 ?          ?        356.3643 9.790336 ?        ?        ?         ?        
1 1 1 20 16 5  o 208.5121 8.434260 435.6902   35.17290 435.6902   35.17290 ?          ?        208.5121 8.434260 ?        ?        ?         ?        
1 1 1 20 16 6  o 201.2078 8.035570 405.6230   32.33638 405.6230   32.33638 ?          ?        201.2078 8.035570 ?        ?        ?         ?        
1 1 1 20 16 7  o 63.33964 19.30380 40.84595   26.66333 40.84595   26.66333 ?          ?        63.33964 19.30380 ?        ?        ?         ?        
1 1 1 20 16 8  o 300.1008 9.829982 903.7169   58.99971 903.7169   58.99971 ?          ?        300.1008 9.829982 ?        ?        ?         ?        
1 1 1 20 16 9  o 146.7578 8.697568 216.1432   25.52872 216.1432   25.52872 ?          ?        146.7578 8.697568 ?        ?        ?         ?        
1 1 1 20 16 10 o 77.94636 15.09502 63.53815   22.69220 63.53815   22.69220 ?          ?        77.94636 15.09502 ?        ?        ?         ?        
1 1 1 20 16 11 o 107.7030 10.27126 116.8648   22.12490 116.8648   22.12490 ?          ?        107.7030 10.27126 ?        ?        ?         ?        
1 1 1 20 16 12 o 101.9372 13.07832 106.0860   26.66333 106.0860   26.66333 ?          ?        101.9372 13.07832 ?        ?        ?         ?        
1 1 1 20 16 13 o 152.0924 8.392507 233.7296   25.52872 233.7296   25.52872 ?          ?        152.0924 8.392507 ?        ?        ?         ?        
1 1 1 20 16 14 o 122.2205 9.747469 152.0377   23.82681 152.0377   23.82681 ?          ?        122.2205 9.747469 ?        ?        ?         ?        
1 1 1 20 16 15 o 54.29715 16.96534 31.76908   20.42298 31.76908   20.42298 ?          ?        54.29715 16.96534 ?        ?        ?         ?        
1 1 1 20 16 16 o 58.73535 15.99239 38.57674   19.28837 38.57674   19.28837 ?          ?        58.73535 15.99239 ?        ?        ?         ?        
1 1 1 20 17 0  o 314.6764 10.30030 994.4856   64.67276 994.4856   64.67276 994.4856   64.67276 314.6764 10.30030 314.6764 10.30030 -0.000000 0.000000 
1 1 1 20 17 1  o 403.0799 9.922351 1628.165   79.99000 1628.165   79.99000 ?          ?        403.0799 9.922351 ?        ?        ?         ?        
1 1 1 20 17 2  o 772.0980 16.86269 6000.385   260.3930 6000.385   260.3930 ?          ?        772.0980 16.86269 ?        ?        ?         ?        
1 1 1 20 17 3  o 369.1325 9.298003 1365.503   68.64390 1365.503   68.64390 ?          ?        369.1325 9.298003 ?        ?        ?         ?        
1 1 1 20 17 4  o 278.6161 8.653651 777.7751   48.22092 777.7751   48.22092 ?          ?        278.6161 8.653651 ?        ?        ?         ?        
1 1 1 20 17 5  o 266.9211 9.032804 714.2369   48.22092 714.2369   48.22092 ?          ?        266.9211 9.032804 ?        ?        ?         ?        
1 1 1 20 17 6  o 274.2551 8.894682 753.9482   48.78823 753.9482   48.78823 ?          ?        274.2551 8.894682 ?        ?        ?         ?        
1 1 1 20 17 7  o 294.5641 9.822161 870.8131   57.86510 870.8131   57.86510 ?          ?        294.5641 9.822161 ?        ?        ?         ?        
1 1 1 20 17 8  o 295.4185 10.08180 875.9189   59.56702 875.9189   59.56702 ?          ?        295.4185 10.08180 ?        ?        ?         ?        
1 1 1 20 17 9  o 150.1720 9.066484 226.3547   27.23064 226.3547   27.23064 ?          ?        150.1720 9.066484 ?        ?        ?         ?        
1 1 1 20 17 10 o 152.7309 8.728862 234.2970   26.66333 234.2970   26.66333 ?          ?        152.7309 8.728862 ?        ?        ?         ?        
1 1 1 20 17 11 o 157.1025 9.388731 248.4796   29.49986 248.4796   29.49986 ?          ?        157.1025 9.388731 ?        ?        ?         ?        
1 1 1 20 17 12 o 109.0359 11.44642 120.8360   24.96142 120.8360   24.96142 ?          ?        109.0359 11.44642 ?        ?        ?         ?        
1 1 1 20 17 13 o 155.6864 10.93169 246.7777   34.03830 246.7777   34.03830 ?          ?        155.6864 10.93169 ?        ?        ?         ?        
1 1 1 20 17 14 o 128.3137 9.947780 167.9223   25.52872 167.9223   25.52872 ?          ?        128.3137 9.947780 ?        ?        ?         ?        
1 1 1 20 17 15 o 45.92923 17.09589 18.72106   20.99029 18.72106   20.99029 ?          ?        45.92923 17.09589 ?        ?        ?         ?        
1 1 1 20 17 16 o 44.50638 16.96398 17.01915   20.99029 17.01915   20.99029 ?          ?        44.50638 16.96398 ?        ?        ?         ?        
1 1 1 20 18 0  o 377.0093 18.14675 1436.416   136.1532 1436.416   136.1532 1436.416   136.1532 377.0093 18.14675 377.0093 18.14675 -0.000000 0.000000 
1 1 1 20 18 1  o 52.16851 16.78505 26.66333   19.85567 26.66333   19.85567 ?          ?        52.16851 16.78505 ?        ?        ?         ?        
1 1 1 20 18 2  o 394.2164 9.210047 1557.252   72.61504 1557.252   72.61504 ?          ?        394.2164 9.210047 ?        ?        ?         ?        
1 1 1 20 18 3  f 439.4478 10.77943 1936.779   94.73994 1936.779   94.73994 ?          ?        439.4478 10.77943 ?        ?        ?         ?        
1 1 1 20 18 4  f 576.7045 15.05063 3346.532   173.5953 3346.532   173.5953 ?          ?        576.7045 15.05063 ?        ?        ?         ?        
1 1 1 20 18 5  o 422.1019 12.29760 1789.847   103.8168 1789.847   103.8168 ?          ?        422.1019 12.29760 ?        ?        ?         ?        
1 1 1 20 18 6  o 128.0846 9.522656 164.5184   24.39412 164.5184   24.39412 ?          ?        128.0846 9.522656 ?        ?        ?         ?        
1 1 1 20 18 7  o 179.2947 7.910231 322.2292   28.36525 322.2292   28.36525 ?          ?        179.2947 7.910231 ?        ?        ?         ?        
1 1 1 20 18 8  o 306.4184 13.33012 945.1301   81.69191 945.1301   81.69191 ?          ?        306.4184 13.33012 ?        ?        ?         ?        
1 1 1 20 18 9  o 255.4789 9.437358 655.2372   48.22092 655.2372   48.22092 ?          ?        255.4789 9.437358 ?        ?        ?         ?        
1 1 1 20 18 10 o 405.7399 12.58379 1662.771   102.1149 1662.771   102.1149 ?          ?        405.7399 12.58379 ?        ?        ?         ?        
1 1 1 20 18 11 o 258.4518 8.670302 672.2563   44.81709 672.2563   44.81709 ?          ?        258.4518 8.670302 ?        ?        ?         ?        
1 1 1 20 18 12 o 171.3098 9.437984 296.7005   32.33638 296.7005   32.33638 ?          ?        171.3098 9.437984 ?        ?        ?         ?        
1 1 1 20 18 13 o 202.6156 8.539718 415.2672   34.60560 415.2672   34.60560 ?          ?        202.6156 8.539718 ?        ?        ?         ?        
1 1 1 20 18 14 o 207.1661 8.352140 435.6902   34.60560 435.6902   34.60560 ?          ?        207.1661 8.352140 ?        ?        ?         ?        
1 1 1 20 18 15 o 41.19205 16.71627 9.644185   21.55759 9.644185   21.55759 ?          ?        41.19205 16.71627 ?        ?        ?         ?        
1 1 1 20 18 16 o 82.93256 11.97098 72.04772   19.85567 72.04772   19.85567 ?          ?        82.93256 11.97098 ?        ?        ?         ?        
1 1 1 20 19 0  o 876.0629 27.25565 7764.703   476.5362 7764.703   476.5362 7764.703   476.5362 876.0629 27.25565 876.0629 27.25565 -0.000000 0.000000 
1 1 1 20 19 1  o 266.5523 7.236242 711.4004   38.57674 711.4004   38.57674 ?          ?        266.5523 7.236242 ?        ?        ?         ?        
1 1 1 20 19 2  o 239.4560 7.107421 574.1126   34.03830 574.1126   34.03830 ?          ?        239.4560 7.107421 ?        ?        ?         ?        
1 1 1 20 19 3  o 239.0750 7.593331 572.4106   36.30752 572.4106   36.30752 ?          ?        239.0750 7.593331 ?        ?        ?         ?        
1 1 1 20 19 4  o 526.8334 13.83714 2791.140   145.7974 2791.140   145.7974 ?          ?        526.8334 13.83714 ?        ?        ?         ?        
1 1 1 20 19 5  o 222.0390 8.686927 494.1226   38.57674 494.1226   38.57674 ?          ?        222.0390 8.686927 ?        ?        ?         ?        
1 1 1 20 19 6  o 198.6567 7.710402 395.4115   30.63447 395.4115   30.63447 ?          ?        198.6567 7.710402 ?        ?        ?         ?        
1 1 1 20 19 7  o 100.1997 12.45583 100.9803   24.96142 100.9803   24.96142 ?          ?        100.1997 12.45583 ?        ?        ?         ?        
1 1 1 20 19 8  o 372.5994 10.58179 1394.436   78.85539 1394.436   78.85539 ?          ?        372.5994 10.58179 ?        ?        ?         ?        
1 1 1 20 19 9  o 179.1392 9.500516 322.2292   34.03830 322.2292   34.03830 ?          ?        179.1392 9.500516 ?        ?        ?         ?        
1 1 1 20 19 10 o 122.8286 10.62295 152.0377   26.09603 152.0377   26.09603 ?          ?        122.8286 10.62295 ?        ?        ?         ?        
1 1 1 20 19 11 o 109.3219 13.23274 121.4033   28.93255 121.4033   28.93255 ?          ?        109.3219 13.23274 ?        ?        ?         ?        
1 1 1 20 19 12 o 51.18698 17.71457 24.96142   22.12490 24.96142   22.12490 ?          ?        51.18698 17.71457 ?        ?        ?         ?        
1 1 1 20 19 13 o 53.09200 18.57895 27.23064   24.39412 27.23064   24.39412 ?          ?        53.09200 18.57895 ?        ?        ?         ?        
1 1 1 20 19 14 o 48.08804 17.40088 21.55759   21.55759 21.55759   21.55759 ?          ?        48.08804 17.40088 ?        ?        ?         ?        
1 1 1 20 19 15 o 88.89618 12.12515 82.25922   21.55759 82.25922   21.55759 ?          ?        88.89618 12.12515 ?        ?        ?         ?        
1 1 1 20 19 16 f 112.1084 9.867637 129.9128   22.12490 129.9128   22.12490 ?          ?        112.1084 9.867637 ?        ?        ?         ?        
1 1 1 20 20 0  o 546.2978 17.32859 3004.447   188.9126 3004.447   188.9126 3004.447   188.9126 546.2978 17.32859 546.2978 17.32859 -0.000000 0.000000 
1 1 1 20 20 1  f 503.6941 11.54446 2545.498   116.2975 2545.498   116.2975 ?          ?        503.6941 11.54446 ?        ?        ?         ?        
1 1 1 20 20 2  f 136.0939 7.920115 185.5087   21.55759 185.5087   21.55759 ?          ?        136.0939 7.920115 ?        ?        ?         ?        
1 1 1 20 20 3  o 353.4119 8.587945 1251.475   60.70163 1251.475   60.70163 ?          ?        353.4119 8.587945 ?        ?        ?         ?        
1 1 1 20 20 4  o 146.8495 8.692139 216.1432   25.52872 216.1432   25.52872 ?          ?        146.8495 8.692139 ?        ?        ?         ?        
1 1 1 20 20 5  o 185.6638 8.708319 345.4887   32.33638 345.4887   32.33638 ?          ?        185.6638 8.708319 ?        ?        ?         ?        
1 1 1 20 20 6  o 282.9008 8.121523 802.1692   45.95170 802.1692   45.95170 ?          ?        282.9008 8.121523 ?        ?        ?         ?        
1 1 1 20 20 7  o 89.09148 14.64563 79.99000   26.09603 79.99000   26.09603 ?          ?        89.09148 14.64563 ?        ?        ?         ?        
1 1 1 20 20 8  o 146.2745 10.66548 215.0086   31.20177 215.0086   31.20177 ?          ?        146.2745 10.66548 ?        ?        ?         ?        
1 1 1 20 20 9  o 133.8713 11.44176 180.4030   30.63447 180.4030   30.63447 ?          ?        133.8713 11.44176 ?        ?        ?         ?        
1 1 1 20 20 10 o 444.2657 13.28028 1998.048   117.9994 1998.048   117.9994 ?          ?        444.2657 13.28028 ?        ?        ?         ?        
1 1 1 20 20 11 f 166.1786 9.900097 278.5467   32.90369 278.5467   32.90369 ?          ?        166.1786 9.900097 ?        ?        ?         ?        
1 1 1 20 20 12 f 223.8316 8.490630 505.4687   38.00943 505.4687   38.00943 ?          ?        223.8316 8.490630 ?        ?        ?         ?        
1 1 1 20 20 13 o 203.5798 8.359939 419.2384   34.03830 419.2384   34.03830 ?          ?        203.5798 8.359939 ?        ?        ?         ?        
1 1 1 20 20 14 o 127.1300 8.924801 164.5184   22.69220 164.5184   22.69220 ?          ?        127.1300 8.924801 ?        ?        ?         ?        
1 1 1 20 20 15 o 125.4506 9.270386 161.1146   23.25950 161.1146   23.25950 ?          ?        125.4506 9.270386 ?        ?        ?         ?        
1 1 1 20 20 16 o 49.63932 17.86371 24.96142   22.69220 24.96142   22.69220 ?          ?        49.63932 17.86371 ?        ?        ?         ?        
1 1 1 20 21 0  f 575.2045 18.23693 3332.349   209.3355 3332.349   209.3355 3332.349   209.3355 575.2045 18.23693 575.2045 18.23693 -0.000000 0.000000 
1 1 1 20 21 1  o 263.5480 7.318730 695.5159   38.57674 695.5159   38.57674 ?          ?        263.5480 7.318730 ?        ?        ?         ?        
1 1 1 20 21 2  o 112.5869 9.825701 127.0763   22.12490 127.0763   22.12490 ?          ?        112.5869 9.825701 ?        ?        ?         ?        
1 1 1 20 21 3  o 105.8076 10.72333 112.3264   22.69220 112.3264   22.69220 ?          ?        105.8076 10.72333 ?        ?        ?         ?        
1 1 1 20 21 4  o 261.0323 7.280601 682.4679   38.00943 682.4679   38.00943 ?          ?        261.0323 7.280601 ?        ?        ?         ?        
1 1 1 20 21 5  o 280.3644 7.587958 787.4193   42.54787 787.4193   42.54787 ?          ?        280.3644 7.587958 ?        ?        ?         ?        
1 1 1 20 21 6  o 260.4007 7.842906 679.6313   40.84595 679.6313   40.84595 ?          ?        260.4007 7.842906 ?        ?        ?         ?        
1 1 1 20 21 7  o 259.1603 8.537147 673.3909   44.24979 673.3909   44.24979 ?          ?        259.1603 8.537147 ?        ?        ?         ?        
1 1 1 20 21 8  o 192.5977 10.16213 372.7193   39.14404 372.7193   39.14404 ?          ?        192.5977 10.16213 ?        ?        ?         ?        
1 1 1 20 21 9  o 64.02828 18.74721 42.54787   25.52872 42.54787   25.52872 ?          ?        64.02828 18.74721 ?        ?        ?         ?        
1 1 1 20 21 10 o 121.6702 13.05541 149.7685   31.76908 149.7685   31.76908 ?          ?        121.6702 13.05541 ?        ?        ?         ?        
1 1 1 20 21 11 o 141.5989 10.61702 202.5279   30.06716 202.5279   30.06716 ?          ?        141.5989 10.61702 ?        ?        ?         ?        
1 1 1 20 21 12 o 148.3902 9.748811 222.9509   28.93255 222.9509   28.93255 ?          ?        148.3902 9.748811 ?        ?        ?         ?        
1 1 1 20 21 13 o 125.5405 10.61942 160.5473   26.66333 160.5473   26.66333 ?          ?        125.5405 10.61942 ?        ?        ?         ?        
1 1 1 20 21 14 o 185.9524 8.694799 351.7291   32.33638 351.7291   32.33638 ?          ?        185.9524 8.694799 ?        ?        ?         ?        
1 1 1 20 21 15 o 52.18586 16.23056 29.49986   18.72106 29.49986   18.72106 ?          ?        52.18586 16.23056 ?        ?        ?         ?        
1 1 1 20 21 16 o 176.8964 7.696777 319.3927   27.23064 319.3927   27.23064 ?          ?        176.8964 7.696777 ?        ?        ?         ?        
1 1 1 20 22 0  o 33.65895 20.97205 8.509575   27.79794 8.509575   27.79794 8.509575   27.79794 33.65895 20.97205 33.65895 20.97205 -0.000000 0.000000 
1 1 1 20 22 1  o 563.7889 12.52764 3191.657   141.2589 3191.657   141.2589 ?          ?        563.7889 12.52764 ?        ?        ?         ?        
1 1 1 20 22 2  o 391.6828 9.414460 1537.964   73.74965 1537.964   73.74965 ?          ?        391.6828 9.414460 ?        ?        ?         ?        
1 1 1 20 22 3  o 93.60310 10.90935 87.93227   20.42298 87.93227   20.42298 ?          ?        93.60310 10.90935 ?        ?        ?         ?        
1 1 1 20 22 4  o 252.3233 7.194643 637.6508   36.30752 637.6508   36.30752 ?          ?        252.3233 7.194643 ?        ?        ?         ?        
1 1 1 20 22 5  o 217.0624 7.448639 471.9977   32.33638 471.9977   32.33638 ?          ?        217.0624 7.448639 ?        ?        ?         ?        
1 1 1 20 22 6  o 396.7875 11.00904 1581.646   87.36497 1581.646   87.36497 ?          ?        396.7875 11.00904 ?        ?        ?         ?        
1 1 1 20 22 7  f 170.9129 7.634308 292.7294   26.09603 292.7294   26.09603 ?          ?        170.9129 7.634308 ?        ?        ?         ?        
1 1 1 20 22 8  o 455.1273 12.34011 2085.980   112.3264 2085.980   112.3264 ?          ?        455.1273 12.34011 ?        ?        ?         ?        
1 1 1 20 22 9  o 287.3819 9.475418 829.9672   54.46128 829.9672   54.46128 ?          ?        287.3819 9.475418 ?        ?        ?         ?        
1 1 1 20 22 10 o 421.0461 12.80002 1792.684   107.7879 1792.684   107.7879 ?          ?        421.0461 12.80002 ?        ?        ?         ?        
1 1 1 20 22 11 o 141.3268 10.43676 201.9606   29.49986 201.9606   29.49986 ?          ?        141.3268 10.43676 ?        ?        ?         ?        
1 1 1 20 22 12 o 205.0218 9.269606 425.4788   38.00943 425.4788   38.00943 ?          ?        205.0218 9.269606 ?        ?        ?         ?        
1 1 1 20 22 13 o 62.66434 17.46319 42.54787   22.69220 42.54787   22.69220 ?          ?        62.66434 17.46319 ?        ?        ?         ?        
1 1 1 20 22 14 o 152.9789 8.529289 238.2681   26.09603 238.2681   26.09603 ?          ?        152.9789 8.529289 ?        ?        ?         ?        
1 1 1 20 22 15 o 82.92753 12.65580 72.04772   20.99029 72.04772   20.99029 ?          ?        82.92753 12.65580 ?        ?        ?         ?        
1 1 1 20 23 0  o 425.0408 14.18253 1817.645   120.2687 1817.645   120.2687 1817.645   120.2687 425.0408 14.18253 425.0408 14.18253 -0.000000 0.000000 
1 1 1 20 23 1  o 330.2434 8.073842 1092.629   53.32666 1092.629   53.32666 ?          ?        330.2434 8.073842 ?        ?        ?         ?        
1 1 1 20 23 2  o 483.6270 11.02640 2347.508   106.6533 2347.508   106.6533 ?          ?        483.6270 11.02640 ?        ?        ?         ?        
1 1 1 20 23 3  o 68.60132 16.67772 49.35553   22.69220 49.35553   22.69220 ?          ?        68.60132 16.67772 ?        ?        ?         ?        
1 1 1 20 23 4  o 424.4530 11.36072 1808.568   96.44185 1808.568   96.44185 ?          ?        424.4530 11.36072 ?        ?        ?         ?        
1 1 1 20 23 5  o 172.2055 8.400591 297.2678   28.93255 297.2678   28.93255 ?          ?        172.2055 8.400591 ?        ?        ?         ?        
1 1 1 20 23 6  o 299.3140 8.055241 898.0438   48.22092 898.0438   48.22092 ?          ?        299.3140 8.055241 ?        ?        ?         ?        
1 1 1 20 23 7  o 286.3832 7.725625 822.0249   44.24979 822.0249   44.24979 ?          ?        286.3832 7.725625 ?        ?        ?         ?        
1 1 1 20 23 8  o 134.6695 9.688913 182.1049   26.09603 182.1049   26.09603 ?          ?        134.6695 9.688913 ?        ?        ?         ?        
1 1 1 20 23 9  f 109.2506 11.42393 120.2687   24.96142 120.2687   24.96142 ?          ?        109.2506 11.42393 ?        ?        ?         ?        
1 1 1 20 23 10 o 198.4368 7.576004 395.4115   30.06716 395.4115   30.06716 ?          ?        198.4368 7.576004 ?        ?        ?         ?        
1 1 1 20 23 11 o 154.0676 9.573674 239.9700   29.49986 239.9700   29.49986 ?          ?        154.0676 9.573674 ?        ?        ?         ?        
1 1 1 20 23 12 o 37.69981 15.99706 1.701915   20.99029 1.701915   20.99029 ?          ?        37.69981 15.99706 ?        ?        ?         ?        
1 1 1 20 23 13 o 72.01625 16.15477 56.16319   22.69220 56.16319   22.69220 ?          ?        72.01625 16.15477 ?        ?        ?         ?        
1 1 1 20 23 14 o 78.85929 12.22961 64.67276   19.28837 64.67276   19.28837 ?          ?        78.85929 12.22961 ?        ?        ?         ?        
1 1 1 20 23 15 o 50.99434 17.50155 27.23064   21.55759 27.23064   21.55759 ?          ?        50.99434 17.50155 ?        ?        ?         ?        
1 1 1 20 24 0  o 187.9662 10.78858 357.4021   40.27865 357.4021   40.27865 357.4021   40.27865 187.9662 10.78858 187.9662 10.78858 -0.000000 0.000000 
1 1 1 20 24 1  o 260.1347 7.741884 677.9294   40.27865 677.9294   40.27865 ?          ?        260.1347 7.741884 ?        ?        ?         ?        
1 1 1 20 24 2  o 234.5091 7.378308 550.8531   34.60560 550.8531   34.60560 ?          ?        234.5091 7.378308 ?        ?        ?         ?        
1 1 1 20 24 3  o 114.0517 10.19691 130.4801   23.25950 130.4801   23.25950 ?          ?        114.0517 10.19691 ?        ?        ?         ?        
1 1 1 20 24 4  o 361.5851 8.629165 1310.474   62.40355 1310.474   62.40355 ?          ?        361.5851 8.629165 ?        ?        ?         ?        
1 1 1 20 24 5  o 90.72003 13.13205 82.82652   23.82681 82.82652   23.82681 ?          ?        90.72003 13.13205 ?        ?        ?         ?        
1 1 1 20 24 6  o 347.9627 8.640917 1214.033   60.13433 1214.033   60.13433 ?          ?        347.9627 8.640917 ?        ?        ?         ?        
1 1 1 20 24 7  o 275.1455 7.938069 759.0541   43.68248 759.0541   43.68248 ?          ?        275.1455 7.938069 ?        ?        ?         ?        
1 1 1 20 24 8  o 140.2515 8.898807 197.4221   24.96142 197.4221   24.96142 ?          ?        140.2515 8.898807 ?        ?        ?         ?        
1 1 1 20 24 9  o 219.2573 9.055878 483.3438   39.71135 483.3438   39.71135 ?          ?        219.2573 9.055878 ?        ?        ?         ?        
1 1 1 20 24 10 o 295.7885 8.726633 880.4573   51.62476 880.4573   51.62476 ?          ?        295.7885 8.726633 ?        ?        ?         ?        
1 1 1 20 24 11 o 111.6846 10.66701 126.5090   23.82681 126.5090   23.82681 ?          ?        111.6846 10.66701 ?        ?        ?         ?        
1 1 1 20 24 12 o 216.8752 8.501394 475.4016   36.87482 475.4016   36.87482 ?          ?        216.8752 8.501394 ?        ?        ?         ?        
1 1 1 20 24 13 o 90.65219 12.51608 84.52843   22.69220 84.52843   22.69220 ?          ?        90.65219 12.51608 ?        ?        ?         ?        
1 1 1 20 24 14 o 163.1255 8.172645 270.6045   26.66333 270.6045   26.66333 ?          ?        163.1255 8.172645 ?        ?        ?         ?        
1 1 1 20 24 15 o 29.33961 13.75615 -18.15376  20.42298 -18.15376  20.42298 ?          ?        29.33961 13.75615 ?        ?        ?         ?        
1 1 1 20 25 0  o 129.7607 14.06157 174.7299   35.74022 174.7299   35.74022 174.7299   35.74022 129.7607 14.06157 129.7607 14.06157 -0.000000 0.000000 
1 1 1 20 25 1  o 582.5596 13.04911 3411.205   152.0377 3411.205   152.0377 ?          ?        582.5596 13.04911 ?        ?        ?         ?        
1 1 1 20 25 2  o 80.96786 14.92323 68.07660   23.25950 68.07660   23.25950 ?          ?        80.96786 14.92323 ?        ?        ?         ?        
1 1 1 20 25 3  o 119.4199 9.025963 142.9609   21.55759 142.9609   21.55759 ?          ?        119.4199 9.025963 ?        ?        ?         ?        
1 1 1 20 25 4  o 524.9516 11.72538 2768.448   123.1052 2768.448   123.1052 ?          ?        524.9516 11.72538 ?        ?        ?         ?        
1 1 1 20 25 5  o 60.98176 17.32479 38.57674   22.12490 38.57674   22.12490 ?          ?        60.98176 17.32479 ?        ?        ?         ?        
1 1 1 20 25 6  o 139.9121 8.717660 196.2875   24.39412 196.2875   24.39412 ?          ?        139.9121 8.717660 ?        ?        ?         ?        
1 1 1 20 25 7  o 226.9248 7.374908 516.2476   33.47099 516.2476   33.47099 ?          ?        226.9248 7.374908 ?        ?        ?         ?        
1 1 1 20 25 8  o 54.86230 17.47337 30.06716   21.55759 30.06716   21.55759 ?          ?        54.86230 17.47337 ?        ?        ?         ?        
1 1 1 20 25 9  o 87.27409 24.61374 81.69191   44.81709 81.69191   44.81709 ?          ?        87.27409 24.61374 ?        ?        ?         ?        
1 1 1 20 25 10 o 404.1926 11.29859 1652.559   91.33610 1652.559   91.33610 ?          ?        404.1926 11.29859 ?        ?        ?         ?        
1 1 1 20 25 11 o 83.40374 12.58354 70.91312   20.99029 70.91312   20.99029 ?          ?        83.40374 12.58354 ?        ?        ?         ?        
1 1 1 20 25 12 o 246.7427 8.736869 616.0932   43.11518 616.0932   43.11518 ?          ?        246.7427 8.736869 ?        ?        ?         ?        
1 1 1 20 25 13 o 44.29589 16.77708 15.88454   20.42298 15.88454   20.42298 ?          ?        44.29589 16.77708 ?        ?        ?         ?        
1 1 1 20 25 14 o 98.88605 11.47391 100.9803   22.69220 100.9803   22.69220 ?          ?        98.88605 11.47391 ?        ?        ?         ?        
1 1 1 20 25 15 o 77.72096 14.01579 65.80738   20.99029 65.80738   20.99029 ?          ?        77.72096 14.01579 ?        ?        ?         ?        
1 1 1 20 26 0  o 325.8081 11.61137 1067.668   75.45156 1067.668   75.45156 1067.668   75.45156 325.8081 11.61137 325.8081 11.61137 -0.000000 0.000000 
1 1 1 20 26 1  o 286.7462 7.814766 823.7267   44.81709 823.7267   44.81709 ?          ?        286.7462 7.814766 ?        ?        ?         ?        
1 1 1 20 26 2  o 792.0867 17.43985 6331.124   276.2775 6331.124   276.2775 ?          ?        792.0867 17.43985 ?        ?        ?         ?        
1 1 1 20 26 3  o 129.8486 9.174846 169.0569   23.82681 169.0569   23.82681 ?          ?        129.8486 9.174846 ?        ?        ?         ?        
1 1 1 20 26 4  o 271.8752 8.033552 740.9003   43.68248 740.9003   43.68248 ?          ?        271.8752 8.033552 ?        ?        ?         ?        
1 1 1 20 26 5  o 70.11430 16.44849 51.62476   22.69220 51.62476   22.69220 ?          ?        70.11430 16.44849 ?        ?        ?         ?        
1 1 1 20 26 6  o 199.7915 7.240687 399.9500   28.93255 399.9500   28.93255 ?          ?        199.7915 7.240687 ?        ?        ?         ?        
1 1 1 20 26 7  o 119.2808 10.22550 142.9609   24.39412 142.9609   24.39412 ?          ?        119.2808 10.22550 ?        ?        ?         ?        
1 1 1 20 26 8  o 249.2726 7.851654 623.4681   39.14404 623.4681   39.14404 ?          ?        249.2726 7.851654 ?        ?        ?         ?        
1 1 1 20 26 9  o 60.86881 20.27845 36.30752   28.93255 36.30752   28.93255 ?          ?        60.86881 20.27845 ?        ?        ?         ?        
1 1 1 20 26 10 o 39.40887 16.67304 1.701915   22.69220 1.701915   22.69220 ?          ?        39.40887 16.67304 ?        ?        ?         ?        
1 1 1 20 26 11 o 57.36930 18.13762 34.03830   23.25950 34.03830   23.25950 ?          ?        57.36930 18.13762 ?        ?        ?         ?        
1 1 1 20 26 12 o 179.4992 8.059241 325.6331   28.93255 325.6331   28.93255 ?          ?        179.4992 8.059241 ?        ?        ?         ?        
1 1 1 20 26 13 o 47.36104 17.56716 19.85567   22.12490 19.85567   22.12490 ?          ?        47.36104 17.56716 ?        ?        ?         ?        
1 1 1 20 26 14 o 254.4340 9.699082 663.7468   49.35553 663.7468   49.35553 ?          ?        254.4340 9.699082 ?        ?        ?         ?        
1 1 1 20 26 15 o 56.43890 18.40241 35.17290   23.82681 35.17290   23.82681 ?          ?        56.43890 18.40241 ?        ?        ?         ?        
1 1 1 20 27 0  f 171.7981 11.32790 299.5370   38.57674 299.5370   38.57674 299.5370   38.57674 171.7981 11.32790 171.7981 11.32790 -0.000000 0.000000 
1 1 1 20 27 1  o 206.7602 7.956969 428.3152   32.90369 428.3152   32.90369 ?          ?        206.7602 7.956969 ?        ?        ?         ?        
1 1 1 20 27 2  o 89.50545 13.31026 80.55730   23.82681 80.55730   23.82681 ?          ?        89.50545 13.31026 ?        ?        ?         ?        
1 1 1 20 27 3  o 40.01182 16.66951 3.403830   22.12490 3.403830   22.12490 ?          ?        40.01182 16.66951 ?        ?        ?         ?        
1 1 1 20 27 4  o 279.1458 8.129155 781.1789   45.38440 781.1789   45.38440 ?          ?        279.1458 8.129155 ?        ?        ?         ?        
1 1 1 20 27 5  o 104.1338 11.16809 108.9226   23.25950 108.9226   23.25950 ?          ?        104.1338 11.16809 ?        ?        ?         ?        
1 1 1 20 27 6  o 117.3922 10.39001 138.4224   24.39412 138.4224   24.39412 ?          ?        117.3922 10.39001 ?        ?        ?         ?        
1 1 1 20 27 7  o 126.6620 9.853552 161.1146   24.96142 161.1146   24.96142 ?          ?        126.6620 9.853552 ?        ?        ?         ?        
1 1 1 20 27 8  o 305.8176 8.254943 938.8898   50.49014 938.8898   50.49014 ?          ?        305.8176 8.254943 ?        ?        ?         ?        
1 1 1 20 27 9  f 187.3114 7.723115 352.2964   28.93255 352.2964   28.93255 ?          ?        187.3114 7.723115 ?        ?        ?         ?        
1 1 1 20 27 10 o 423.6707 11.85036 1819.347   100.4130 1819.347   100.4130 ?          ?        423.6707 11.85036 ?        ?        ?         ?        
1 1 1 20 27 11 o 81.96702 12.80410 68.64390   20.99029 68.64390   20.99029 ?          ?        81.96702 12.80410 ?        ?        ?         ?        
1 1 1 20 27 12 f 101.3475 11.47513 104.9514   23.25950 104.9514   23.25950 ?          ?        101.3475 11.47513 ?        ?        ?         ?        
1 1 1 20 27 13 o 53.69167 19.35965 27.79794   26.66333 27.79794   26.66333 ?          ?        53.69167 19.35965 ?        ?        ?         ?        
1 1 1 20 27 14 o 64.24532 16.30280 45.95170   20.99029 45.95170   20.99029 ?          ?        64.24532 16.30280 ?        ?        ?         ?        
1 1 1 20 27 15 o 71.41665 15.15477 56.73050   20.99029 56.73050   20.99029 ?          ?        71.41665 15.15477 ?        ?        ?         ?        
1 1 1 20 28 0  o 245.5196 11.02324 607.5836   53.89397 607.5836   53.89397 607.5836   53.89397 245.5196 11.02324 245.5196 11.02324 -0.000000 0.000000 
1 1 1 20 28 1  o 217.0684 7.317758 471.9977   31.76908 471.9977   31.76908 ?          ?        217.0684 7.317758 ?        ?        ?         ?        
1 1 1 20 28 2  o 205.2350 7.739684 422.0749   31.76908 422.0749   31.76908 ?          ?        205.2350 7.739684 ?        ?        ?         ?        
1 1 1 20 28 3  o 211.7456 7.501710 449.3055   31.76908 449.3055   31.76908 ?          ?        211.7456 7.501710 ?        ?        ?         ?        
1 1 1 20 28 4  o 315.6496 8.536995 999.0241   53.89397 999.0241   53.89397 ?          ?        315.6496 8.536995 ?        ?        ?         ?        
1 1 1 20 28 5  o 133.2348 9.793245 178.1338   26.09603 178.1338   26.09603 ?          ?        133.2348 9.793245 ?        ?        ?         ?        
1 1 1 20 28 6  o 258.5882 7.788183 670.5544   40.27865 670.5544   40.27865 ?          ?        258.5882 7.788183 ?        ?        ?         ?        
1 1 1 20 28 7  o 81.22870 14.48923 68.64390   22.69220 68.64390   22.69220 ?          ?        81.22870 14.48923 ?        ?        ?         ?        
1 1 1 20 28 8  o 415.4489 9.900041 1737.088   82.25922 1737.088   82.25922 ?          ?        415.4489 9.900041 ?        ?        ?         ?        
1 1 1 20 28 9  o 251.3100 7.449392 634.2470   37.44213 634.2470   37.44213 ?          ?        251.3100 7.449392 ?        ?        ?         ?        
1 1 1 20 28 10 o 155.4795 9.851611 244.5084   30.63447 244.5084   30.63447 ?          ?        155.4795 9.851611 ?        ?        ?         ?        
1 1 1 20 28 11 o 106.3426 9.602442 114.5956   20.42298 114.5956   20.42298 ?          ?        106.3426 9.602442 ?        ?        ?         ?        
1 1 1 20 28 12 o 261.8296 7.583435 692.1121   39.71135 692.1121   39.71135 ?          ?        261.8296 7.583435 ?        ?        ?         ?        
1 1 1 20 28 13 o 22.49786 11.36000 -78.28809  24.39412 -78.28809  24.39412 ?          ?        22.49786 11.36000 ?        ?        ?         ?        
1 1 1 20 28 14 f 104.8274 10.82361 113.4610   22.69220 113.4610   22.69220 ?          ?        104.8274 10.82361 ?        ?        ?         ?        
1 1 1 20 28 15 o 149.1186 8.940313 228.6239   26.66333 228.6239   26.66333 ?          ?        149.1186 8.940313 ?        ?        ?         ?        
1 1 1 20 29 0  o 303.4115 11.81842 926.9763   71.48043 926.9763   71.48043 926.9763   71.48043 303.4115 11.81842 303.4115 11.81842 -0.000000 0.000000 
1 1 1 20 29 1  o 93.80766 12.69982 88.49958   23.82681 88.49958   23.82681 ?          ?        93.80766 12.69982 ?        ?        ?         ?        
1 1 1 20 29 2  o 186.4093 8.064824 348.3253   30.06716 348.3253   30.06716 ?          ?        186.4093 8.064824 ?        ?        ?         ?        
1 1 1 20 29 3  o 305.4063 7.894554 934.9186   48.22092 934.9186   48.22092 ?          ?        305.4063 7.894554 ?        ?        ?         ?        
1 1 1 20 29 4  o 459.0059 11.37067 2116.615   104.3841 2116.615   104.3841 ?          ?        459.0059 11.37067 ?        ?        ?         ?        
1 1 1 20 29 5  o 72.43524 15.71367 55.02858   22.12490 55.02858   22.12490 ?          ?        72.43524 15.71367 ?        ?        ?         ?        
1 1 1 20 29 6  o 260.7577 7.940949 681.9006   41.41326 681.9006   41.41326 ?          ?        260.7577 7.940949 ?        ?        ?         ?        
1 1 1 20 29 7  o 160.3735 8.136015 258.1238   26.09603 258.1238   26.09603 ?          ?        160.3735 8.136015 ?        ?        ?         ?        
1 1 1 20 29 8  o 574.6200 14.16732 3348.234   162.8165 3348.234   162.8165 ?          ?        574.6200 14.16732 ?        ?        ?         ?        
1 1 1 20 29 9  o 156.6682 7.785278 246.7777   24.39412 246.7777   24.39412 ?          ?        156.6682 7.785278 ?        ?        ?         ?        
1 1 1 20 29 10 o 198.1382 7.587423 395.4115   30.06716 395.4115   30.06716 ?          ?        198.1382 7.587423 ?        ?        ?         ?        
1 1 1 20 29 11 o 143.1694 8.321191 207.0663   23.82681 207.0663   23.82681 ?          ?        143.1694 8.321191 ?        ?        ?         ?        
1 1 1 20 29 12 o 91.21317 11.50617 85.09574   20.99029 85.09574   20.99029 ?          ?        91.21317 11.50617 ?        ?        ?         ?        
1 1 1 20 29 13 o 124.6340 10.01389 159.4127   24.96142 159.4127   24.96142 ?          ?        124.6340 10.01389 ?        ?        ?         ?        
1 1 1 20 29 14 o 86.39815 13.78896 78.85539   23.82681 78.85539   23.82681 ?          ?        86.39815 13.78896 ?        ?        ?         ?        
1 1 1 20 29 15 o 74.69850 14.18327 61.26894   20.42298 61.26894   20.42298 ?          ?        74.69850 14.18327 ?        ?        ?         ?        
1 1 1 20 30 0  o 59.12346 25.69100 50.49014   31.20177 50.49014   31.20177 50.49014   31.20177 59.12346 25.69100 59.12346 25.69100 -0.000000 0.000000 
1 1 1 20 30 1  o 169.7223 8.022117 288.7582   27.23064 288.7582   27.23064 ?          ?        169.7223 8.022117 ?        ?        ?         ?        
1 1 1 20 30 2  o 376.9218 9.030599 1425.070   68.07660 1425.070   68.07660 ?          ?        376.9218 9.030599 ?        ?        ?         ?        
1 1 1 20 30 3  o 123.5350 10.10297 153.1723   24.96142 153.1723   24.96142 ?          ?        123.5350 10.10297 ?        ?        ?         ?        
1 1 1 20 30 4  o 244.6545 8.695501 600.2086   42.54787 600.2086   42.54787 ?          ?        244.6545 8.695501 ?        ?        ?         ?        
1 1 1 20 30 5  o 127.5738 9.338441 163.3838   23.82681 163.3838   23.82681 ?          ?        127.5738 9.338441 ?        ?        ?         ?        
1 1 1 20 30 6  o 246.1288 8.182433 607.5836   40.27865 607.5836   40.27865 ?          ?        246.1288 8.182433 ?        ?        ?         ?        
1 1 1 20 30 7  o 230.2929 7.759731 532.1321   35.74022 532.1321   35.74022 ?          ?        230.2929 7.759731 ?        ?        ?         ?        
1 1 1 20 30 8  o 226.0882 8.029505 513.4110   36.30752 513.4110   36.30752 ?          ?        226.0882 8.029505 ?        ?        ?         ?        
1 1 1 20 30 9  o 318.0097 8.116851 1017.178   51.62476 1017.178   51.62476 ?          ?        318.0097 8.116851 ?        ?        ?         ?        
1 1 1 20 30 10 o 190.6192 7.589097 365.9117   28.93255 365.9117   28.93255 ?          ?        190.6192 7.589097 ?        ?        ?         ?        
1 1 1 20 30 11 o 93.16481 11.26513 88.49958   20.99029 88.49958   20.99029 ?          ?        93.16481 11.26513 ?        ?        ?         ?        
1 1 1 20 30 12 o 63.28255 17.08233 43.68248   22.12490 43.68248   22.12490 ?          ?        63.28255 17.08233 ?        ?        ?         ?        
1 1 1 20 30 13 o 78.00919 14.35493 65.80738   21.55759 65.80738   21.55759 ?          ?        78.00919 14.35493 ?        ?        ?         ?        
1 1 1 20 30 14 o 107.7025 10.79803 120.2687   23.25950 120.2687   23.25950 ?          ?        107.7025 10.79803 ?        ?        ?         ?        
1 1 1 20 31 0  o 708.6157 22.54653 5084.187   318.8254 5084.187   318.8254 5084.187   318.8254 708.6157 22.54653 708.6157 22.54653 -0.000000 0.000000 
1 1 1 20 31 1  o 307.3041 8.399619 946.8319   51.62476 946.8319   51.62476 ?          ?        307.3041 8.399619 ?        ?        ?         ?        
1 1 1 20 31 2  o 271.1706 7.740619 736.9291   41.98057 736.9291   41.98057 ?          ?        271.1706 7.740619 ?        ?        ?         ?        
1 1 1 20 31 3  o 352.0613 8.862597 1242.965   62.40355 1242.965   62.40355 ?          ?        352.0613 8.862597 ?        ?        ?         ?        
1 1 1 20 31 4  o 273.0187 8.831067 747.7079   48.22092 747.7079   48.22092 ?          ?        273.0187 8.831067 ?        ?        ?         ?        
1 1 1 20 31 5  o 62.44386 18.33950 40.27865   24.39412 40.27865   24.39412 ?          ?        62.44386 18.33950 ?        ?        ?         ?        
1 1 1 20 31 6  o 185.4213 7.954818 344.9214   29.49986 344.9214   29.49986 ?          ?        185.4213 7.954818 ?        ?        ?         ?        
1 1 1 20 31 7  o 212.2551 7.483704 452.1420   31.76908 452.1420   31.76908 ?          ?        212.2551 7.483704 ?        ?        ?         ?        
1 1 1 20 31 8  f 115.3151 9.839213 133.8840   22.69220 133.8840   22.69220 ?          ?        115.3151 9.839213 ?        ?        ?         ?        
1 1 1 20 31 9  o 103.2394 13.18810 108.3553   27.23064 108.3553   27.23064 ?          ?        103.2394 13.18810 ?        ?        ?         ?        
1 1 1 20 31 10 o 193.9909 7.457194 378.9597   28.93255 378.9597   28.93255 ?          ?        193.9909 7.457194 ?        ?        ?         ?        
1 1 1 20 31 11 o 56.44525 20.00603 30.63447   28.36525 30.63447   28.36525 ?          ?        56.44525 20.00603 ?        ?        ?         ?        
1 1 1 20 31 12 o 68.72430 15.97362 51.62476   21.55759 51.62476   21.55759 ?          ?        68.72430 15.97362 ?        ?        ?         ?        
1 1 1 20 31 13 o 31.85277 14.56912 -12.48071  20.99029 -12.48071  20.99029 ?          ?        31.85277 14.56912 ?        ?        ?         ?        
1 1 1 20 31 14 o 121.3607 10.05025 152.0377   24.39412 152.0377   24.39412 ?          ?        121.3607 10.05025 ?        ?        ?         ?        
1 1 1 20 32 0  o 210.0238 11.27831 445.9017   47.08631 445.9017   47.08631 445.9017   47.08631 210.0238 11.27831 210.0238 11.27831 -0.000000 0.000000 
1 1 1 20 32 1  o 457.9749 10.59110 2105.836   97.00916 2105.836   97.00916 ?          ?        457.9749 10.59110 ?        ?        ?         ?        
1 1 1 20 32 2  o 186.5775 7.905526 348.8925   29.49986 348.8925   29.49986 ?          ?        186.5775 7.905526 ?        ?        ?         ?        
1 1 1 20 32 3  o 223.5422 7.994065 500.9303   35.74022 500.9303   35.74022 ?          ?        223.5422 7.994065 ?        ?        ?         ?        
1 1 1 20 32 4  o 309.6346 8.061574 961.5819   49.92284 961.5819   49.92284 ?          ?        309.6346 8.061574 ?        ?        ?         ?        
1 1 1 20 32 5  o 288.8613 8.052136 836.7748   46.51900 836.7748   46.51900 ?          ?        288.8613 8.052136 ?        ?        ?         ?        
1 1 1 20 32 6  o 241.0127 7.414591 582.6222   35.74022 582.6222   35.74022 ?          ?        241.0127 7.414591 ?        ?        ?         ?        
1 1 1 20 32 7  o 60.33093 18.47969 37.44213   24.39412 37.44213   24.39412 ?          ?        60.33093 18.47969 ?        ?        ?         ?        
1 1 1 20 32 8  o 158.1720 7.352599 251.3161   23.25950 251.3161   23.25950 ?          ?        158.1720 7.352599 ?        ?        ?         ?        
1 1 1 20 32 9  o 118.5471 10.52806 142.3935   24.96142 142.3935   24.96142 ?          ?        118.5471 10.52806 ?        ?        ?         ?        
1 1 1 20 32 10 o 70.17134 15.37713 52.75936   20.99029 52.75936   20.99029 ?          ?        70.17134 15.37713 ?        ?        ?         ?        
1 1 1 20 32 11 o 139.4247 8.748131 196.8548   24.39412 196.8548   24.39412 ?          ?        139.4247 8.748131 ?        ?        ?         ?        
1 1 1 20 32 12 o 73.22910 14.45925 57.86510   20.42298 57.86510   20.42298 ?          ?        73.22910 14.45925 ?        ?        ?         ?        
1 1 1 20 32 13 o 112.5936 10.32896 130.4801   23.25950 130.4801   23.25950 ?          ?        112.5936 10.32896 ?        ?        ?         ?        
1 1 1 20 32 14 o 73.17765 17.30569 60.70163   24.96142 60.70163   24.96142 ?          ?        73.17765 17.30569 ?        ?        ?         ?        
1 1 1 20 33 0  o 166.4422 13.81797 283.6525   45.38440 283.6525   45.38440 283.6525   45.38440 166.4422 13.81797 166.4422 13.81797 -0.000000 0.000000 
1 1 1 20 33 1  o 382.1521 9.055452 1464.781   69.21120 1464.781   69.21120 ?          ?        382.1521 9.055452 ?        ?        ?         ?        
1 1 1 20 33 2  o 202.8368 7.971034 412.4307   32.33638 412.4307   32.33638 ?          ?        202.8368 7.971034 ?        ?        ?         ?        
1 1 1 20 33 3  o 117.8587 10.34888 139.5570   24.39412 139.5570   24.39412 ?          ?        117.8587 10.34888 ?        ?        ?         ?        
1 1 1 20 33 4  o 188.1657 8.140290 355.1329   30.63447 355.1329   30.63447 ?          ?        188.1657 8.140290 ?        ?        ?         ?        
1 1 1 20 33 5  o 307.7309 8.295795 950.2358   51.05745 950.2358   51.05745 ?          ?        307.7309 8.295795 ?        ?        ?         ?        
1 1 1 20 33 6  o 302.7609 8.713041 920.7360   52.75936 920.7360   52.75936 ?          ?        302.7609 8.713041 ?        ?        ?         ?        
1 1 1 20 33 7  o 103.3531 11.52690 107.7879   23.82681 107.7879   23.82681 ?          ?        103.3531 11.52690 ?        ?        ?         ?        
1 1 1 20 33 8  o 105.1129 11.33391 111.7591   23.82681 111.7591   23.82681 ?          ?        105.1129 11.33391 ?        ?        ?         ?        
1 1 1 20 33 9  o 146.7140 8.700170 217.2778   25.52872 217.2778   25.52872 ?          ?        146.7140 8.700170 ?        ?        ?         ?        
1 1 1 20 33 10 o 249.2294 7.511580 626.3047   37.44213 626.3047   37.44213 ?          ?        249.2294 7.511580 ?        ?        ?         ?        
1 1 1 20 33 11 o 72.87071 14.52796 56.73050   20.42298 56.73050   20.42298 ?          ?        72.87071 14.52796 ?        ?        ?         ?        
1 1 1 20 33 12 o 251.2802 7.676041 639.9200   38.57674 639.9200   38.57674 ?          ?        251.2802 7.676041 ?        ?        ?         ?        
1 1 1 20 33 13 o 38.46080 16.01895 5.673049   20.42298 5.673049   20.42298 ?          ?        38.46080 16.01895 ?        ?        ?         ?        
1 1 1 20 33 14 o 37.15986 16.47128 -3.971134  24.39412 -3.971134  24.39412 ?          ?        37.15986 16.47128 ?        ?        ?         ?        
1 1 1 20 34 0  o 554.1752 20.43205 3108.831   225.7874 3108.831   225.7874 3108.831   225.7874 554.1752 20.43205 554.1752 20.43205 -0.000000 0.000000 
1 1 1 20 34 1  o 371.1548 8.865218 1381.955   65.80738 1381.955   65.80738 ?          ?        371.1548 8.865218 ?        ?        ?         ?        
1 1 1 20 34 2  o 236.5507 7.794276 561.0646   36.87482 561.0646   36.87482 ?          ?        236.5507 7.794276 ?        ?        ?         ?        
1 1 1 20 34 3  o 206.2186 8.252965 426.6133   34.03830 426.6133   34.03830 ?          ?        206.2186 8.252965 ?        ?        ?         ?        
1 1 1 20 34 4  o 372.3032 9.904515 1392.166   73.74965 1392.166   73.74965 ?          ?        372.3032 9.904515 ?        ?        ?         ?        
1 1 1 20 34 5  o 230.5585 7.627760 533.2667   35.17290 533.2667   35.17290 ?          ?        230.5585 7.627760 ?        ?        ?         ?        
1 1 1 20 34 6  o 92.61417 13.16975 86.79766   24.39412 86.79766   24.39412 ?          ?        92.61417 13.16975 ?        ?        ?         ?        
1 1 1 20 34 7  o 141.8826 9.196349 202.5279   26.09603 202.5279   26.09603 ?          ?        141.8826 9.196349 ?        ?        ?         ?        
1 1 1 20 34 8  o 198.6161 7.569166 396.5462   30.06716 396.5462   30.06716 ?          ?        198.6161 7.569166 ?        ?        ?         ?        
1 1 1 20 34 9  o 215.6268 7.366680 468.0266   31.76908 468.0266   31.76908 ?          ?        215.6268 7.366680 ?        ?        ?         ?        
1 1 1 20 34 10 o 117.1337 9.202131 138.9897   21.55759 138.9897   21.55759 ?          ?        117.1337 9.202131 ?        ?        ?         ?        
1 1 1 20 34 11 o 23.66249 11.75949 -51.62476  21.55759 -51.62476  21.55759 ?          ?        23.66249 11.75949 ?        ?        ?         ?        
1 1 1 20 34 12 o 108.7265 12.52254 123.1052   27.23064 123.1052   27.23064 ?          ?        108.7265 12.52254 ?        ?        ?         ?        
1 1 1 20 34 13 o 167.4645 7.791511 285.3544   26.09603 285.3544   26.09603 ?          ?        167.4645 7.791511 ?        ?        ?         ?        
1 1 1 20 34 14 o 179.8192 8.360387 331.3061   30.06716 331.3061   30.06716 ?          ?        179.8192 8.360387 ?        ?        ?         ?        
1 1 1 20 35 0  o 25.48056 18.11936 -40.84595  36.30752 -40.84595  36.30752 -40.84595  36.30752 25.48056 18.11936 25.48056 18.11936 -0.000000 0.000000 
1 1 1 20 35 1  o 271.7024 7.829866 740.3330   42.54787 740.3330   42.54787 ?          ?        271.7024 7.829866 ?        ?        ?         ?        
1 1 1 20 35 2  o 67.30735 17.52888 47.65361   23.82681 47.65361   23.82681 ?          ?        67.30735 17.52888 ?        ?        ?         ?        
1 1 1 20 35 3  o 189.9871 7.912948 361.9406   30.06716 361.9406   30.06716 ?          ?        189.9871 7.912948 ?        ?        ?         ?        
1 1 1 20 35 4  o 66.09341 17.67599 45.95170   23.82681 45.95170   23.82681 ?          ?        66.09341 17.67599 ?        ?        ?         ?        
1 1 1 20 35 5  o 31.36046 14.65611 -21.55759  22.69220 -21.55759  22.69220 ?          ?        31.36046 14.65611 ?        ?        ?         ?        
1 1 1 20 35 6  o 73.34534 15.55523 56.73050   22.12490 56.73050   22.12490 ?          ?        73.34534 15.55523 ?        ?        ?         ?        
1 1 1 20 35 7  o 71.26393 15.92755 53.89397   22.12490 53.89397   22.12490 ?          ?        71.26393 15.92755 ?        ?        ?         ?        
1 1 1 20 35 8  o 169.4885 8.869971 289.8928   30.06716 289.8928   30.06716 ?          ?        169.4885 8.869971 ?        ?        ?         ?        
1 1 1 20 35 9  o 62.18731 17.50655 41.41326   22.69220 41.41326   22.69220 ?          ?        62.18731 17.50655 ?        ?        ?         ?        
1 1 1 20 35 10 o 136.0881 8.128886 187.2106   22.12490 187.2106   22.12490 ?          ?        136.0881 8.128886 ?        ?        ?         ?        
1 1 1 20 35 11 o 38.76773 16.54723 1.701915   22.69220 1.701915   22.69220 ?          ?        38.76773 16.54723 ?        ?        ?         ?        
1 1 1 20 35 12 o 100.0835 11.05322 103.2495   22.12490 103.2495   22.12490 ?          ?        100.0835 11.05322 ?        ?        ?         ?        
1 1 1 20 35 13 o 88.13026 11.90867 81.12460   20.99029 81.12460   20.99029 ?          ?        88.13026 11.90867 ?        ?        ?         ?        
1 1 1 20 36 0  o 61.19017 28.32369 55.59589   38.00943 55.59589   38.00943 55.59589   38.00943 61.19017 28.32369 61.19017 28.32369 -0.000000 0.000000 
1 1 1 20 36 1  o 147.7131 9.025378 218.9797   26.66333 218.9797   26.66333 ?          ?        147.7131 9.025378 ?        ?        ?         ?        
1 1 1 20 36 2  o 199.3117 7.542749 398.2480   30.06716 398.2480   30.06716 ?          ?        199.3117 7.542749 ?        ?        ?         ?        
1 1 1 20 36 3  o 141.6062 9.214293 201.3933   26.09603 201.3933   26.09603 ?          ?        141.6062 9.214293 ?        ?        ?         ?        
1 1 1 20 36 4  o 143.5849 8.889765 207.0663   25.52872 207.0663   25.52872 ?          ?        143.5849 8.889765 ?        ?        ?         ?        
1 1 1 20 36 5  o 264.4695 7.722243 702.3236   40.84595 702.3236   40.84595 ?          ?        264.4695 7.722243 ?        ?        ?         ?        
1 1 1 20 36 6  o 176.4364 7.716842 312.5851   27.23064 312.5851   27.23064 ?          ?        176.4364 7.716842 ?        ?        ?         ?        
1 1 1 20 36 7  o 116.1469 10.25719 136.1532   23.82681 136.1532   23.82681 ?          ?        116.1469 10.25719 ?        ?        ?         ?        
1 1 1 20 36 8  o 65.79361 17.09331 46.51900   22.69220 46.51900   22.69220 ?          ?        65.79361 17.09331 ?        ?        ?         ?        
1 1 1 20 36 9  o 128.2626 9.730595 166.7877   24.96142 166.7877   24.96142 ?          ?        128.2626 9.730595 ?        ?        ?         ?        
1 1 1 20 36 10 o 76.70413 13.81695 62.40355   20.42298 62.40355   20.42298 ?          ?        76.70413 13.81695 ?        ?        ?         ?        
1 1 1 20 36 11 o 170.6376 8.145314 295.5659   27.79794 295.5659   27.79794 ?          ?        170.6376 8.145314 ?        ?        ?         ?        
1 1 1 20 36 12 o 96.82115 12.59751 97.57646   24.39412 97.57646   24.39412 ?          ?        96.82115 12.59751 ?        ?        ?         ?        
1 1 1 20 36 13 o 130.4588 9.131926 174.7299   23.82681 174.7299   23.82681 ?          ?        130.4588 9.131926 ?        ?        ?         ?        
1 1 1 20 37 0  o 197.0908 11.00995 393.1424   43.11518 393.1424   43.11518 393.1424   43.11518 197.0908 11.00995 197.0908 11.00995 -0.000000 0.000000 
1 1 1 20 37 1  o 119.2126 11.18310 142.9609   26.66333 142.9609   26.66333 ?          ?        119.2126 11.18310 ?        ?        ?         ?        
1 1 1 20 37 2  o 204.0576 7.228315 417.5364   29.49986 417.5364   29.49986 ?          ?        204.0576 7.228315 ?        ?        ?         ?        
1 1 1 20 37 3  o 195.3566 7.840655 382.9308   30.63447 382.9308   30.63447 ?          ?        195.3566 7.840655 ?        ?        ?         ?        
1 1 1 20 37 4  o 183.7937 8.179595 339.2484   30.06716 339.2484   30.06716 ?          ?        183.7937 8.179595 ?        ?        ?         ?        
1 1 1 20 37 5  o 114.2561 10.92345 131.6148   24.96142 131.6148   24.96142 ?          ?        114.2561 10.92345 ?        ?        ?         ?        
1 1 1 20 37 6  o 58.47262 18.07223 35.17290   23.25950 35.17290   23.25950 ?          ?        58.47262 18.07223 ?        ?        ?         ?        
1 1 1 20 37 7  o 90.92860 12.47803 83.96114   22.69220 83.96114   22.69220 ?          ?        90.92860 12.47803 ?        ?        ?         ?        
1 1 1 20 37 8  o 103.0617 11.00903 107.7879   22.69220 107.7879   22.69220 ?          ?        103.0617 11.00903 ?        ?        ?         ?        
1 1 1 20 37 9  o 252.4550 7.527962 642.7565   38.00943 642.7565   38.00943 ?          ?        252.4550 7.527962 ?        ?        ?         ?        
1 1 1 20 37 10 f 85.72832 14.22757 76.01886   24.39412 76.01886   24.39412 ?          ?        85.72832 14.22757 ?        ?        ?         ?        
1 1 1 20 37 11 o 126.7791 9.396978 163.9511   23.82681 163.9511   23.82681 ?          ?        126.7791 9.396978 ?        ?        ?         ?        
1 1 1 20 37 12 o 165.4717 7.885344 278.5467   26.09603 278.5467   26.09603 ?          ?        165.4717 7.885344 ?        ?        ?         ?        
1 1 1 20 37 13 o 83.05282 16.63916 77.15348   26.66333 77.15348   26.66333 ?          ?        83.05282 16.63916 ?        ?        ?         ?        
1 1 1 20 38 0  o 27.01011 18.77940 -25.52872  34.03830 -25.52872  34.03830 -25.52872  34.03830 27.01011 18.77940 27.01011 18.77940 -0.000000 0.000000 
1 1 1 20 38 1  o 298.9904 7.779347 896.9091   46.51900 896.9091   46.51900 ?          ?        298.9904 7.779347 ?        ?        ?         ?        
1 1 1 20 38 2  o 179.3178 8.383765 322.7965   30.06716 322.7965   30.06716 ?          ?        179.3178 8.383765 ?        ?        ?         ?        
1 1 1 20 38 3  o 344.7046 8.558013 1193.610   58.99971 1193.610   58.99971 ?          ?        344.7046 8.558013 ?        ?        ?         ?        
1 1 1 20 38 4  o 97.38352 12.52477 95.87454   24.39412 95.87454   24.39412 ?          ?        97.38352 12.52477 ?        ?        ?         ?        
1 1 1 20 38 5  o 142.4699 9.357533 204.2298   26.66333 204.2298   26.66333 ?          ?        142.4699 9.357533 ?        ?        ?         ?        
1 1 1 20 38 6  o 170.2973 7.828466 291.5948   26.66333 291.5948   26.66333 ?          ?        170.2973 7.828466 ?        ?        ?         ?        
1 1 1 20 38 7  o 134.6514 9.268907 183.2395   24.96142 183.2395   24.96142 ?          ?        134.6514 9.268907 ?        ?        ?         ?        
1 1 1 20 38 8  o 120.8571 10.09213 148.0666   24.39412 148.0666   24.39412 ?          ?        120.8571 10.09213 ?        ?        ?         ?        
1 1 1 20 38 9  o 182.3649 7.777059 335.8446   28.36525 335.8446   28.36525 ?          ?        182.3649 7.777059 ?        ?        ?         ?        
1 1 1 20 38 10 o 39.03195 17.58434 -11.34610  28.93255 -11.34610  28.93255 ?          ?        39.03195 17.58434 ?        ?        ?         ?        
1 1 1 20 38 11 o 127.6828 9.330472 166.7877   23.82681 166.7877   23.82681 ?          ?        127.6828 9.330472 ?        ?        ?         ?        
1 1 1 20 38 12 o 74.88370 15.65905 61.83624   22.69220 61.83624   22.69220 ?          ?        74.88370 15.65905 ?        ?        ?         ?        
1 1 1 20 38 13 o 151.6372 7.856517 234.8643   23.82681 234.8643   23.82681 ?          ?        151.6372 7.856517 ?        ?        ?         ?        
1 1 1 20 39 0  o 384.7971 13.45206 1493.714   103.2495 1493.714   103.2495 1493.714   103.2495 384.7971 13.45206 384.7971 13.45206 -0.000000 0.000000 
1 1 1 20 39 1  o 64.93922 18.10918 44.24979   24.39412 44.24979   24.39412 ?          ?        64.93922 18.10918 ?        ?        ?         ?        
1 1 1 20 39 2  o 116.9426 11.15762 137.8551   26.09603 137.8551   26.09603 ?          ?        116.9426 11.15762 ?        ?        ?         ?        
1 1 1 20 39 3  o 230.4415 7.754725 533.2667   35.74022 533.2667   35.74022 ?          ?        230.4415 7.754725 ?        ?        ?         ?        
1 1 1 20 39 4  o 160.9404 8.812346 260.3930   28.36525 260.3930   28.36525 ?          ?        160.9404 8.812346 ?        ?        ?         ?        
1 1 1 20 39 5  o 184.1359 8.010348 340.9503   29.49986 340.9503   29.49986 ?          ?        184.1359 8.010348 ?        ?        ?         ?        
1 1 1 20 39 6  f 137.7001 9.269684 191.1818   25.52872 191.1818   25.52872 ?          ?        137.7001 9.269684 ?        ?        ?         ?        
1 1 1 20 39 7  o 27.77680 13.30354 -28.36525  20.99029 -28.36525  20.99029 ?          ?        27.77680 13.30354 ?        ?        ?         ?        
1 1 1 20 39 8  o 146.1665 8.926814 216.1432   26.09603 216.1432   26.09603 ?          ?        146.1665 8.926814 ?        ?        ?         ?        
1 1 1 20 39 9  o 43.83809 17.53875 11.34610   23.25950 11.34610   23.25950 ?          ?        43.83809 17.53875 ?        ?        ?         ?        
1 1 1 20 39 10 o 137.9598 10.07466 194.5856   27.79794 194.5856   27.79794 ?          ?        137.9598 10.07466 ?        ?        ?         ?        
1 1 1 20 39 11 o 31.63935 14.66410 -16.45185  22.12490 -16.45185  22.12490 ?          ?        31.63935 14.66410 ?        ?        ?         ?        
1 1 1 20 39 12 o 75.76208 14.75357 62.97085   21.55759 62.97085   21.55759 ?          ?        75.76208 14.75357 ?        ?        ?         ?        
1 1 1 20 39 13 o 80.69545 16.38840 73.18234   25.52872 73.18234   25.52872 ?          ?        80.69545 16.38840 ?        ?        ?         ?        
1 1 1 20 40 0  o 48.32711 26.53171 34.03830   36.30752 34.03830   36.30752 34.03830   36.30752 48.32711 26.53171 48.32711 26.53171 -0.000000 0.000000 
1 1 1 20 40 1  o 46.03024 18.39158 11.34610   25.52872 11.34610   25.52872 ?          ?        46.03024 18.39158 ?        ?        ?         ?        
1 1 1 20 40 2  o 95.86596 13.31480 93.03801   25.52872 93.03801   25.52872 ?          ?        95.86596 13.31480 ?        ?        ?         ?        
1 1 1 20 40 3  o 103.4324 13.71198 108.3553   28.36525 108.3553   28.36525 ?          ?        103.4324 13.71198 ?        ?        ?         ?        
1 1 1 20 40 4  o 215.7134 7.626713 467.4593   32.90369 467.4593   32.90369 ?          ?        215.7134 7.626713 ?        ?        ?         ?        
1 1 1 20 40 5  o 38.73678 16.85562 -3.403830  24.39412 -3.403830  24.39412 ?          ?        38.73678 16.85562 ?        ?        ?         ?        
1 1 1 20 40 6  o 137.5728 9.072079 191.1818   24.96142 191.1818   24.96142 ?          ?        137.5728 9.072079 ?        ?        ?         ?        
1 1 1 20 40 7  o 116.1526 10.25668 136.7205   23.82681 136.7205   23.82681 ?          ?        116.1526 10.25668 ?        ?        ?         ?        
1 1 1 20 40 8  o 150.4110 8.297737 228.6239   24.96142 228.6239   24.96142 ?          ?        150.4110 8.297737 ?        ?        ?         ?        
1 1 1 20 40 9  o 156.2715 8.712605 247.3450   27.23064 247.3450   27.23064 ?          ?        156.2715 8.712605 ?        ?        ?         ?        
1 1 1 20 40 10 o 64.95259 16.87991 46.51900   22.12490 46.51900   22.12490 ?          ?        64.95259 16.87991 ?        ?        ?         ?        
1 1 1 20 40 11 o 77.11597 15.62612 65.24007   23.25950 65.24007   23.25950 ?          ?        77.11597 15.62612 ?        ?        ?         ?        
1 1 1 20 40 12 o 34.92530 15.66017 -6.807660  22.69220 -6.807660  22.69220 ?          ?        34.92530 15.66017 ?        ?        ?         ?        
1 1 1 20 41 0  o 35.94764 23.37827 0.5673050  39.14404 0.5673050  39.14404 0.5673050  39.14404 35.94764 23.37827 35.94764 23.37827 -0.000000 0.000000 
1 1 1 20 41 1  o 278.7318 8.344762 780.6117   46.51900 780.6117   46.51900 ?          ?        278.7318 8.344762 ?        ?        ?         ?        
1 1 1 20 41 2  o 215.3700 8.824216 466.3247   38.00943 466.3247   38.00943 ?          ?        215.3700 8.824216 ?        ?        ?         ?        
1 1 1 20 41 3  o 193.0903 9.695497 375.5559   37.44213 375.5559   37.44213 ?          ?        193.0903 9.695497 ?        ?        ?         ?        
1 1 1 20 41 4  o 99.28301 11.99944 99.84568   23.82681 99.84568   23.82681 ?          ?        99.28301 11.99944 ?        ?        ?         ?        
1 1 1 20 41 5  o 210.6685 7.540064 446.4690   31.76908 446.4690   31.76908 ?          ?        210.6685 7.540064 ?        ?        ?         ?        
1 1 1 20 41 6  o 97.06537 11.98136 95.87454   23.25950 95.87454   23.25950 ?          ?        97.06537 11.98136 ?        ?        ?         ?        
1 1 1 20 41 7  f 79.25627 19.15353 68.64390   30.06716 68.64390   30.06716 ?          ?        79.25627 19.15353 ?        ?        ?         ?        
1 1 1 20 41 8  o 132.1679 10.94538 178.1338   28.93255 178.1338   28.93255 ?          ?        132.1679 10.94538 ?        ?        ?         ?        
1 1 1 20 41 9  o 141.0832 8.846350 201.9606   24.96142 201.9606   24.96142 ?          ?        141.0832 8.846350 ?        ?        ?         ?        
1 1 1 20 41 10 o 75.95341 16.16753 63.53815   23.82681 63.53815   23.82681 ?          ?        75.95341 16.16753 ?        ?        ?         ?        
1 1 1 20 41 11 o 26.11420 12.69066 -34.03830  20.99029 -34.03830  20.99029 ?          ?        26.11420 12.69066 ?        ?        ?         ?        
1 1 1 20 41 12 o 51.21997 17.91958 27.23064   22.69220 27.23064   22.69220 ?          ?        51.21997 17.91958 ?        ?        ?         ?        
1 1 1 20 42 0  o 208.6871 10.79911 440.7959   44.81709 440.7959   44.81709 440.7959   44.81709 208.6871 10.79911 208.6871 10.79911 -0.000000 0.000000 
1 1 1 20 42 1  o 330.8321 8.659649 1100.572   57.29780 1100.572   57.29780 ?          ?        330.8321 8.659649 ?        ?        ?         ?        
1 1 1 20 42 2  o 272.8420 7.901125 748.2752   43.11518 748.2752   43.11518 ?          ?        272.8420 7.901125 ?        ?        ?         ?        
1 1 1 20 42 3  o 328.8907 8.797011 1089.226   57.86510 1089.226   57.86510 ?          ?        328.8907 8.797011 ?        ?        ?         ?        
1 1 1 20 42 4  o 43.43058 17.04134 11.91340   21.55759 11.91340   21.55759 ?          ?        43.43058 17.04134 ?        ?        ?         ?        
1 1 1 20 42 5  f 60.70300 17.64348 39.14404   22.69220 39.14404   22.69220 ?          ?        60.70300 17.64348 ?        ?        ?         ?        
1 1 1 20 42 6  o 112.7889 9.808101 128.7782   22.12490 128.7782   22.12490 ?          ?        112.7889 9.808101 ?        ?        ?         ?        
1 1 1 20 42 7  o 63.99667 17.31111 44.24979   22.69220 44.24979   22.69220 ?          ?        63.99667 17.31111 ?        ?        ?         ?        
1 1 1 20 42 8  o 184.8820 9.205410 346.6233   34.03830 346.6233   34.03830 ?          ?        184.8820 9.205410 ?        ?        ?         ?        
1 1 1 20 42 9  o 87.08622 13.35430 78.85539   23.25950 78.85539   23.25950 ?          ?        87.08622 13.35430 ?        ?        ?         ?        
1 1 1 20 42 10 o 36.76435 16.28950 -5.105744  23.82681 -5.105744  23.82681 ?          ?        36.76435 16.28950 ?        ?        ?         ?        
1 1 1 20 42 11 o 144.7948 8.815485 214.4413   25.52872 214.4413   25.52872 ?          ?        144.7948 8.815485 ?        ?        ?         ?        
1 1 1 20 42 12 o 99.46786 12.54748 104.3841   24.96142 104.3841   24.96142 ?          ?        99.46786 12.54748 ?        ?        ?         ?        
1 1 1 20 43 0  o 51.81295 26.73992 40.84595   35.17290 40.84595   35.17290 40.84595   35.17290 51.81295 26.73992 51.81295 26.73992 -0.000000 0.000000 
1 1 1 20 43 1  o 181.5694 8.592243 331.8734   31.20177 331.8734   31.20177 ?          ?        181.5694 8.592243 ?        ?        ?         ?        
1 1 1 20 43 2  o 60.15206 18.49087 37.44213   24.39412 37.44213   24.39412 ?          ?        60.15206 18.49087 ?        ?        ?         ?        
1 1 1 20 43 3  o 229.9848 8.016794 532.1321   36.87482 532.1321   36.87482 ?          ?        229.9848 8.016794 ?        ?        ?         ?        
1 1 1 20 43 4  o 227.9099 8.089783 523.6225   36.87482 523.6225   36.87482 ?          ?        227.9099 8.089783 ?        ?        ?         ?        
1 1 1 20 43 5  o 187.6316 8.465814 355.1329   31.76908 355.1329   31.76908 ?          ?        187.6316 8.465814 ?        ?        ?         ?        
1 1 1 20 43 6  o 74.58293 17.09142 60.13433   24.96142 60.13433   24.96142 ?          ?        74.58293 17.09142 ?        ?        ?         ?        
1 1 1 20 43 7  o 90.72742 12.81834 84.52843   23.25950 84.52843   23.25950 ?          ?        90.72742 12.81834 ?        ?        ?         ?        
1 1 1 20 43 8  o 96.75614 11.72649 95.87454   22.69220 95.87454   22.69220 ?          ?        96.75614 11.72649 ?        ?        ?         ?        
1 1 1 20 43 9  o 125.3824 9.727884 160.5473   24.39412 160.5473   24.39412 ?          ?        125.3824 9.727884 ?        ?        ?         ?        
1 1 1 20 43 10 o 46.64702 17.99481 17.58645   23.82681 17.58645   23.82681 ?          ?        46.64702 17.99481 ?        ?        ?         ?        
1 1 1 20 43 11 o 70.24438 15.73765 55.02858   21.55759 55.02858   21.55759 ?          ?        70.24438 15.73765 ?        ?        ?         ?        
1 1 1 20 43 12 o 39.61648 17.14141 1.701915   24.96142 1.701915   24.96142 ?          ?        39.61648 17.14141 ?        ?        ?         ?        
1 1 1 20 44 0  o 73.71331 23.63745 69.77851   30.63447 69.77851   30.63447 69.77851   30.63447 73.71331 23.63745 73.71331 23.63745 -0.000000 0.000000 
1 1 1 20 44 1  o 200.8296 7.909460 405.6230   31.76908 405.6230   31.76908 ?          ?        200.8296 7.909460 ?        ?        ?         ?        
1 1 1 20 44 2  o 121.6289 10.96094 149.7685   26.66333 149.7685   26.66333 ?          ?        121.6289 10.96094 ?        ?        ?         ?        
1 1 1 20 44 3  o 166.2617 8.871513 279.1140   29.49986 279.1140   29.49986 ?          ?        166.2617 8.871513 ?        ?        ?         ?        
1 1 1 20 44 4  o 74.94286 16.34937 60.13433   23.82681 60.13433   23.82681 ?          ?        74.94286 16.34937 ?        ?        ?         ?        
1 1 1 20 44 5  f 248.4735 7.648590 622.3336   38.00943 622.3336   38.00943 ?          ?        248.4735 7.648590 ?        ?        ?         ?        
1 1 1 20 44 6  f 107.1522 10.85348 116.8648   23.25950 116.8648   23.25950 ?          ?        107.1522 10.85348 ?        ?        ?         ?        
1 1 1 20 44 7  o 250.3118 7.592416 632.5450   38.00943 632.5450   38.00943 ?          ?        250.3118 7.592416 ?        ?        ?         ?        
1 1 1 20 44 8  o 65.34954 18.34949 47.08631   24.96142 47.08631   24.96142 ?          ?        65.34954 18.34949 ?        ?        ?         ?        
1 1 1 20 44 9  o 75.19939 15.24252 61.83624   22.12490 61.83624   22.12490 ?          ?        75.19939 15.24252 ?        ?        ?         ?        
1 1 1 20 44 10 o 68.45398 17.69388 52.75936   24.39412 52.75936   24.39412 ?          ?        68.45398 17.69388 ?        ?        ?         ?        
1 1 1 20 44 11 o 66.61588 17.61268 50.49014   23.82681 50.49014   23.82681 ?          ?        66.61588 17.61268 ?        ?        ?         ?        
1 1 1 20 45 0  o 102.7093 20.12252 118.5667   36.87482 118.5667   36.87482 118.5667   36.87482 102.7093 20.12252 102.7093 20.12252 -0.000000 0.000000 
1 1 1 20 45 1  o 114.7482 10.13502 133.3167   23.25950 133.3167   23.25950 ?          ?        114.7482 10.13502 ?        ?        ?         ?        
1 1 1 20 45 2  o 187.4292 8.626294 354.5656   32.33638 354.5656   32.33638 ?          ?        187.4292 8.626294 ?        ?        ?         ?        
1 1 1 20 45 3  o 252.4894 7.751622 642.1892   39.14404 642.1892   39.14404 ?          ?        252.4894 7.751622 ?        ?        ?         ?        
1 1 1 20 45 4  f 135.5538 9.834961 186.0760   26.66333 186.0760   26.66333 ?          ?        135.5538 9.834961 ?        ?        ?         ?        
1 1 1 20 45 5  o 126.1055 9.447172 161.1146   23.82681 161.1146   23.82681 ?          ?        126.1055 9.447172 ?        ?        ?         ?        
1 1 1 20 45 6  o 38.27055 16.55272 -1.134610  23.25950 -1.134610  23.25950 ?          ?        38.27055 16.55272 ?        ?        ?         ?        
1 1 1 20 45 7  o 112.2843 11.11528 128.7782   24.96142 128.7782   24.96142 ?          ?        112.2843 11.11528 ?        ?        ?         ?        
1 1 1 20 45 8  o 73.96607 15.45827 59.56702   22.12490 59.56702   22.12490 ?          ?        73.96607 15.45827 ?        ?        ?         ?        
1 1 1 20 45 9  o 109.6209 10.86782 123.6725   23.82681 123.6725   23.82681 ?          ?        109.6209 10.86782 ?        ?        ?         ?        
1 1 1 20 45 10 o 84.87750 13.70181 76.01886   23.25950 76.01886   23.25950 ?          ?        84.87750 13.70181 ?        ?        ?         ?        
1 1 1 20 45 11 o 55.75977 17.94432 34.60560   22.69220 34.60560   22.69220 ?          ?        55.75977 17.94432 ?        ?        ?         ?        
1 1 1 20 46 0  o 32.15194 21.25607 -3.403830  34.03830 -3.403830  34.03830 -3.403830  34.03830 32.15194 21.25607 32.15194 21.25607 -0.000000 0.000000 
1 1 1 20 46 1  o 100.9063 12.64972 103.8168   25.52872 103.8168   25.52872 ?          ?        100.9063 12.64972 ?        ?        ?         ?        
1 1 1 20 46 2  o 197.4977 8.761013 393.7097   34.60560 393.7097   34.60560 ?          ?        197.4977 8.761013 ?        ?        ?         ?        
1 1 1 20 46 3  o 290.5523 8.102899 851.5248   47.08631 851.5248   47.08631 ?          ?        290.5523 8.102899 ?        ?        ?         ?        
1 1 1 20 46 4  o 51.03568 18.31093 23.82681   23.82681 23.82681   23.82681 ?          ?        51.03568 18.31093 ?        ?        ?         ?        
1 1 1 20 46 5  o 264.1856 7.730542 704.5928   40.84595 704.5928   40.84595 ?          ?        264.1856 7.730542 ?        ?        ?         ?        
1 1 1 20 46 6  o 88.87334 12.76659 81.12460   22.69220 81.12460   22.69220 ?          ?        88.87334 12.76659 ?        ?        ?         ?        
1 1 1 20 46 7  o 323.7341 8.411422 1063.130   54.46128 1063.130   54.46128 ?          ?        323.7341 8.411422 ?        ?        ?         ?        
1 1 1 20 46 8  f 105.9684 12.84847 116.8648   27.23064 116.8648   27.23064 ?          ?        105.9684 12.84847 ?        ?        ?         ?        
1 1 1 20 46 9  o 81.73258 14.77031 72.61504   23.25950 72.61504   23.25950 ?          ?        81.73258 14.77031 ?        ?        ?         ?        
1 1 1 20 46 10 o 132.4032 8.997823 179.8357   23.82681 179.8357   23.82681 ?          ?        132.4032 8.997823 ?        ?        ?         ?        
1 1 1 20 46 11 o 136.4064 9.357599 191.7491   25.52872 191.7491   25.52872 ?          ?        136.4064 9.357599 ?        ?        ?         ?        
1 1 1 20 47 0  o 19.42974 14.39325 -86.23035  35.17290 -86.23035  35.17290 -86.23035  35.17290 19.42974 14.39325 19.42974 14.39325 -0.000000 0.000000 
1 1 1 20 47 1  o 269.4747 8.105117 732.3907   43.68248 732.3907   43.68248 ?          ?        269.4747 8.105117 ?        ?        ?         ?        
1 1 1 20 47 2  o 37.22118 16.01508 -0.5673050 21.55759 -0.5673050 21.55759 ?          ?        37.22118 16.01508 ?        ?        ?         ?        
1 1 1 20 47 3  o 89.48469 13.63033 82.25922   24.39412 82.25922   24.39412 ?          ?        89.48469 13.63033 ?        ?        ?         ?        
1 1 1 20 47 4  o 94.45952 12.31189 91.33610   23.25950 91.33610   23.25950 ?          ?        94.45952 12.31189 ?        ?        ?         ?        
1 1 1 20 47 5  o 125.0070 9.984011 158.8454   24.96142 158.8454   24.96142 ?          ?        125.0070 9.984011 ?        ?        ?         ?        
1 1 1 20 47 6  o 57.52711 17.86473 35.17290   22.69220 35.17290   22.69220 ?          ?        57.52711 17.86473 ?        ?        ?         ?        
1 1 1 20 47 7  o 85.32650 13.96214 76.01886   23.82681 76.01886   23.82681 ?          ?        85.32650 13.96214 ?        ?        ?         ?        
1 1 1 20 47 8  o 70.48681 15.31796 54.46128   20.99029 54.46128   20.99029 ?          ?        70.48681 15.31796 ?        ?        ?         ?        
1 1 1 20 47 9  f 98.98820 12.32173 102.1149   24.39412 102.1149   24.39412 ?          ?        98.98820 12.32173 ?        ?        ?         ?        
1 1 1 20 47 10 f 41.66654 17.06906 9.644185   22.69220 9.644185   22.69220 ?          ?        41.66654 17.06906 ?        ?        ?         ?        
1 1 1 20 48 0  o 62.21278 28.34923 58.99971   38.00943 58.99971   38.00943 58.99971   38.00943 62.21278 28.34923 62.21278 28.34923 -0.000000 0.000000 
1 1 1 20 48 1  o 203.5028 8.641874 418.6711   35.17290 418.6711   35.17290 ?          ?        203.5028 8.641874 ?        ?        ?         ?        
1 1 1 20 48 2  o 144.7163 9.408287 212.1721   27.23064 212.1721   27.23064 ?          ?        144.7163 9.408287 ?        ?        ?         ?        
1 1 1 20 48 3  o 152.2968 8.939994 234.8643   27.23064 234.8643   27.23064 ?          ?        152.2968 8.939994 ?        ?        ?         ?        
1 1 1 20 48 4  o 72.68135 16.72763 57.29780   23.82681 57.29780   23.82681 ?          ?        72.68135 16.72763 ?        ?        ?         ?        
1 1 1 20 48 5  o 135.7134 9.823397 187.2106   26.66333 187.2106   26.66333 ?          ?        135.7134 9.823397 ?        ?        ?         ?        
1 1 1 20 48 6  o 72.29762 16.45128 57.29780   23.25950 57.29780   23.25950 ?          ?        72.29762 16.45128 ?        ?        ?         ?        
1 1 1 20 48 7  o 138.9303 9.595941 197.4221   26.66333 197.4221   26.66333 ?          ?        138.9303 9.595941 ?        ?        ?         ?        
1 1 1 20 48 8  o 117.7450 10.84068 142.9609   25.52872 142.9609   25.52872 ?          ?        117.7450 10.84068 ?        ?        ?         ?        
1 1 1 20 48 9  o 62.90178 17.72931 44.81709   23.25950 44.81709   23.25950 ?          ?        62.90178 17.72931 ?        ?        ?         ?        
1 1 1 20 48 10 o 59.91515 17.71732 40.84595   22.69220 40.84595   22.69220 ?          ?        59.91515 17.71732 ?        ?        ?         ?        
1 1 1 20 49 0  o 115.2441 14.65874 141.2589   32.90369 141.2589   32.90369 141.2589   32.90369 115.2441 14.65874 115.2441 14.65874 -0.000000 0.000000 
1 1 1 20 49 1  o 79.63605 14.80102 67.50929   22.69220 67.50929   22.69220 ?          ?        79.63605 14.80102 ?        ?        ?         ?        
1 1 1 20 49 2  o 46.81816 18.17731 15.88454   24.39412 15.88454   24.39412 ?          ?        46.81816 18.17731 ?        ?        ?         ?        
1 1 1 20 49 3  o 121.8828 9.774471 150.9031   23.82681 150.9031   23.82681 ?          ?        121.8828 9.774471 ?        ?        ?         ?        
1 1 1 20 49 4  o 170.3505 8.658574 293.8640   29.49986 293.8640   29.49986 ?          ?        170.3505 8.658574 ?        ?        ?         ?        
1 1 1 20 49 5  o 267.6701 8.265731 726.1503   44.24979 726.1503   44.24979 ?          ?        267.6701 8.265731 ?        ?        ?         ?        
1 1 1 20 49 6  o 52.45448 18.74961 26.66333   24.96142 26.66333   24.96142 ?          ?        52.45448 18.74961 ?        ?        ?         ?        
1 1 1 20 49 7  o 119.0313 10.72353 145.7974   25.52872 145.7974   25.52872 ?          ?        119.0313 10.72353 ?        ?        ?         ?        
1 1 1 20 49 8  o 37.90472 16.57504 -1.701915  23.82681 -1.701915  23.82681 ?          ?        37.90472 16.57504 ?        ?        ?         ?        
1 1 1 20 49 9  o 26.26582 13.11326 -70.91312  28.36525 -70.91312  28.36525 ?          ?        26.26582 13.11326 ?        ?        ?         ?        
1 1 1 20 49 10 o 127.5219 10.23198 168.4896   26.09603 168.4896   26.09603 ?          ?        127.5219 10.23198 ?        ?        ?         ?        
1 1 1 20 50 0  o 166.2144 12.77759 284.7871   41.98057 284.7871   41.98057 284.7871   41.98057 166.2144 12.77759 166.2144 12.77759 -0.000000 0.000000 
1 1 1 20 50 1  o 185.8573 7.783541 348.8925   28.93255 348.8925   28.93255 ?          ?        185.8573 7.783541 ?        ?        ?         ?        
1 1 1 20 50 2  o 128.2842 12.82453 169.0569   32.90369 169.0569   32.90369 ?          ?        128.2842 12.82453 ?        ?        ?         ?        
1 1 1 20 50 3  o 253.8050 8.046721 651.2661   40.84595 651.2661   40.84595 ?          ?        253.8050 8.046721 ?        ?        ?         ?        
1 1 1 20 50 4  o 134.8312 10.30842 185.5087   27.79794 185.5087   27.79794 ?          ?        134.8312 10.30842 ?        ?        ?         ?        
1 1 1 20 50 5  o 155.8767 9.462562 247.9123   29.49986 247.9123   29.49986 ?          ?        155.8767 9.462562 ?        ?        ?         ?        
1 1 1 20 50 6  o 63.28640 17.97855 44.81709   23.82681 44.81709   23.82681 ?          ?        63.28640 17.97855 ?        ?        ?         ?        
1 1 1 20 50 7  o 251.7583 7.886799 644.4584   39.71135 644.4584   39.71135 ?          ?        251.7583 7.886799 ?        ?        ?         ?        
1 1 1 20 50 8  o 76.78170 16.36990 65.80738   24.39412 65.80738   24.39412 ?          ?        76.78170 16.36990 ?        ?        ?         ?        
1 1 1 20 50 9  o 249.1355 8.083683 634.2470   40.27865 634.2470   40.27865 ?          ?        249.1355 8.083683 ?        ?        ?         ?        
1 1 1 20 51 0  o 137.8183 15.13750 200.2587   40.84595 200.2587   40.84595 200.2587   40.84595 137.8183 15.13750 137.8183 15.13750 -0.000000 0.000000 
1 1 1 20 51 1  o 184.5274 8.147076 344.3541   30.06716 344.3541   30.06716 ?          ?        184.5274 8.147076 ?        ?        ?         ?        
1 1 1 20 51 2  o 114.0911 11.68511 133.3167   26.66333 133.3167   26.66333 ?          ?        114.0911 11.68511 ?        ?        ?         ?        
1 1 1 20 51 3  o 251.2575 8.015411 639.3527   40.27865 639.3527   40.27865 ?          ?        251.2575 8.015411 ?        ?        ?         ?        
1 1 1 20 51 4  o 90.93275 13.72521 86.23035   24.96142 86.23035   24.96142 ?          ?        90.93275 13.72521 ?        ?        ?         ?        
1 1 1 20 51 5  o 156.2894 8.893100 249.0469   27.79794 249.0469   27.79794 ?          ?        156.2894 8.893100 ?        ?        ?         ?        
1 1 1 20 51 6  o 90.45284 13.79803 85.66305   24.96142 85.66305   24.96142 ?          ?        90.45284 13.79803 ?        ?        ?         ?        
1 1 1 20 51 7  o 188.7814 10.66807 367.6136   40.27865 367.6136   40.27865 ?          ?        188.7814 10.66807 ?        ?        ?         ?        
1 1 1 20 51 8  o 44.65135 18.54085 10.21149   27.23064 10.21149   27.23064 ?          ?        44.65135 18.54085 ?        ?        ?         ?        
1 1 1 20 51 9  o 57.62174 18.37182 37.44213   23.82681 37.44213   23.82681 ?          ?        57.62174 18.37182 ?        ?        ?         ?        
1 1 1 20 52 0  f 99.16078 21.17561 114.0283   36.87482 114.0283   36.87482 114.0283   36.87482 99.16078 21.17561 99.16078 21.17561 -0.000000 0.000000 
1 1 1 20 52 1  o 214.9073 7.787310 467.4593   33.47099 467.4593   33.47099 ?          ?        214.9073 7.787310 ?        ?        ?         ?        
1 1 1 20 52 2  o 231.9017 7.950527 545.1801   36.87482 545.1801   36.87482 ?          ?        231.9017 7.950527 ?        ?        ?         ?        
1 1 1 20 52 3  o 92.57333 13.17556 89.06688   24.39412 89.06688   24.39412 ?          ?        92.57333 13.17556 ?        ?        ?         ?        
1 1 1 20 52 4  o 130.8321 9.973098 175.2972   26.09603 175.2972   26.09603 ?          ?        130.8321 9.973098 ?        ?        ?         ?        
1 1 1 20 52 5  o 55.63787 18.40240 32.90369   23.82681 32.90369   23.82681 ?          ?        55.63787 18.40240 ?        ?        ?         ?        
1 1 1 20 52 6  o 142.5375 9.950102 208.7682   28.36525 208.7682   28.36525 ?          ?        142.5375 9.950102 ?        ?        ?         ?        
1 1 1 20 52 7  o 178.7892 9.995071 329.6042   35.74022 329.6042   35.74022 ?          ?        178.7892 9.995071 ?        ?        ?         ?        
1 1 1 20 52 8  o 144.1878 8.852596 213.3067   25.52872 213.3067   25.52872 ?          ?        144.1878 8.852596 ?        ?        ?         ?        
1 1 1 20 53 0  o 181.2710 12.32097 338.6811   44.24979 338.6811   44.24979 338.6811   44.24979 181.2710 12.32097 181.2710 12.32097 -0.000000 0.000000 
1 1 1 20 53 1  o 105.3931 11.84205 114.5956   24.96142 114.5956   24.96142 ?          ?        105.3931 11.84205 ?        ?        ?         ?        
1 1 1 20 53 2  o 99.58778 12.53237 102.6822   24.96142 102.6822   24.96142 ?          ?        99.58778 12.53237 ?        ?        ?         ?        
1 1 1 20 53 3  o 77.50459 16.58492 66.37468   24.96142 66.37468   24.96142 ?          ?        77.50459 16.58492 ?        ?        ?         ?        
1 1 1 20 53 4  o 27.24387 13.29914 -41.41326  23.82681 -41.41326  23.82681 ?          ?        27.24387 13.29914 ?        ?        ?         ?        
1 1 1 20 53 5  o 199.4084 8.250329 405.0558   32.90369 405.0558   32.90369 ?          ?        199.4084 8.250329 ?        ?        ?         ?        
1 1 1 20 53 6  o 31.52850 14.79604 -21.55759  23.82681 -21.55759  23.82681 ?          ?        31.52850 14.79604 ?        ?        ?         ?        
1 1 1 20 53 7  o 25.37136 12.61495 -57.86510  24.96142 -57.86510  24.96142 ?          ?        25.37136 12.61495 ?        ?        ?         ?        
1 1 1 20 53 8  o 63.11517 18.81969 45.95170   25.52872 45.95170   25.52872 ?          ?        63.11517 18.81969 ?        ?        ?         ?        
1 1 1 20 54 0  o 95.84377 25.41059 114.5956   41.98057 114.5956   41.98057 114.5956   41.98057 95.84377 25.41059 95.84377 25.41059 -0.000000 0.000000 
1 1 1 20 54 1  o 158.9733 9.099814 258.1238   28.93255 258.1238   28.93255 ?          ?        158.9733 9.099814 ?        ?        ?         ?        
1 1 1 20 54 2  o 117.0844 11.38637 141.8262   26.66333 141.8262   26.66333 ?          ?        117.0844 11.38637 ?        ?        ?         ?        
1 1 1 20 54 3  o 134.4372 10.33864 185.5087   27.79794 185.5087   27.79794 ?          ?        134.4372 10.33864 ?        ?        ?         ?        
1 1 1 20 54 4  o 179.8717 8.673342 330.1715   31.20177 330.1715   31.20177 ?          ?        179.8717 8.673342 ?        ?        ?         ?        
1 1 1 20 54 5  f 173.0821 8.194159 305.2101   28.36525 305.2101   28.36525 ?          ?        173.0821 8.194159 ?        ?        ?         ?        
1 1 1 20 54 6  o 201.5117 7.882688 414.1326   31.76908 414.1326   31.76908 ?          ?        201.5117 7.882688 ?        ?        ?         ?        
1 1 1 20 54 7  o 171.4888 8.435695 301.2389   28.93255 301.2389   28.93255 ?          ?        171.4888 8.435695 ?        ?        ?         ?        
1 1 1 20 55 0  o 102.3364 21.38736 121.9706   38.57674 121.9706   38.57674 121.9706   38.57674 102.3364 21.38736 102.3364 21.38736 -0.000000 0.000000 
1 1 1 20 55 1  o 142.1664 9.976074 207.0663   28.36525 207.0663   28.36525 ?          ?        142.1664 9.976074 ?        ?        ?         ?        
1 1 1 20 55 2  o 102.8188 12.69030 110.0572   26.09603 110.0572   26.09603 ?          ?        102.8188 12.69030 ?        ?        ?         ?        
1 1 1 20 55 3  o 94.57496 13.79648 94.17262   26.09603 94.17262   26.09603 ?          ?        94.57496 13.79648 ?        ?        ?         ?        
1 1 1 20 55 4  o 108.0687 12.59877 121.9706   27.23064 121.9706   27.23064 ?          ?        108.0687 12.59877 ?        ?        ?         ?        
1 1 1 20 55 5  o 71.08670 18.26066 57.86510   26.09603 57.86510   26.09603 ?          ?        71.08670 18.26066 ?        ?        ?         ?        
1 1 1 20 55 6  o 93.12781 14.31545 92.47070   26.66333 92.47070   26.66333 ?          ?        93.12781 14.31545 ?        ?        ?         ?        
1 1 1 20 55 7  o 42.20770 17.42336 9.644185   23.82681 9.644185   23.82681 ?          ?        42.20770 17.42336 ?        ?        ?         ?        
1 1 1 20 56 0  o 157.8653 12.92562 259.8257   40.27865 259.8257   40.27865 259.8257   40.27865 157.8653 12.92562 157.8653 12.92562 -0.000000 0.000000 
1 1 1 20 56 1  o 122.0368 11.38916 154.3070   27.79794 154.3070   27.79794 ?          ?        122.0368 11.38916 ?        ?        ?         ?        
1 1 1 20 56 2  o 47.96648 18.43615 19.28837   24.96142 19.28837   24.96142 ?          ?        47.96648 18.43615 ?        ?        ?         ?        
1 1 1 20 56 3  f 48.79504 18.52821 20.99029   24.96142 20.99029   24.96142 ?          ?        48.79504 18.52821 ?        ?        ?         ?        
1 1 1 20 56 4  o 80.50851 16.07122 72.04772   24.96142 72.04772   24.96142 ?          ?        80.50851 16.07122 ?        ?        ?         ?        
1 1 1 20 56 5  o 157.4545 8.466998 253.5853   26.66333 253.5853   26.66333 ?          ?        157.4545 8.466998 ?        ?        ?         ?        
1 1 1 20 56 6  o 135.0496 10.08172 188.9126   27.23064 188.9126   27.23064 ?          ?        135.0496 10.08172 ?        ?        ?         ?        
1 1 1 20 57 0  o 91.10780 23.83236 103.2495   37.44213 103.2495   37.44213 103.2495   37.44213 91.10780 23.83236 91.10780 23.83236 -0.000000 0.000000 
1 1 1 20 57 1  o 38.87322 17.07638 -2.269220  25.52872 -2.269220  25.52872 ?          ?        38.87322 17.07638 ?        ?        ?         ?        
1 1 1 20 57 2  o 42.04290 17.73081 6.240355   25.52872 6.240355   25.52872 ?          ?        42.04290 17.73081 ?        ?        ?         ?        
1 1 1 20 57 3  o 69.40232 19.04854 55.59589   27.23064 55.59589   27.23064 ?          ?        69.40232 19.04854 ?        ?        ?         ?        
1 1 1 20 57 4  o 136.8539 10.15607 193.4510   27.79794 193.4510   27.79794 ?          ?        136.8539 10.15607 ?        ?        ?         ?        
1 1 1 20 57 5  o 98.04851 13.30771 102.1149   26.09603 102.1149   26.09603 ?          ?        98.04851 13.30771 ?        ?        ?         ?        
1 1 1 20 58 0  o 39.21618 24.29422 17.58645   36.87482 17.58645   36.87482 17.58645   36.87482 39.21618 24.29422 39.21618 24.29422 -0.000000 0.000000 
1 1 1 20 58 1  o 145.3105 9.955427 217.8451   28.93255 217.8451   28.93255 ?          ?        145.3105 9.955427 ?        ?        ?         ?        
1 1 1 20 58 2  o 110.5537 11.80242 127.6436   26.09603 127.6436   26.09603 ?          ?        110.5537 11.80242 ?        ?        ?         ?        
1 1 1 20 58 3  o 229.1951 8.168179 536.6705   37.44213 536.6705   37.44213 ?          ?        229.1951 8.168179 ?        ?        ?         ?        
1 1 1 20 58 4  o 39.36686 17.08885 1.134610   24.96142 1.134610   24.96142 ?          ?        39.36686 17.08885 ?        ?        ?         ?        
1 1 1 20 59 0  o 123.4406 15.81324 165.6530   38.00943 165.6530   38.00943 165.6530   38.00943 123.4406 15.81324 123.4406 15.81324 -0.000000 0.000000 
1 1 1 20 59 1  o 140.7758 10.47760 205.3644   29.49986 205.3644   29.49986 ?          ?        140.7758 10.47760 ?        ?        ?         ?        
1 1 1 20 59 2  o 93.97250 13.88493 94.17262   26.09603 94.17262   26.09603 ?          ?        93.97250 13.88493 ?        ?        ?         ?        
1 1 1 20 59 3  f 87.05061 16.56342 85.09574   27.79794 85.09574   27.79794 ?          ?        87.05061 16.56342 ?        ?        ?         ?        
1 1 1 20 60 0  o 56.71643 28.08471 53.89397   38.00943 53.89397   38.00943 53.89397   38.00943 56.71643 28.08471 56.71643 28.08471 -0.000000 0.000000 
1 1 1 20 60 1  o 57.49827 19.25878 36.87482   26.09603 36.87482   26.09603 ?          ?        57.49827 19.25878 ?        ?        ?         ?        
1 1 1 20 60 2  o 138.0262 10.27531 197.4221   28.36525 197.4221   28.36525 ?          ?        138.0262 10.27531 ?        ?        ?         ?        
1 1 1 21 0  2  o 161.0315 23.90262 271.7391   73.74965 271.7391   73.74965 271.7391   73.74965 161.0315 23.90262 161.0315 23.90262 -0.000000 0.000000 
1 1 1 21 0  3  o 57.87382 34.85058 36.30752   71.48043 36.30752   71.48043 36.30752   71.48043 57.87382 34.85058 57.87382 34.85058 -0.000000 0.000000 
1 1 1 21 0  4  o 293.3729 15.95594 870.8131   93.03801 870.8131   93.03801 870.8131   93.03801 293.3729 15.95594 293.3729 15.95594 -0.000000 0.000000 
1 1 1 21 0  5  o 68.51862 32.24379 69.77851   49.35553 69.77851   49.35553 69.77851   49.35553 68.51862 32.24379 68.51862 32.24379 -0.000000 0.000000 
1 1 1 21 0  6  f 160.6870 14.15423 264.9314   44.81709 264.9314   44.81709 264.9314   44.81709 160.6870 14.15423 160.6870 14.15423 -0.000000 0.000000 
1 1 1 21 0  7  o 34.24552 22.69838 -6.240355  39.14404 -6.240355  39.14404 -6.240355  39.14404 34.24552 22.69838 34.24552 22.69838 -0.000000 0.000000 
1 1 1 21 0  8  o 396.6348 26.63330 1615.117   209.3355 1615.117   209.3355 1615.117   209.3355 396.6348 26.63330 396.6348 26.63330 -0.000000 0.000000 
1 1 1 21 0  9  o 299.2997 16.59748 908.8225   98.71106 908.8225   98.71106 908.8225   98.71106 299.2997 16.59748 299.2997 16.59748 -0.000000 0.000000 
1 1 1 21 0  10 o 133.6049 14.97435 186.0760   39.14404 186.0760   39.14404 186.0760   39.14404 133.6049 14.97435 133.6049 14.97435 -0.000000 0.000000 
1 1 1 21 0  11 o 151.3164 13.12304 235.4316   39.14404 235.4316   39.14404 235.4316   39.14404 151.3164 13.12304 151.3164 13.12304 -0.000000 0.000000 
1 1 1 21 0  12 o 318.0231 15.68998 1029.659   99.27837 1029.659   99.27837 1029.659   99.27837 318.0231 15.68998 318.0231 15.68998 -0.000000 0.000000 
1 1 1 21 0  13 o 27.36342 18.41448 -8.509575  27.79794 -8.509575  27.79794 -8.509575  27.79794 27.36342 18.41448 27.36342 18.41448 -0.000000 0.000000 
1 1 1 21 0  14 o 96.15800 39.02131 140.1243   73.18234 140.1243   73.18234 140.1243   73.18234 96.15800 39.02131 96.15800 39.02131 -0.000000 0.000000 
1 1 1 21 0  15 o 59.05633 36.94539 48.22092   87.36497 48.22092   87.36497 48.22092   87.36497 59.05633 36.94539 59.05633 36.94539 -0.000000 0.000000 
1 1 1 21 0  16 o 36.63402 24.45850 -3.403830  47.08631 -3.403830  47.08631 -3.403830  47.08631 36.63402 24.45850 36.63402 24.45850 -0.000000 0.000000 
1 1 1 21 1  0  f 595.3160 36.00856 3632.454   425.4788 3632.454   425.4788 3632.454   425.4788 595.3160 36.00856 595.3160 36.00856 -0.000000 0.000000 
1 1 1 21 1  1  o 143.9882 27.19314 217.2778   75.45156 217.2778   75.45156 ?          ?        143.9882 27.19314 ?        ?        ?         ?        
1 1 1 21 1  2  o 543.7365 22.43193 2986.861   243.9411 2986.861   243.9411 ?          ?        543.7365 22.43193 ?        ?        ?         ?        
1 1 1 21 1  4  f 259.8563 11.57069 677.3621   60.13433 677.3621   60.13433 ?          ?        259.8563 11.57069 ?        ?        ?         ?        
1 1 1 21 1  5  o 151.9676 13.62568 232.0277   41.41326 232.0277   41.41326 ?          ?        151.9676 13.62568 ?        ?        ?         ?        
1 1 1 21 1  6  o 295.9215 12.55687 879.8900   74.31695 879.8900   74.31695 ?          ?        295.9215 12.55687 ?        ?        ?         ?        
1 1 1 21 1  7  o 68.81648 20.15376 48.78823   29.49986 48.78823   29.49986 ?          ?        68.81648 20.15376 ?        ?        ?         ?        
1 1 1 21 1  8  o 141.9883 10.98745 202.5279   31.20177 202.5279   31.20177 ?          ?        141.9883 10.98745 ?        ?        ?         ?        
1 1 1 21 1  9  o 71.42094 19.91359 53.32666   29.49986 53.32666   29.49986 ?          ?        71.42094 19.91359 ?        ?        ?         ?        
1 1 1 21 1  10 o 185.7493 9.773258 346.6233   36.30752 346.6233   36.30752 ?          ?        185.7493 9.773258 ?        ?        ?         ?        
1 1 1 21 1  11 o 157.1689 9.204284 248.4796   28.93255 248.4796   28.93255 ?          ?        157.1689 9.204284 ?        ?        ?         ?        
1 1 1 21 1  12 o 203.0107 8.383376 414.6999   34.03830 414.6999   34.03830 ?          ?        203.0107 8.383376 ?        ?        ?         ?        
1 1 1 21 1  13 o 77.85043 18.47175 65.80738   28.36525 65.80738   28.36525 ?          ?        77.85043 18.47175 ?        ?        ?         ?        
1 1 1 21 1  14 o 130.9594 10.61319 174.7299   27.79794 174.7299   27.79794 ?          ?        130.9594 10.61319 ?        ?        ?         ?        
1 1 1 21 1  15 o 34.76554 14.94036 0.5673050  18.72106 0.5673050  18.72106 ?          ?        34.76554 14.94036 ?        ?        ?         ?        
1 1 1 21 1  16 o 64.49685 17.25046 47.08631   22.69220 47.08631   22.69220 ?          ?        64.49685 17.25046 ?        ?        ?         ?        
1 1 1 21 2  0  o 336.3154 24.72574 1156.735   164.5184 1156.735   164.5184 1156.735   164.5184 336.3154 24.72574 336.3154 24.72574 -0.000000 0.000000 
1 1 1 21 2  1  o 230.4536 13.78545 533.2667   63.53815 533.2667   63.53815 ?          ?        230.4536 13.78545 ?        ?        ?         ?        
1 1 1 21 2  2  o 153.9120 22.85261 239.4027   70.34581 239.4027   70.34581 ?          ?        153.9120 22.85261 ?        ?        ?         ?        
1 1 1 21 2  4  o 175.2492 19.09909 309.7485   66.94199 309.7485   66.94199 ?          ?        175.2492 19.09909 ?        ?        ?         ?        
1 1 1 21 2  5  o 236.9557 14.48455 564.4684   68.64390 564.4684   68.64390 ?          ?        236.9557 14.48455 ?        ?        ?         ?        
1 1 1 21 2  6  o 421.0294 13.87846 1783.039   116.8648 1783.039   116.8648 ?          ?        421.0294 13.87846 ?        ?        ?         ?        
1 1 1 21 2  7  o 78.16857 17.49497 64.10546   26.66333 64.10546   26.66333 ?          ?        78.16857 17.49497 ?        ?        ?         ?        
1 1 1 21 2  8  o 262.3744 9.946103 690.9775   52.19205 690.9775   52.19205 ?          ?        262.3744 9.946103 ?        ?        ?         ?        
1 1 1 21 2  9  o 273.7103 11.91772 753.3810   65.24007 753.3810   65.24007 ?          ?        273.7103 11.91772 ?        ?        ?         ?        
1 1 1 21 2  10 o 382.9111 12.74140 1477.829   97.57646 1477.829   97.57646 ?          ?        382.9111 12.74140 ?        ?        ?         ?        
1 1 1 21 2  11 o 108.1041 11.80747 117.9994   25.52872 117.9994   25.52872 ?          ?        108.1041 11.80747 ?        ?        ?         ?        
1 1 1 21 2  12 o 139.8205 11.96927 197.9895   33.47099 197.9895   33.47099 ?          ?        139.8205 11.96927 ?        ?        ?         ?        
1 1 1 21 2  13 o 55.78662 18.18201 31.76908   23.25950 31.76908   23.25950 ?          ?        55.78662 18.18201 ?        ?        ?         ?        
1 1 1 21 2  14 o 232.5147 7.929568 546.3147   36.87482 546.3147   36.87482 ?          ?        232.5147 7.929568 ?        ?        ?         ?        
1 1 1 21 2  15 o 104.2081 9.526936 111.1918   19.85567 111.1918   19.85567 ?          ?        104.2081 9.526936 ?        ?        ?         ?        
1 1 1 21 2  16 o 114.6837 8.409378 134.4513   19.28837 134.4513   19.28837 ?          ?        114.6837 8.409378 ?        ?        ?         ?        
1 1 1 21 3  0  o 719.4944 43.41808 5337.772   620.0643 5337.772   620.0643 5337.772   620.0643 719.4944 43.41808 719.4944 43.41808 -0.000000 0.000000 
1 1 1 21 3  2  o 571.0864 33.87421 3336.888   386.9020 3336.888   386.9020 ?          ?        571.0864 33.87421 ?        ?        ?         ?        
1 1 1 21 3  3  o 254.3984 13.49142 649.5642   68.64390 649.5642   68.64390 ?          ?        254.3984 13.49142 ?        ?        ?         ?        
1 1 1 21 3  4  o 385.0805 18.93077 1495.416   145.7974 1495.416   145.7974 ?          ?        385.0805 18.93077 ?        ?        ?         ?        
1 1 1 21 3  5  o 191.3906 11.85649 367.6136   45.38440 367.6136   45.38440 ?          ?        191.3906 11.85649 ?        ?        ?         ?        
1 1 1 21 3  6  o 337.8562 13.34909 1147.658   90.20149 1147.658   90.20149 ?          ?        337.8562 13.34909 ?        ?        ?         ?        
1 1 1 21 3  8  o 139.7123 12.18157 196.2875   34.03830 196.2875   34.03830 ?          ?        139.7123 12.18157 ?        ?        ?         ?        
1 1 1 21 3  9  o 166.3692 12.61669 278.5467   41.98057 278.5467   41.98057 ?          ?        166.3692 12.61669 ?        ?        ?         ?        
1 1 1 21 3  10 o 212.6843 9.602487 454.4113   40.84595 454.4113   40.84595 ?          ?        212.6843 9.602487 ?        ?        ?         ?        
1 1 1 21 3  11 o 89.80940 17.68519 85.09574   30.63447 85.09574   30.63447 ?          ?        89.80940 17.68519 ?        ?        ?         ?        
1 1 1 21 3  12 o 213.0440 10.51827 458.3824   44.81709 458.3824   44.81709 ?          ?        213.0440 10.51827 ?        ?        ?         ?        
1 1 1 21 3  13 o 62.08771 16.25608 41.41326   20.42298 41.41326   20.42298 ?          ?        62.08771 16.25608 ?        ?        ?         ?        
1 1 1 21 3  14 o 81.09383 12.59219 67.50929   20.42298 67.50929   20.42298 ?          ?        81.09383 12.59219 ?        ?        ?         ?        
1 1 1 21 3  15 o 60.08204 15.11050 39.71135   18.15376 39.71135   18.15376 ?          ?        60.08204 15.11050 ?        ?        ?         ?        
1 1 1 21 3  16 o 68.98341 13.21833 51.62476   17.58645 51.62476   17.58645 ?          ?        68.98341 13.21833 ?        ?        ?         ?        
1 1 1 21 4  1  o 180.8551 16.78184 329.0369   60.70163 329.0369   60.70163 ?          ?        180.8551 16.78184 ?        ?        ?         ?        
1 1 1 21 4  2  o 263.5542 19.80316 700.0543   104.3841 700.0543   104.3841 ?          ?        263.5542 19.80316 ?        ?        ?         ?        
1 1 1 21 4  3  o 367.6135 13.50309 1356.426   99.27837 1356.426   99.27837 ?          ?        367.6135 13.50309 ?        ?        ?         ?        
1 1 1 21 4  4  o 405.5032 15.45911 1653.694   125.3744 1653.694   125.3744 ?          ?        405.5032 15.45911 ?        ?        ?         ?        
1 1 1 21 4  5  o 331.7637 13.33774 1105.677   88.49958 1105.677   88.49958 ?          ?        331.7637 13.33774 ?        ?        ?         ?        
1 1 1 21 4  6  o 216.9589 11.37440 472.5651   49.35553 472.5651   49.35553 ?          ?        216.9589 11.37440 ?        ?        ?         ?        
1 1 1 21 4  7  o 97.88002 21.72745 100.9803   41.41326 100.9803   41.41326 ?          ?        97.88002 21.72745 ?        ?        ?         ?        
1 1 1 21 4  8  o 385.5661 14.78713 1498.820   114.0283 1498.820   114.0283 ?          ?        385.5661 14.78713 ?        ?        ?         ?        
1 1 1 21 4  9  o 289.6420 10.96839 843.0153   63.53815 843.0153   63.53815 ?          ?        289.6420 10.96839 ?        ?        ?         ?        
1 1 1 21 4  10 o 287.9142 8.866781 832.2363   51.05745 832.2363   51.05745 ?          ?        287.9142 8.866781 ?        ?        ?         ?        
1 1 1 21 4  11 o 168.9093 12.09110 288.1909   40.84595 288.1909   40.84595 ?          ?        168.9093 12.09110 ?        ?        ?         ?        
1 1 1 21 4  12 o 114.6811 10.14095 132.7494   23.25950 132.7494   23.25950 ?          ?        114.6811 10.14095 ?        ?        ?         ?        
1 1 1 21 4  13 o 86.90636 12.40277 77.15348   21.55759 77.15348   21.55759 ?          ?        86.90636 12.40277 ?        ?        ?         ?        
1 1 1 21 4  14 o 110.5832 9.747227 124.2398   21.55759 124.2398   21.55759 ?          ?        110.5832 9.747227 ?        ?        ?         ?        
1 1 1 21 4  15 o 85.08977 11.33413 74.88425   19.28837 74.88425   19.28837 ?          ?        85.08977 11.33413 ?        ?        ?         ?        
1 1 1 21 4  16 o 143.2435 8.514911 209.9028   24.39412 209.9028   24.39412 ?          ?        143.2435 8.514911 ?        ?        ?         ?        
1 1 1 21 5  1  f 404.3826 25.95350 1658.232   209.9028 1658.232   209.9028 ?          ?        404.3826 25.95350 ?        ?        ?         ?        
1 1 1 21 5  2  o 463.6588 28.38612 2184.124   263.2295 2184.124   263.2295 ?          ?        463.6588 28.38612 ?        ?        ?         ?        
1 1 1 21 5  3  o 83.52745 20.50045 73.18234   34.03830 73.18234   34.03830 ?          ?        83.52745 20.50045 ?        ?        ?         ?        
1 1 1 21 5  4  o 239.8483 10.99848 576.9491   52.75936 576.9491   52.75936 ?          ?        239.8483 10.99848 ?        ?        ?         ?        
1 1 1 21 5  5  o 36.21646 16.84196 -26.66333  29.49986 -26.66333  29.49986 ?          ?        36.21646 16.84196 ?        ?        ?         ?        
1 1 1 21 5  6  o 173.4806 9.646900 301.8062   33.47099 301.8062   33.47099 ?          ?        173.4806 9.646900 ?        ?        ?         ?        
1 1 1 21 5  7  o 48.74558 19.41468 12.48071   28.36525 12.48071   28.36525 ?          ?        48.74558 19.41468 ?        ?        ?         ?        
1 1 1 21 5  8  o 164.5832 11.89187 272.3064   39.14404 272.3064   39.14404 ?          ?        164.5832 11.89187 ?        ?        ?         ?        
1 1 1 21 5  9  o 149.5603 10.24151 224.6528   30.63447 224.6528   30.63447 ?          ?        149.5603 10.24151 ?        ?        ?         ?        
1 1 1 21 5  10 o 128.8425 12.54880 167.3549   32.33638 167.3549   32.33638 ?          ?        128.8425 12.54880 ?        ?        ?         ?        
1 1 1 21 5  11 o 112.7110 11.57653 128.2109   26.09603 128.2109   26.09603 ?          ?        112.7110 11.57653 ?        ?        ?         ?        
1 1 1 21 5  12 o 224.7518 8.203455 508.3052   36.87482 508.3052   36.87482 ?          ?        224.7518 8.203455 ?        ?        ?         ?        
1 1 1 21 5  13 o 132.4958 8.991530 177.5665   23.82681 177.5665   23.82681 ?          ?        132.4958 8.991530 ?        ?        ?         ?        
1 1 1 21 5  14 o 69.74915 14.69426 52.19205   19.85567 52.19205   19.85567 ?          ?        69.74915 14.69426 ?        ?        ?         ?        
1 1 1 21 5  15 o 79.74336 12.80544 66.37468   20.42298 66.37468   20.42298 ?          ?        79.74336 12.80544 ?        ?        ?         ?        
1 1 1 21 5  16 o 61.82336 15.22206 42.54787   18.72106 42.54787   18.72106 ?          ?        61.82336 15.22206 ?        ?        ?         ?        
1 1 1 21 6  1  o 323.0172 12.38169 1046.678   79.99000 1046.678   79.99000 ?          ?        323.0172 12.38169 ?        ?        ?         ?        
1 1 1 21 6  2  o 195.9002 13.75547 385.2001   53.89397 385.2001   53.89397 ?          ?        195.9002 13.75547 ?        ?        ?         ?        
1 1 1 21 6  3  o 161.2986 11.95817 260.9603   38.57674 260.9603   38.57674 ?          ?        161.2986 11.95817 ?        ?        ?         ?        
1 1 1 21 6  4  o 483.4588 17.83613 2355.450   172.4607 2355.450   172.4607 ?          ?        483.4588 17.83613 ?        ?        ?         ?        
1 1 1 21 6  5  o 44.19938 17.84554 8.509575   24.39412 8.509575   24.39412 ?          ?        44.19938 17.84554 ?        ?        ?         ?        
1 1 1 21 6  6  o 322.2582 13.02700 1043.841   83.96114 1043.841   83.96114 ?          ?        322.2582 13.02700 ?        ?        ?         ?        
1 1 1 21 6  7  o 243.2939 8.860718 593.4010   43.11518 593.4010   43.11518 ?          ?        243.2939 8.860718 ?        ?        ?         ?        
1 1 1 21 6  8  o 295.0757 12.01609 875.3516   70.91312 875.3516   70.91312 ?          ?        295.0757 12.01609 ?        ?        ?         ?        
1 1 1 21 6  9  o 215.9135 11.03535 468.5939   47.65361 468.5939   47.65361 ?          ?        215.9135 11.03535 ?        ?        ?         ?        
1 1 1 21 6  10 o 306.0350 10.19549 941.7263   62.40355 941.7263   62.40355 ?          ?        306.0350 10.19549 ?        ?        ?         ?        
1 1 1 21 6  11 o 144.6186 9.610777 210.4701   27.79794 210.4701   27.79794 ?          ?        144.6186 9.610777 ?        ?        ?         ?        
1 1 1 21 6  12 o 83.12711 13.64910 70.34581   22.69220 70.34581   22.69220 ?          ?        83.12711 13.64910 ?        ?        ?         ?        
1 1 1 21 6  13 o 88.22571 11.89579 79.42269   20.99029 79.42269   20.99029 ?          ?        88.22571 11.89579 ?        ?        ?         ?        
1 1 1 21 6  14 o 81.99532 13.14562 69.21120   21.55759 69.21120   21.55759 ?          ?        81.99532 13.14562 ?        ?        ?         ?        
1 1 1 21 6  15 o 76.24750 14.29249 62.97085   20.99029 62.97085   20.99029 ?          ?        76.24750 14.29249 ?        ?        ?         ?        
1 1 1 21 6  16 o 175.0480 7.940092 312.5851   27.79794 312.5851   27.79794 ?          ?        175.0480 7.940092 ?        ?        ?         ?        
1 1 1 21 7  0  o 769.3878 45.60620 6105.904   696.6505 6105.904   696.6505 6105.904   696.6505 769.3878 45.60620 769.3878 45.60620 -0.000000 0.000000 
1 1 1 21 7  1  o 283.5966 16.00315 808.4095   90.76879 808.4095   90.76879 ?          ?        283.5966 16.00315 ?        ?        ?         ?        
1 1 1 21 7  2  f 312.8023 14.59966 982.5721   91.33610 982.5721   91.33610 ?          ?        312.8023 14.59966 ?        ?        ?         ?        
1 1 1 21 7  3  o 93.11110 19.78742 90.76879   35.74022 90.76879   35.74022 ?          ?        93.11110 19.78742 ?        ?        ?         ?        
1 1 1 21 7  4  o 503.4768 18.98615 2557.411   191.1818 2557.411   191.1818 ?          ?        503.4768 18.98615 ?        ?        ?         ?        
1 1 1 21 7  5  o 218.5751 11.29029 479.3727   49.35553 479.3727   49.35553 ?          ?        218.5751 11.29029 ?        ?        ?         ?        
1 1 1 21 7  6  o 422.5278 14.16491 1796.088   119.7014 1796.088   119.7014 ?          ?        422.5278 14.16491 ?        ?        ?         ?        
1 1 1 21 7  7  o 166.8126 9.692429 279.1140   32.33638 279.1140   32.33638 ?          ?        166.8126 9.692429 ?        ?        ?         ?        
1 1 1 21 7  8  o 155.5462 9.847385 242.8065   30.63447 242.8065   30.63447 ?          ?        155.5462 9.847385 ?        ?        ?         ?        
1 1 1 21 7  9  o 324.0965 11.90286 1056.889   77.15348 1056.889   77.15348 ?          ?        324.0965 11.90286 ?        ?        ?         ?        
1 1 1 21 7  10 o 186.5996 9.880733 350.0272   36.87482 350.0272   36.87482 ?          ?        186.5996 9.880733 ?        ?        ?         ?        
1 1 1 21 7  11 o 105.4578 12.10376 112.3264   25.52872 112.3264   25.52872 ?          ?        105.4578 12.10376 ?        ?        ?         ?        
1 1 1 21 7  12 o 110.0445 10.82599 122.5379   23.82681 122.5379   23.82681 ?          ?        110.0445 10.82599 ?        ?        ?         ?        
1 1 1 21 7  13 o 216.4118 8.388526 473.1324   36.30752 473.1324   36.30752 ?          ?        216.4118 8.388526 ?        ?        ?         ?        
1 1 1 21 7  14 o 109.5779 9.577793 121.9706   20.99029 121.9706   20.99029 ?          ?        109.5779 9.577793 ?        ?        ?         ?        
1 1 1 21 7  15 o 59.94250 16.18347 39.71135   19.85567 39.71135   19.85567 ?          ?        59.94250 16.18347 ?        ?        ?         ?        
1 1 1 21 7  16 o 57.83390 16.40650 37.44213   19.85567 37.44213   19.85567 ?          ?        57.83390 16.40650 ?        ?        ?         ?        
1 1 1 21 8  0  o 290.1241 15.54160 850.9575   89.63419 850.9575   89.63419 850.9575   89.63419 290.1241 15.54160 290.1241 15.54160 -0.000000 0.000000 
1 1 1 21 8  1  o 389.2131 17.78234 1524.349   138.4224 1524.349   138.4224 ?          ?        389.2131 17.78234 ?        ?        ?         ?        
1 1 1 21 8  2  o 135.5547 17.99578 184.9414   48.78823 184.9414   48.78823 ?          ?        135.5547 17.99578 ?        ?        ?         ?        
1 1 1 21 8  3  o 265.6645 11.85158 707.9966   62.97085 707.9966   62.97085 ?          ?        265.6645 11.85158 ?        ?        ?         ?        
1 1 1 21 8  4  f 156.7702 12.84640 246.7777   40.27865 246.7777   40.27865 ?          ?        156.7702 12.84640 ?        ?        ?         ?        
1 1 1 21 8  5  o 201.3414 11.12963 406.7577   44.81709 406.7577   44.81709 ?          ?        201.3414 11.12963 ?        ?        ?         ?        
1 1 1 21 8  6  o 211.2793 11.54591 448.1709   48.78823 448.1709   48.78823 ?          ?        211.2793 11.54591 ?        ?        ?         ?        
1 1 1 21 8  7  o 292.5859 8.919100 858.3325   52.19205 858.3325   52.19205 ?          ?        292.5859 8.919100 ?        ?        ?         ?        
1 1 1 21 8  8  o 107.1960 14.02439 115.7302   30.06716 115.7302   30.06716 ?          ?        107.1960 14.02439 ?        ?        ?         ?        
1 1 1 21 8  9  o 254.7436 8.907859 651.2661   45.38440 651.2661   45.38440 ?          ?        254.7436 8.907859 ?        ?        ?         ?        
1 1 1 21 8  10 o 168.3185 9.774235 284.7871   32.90369 284.7871   32.90369 ?          ?        168.3185 9.774235 ?        ?        ?         ?        
1 1 1 21 8  11 o 40.86982 17.39685 0.5673050  24.96142 0.5673050  24.96142 ?          ?        40.86982 17.39685 ?        ?        ?         ?        
1 1 1 21 8  12 o 92.56805 13.48274 87.36497   24.96142 87.36497   24.96142 ?          ?        92.56805 13.48274 ?        ?        ?         ?        
1 1 1 21 8  13 o 185.2877 8.113642 346.6233   30.06716 346.6233   30.06716 ?          ?        185.2877 8.113642 ?        ?        ?         ?        
1 1 1 21 8  14 o 223.2857 8.130282 504.3341   36.30752 504.3341   36.30752 ?          ?        223.2857 8.130282 ?        ?        ?         ?        
1 1 1 21 8  15 o 49.78051 17.25182 24.96142   20.99029 24.96142   20.99029 ?          ?        49.78051 17.25182 ?        ?        ?         ?        
1 1 1 21 8  16 o 110.4668 10.01428 125.9417   22.12490 125.9417   22.12490 ?          ?        110.4668 10.01428 ?        ?        ?         ?        
1 1 1 21 9  0  f 319.7422 22.94773 1043.274   145.2301 1043.274   145.2301 1043.274   145.2301 319.7422 22.94773 319.7422 22.94773 -0.000000 0.000000 
1 1 1 21 9  1  o 316.4708 16.58153 1006.966   104.9514 1006.966   104.9514 ?          ?        316.4708 16.58153 ?        ?        ?         ?        
1 1 1 21 9  2  o 230.9368 12.28269 534.9686   56.73050 534.9686   56.73050 ?          ?        230.9368 12.28269 ?        ?        ?         ?        
1 1 1 21 9  3  o 208.4541 10.74987 435.6902   44.81709 435.6902   44.81709 ?          ?        208.4541 10.74987 ?        ?        ?         ?        
1 1 1 21 9  4  o 457.9994 14.86391 2109.240   136.1532 2109.240   136.1532 ?          ?        457.9994 14.86391 ?        ?        ?         ?        
1 1 1 21 9  5  o 315.6951 10.24292 999.5914   64.67276 999.5914   64.67276 ?          ?        315.6951 10.24292 ?        ?        ?         ?        
1 1 1 21 9  6  o 126.9369 10.72605 161.6819   27.23064 161.6819   27.23064 ?          ?        126.9369 10.72605 ?        ?        ?         ?        
1 1 1 21 9  7  o 193.2168 9.248734 374.4213   35.74022 374.4213   35.74022 ?          ?        193.2168 9.248734 ?        ?        ?         ?        
1 1 1 21 9  8  o 208.0585 10.36131 434.5556   43.11518 434.5556   43.11518 ?          ?        208.0585 10.36131 ?        ?        ?         ?        
1 1 1 21 9  9  o 314.3504 15.79103 999.5914   99.27837 999.5914   99.27837 ?          ?        314.3504 15.79103 ?        ?        ?         ?        
1 1 1 21 9  10 o 318.4962 9.529411 1019.447   60.70163 1019.447   60.70163 ?          ?        318.4962 9.529411 ?        ?        ?         ?        
1 1 1 21 9  11 o 105.5014 11.56104 112.3264   24.39412 112.3264   24.39412 ?          ?        105.5014 11.56104 ?        ?        ?         ?        
1 1 1 21 9  12 o 122.2783 10.67075 151.4704   26.09603 151.4704   26.09603 ?          ?        122.2783 10.67075 ?        ?        ?         ?        
1 1 1 21 9  13 o 109.6106 11.64519 122.5379   25.52872 122.5379   25.52872 ?          ?        109.6106 11.64519 ?        ?        ?         ?        
1 1 1 21 9  14 o 117.6865 9.399928 140.6916   22.12490 140.6916   22.12490 ?          ?        117.6865 9.399928 ?        ?        ?         ?        
1 1 1 21 9  15 o 31.75169 14.41605 -9.644185  19.85567 -9.644185  19.85567 ?          ?        31.75169 14.41605 ?        ?        ?         ?        
1 1 1 21 9  16 o 192.7368 7.947227 378.9597   30.63447 378.9597   30.63447 ?          ?        192.7368 7.947227 ?        ?        ?         ?        
1 1 1 21 10 1  o 460.3331 12.50865 2125.692   115.1629 2125.692   115.1629 ?          ?        460.3331 12.50865 ?        ?        ?         ?        
1 1 1 21 10 2  o 249.8311 8.742402 625.1701   43.68248 625.1701   43.68248 ?          ?        249.8311 8.742402 ?        ?        ?         ?        
1 1 1 21 10 3  o 60.18904 18.74581 36.30752   24.96142 36.30752   24.96142 ?          ?        60.18904 18.74581 ?        ?        ?         ?        
1 1 1 21 10 4  f 310.3502 16.17737 969.5242   100.4130 969.5242   100.4130 ?          ?        310.3502 16.17737 ?        ?        ?         ?        
1 1 1 21 10 5  o 143.1874 12.28213 205.9317   35.17290 205.9317   35.17290 ?          ?        143.1874 12.28213 ?        ?        ?         ?        
1 1 1 21 10 6  o 215.5908 10.52559 466.3247   45.38440 466.3247   45.38440 ?          ?        215.5908 10.52559 ?        ?        ?         ?        
1 1 1 21 10 7  o 224.4003 10.36518 505.4687   46.51900 505.4687   46.51900 ?          ?        224.4003 10.36518 ?        ?        ?         ?        
1 1 1 21 10 8  o 300.6117 9.435843 906.5533   56.73050 906.5533   56.73050 ?          ?        300.6117 9.435843 ?        ?        ?         ?        
1 1 1 21 10 9  o 123.8391 11.45246 154.3070   28.36525 154.3070   28.36525 ?          ?        123.8391 11.45246 ?        ?        ?         ?        
1 1 1 21 10 10 o 120.3408 11.07826 145.7974   26.66333 145.7974   26.66333 ?          ?        120.3408 11.07826 ?        ?        ?         ?        
1 1 1 21 10 11 o 112.5187 10.84003 127.6436   24.39412 127.6436   24.39412 ?          ?        112.5187 10.84003 ?        ?        ?         ?        
1 1 1 21 10 12 o 394.0784 11.87648 1579.377   93.60532 1579.377   93.60532 ?          ?        394.0784 11.87648 ?        ?        ?         ?        
1 1 1 21 10 13 o 108.4931 10.71934 119.7014   23.25950 119.7014   23.25950 ?          ?        108.4931 10.71934 ?        ?        ?         ?        
1 1 1 21 10 14 o 32.97179 14.98361 -11.34610  21.55759 -11.34610  21.55759 ?          ?        32.97179 14.98361 ?        ?        ?         ?        
1 1 1 21 10 15 o 100.1273 9.915215 102.6822   19.85567 102.6822   19.85567 ?          ?        100.1273 9.915215 ?        ?        ?         ?        
1 1 1 21 10 16 o 89.90592 11.98897 84.52843   21.55759 84.52843   21.55759 ?          ?        89.90592 11.98897 ?        ?        ?         ?        
1 1 1 21 11 0  o 318.5853 23.21768 1036.466   146.3647 1036.466   146.3647 1036.466   146.3647 318.5853 23.21768 318.5853 23.21768 -0.000000 0.000000 
1 1 1 21 11 1  o 474.3953 14.40998 2260.143   136.7205 2260.143   136.7205 ?          ?        474.3953 14.40998 ?        ?        ?         ?        
1 1 1 21 11 2  o 278.1711 9.993112 775.5059   55.59589 775.5059   55.59589 ?          ?        278.1711 9.993112 ?        ?        ?         ?        
1 1 1 21 11 3  o 112.5020 12.85868 127.0763   28.93255 127.0763   28.93255 ?          ?        112.5020 12.85868 ?        ?        ?         ?        
1 1 1 21 11 4  o 552.7366 15.65194 3074.226   173.0280 3074.226   173.0280 ?          ?        552.7366 15.65194 ?        ?        ?         ?        
1 1 1 21 11 5  f 149.9622 11.53811 225.7874   34.60560 225.7874   34.60560 ?          ?        149.9622 11.53811 ?        ?        ?         ?        
1 1 1 21 11 6  o 68.79536 24.19454 42.54787   41.41326 42.54787   41.41326 ?          ?        68.79536 24.19454 ?        ?        ?         ?        
1 1 1 21 11 7  o 409.4779 15.93250 1692.271   130.4801 1692.271   130.4801 ?          ?        409.4779 15.93250 ?        ?        ?         ?        
1 1 1 21 11 8  o 239.2683 8.891248 574.1126   42.54787 574.1126   42.54787 ?          ?        239.2683 8.891248 ?        ?        ?         ?        
1 1 1 21 11 9  o 216.5591 10.60951 471.4304   45.95170 471.4304   45.95170 ?          ?        216.5591 10.60951 ?        ?        ?         ?        
1 1 1 21 11 10 o 340.9212 11.14904 1170.350   76.01886 1170.350   76.01886 ?          ?        340.9212 11.14904 ?        ?        ?         ?        
1 1 1 21 11 11 o 144.7683 9.796773 211.0374   28.36525 211.0374   28.36525 ?          ?        144.7683 9.796773 ?        ?        ?         ?        
1 1 1 21 11 12 o 70.73174 17.35177 53.89397   24.39412 53.89397   24.39412 ?          ?        70.73174 17.35177 ?        ?        ?         ?        
1 1 1 21 11 13 o 166.5806 9.705929 281.3832   32.33638 281.3832   32.33638 ?          ?        166.5806 9.705929 ?        ?        ?         ?        
1 1 1 21 11 14 o 119.7180 9.477352 145.7974   22.69220 145.7974   22.69220 ?          ?        119.7180 9.477352 ?        ?        ?         ?        
1 1 1 21 11 15 o 85.26958 12.30819 75.45156   20.99029 75.45156   20.99029 ?          ?        85.26958 12.30819 ?        ?        ?         ?        
1 1 1 21 11 16 o 132.4869 8.778041 179.8357   23.25950 179.8357   23.25950 ?          ?        132.4869 8.778041 ?        ?        ?         ?        
1 1 1 21 12 0  o 155.6998 18.66603 253.5853   56.73050 253.5853   56.73050 253.5853   56.73050 155.6998 18.66603 155.6998 18.66603 -0.000000 0.000000 
1 1 1 21 12 1  o 529.7330 17.18837 2824.044   182.1049 2824.044   182.1049 ?          ?        529.7330 17.18837 ?        ?        ?         ?        
1 1 1 21 12 2  o 261.7837 8.451592 686.4390   44.24979 686.4390   44.24979 ?          ?        261.7837 8.451592 ?        ?        ?         ?        
1 1 1 21 12 3  o 153.6577 8.860814 236.5662   27.23064 236.5662   27.23064 ?          ?        153.6577 8.860814 ?        ?        ?         ?        
1 1 1 21 12 4  o 100.5111 14.11050 101.5476   28.36525 101.5476   28.36525 ?          ?        100.5111 14.11050 ?        ?        ?         ?        
1 1 1 21 12 5  o 555.7853 15.92334 3112.802   176.9992 3112.802   176.9992 ?          ?        555.7853 15.92334 ?        ?        ?         ?        
1 1 1 21 12 6  o 131.2712 11.66839 173.0280   30.63447 173.0280   30.63447 ?          ?        131.2712 11.66839 ?        ?        ?         ?        
1 1 1 21 12 7  o 390.0802 15.05231 1534.560   117.4321 1534.560   117.4321 ?          ?        390.0802 15.05231 ?        ?        ?         ?        
1 1 1 21 12 8  o 94.04906 13.87362 89.06688   26.09603 89.06688   26.09603 ?          ?        94.04906 13.87362 ?        ?        ?         ?        
1 1 1 21 12 9  o 226.2725 9.276550 513.9783   41.98057 513.9783   41.98057 ?          ?        226.2725 9.276550 ?        ?        ?         ?        
1 1 1 21 12 10 o 163.1864 9.733988 267.7679   31.76908 267.7679   31.76908 ?          ?        163.1864 9.733988 ?        ?        ?         ?        
1 1 1 21 12 11 f 142.7403 10.13468 205.3644   28.93255 205.3644   28.93255 ?          ?        142.7403 10.13468 ?        ?        ?         ?        
1 1 1 21 12 12 f 158.8410 8.750241 254.7199   27.79794 254.7199   27.79794 ?          ?        158.8410 8.750241 ?        ?        ?         ?        
1 1 1 21 12 13 o 75.32168 16.63815 61.26894   24.39412 61.26894   24.39412 ?          ?        75.32168 16.63815 ?        ?        ?         ?        
1 1 1 21 12 14 o 139.3286 9.161338 197.4221   25.52872 197.4221   25.52872 ?          ?        139.3286 9.161338 ?        ?        ?         ?        
1 1 1 21 12 15 o 44.91909 17.00986 17.01915   20.99029 17.01915   20.99029 ?          ?        44.91909 17.00986 ?        ?        ?         ?        
1 1 1 21 12 16 o 162.1299 8.047878 268.3353   26.09603 268.3353   26.09603 ?          ?        162.1299 8.047878 ?        ?        ?         ?        
1 1 1 21 13 0  o 38.07230 23.65749 11.34610   35.17290 11.34610   35.17290 11.34610   35.17290 38.07230 23.65749 38.07230 23.65749 -0.000000 0.000000 
1 1 1 21 13 1  f 627.8483 16.03837 3964.895   201.3933 3964.895   201.3933 ?          ?        627.8483 16.03837 ?        ?        ?         ?        
1 1 1 21 13 2  o 237.2670 8.368492 563.9012   39.71135 563.9012   39.71135 ?          ?        237.2670 8.368492 ?        ?        ?         ?        
1 1 1 21 13 3  o 358.8637 10.19640 1291.186   73.18234 1291.186   73.18234 ?          ?        358.8637 10.19640 ?        ?        ?         ?        
1 1 1 21 13 4  o 34.76254 15.89485 -17.58645  24.96142 -17.58645  24.96142 ?          ?        34.76254 15.89485 ?        ?        ?         ?        
1 1 1 21 13 5  o 377.0350 11.58579 1427.339   87.36497 1427.339   87.36497 ?          ?        377.0350 11.58579 ?        ?        ?         ?        
1 1 1 21 13 6  o 300.7133 10.09294 907.1206   60.70163 907.1206   60.70163 ?          ?        300.7133 10.09294 ?        ?        ?         ?        
1 1 1 21 13 7  o 229.7938 9.504713 529.8629   43.68248 529.8629   43.68248 ?          ?        229.7938 9.504713 ?        ?        ?         ?        
1 1 1 21 13 8  o 189.1304 7.948792 358.5367   30.06716 358.5367   30.06716 ?          ?        189.1304 7.948792 ?        ?        ?         ?        
1 1 1 21 13 9  o 86.28910 18.01063 78.28809   30.06716 78.28809   30.06716 ?          ?        86.28910 18.01063 ?        ?        ?         ?        
1 1 1 21 13 10 o 196.3380 9.101707 387.4693   35.74022 387.4693   35.74022 ?          ?        196.3380 9.101707 ?        ?        ?         ?        
1 1 1 21 13 11 o 317.0093 9.574109 1012.639   60.70163 1012.639   60.70163 ?          ?        317.0093 9.574109 ?        ?        ?         ?        
1 1 1 21 13 12 o 187.8557 8.002729 355.7002   30.06716 355.7002   30.06716 ?          ?        187.8557 8.002729 ?        ?        ?         ?        
1 1 1 21 13 13 o 43.65319 17.05915 13.04801   21.55759 13.04801   21.55759 ?          ?        43.65319 17.05915 ?        ?        ?         ?        
1 1 1 21 13 14 o 66.06595 15.67264 47.65361   20.42298 47.65361   20.42298 ?          ?        66.06595 15.67264 ?        ?        ?         ?        
1 1 1 21 13 15 o 29.49175 13.81467 -18.15376  20.42298 -18.15376  20.42298 ?          ?        29.49175 13.81467 ?        ?        ?         ?        
1 1 1 21 13 16 o 50.35137 16.55730 27.23064   19.28837 27.23064   19.28837 ?          ?        50.35137 16.55730 ?        ?        ?         ?        
1 1 1 21 14 0  o 191.8272 13.13734 373.8540   49.92284 373.8540   49.92284 373.8540   49.92284 191.8272 13.13734 191.8272 13.13734 -0.000000 0.000000 
1 1 1 21 14 1  o 484.5646 12.81973 2357.152   124.2398 2357.152   124.2398 ?          ?        484.5646 12.81973 ?        ?        ?         ?        
1 1 1 21 14 2  o 292.1048 8.933789 854.9286   52.19205 854.9286   52.19205 ?          ?        292.1048 8.933789 ?        ?        ?         ?        
1 1 1 21 14 3  o 172.7228 9.196551 298.9697   31.76908 298.9697   31.76908 ?          ?        172.7228 9.196551 ?        ?        ?         ?        
1 1 1 21 14 4  o 223.6978 8.749313 501.4976   39.14404 501.4976   39.14404 ?          ?        223.6978 8.749313 ?        ?        ?         ?        
1 1 1 21 14 5  o 285.4084 11.92617 818.0537   68.07660 818.0537   68.07660 ?          ?        285.4084 11.92617 ?        ?        ?         ?        
1 1 1 21 14 6  o 82.80611 18.60974 72.04772   30.06716 72.04772   30.06716 ?          ?        82.80611 18.60974 ?        ?        ?         ?        
1 1 1 21 14 7  o 118.9713 12.63631 142.3935   30.06716 142.3935   30.06716 ?          ?        118.9713 12.63631 ?        ?        ?         ?        
1 1 1 21 14 8  o 130.5609 11.51461 171.3261   30.06716 171.3261   30.06716 ?          ?        130.5609 11.51461 ?        ?        ?         ?        
1 1 1 21 14 9  o 72.66971 19.21873 55.59589   28.36525 55.59589   28.36525 ?          ?        72.66971 19.21873 ?        ?        ?         ?        
1 1 1 21 14 10 o 305.4078 10.40218 939.4571   63.53815 939.4571   63.53815 ?          ?        305.4078 10.40218 ?        ?        ?         ?        
1 1 1 21 14 11 o 104.7876 11.91048 111.1918   24.96142 111.1918   24.96142 ?          ?        104.7876 11.91048 ?        ?        ?         ?        
1 1 1 21 14 12 o 129.2519 11.19232 169.6242   28.93255 169.6242   28.93255 ?          ?        129.2519 11.19232 ?        ?        ?         ?        
1 1 1 21 14 13 o 122.9729 10.14915 153.7396   24.96142 153.7396   24.96142 ?          ?        122.9729 10.14915 ?        ?        ?         ?        
1 1 1 21 14 14 o 53.66020 17.73300 30.06716   22.12490 30.06716   22.12490 ?          ?        53.66020 17.73300 ?        ?        ?         ?        
1 1 1 21 14 15 o 26.16906 12.66392 -31.20177  20.42298 -31.20177  20.42298 ?          ?        26.16906 12.66392 ?        ?        ?         ?        
1 1 1 21 14 16 o 93.80370 10.58363 91.33610   19.85567 91.33610   19.85567 ?          ?        93.80370 10.58363 ?        ?        ?         ?        
1 1 1 21 15 0  o 325.6544 11.88042 1066.533   77.15348 1066.533   77.15348 1066.533   77.15348 325.6544 11.88042 325.6544 11.88042 -0.000000 0.000000 
1 1 1 21 15 1  o 366.9276 9.044656 1349.051   66.37468 1349.051   66.37468 ?          ?        366.9276 9.044656 ?        ?        ?         ?        
1 1 1 21 15 2  o 244.0003 7.672559 596.2375   37.44213 596.2375   37.44213 ?          ?        244.0003 7.672559 ?        ?        ?         ?        
1 1 1 21 15 3  o 221.7016 8.444262 492.4207   37.44213 492.4207   37.44213 ?          ?        221.7016 8.444262 ?        ?        ?         ?        
1 1 1 21 15 4  o 215.0663 8.309116 463.4882   35.74022 463.4882   35.74022 ?          ?        215.0663 8.309116 ?        ?        ?         ?        
1 1 1 21 15 5  o 738.9799 20.80431 5531.224   307.4793 5531.224   307.4793 ?          ?        738.9799 20.80431 ?        ?        ?         ?        
1 1 1 21 15 6  o 177.4422 10.39066 315.9889   36.87482 315.9889   36.87482 ?          ?        177.4422 10.39066 ?        ?        ?         ?        
1 1 1 21 15 7  o 140.4752 9.490405 197.9895   26.66333 197.9895   26.66333 ?          ?        140.4752 9.490405 ?        ?        ?         ?        
1 1 1 21 15 8  o 223.2976 13.08398 502.0649   58.43241 502.0649   58.43241 ?          ?        223.2976 13.08398 ?        ?        ?         ?        
1 1 1 21 15 9  o 141.8342 11.99932 202.5279   34.03830 202.5279   34.03830 ?          ?        141.8342 11.99932 ?        ?        ?         ?        
1 1 1 21 15 10 o 234.8103 8.697649 554.2570   40.84595 554.2570   40.84595 ?          ?        234.8103 8.697649 ?        ?        ?         ?        
1 1 1 21 15 11 o 117.8771 11.79107 140.6916   27.79794 140.6916   27.79794 ?          ?        117.8771 11.79107 ?        ?        ?         ?        
1 1 1 21 15 12 o 297.6855 9.147451 895.2073   54.46128 895.2073   54.46128 ?          ?        297.6855 9.147451 ?        ?        ?         ?        
1 1 1 21 15 13 o 237.3734 8.842730 570.7088   41.98057 570.7088   41.98057 ?          ?        237.3734 8.842730 ?        ?        ?         ?        
1 1 1 21 15 14 o 56.64526 17.64990 34.60560   22.12490 34.60560   22.12490 ?          ?        56.64526 17.64990 ?        ?        ?         ?        
1 1 1 21 15 15 o 97.24481 11.66756 98.14376   22.69220 98.14376   22.69220 ?          ?        97.24481 11.66756 ?        ?        ?         ?        
1 1 1 21 15 16 o 50.96355 17.27235 27.79794   20.99029 27.79794   20.99029 ?          ?        50.96355 17.27235 ?        ?        ?         ?        
1 1 1 21 16 0  o 324.7195 13.76788 1062.562   89.06688 1062.562   89.06688 1062.562   89.06688 324.7195 13.76788 324.7195 13.76788 -0.000000 0.000000 
1 1 1 21 16 1  o 341.2632 8.976788 1166.946   61.26894 1166.946   61.26894 ?          ?        341.2632 8.976788 ?        ?        ?         ?        
1 1 1 21 16 2  o 168.2807 8.090837 283.6525   27.23064 283.6525   27.23064 ?          ?        168.2807 8.090837 ?        ?        ?         ?        
1 1 1 21 16 3  o 464.5468 11.23505 2165.403   104.3841 2165.403   104.3841 ?          ?        464.5468 11.23505 ?        ?        ?         ?        
1 1 1 21 16 4  o 314.9066 8.647210 993.9183   54.46128 993.9183   54.46128 ?          ?        314.9066 8.647210 ?        ?        ?         ?        
1 1 1 21 16 5  o 339.0565 11.21035 1153.898   76.01886 1153.898   76.01886 ?          ?        339.0565 11.21035 ?        ?        ?         ?        
1 1 1 21 16 6  o 224.6954 8.079275 506.0360   36.30752 506.0360   36.30752 ?          ?        224.6954 8.079275 ?        ?        ?         ?        
1 1 1 21 16 7  o 403.9345 12.35914 1640.646   99.84568 1640.646   99.84568 ?          ?        403.9345 12.35914 ?        ?        ?         ?        
1 1 1 21 16 8  o 46.68591 20.75980 -14.18262  39.14404 -14.18262  39.14404 ?          ?        46.68591 20.75980 ?        ?        ?         ?        
1 1 1 21 16 9  o 375.5618 18.12660 1434.147   136.1532 1434.147   136.1532 ?          ?        375.5618 18.12660 ?        ?        ?         ?        
1 1 1 21 16 10 o 113.7846 13.21232 131.0475   30.06716 131.0475   30.06716 ?          ?        113.7846 13.21232 ?        ?        ?         ?        
1 1 1 21 16 11 o 194.7697 10.34007 382.9308   40.27865 382.9308   40.27865 ?          ?        194.7697 10.34007 ?        ?        ?         ?        
1 1 1 21 16 12 o 97.94897 13.61083 98.14376   26.66333 98.14376   26.66333 ?          ?        97.94897 13.61083 ?        ?        ?         ?        
1 1 1 21 16 13 o 39.71560 16.07333 7.942269   19.85567 7.942269   19.85567 ?          ?        39.71560 16.07333 ?        ?        ?         ?        
1 1 1 21 16 14 o 88.36497 13.16104 81.12460   23.25950 81.12460   23.25950 ?          ?        88.36497 13.16104 ?        ?        ?         ?        
1 1 1 21 16 15 o 87.10201 13.02622 79.42269   22.69220 79.42269   22.69220 ?          ?        87.10201 13.02622 ?        ?        ?         ?        
1 1 1 21 16 16 o 42.14183 16.72733 13.04801   20.99029 13.04801   20.99029 ?          ?        42.14183 16.72733 ?        ?        ?         ?        
1 1 1 21 17 0  o 57.77611 27.01045 49.35553   34.60560 49.35553   34.60560 49.35553   34.60560 57.77611 27.01045 57.77611 27.01045 -0.000000 0.000000 
1 1 1 21 17 1  o 355.9283 9.324163 1269.628   66.37468 1269.628   66.37468 ?          ?        355.9283 9.324163 ?        ?        ?         ?        
1 1 1 21 17 2  o 161.2304 8.092774 260.3930   26.09603 260.3930   26.09603 ?          ?        161.2304 8.092774 ?        ?        ?         ?        
1 1 1 21 17 3  o 156.3783 8.706654 245.0758   27.23064 245.0758   27.23064 ?          ?        156.3783 8.706654 ?        ?        ?         ?        
1 1 1 21 17 4  o 133.4515 10.62755 178.7011   28.36525 178.7011   28.36525 ?          ?        133.4515 10.62755 ?        ?        ?         ?        
1 1 1 21 17 5  o 118.3243 12.70540 140.6916   30.06716 140.6916   30.06716 ?          ?        118.3243 12.70540 ?        ?        ?         ?        
1 1 1 21 17 6  o 209.2277 9.083267 439.0940   38.00943 439.0940   38.00943 ?          ?        209.2277 9.083267 ?        ?        ?         ?        
1 1 1 21 17 7  o 176.9691 9.937584 314.2870   35.17290 314.2870   35.17290 ?          ?        176.9691 9.937584 ?        ?        ?         ?        
1 1 1 21 17 8  o 106.9540 15.91259 115.7302   34.03830 115.7302   34.03830 ?          ?        106.9540 15.91259 ?        ?        ?         ?        
1 1 1 21 17 9  f 270.9486 9.945424 738.0638   53.89397 738.0638   53.89397 ?          ?        270.9486 9.945424 ?        ?        ?         ?        
1 1 1 21 17 10 f 180.3366 8.336401 326.7676   30.06716 326.7676   30.06716 ?          ?        180.3366 8.336401 ?        ?        ?         ?        
1 1 1 21 17 11 o 259.5768 8.851274 678.4968   45.95170 678.4968   45.95170 ?          ?        259.5768 8.851274 ?        ?        ?         ?        
1 1 1 21 17 12 o 300.1288 10.11260 912.7936   60.70163 912.7936   60.70163 ?          ?        300.1288 10.11260 ?        ?        ?         ?        
1 1 1 21 17 13 o 46.77372 17.69368 17.58645   22.69220 17.58645   22.69220 ?          ?        46.77372 17.69368 ?        ?        ?         ?        
1 1 1 21 17 14 o 149.7897 8.521522 228.0566   25.52872 228.0566   25.52872 ?          ?        149.7897 8.521522 ?        ?        ?         ?        
1 1 1 21 17 15 o 37.89944 15.91513 4.538440   20.42298 4.538440   20.42298 ?          ?        37.89944 15.91513 ?        ?        ?         ?        
1 1 1 21 17 16 o 65.59888 15.38419 48.22092   19.85567 48.22092   19.85567 ?          ?        65.59888 15.38419 ?        ?        ?         ?        
1 1 1 21 18 0  o 258.6906 11.11889 673.9583   57.29780 673.9583   57.29780 673.9583   57.29780 258.6906 11.11889 258.6906 11.11889 -0.000000 0.000000 
1 1 1 21 18 1  f 349.8980 9.403794 1227.081   65.80738 1227.081   65.80738 ?          ?        349.8980 9.403794 ?        ?        ?         ?        
1 1 1 21 18 2  o 210.7133 7.942305 444.7671   33.47099 444.7671   33.47099 ?          ?        210.7133 7.942305 ?        ?        ?         ?        
1 1 1 21 18 3  o 334.9979 8.975330 1124.966   60.13433 1124.966   60.13433 ?          ?        334.9979 8.975330 ?        ?        ?         ?        
1 1 1 21 18 4  o 137.6129 10.92454 190.0471   30.06716 190.0471   30.06716 ?          ?        137.6129 10.92454 ?        ?        ?         ?        
1 1 1 21 18 5  o 386.4283 13.35946 1501.656   103.2495 1501.656   103.2495 ?          ?        386.4283 13.35946 ?        ?        ?         ?        
1 1 1 21 18 6  o 112.1228 12.90217 126.5090   28.93255 126.5090   28.93255 ?          ?        112.1228 12.90217 ?        ?        ?         ?        
1 1 1 21 18 7  f 297.0944 8.592799 884.9957   51.05745 884.9957   51.05745 ?          ?        297.0944 8.592799 ?        ?        ?         ?        
1 1 1 21 18 8  o 189.8789 9.112548 361.9406   34.60560 361.9406   34.60560 ?          ?        189.8789 9.112548 ?        ?        ?         ?        
1 1 1 21 18 9  o 191.6898 9.618356 369.3155   36.87482 369.3155   36.87482 ?          ?        191.6898 9.618356 ?        ?        ?         ?        
1 1 1 21 18 10 o 208.2420 8.308988 435.6902   34.60560 435.6902   34.60560 ?          ?        208.2420 8.308988 ?        ?        ?         ?        
1 1 1 21 18 11 o 93.33441 12.76421 88.49958   23.82681 88.49958   23.82681 ?          ?        93.33441 12.76421 ?        ?        ?         ?        
1 1 1 21 18 12 o 163.7126 9.182909 271.1718   30.06716 271.1718   30.06716 ?          ?        163.7126 9.182909 ?        ?        ?         ?        
1 1 1 21 18 13 o 72.88039 17.35073 57.86510   24.96142 57.86510   24.96142 ?          ?        72.88039 17.35073 ?        ?        ?         ?        
1 1 1 21 18 14 o 113.5719 10.98926 132.7494   24.96142 132.7494   24.96142 ?          ?        113.5719 10.98926 ?        ?        ?         ?        
1 1 1 21 18 15 o 68.34963 16.37532 52.19205   22.12490 52.19205   22.12490 ?          ?        68.34963 16.37532 ?        ?        ?         ?        
1 1 1 21 18 16 o 140.6587 9.679685 204.2298   27.23064 204.2298   27.23064 ?          ?        140.6587 9.679685 ?        ?        ?         ?        
1 1 1 21 19 0  o 37.56406 23.20718 11.91340   33.47099 11.91340   33.47099 11.91340   33.47099 37.56406 23.20718 37.56406 23.20718 -0.000000 0.000000 
1 1 1 21 19 1  o 558.9904 13.39634 3140.033   149.7685 3140.033   149.7685 ?          ?        558.9904 13.39634 ?        ?        ?         ?        
1 1 1 21 19 2  o 218.3876 7.273555 477.6707   31.76908 477.6707   31.76908 ?          ?        218.3876 7.273555 ?        ?        ?         ?        
1 1 1 21 19 3  o 545.2333 13.21411 2988.563   144.0954 2988.563   144.0954 ?          ?        545.2333 13.21411 ?        ?        ?         ?        
1 1 1 21 19 4  o 436.4142 10.85436 1911.250   94.73994 1911.250   94.73994 ?          ?        436.4142 10.85436 ?        ?        ?         ?        
1 1 1 21 19 5  o 490.7744 14.16024 2424.661   138.9897 2424.661   138.9897 ?          ?        490.7744 14.16024 ?        ?        ?         ?        
1 1 1 21 19 6  o 118.5338 11.96505 141.2589   28.36525 141.2589   28.36525 ?          ?        118.5338 11.96505 ?        ?        ?         ?        
1 1 1 21 19 7  o 217.3738 8.220913 473.6996   35.74022 473.6996   35.74022 ?          ?        217.3738 8.220913 ?        ?        ?         ?        
1 1 1 21 19 8  o 75.14141 19.47419 59.56702   29.49986 59.56702   29.49986 ?          ?        75.14141 19.47419 ?        ?        ?         ?        
1 1 1 21 19 9  o 141.6477 10.81361 201.9606   30.63447 201.9606   30.63447 ?          ?        141.6477 10.81361 ?        ?        ?         ?        
1 1 1 21 19 10 o 74.90031 17.68281 59.56702   26.09603 59.56702   26.09603 ?          ?        74.90031 17.68281 ?        ?        ?         ?        
1 1 1 21 19 11 o 118.4140 11.73761 142.3935   27.79794 142.3935   27.79794 ?          ?        118.4140 11.73761 ?        ?        ?         ?        
1 1 1 21 19 12 o 211.2010 8.729794 451.0074   36.87482 451.0074   36.87482 ?          ?        211.2010 8.729794 ?        ?        ?         ?        
1 1 1 21 19 13 o 125.7914 10.37274 161.1146   26.09603 161.1146   26.09603 ?          ?        125.7914 10.37274 ?        ?        ?         ?        
1 1 1 21 19 14 o 64.03453 18.74662 45.95170   25.52872 45.95170   25.52872 ?          ?        64.03453 18.74662 ?        ?        ?         ?        
1 1 1 21 19 15 o 29.04934 13.77418 -23.25950  21.55759 -23.25950  21.55759 ?          ?        29.04934 13.77418 ?        ?        ?         ?        
1 1 1 21 20 0  o 206.3216 10.22705 429.4498   41.98057 429.4498   41.98057 429.4498   41.98057 206.3216 10.22705 206.3216 10.22705 -0.000000 0.000000 
1 1 1 21 20 1  f 406.2371 10.26418 1655.396   83.39383 1655.396   83.39383 ?          ?        406.2371 10.26418 ?        ?        ?         ?        
1 1 1 21 20 2  o 217.7308 7.295494 474.8342   31.76908 474.8342   31.76908 ?          ?        217.7308 7.295494 ?        ?        ?         ?        
1 1 1 21 20 3  o 267.6552 7.630333 717.6408   40.84595 717.6408   40.84595 ?          ?        267.6552 7.630333 ?        ?        ?         ?        
1 1 1 21 20 4  o 100.8286 12.09682 102.1149   24.39412 102.1149   24.39412 ?          ?        100.8286 12.09682 ?        ?        ?         ?        
1 1 1 21 20 5  o 192.5071 8.693443 371.5847   33.47099 371.5847   33.47099 ?          ?        192.5071 8.693443 ?        ?        ?         ?        
1 1 1 21 20 6  o 259.9623 9.274600 677.9294   48.22092 677.9294   48.22092 ?          ?        259.9623 9.274600 ?        ?        ?         ?        
1 1 1 21 20 7  o 195.4985 9.285883 383.4982   36.30752 383.4982   36.30752 ?          ?        195.4985 9.285883 ?        ?        ?         ?        
1 1 1 21 20 8  o 193.4421 9.091328 375.5559   35.17290 375.5559   35.17290 ?          ?        193.4421 9.091328 ?        ?        ?         ?        
1 1 1 21 20 9  o 165.8154 10.60605 276.8448   35.17290 276.8448   35.17290 ?          ?        165.8154 10.60605 ?        ?        ?         ?        
1 1 1 21 20 10 o 102.3707 15.23960 106.6533   31.20177 106.6533   31.20177 ?          ?        102.3707 15.23960 ?        ?        ?         ?        
1 1 1 21 20 11 o 127.9605 11.08360 166.2204   28.36525 166.2204   28.36525 ?          ?        127.9605 11.08360 ?        ?        ?         ?        
1 1 1 21 20 12 o 153.6484 9.784408 239.4027   30.06716 239.4027   30.06716 ?          ?        153.6484 9.784408 ?        ?        ?         ?        
1 1 1 21 20 13 o 182.1763 8.252218 335.8446   30.06716 335.8446   30.06716 ?          ?        182.1763 8.252218 ?        ?        ?         ?        
1 1 1 21 20 14 o 134.8892 9.883422 186.6433   26.66333 186.6433   26.66333 ?          ?        134.8892 9.883422 ?        ?        ?         ?        
1 1 1 21 20 15 o 100.7167 11.26536 105.5187   22.69220 105.5187   22.69220 ?          ?        100.7167 11.26536 ?        ?        ?         ?        
1 1 1 21 21 0  o 22.39864 16.40121 -76.58617  39.14404 -76.58617  39.14404 -76.58617  39.14404 22.39864 16.40121 22.39864 16.40121 -0.000000 0.000000 
1 1 1 21 21 1  o 206.6480 7.412232 427.7480   30.63447 427.7480   30.63447 ?          ?        206.6480 7.412232 ?        ?        ?         ?        
1 1 1 21 21 2  o 171.5990 7.769083 294.9986   26.66333 294.9986   26.66333 ?          ?        171.5990 7.769083 ?        ?        ?         ?        
1 1 1 21 21 3  o 148.5741 8.782158 221.2489   26.09603 221.2489   26.09603 ?          ?        148.5741 8.782158 ?        ?        ?         ?        
1 1 1 21 21 4  o 202.2072 7.434740 409.5942   30.06716 409.5942   30.06716 ?          ?        202.2072 7.434740 ?        ?        ?         ?        
1 1 1 21 21 5  o 128.2261 10.39700 165.0858   26.66333 165.0858   26.66333 ?          ?        128.2261 10.39700 ?        ?        ?         ?        
1 1 1 21 21 6  o 81.87091 17.48922 70.34581   27.79794 70.34581   27.79794 ?          ?        81.87091 17.48922 ?        ?        ?         ?        
1 1 1 21 21 7  f 165.5332 9.767339 275.1429   32.33638 275.1429   32.33638 ?          ?        165.5332 9.767339 ?        ?        ?         ?        
1 1 1 21 21 8  o 147.7800 10.55683 219.5470   31.20177 219.5470   31.20177 ?          ?        147.7800 10.55683 ?        ?        ?         ?        
1 1 1 21 21 9  o 309.3150 10.45419 963.8511   64.67276 963.8511   64.67276 ?          ?        309.3150 10.45419 ?        ?        ?         ?        
1 1 1 21 21 10 o 215.8106 10.64630 470.2958   45.95170 470.2958   45.95170 ?          ?        215.8106 10.64630 ?        ?        ?         ?        
1 1 1 21 21 11 o 190.1362 8.503481 364.7771   32.33638 364.7771   32.33638 ?          ?        190.1362 8.503481 ?        ?        ?         ?        
1 1 1 21 21 12 f 243.2519 9.445292 599.6413   45.95170 599.6413   45.95170 ?          ?        243.2519 9.445292 ?        ?        ?         ?        
1 1 1 21 21 13 o 215.7913 8.149750 471.4304   35.17290 471.4304   35.17290 ?          ?        215.7913 8.149750 ?        ?        ?         ?        
1 1 1 21 21 14 o 55.69266 19.04830 32.33638   25.52872 32.33638   25.52872 ?          ?        55.69266 19.04830 ?        ?        ?         ?        
1 1 1 21 21 15 o 101.1569 11.49674 106.6533   23.25950 106.6533   23.25950 ?          ?        101.1569 11.49674 ?        ?        ?         ?        
1 1 1 21 22 0  f 110.1660 16.41265 127.0763   34.60560 127.0763   34.60560 127.0763   34.60560 110.1660 16.41265 110.1660 16.41265 -0.000000 0.000000 
1 1 1 21 22 1  o 243.5173 7.338331 593.9683   35.74022 593.9683   35.74022 ?          ?        243.5173 7.338331 ?        ?        ?         ?        
1 1 1 21 22 2  o 262.3171 7.569341 689.2755   39.71135 689.2755   39.71135 ?          ?        262.3171 7.569341 ?        ?        ?         ?        
1 1 1 21 22 3  o 247.4513 7.107036 613.2567   35.17290 613.2567   35.17290 ?          ?        247.4513 7.107036 ?        ?        ?         ?        
1 1 1 21 22 4  o 268.9606 8.120609 725.0157   43.68248 725.0157   43.68248 ?          ?        268.9606 8.120609 ?        ?        ?         ?        
1 1 1 21 22 5  o 213.7348 7.564605 457.8151   32.33638 457.8151   32.33638 ?          ?        213.7348 7.564605 ?        ?        ?         ?        
1 1 1 21 22 6  o 90.38750 13.80800 82.25922   24.96142 82.25922   24.96142 ?          ?        90.38750 13.80800 ?        ?        ?         ?        
1 1 1 21 22 7  o 190.5865 7.590397 364.2098   28.93255 364.2098   28.93255 ?          ?        190.5865 7.590397 ?        ?        ?         ?        
1 1 1 21 22 8  o 162.0200 9.628990 263.7968   31.20177 263.7968   31.20177 ?          ?        162.0200 9.628990 ?        ?        ?         ?        
1 1 1 21 22 9  o 506.6540 14.78016 2606.199   149.7685 2606.199   149.7685 ?          ?        506.6540 14.78016 ?        ?        ?         ?        
1 1 1 21 22 10 f 177.1845 9.605328 316.5562   34.03830 316.5562   34.03830 ?          ?        177.1845 9.605328 ?        ?        ?         ?        
1 1 1 21 22 11 o 84.09685 17.75321 76.01886   28.93255 76.01886   28.93255 ?          ?        84.09685 17.75321 ?        ?        ?         ?        
1 1 1 21 22 12 o 50.10892 19.25699 19.28837   27.23064 19.28837   27.23064 ?          ?        50.10892 19.25699 ?        ?        ?         ?        
1 1 1 21 22 13 o 157.5315 9.183099 252.4507   28.93255 252.4507   28.93255 ?          ?        157.5315 9.183099 ?        ?        ?         ?        
1 1 1 21 22 14 o 44.51059 17.89742 12.48071   24.39412 12.48071   24.39412 ?          ?        44.51059 17.89742 ?        ?        ?         ?        
1 1 1 21 22 15 o 99.77561 10.80303 103.2495   21.55759 103.2495   21.55759 ?          ?        99.77561 10.80303 ?        ?        ?         ?        
1 1 1 21 23 0  o 83.74763 23.86867 85.66305   34.60560 85.66305   34.60560 85.66305   34.60560 83.74763 23.86867 83.74763 23.86867 -0.000000 0.000000 
1 1 1 21 23 1  o 676.2897 15.93813 4608.218   215.5759 4608.218   215.5759 ?          ?        676.2897 15.93813 ?        ?        ?         ?        
1 1 1 21 23 2  o 95.03865 12.83379 90.76879   24.39412 90.76879   24.39412 ?          ?        95.03865 12.83379 ?        ?        ?         ?        
1 1 1 21 23 3  o 256.8519 7.509531 660.9103   38.57674 660.9103   38.57674 ?          ?        256.8519 7.509531 ?        ?        ?         ?        
1 1 1 21 23 4  o 149.2080 10.45580 223.5181   31.20177 223.5181   31.20177 ?          ?        149.2080 10.45580 ?        ?        ?         ?        
1 1 1 21 23 5  o 155.2652 8.221004 241.6719   25.52872 241.6719   25.52872 ?          ?        155.2652 8.221004 ?        ?        ?         ?        
1 1 1 21 23 6  o 268.4349 7.713839 722.1793   41.41326 722.1793   41.41326 ?          ?        268.4349 7.713839 ?        ?        ?         ?        
1 1 1 21 23 7  o 224.8795 7.946525 507.1707   35.74022 507.1707   35.74022 ?          ?        224.8795 7.946525 ?        ?        ?         ?        
1 1 1 21 23 8  o 183.5717 9.580156 338.6811   35.17290 338.6811   35.17290 ?          ?        183.5717 9.580156 ?        ?        ?         ?        
1 1 1 21 23 9  o 319.2396 8.796402 1024.553   56.16319 1024.553   56.16319 ?          ?        319.2396 8.796402 ?        ?        ?         ?        
1 1 1 21 23 10 o 163.6460 10.91998 270.6045   35.74022 270.6045   35.74022 ?          ?        163.6460 10.91998 ?        ?        ?         ?        
1 1 1 21 23 11 o 33.47792 15.78133 -30.06716  27.79794 -30.06716  27.79794 ?          ?        33.47792 15.78133 ?        ?        ?         ?        
1 1 1 21 23 12 o 37.76169 16.95255 -10.21149  26.66333 -10.21149  26.66333 ?          ?        37.76169 16.95255 ?        ?        ?         ?        
1 1 1 21 23 13 o 127.3440 9.800784 165.6530   24.96142 165.6530   24.96142 ?          ?        127.3440 9.800784 ?        ?        ?         ?        
1 1 1 21 23 14 o 40.42476 17.60658 -0.5673050 26.66333 -0.5673050 26.66333 ?          ?        40.42476 17.60658 ?        ?        ?         ?        
1 1 1 21 23 15 o 146.0037 8.742492 218.4124   25.52872 218.4124   25.52872 ?          ?        146.0037 8.742492 ?        ?        ?         ?        
1 1 1 21 24 0  f 163.6434 12.27059 272.8737   39.71135 272.8737   39.71135 272.8737   39.71135 163.6434 12.27059 163.6434 12.27059 -0.000000 0.000000 
1 1 1 21 24 1  o 322.3143 8.272463 1041.005   53.32666 1041.005   53.32666 ?          ?        322.3143 8.272463 ?        ?        ?         ?        
1 1 1 21 24 2  o 240.5808 7.427903 579.7856   35.74022 579.7856   35.74022 ?          ?        240.5808 7.427903 ?        ?        ?         ?        
1 1 1 21 24 3  o 251.5972 7.553628 634.2470   38.00943 634.2470   38.00943 ?          ?        251.5972 7.553628 ?        ?        ?         ?        
1 1 1 21 24 4  o 223.9574 7.472626 502.6322   33.47099 502.6322   33.47099 ?          ?        223.9574 7.472626 ?        ?        ?         ?        
1 1 1 21 24 5  o 226.4894 7.389087 513.9783   33.47099 513.9783   33.47099 ?          ?        226.4894 7.389087 ?        ?        ?         ?        
1 1 1 21 24 6  f 171.9926 8.575909 296.7005   29.49986 296.7005   29.49986 ?          ?        171.9926 8.575909 ?        ?        ?         ?        
1 1 1 21 24 7  o 79.73552 15.49406 66.37468   23.82681 66.37468   23.82681 ?          ?        79.73552 15.49406 ?        ?        ?         ?        
1 1 1 21 24 8  o 148.7428 9.534996 222.3835   28.36525 222.3835   28.36525 ?          ?        148.7428 9.534996 ?        ?        ?         ?        
1 1 1 21 24 9  o 201.4089 7.745878 407.3250   31.20177 407.3250   31.20177 ?          ?        201.4089 7.745878 ?        ?        ?         ?        
1 1 1 21 24 10 o 152.4673 9.116033 234.2970   27.79794 234.2970   27.79794 ?          ?        152.4673 9.116033 ?        ?        ?         ?        
1 1 1 21 24 11 o 240.7476 7.894043 584.3241   38.00943 584.3241   38.00943 ?          ?        240.7476 7.894043 ?        ?        ?         ?        
1 1 1 21 24 12 o 104.2736 11.69717 111.1918   24.39412 111.1918   24.39412 ?          ?        104.2736 11.69717 ?        ?        ?         ?        
1 1 1 21 24 13 o 111.6178 12.19816 128.7782   27.23064 128.7782   27.23064 ?          ?        111.6178 12.19816 ?        ?        ?         ?        
1 1 1 21 24 14 o 35.57938 15.90651 -6.807660  23.25950 -6.807660  23.25950 ?          ?        35.57938 15.90651 ?        ?        ?         ?        
1 1 1 21 24 15 o 247.4996 8.480936 627.4393   41.98057 627.4393   41.98057 ?          ?        247.4996 8.480936 ?        ?        ?         ?        
1 1 1 21 25 0  o 191.7902 11.02040 372.1520   41.98057 372.1520   41.98057 372.1520   41.98057 191.7902 11.02040 191.7902 11.02040 -0.000000 0.000000 
1 1 1 21 25 1  o 187.5192 7.714556 352.2964   28.93255 352.2964   28.93255 ?          ?        187.5192 7.714556 ?        ?        ?         ?        
1 1 1 21 25 2  o 399.9288 9.574976 1604.338   76.58617 1604.338   76.58617 ?          ?        399.9288 9.574976 ?        ?        ?         ?        
1 1 1 21 25 3  o 217.8233 7.292397 475.4016   31.76908 475.4016   31.76908 ?          ?        217.8233 7.292397 ?        ?        ?         ?        
1 1 1 21 25 4  o 157.6026 8.459039 249.0469   26.66333 249.0469   26.66333 ?          ?        157.6026 8.459039 ?        ?        ?         ?        
1 1 1 21 25 5  o 76.92499 15.66193 61.83624   23.25950 61.83624   23.25950 ?          ?        76.92499 15.66193 ?        ?        ?         ?        
1 1 1 21 25 6  o 72.30239 16.78550 55.02858   23.82681 55.02858   23.82681 ?          ?        72.30239 16.78550 ?        ?        ?         ?        
1 1 1 21 25 7  o 546.6961 13.23064 3013.524   144.6628 3013.524   144.6628 ?          ?        546.6961 13.23064 ?        ?        ?         ?        
1 1 1 21 25 8  o 259.3789 8.201876 675.6602   42.54787 675.6602   42.54787 ?          ?        259.3789 8.201876 ?        ?        ?         ?        
1 1 1 21 25 9  o 260.4799 7.513831 681.3333   39.14404 681.3333   39.14404 ?          ?        260.4799 7.513831 ?        ?        ?         ?        
1 1 1 21 25 10 o 135.3968 8.798882 184.9414   23.82681 184.9414   23.82681 ?          ?        135.3968 8.798882 ?        ?        ?         ?        
1 1 1 21 25 11 o 135.3054 9.643383 185.5087   26.09603 185.5087   26.09603 ?          ?        135.3054 9.643383 ?        ?        ?         ?        
1 1 1 21 25 12 o 128.7355 11.89822 169.6242   30.63447 169.6242   30.63447 ?          ?        128.7355 11.89822 ?        ?        ?         ?        
1 1 1 21 25 13 o 120.2234 10.38126 148.0666   24.96142 148.0666   24.96142 ?          ?        120.2234 10.38126 ?        ?        ?         ?        
1 1 1 21 25 14 o 50.12781 19.41608 20.99029   27.79794 20.99029   27.79794 ?          ?        50.12781 19.41608 ?        ?        ?         ?        
1 1 1 21 25 15 o 164.1605 8.466698 276.2775   27.79794 276.2775   27.79794 ?          ?        164.1605 8.466698 ?        ?        ?         ?        
1 1 1 21 26 0  o 353.6880 12.46462 1258.850   87.93227 1258.850   87.93227 1258.850   87.93227 353.6880 12.46462 353.6880 12.46462 -0.000000 0.000000 
1 1 1 21 26 1  o 59.20469 18.55010 35.17290   24.39412 35.17290   24.39412 ?          ?        59.20469 18.55010 ?        ?        ?         ?        
1 1 1 21 26 2  o 206.7030 8.233625 428.3152   34.03830 428.3152   34.03830 ?          ?        206.7030 8.233625 ?        ?        ?         ?        
1 1 1 21 26 3  o 410.2991 9.678636 1689.434   79.42269 1689.434   79.42269 ?          ?        410.2991 9.678636 ?        ?        ?         ?        
1 1 1 21 26 4  o 250.9070 7.574405 630.8431   38.00943 630.8431   38.00943 ?          ?        250.9070 7.574405 ?        ?        ?         ?        
1 1 1 21 26 5  f 261.0371 7.932448 683.0352   41.41326 683.0352   41.41326 ?          ?        261.0371 7.932448 ?        ?        ?         ?        
1 1 1 21 26 6  o 97.26982 12.53941 95.30723   24.39412 95.30723   24.39412 ?          ?        97.26982 12.53941 ?        ?        ?         ?        
1 1 1 21 26 7  o 308.9885 9.455436 959.3127   58.43241 959.3127   58.43241 ?          ?        308.9885 9.455436 ?        ?        ?         ?        
1 1 1 21 26 8  o 71.79542 15.83367 54.46128   22.12490 54.46128   22.12490 ?          ?        71.79542 15.83367 ?        ?        ?         ?        
1 1 1 21 26 9  o 241.2391 7.642797 584.8914   36.87482 584.8914   36.87482 ?          ?        241.2391 7.642797 ?        ?        ?         ?        
1 1 1 21 26 10 o 53.73007 18.18203 28.36525   23.25950 28.36525   23.25950 ?          ?        53.73007 18.18203 ?        ?        ?         ?        
1 1 1 21 26 11 o 151.7587 8.224048 232.5950   24.96142 232.5950   24.96142 ?          ?        151.7587 8.224048 ?        ?        ?         ?        
1 1 1 21 26 12 o 109.2910 11.16016 121.9706   24.39412 121.9706   24.39412 ?          ?        109.2910 11.16016 ?        ?        ?         ?        
1 1 1 21 26 13 o 161.7316 7.716928 265.4987   24.96142 265.4987   24.96142 ?          ?        161.7316 7.716928 ?        ?        ?         ?        
1 1 1 21 26 14 o 32.30782 15.06746 -18.72106  23.82681 -18.72106  23.82681 ?          ?        32.30782 15.06746 ?        ?        ?         ?        
1 1 1 21 26 15 f 87.08260 13.35485 80.55730   23.25950 80.55730   23.25950 ?          ?        87.08260 13.35485 ?        ?        ?         ?        
1 1 1 21 27 0  o 251.8737 11.53888 639.9200   57.86510 639.9200   57.86510 639.9200   57.86510 251.8737 11.53888 251.8737 11.53888 -0.000000 0.000000 
1 1 1 21 27 1  o 295.2102 8.167218 873.6497   48.22092 873.6497   48.22092 ?          ?        295.2102 8.167218 ?        ?        ?         ?        
1 1 1 21 27 2  o 278.0517 7.855100 774.9386   43.68248 774.9386   43.68248 ?          ?        278.0517 7.855100 ?        ?        ?         ?        
1 1 1 21 27 3  o 435.9875 10.40956 1908.414   90.76879 1908.414   90.76879 ?          ?        435.9875 10.40956 ?        ?        ?         ?        
1 1 1 21 27 4  o 177.7005 8.300444 316.5562   29.49986 316.5562   29.49986 ?          ?        177.7005 8.300444 ?        ?        ?         ?        
1 1 1 21 27 5  o 143.2298 9.505931 205.9317   27.23064 205.9317   27.23064 ?          ?        143.2298 9.505931 ?        ?        ?         ?        
1 1 1 21 27 6  o 60.37255 17.95605 37.44213   23.25950 37.44213   23.25950 ?          ?        60.37255 17.95605 ?        ?        ?         ?        
1 1 1 21 27 7  o 228.9522 7.681278 525.8917   35.17290 525.8917   35.17290 ?          ?        228.9522 7.681278 ?        ?        ?         ?        
1 1 1 21 27 8  o 62.50069 18.05117 40.84595   23.82681 40.84595   23.82681 ?          ?        62.50069 18.05117 ?        ?        ?         ?        
1 1 1 21 27 9  o 195.0019 9.745913 383.4982   38.00943 383.4982   38.00943 ?          ?        195.0019 9.745913 ?        ?        ?         ?        
1 1 1 21 27 10 o 49.28238 18.24017 20.42298   23.82681 20.42298   23.82681 ?          ?        49.28238 18.24017 ?        ?        ?         ?        
1 1 1 21 27 11 o 254.7530 9.018875 656.9391   45.95170 656.9391   45.95170 ?          ?        254.7530 9.018875 ?        ?        ?         ?        
1 1 1 21 27 12 o 110.7691 11.01124 125.3744   24.39412 125.3744   24.39412 ?          ?        110.7691 11.01124 ?        ?        ?         ?        
1 1 1 21 27 13 o 253.8252 8.604836 656.9391   43.68248 656.9391   43.68248 ?          ?        253.8252 8.604836 ?        ?        ?         ?        
1 1 1 21 27 14 o 38.49882 16.38282 3.403830   22.12490 3.403830   22.12490 ?          ?        38.49882 16.38282 ?        ?        ?         ?        
1 1 1 21 28 0  o 562.0732 18.15871 3188.821   203.6625 3188.821   203.6625 3188.821   203.6625 562.0732 18.15871 562.0732 18.15871 -0.000000 0.000000 
1 1 1 21 28 1  o 338.8899 8.537449 1151.629   57.86510 1151.629   57.86510 ?          ?        338.8899 8.537449 ?        ?        ?         ?        
1 1 1 21 28 2  o 63.94611 17.91860 42.54787   23.82681 42.54787   23.82681 ?          ?        63.94611 17.91860 ?        ?        ?         ?        
1 1 1 21 28 3  o 316.1112 8.524528 1001.861   53.89397 1001.861   53.89397 ?          ?        316.1112 8.524528 ?        ?        ?         ?        
1 1 1 21 28 4  o 57.49704 19.46701 31.20177   26.66333 31.20177   26.66333 ?          ?        57.49704 19.46701 ?        ?        ?         ?        
1 1 1 21 28 5  o 267.1950 7.749632 715.9388   41.41326 715.9388   41.41326 ?          ?        267.1950 7.749632 ?        ?        ?         ?        
1 1 1 21 28 6  o 276.1517 7.703713 764.7272   42.54787 764.7272   42.54787 ?          ?        276.1517 7.703713 ?        ?        ?         ?        
1 1 1 21 28 7  o 268.0353 7.831165 721.0446   41.98057 721.0446   41.98057 ?          ?        268.0353 7.831165 ?        ?        ?         ?        
1 1 1 21 28 8  o 127.4224 9.572145 163.3838   24.39412 163.3838   24.39412 ?          ?        127.4224 9.572145 ?        ?        ?         ?        
1 1 1 21 28 9  o 40.40099 18.22775 -14.74993  31.20177 -14.74993  31.20177 ?          ?        40.40099 18.22775 ?        ?        ?         ?        
1 1 1 21 28 10 o 142.4698 8.561152 204.7971   24.39412 204.7971   24.39412 ?          ?        142.4698 8.561152 ?        ?        ?         ?        
1 1 1 21 28 11 o 277.9387 8.368573 781.1789   46.51900 781.1789   46.51900 ?          ?        277.9387 8.368573 ?        ?        ?         ?        
1 1 1 21 28 12 o 101.4726 12.29959 106.0860   24.96142 106.0860   24.96142 ?          ?        101.4726 12.29959 ?        ?        ?         ?        
1 1 1 21 28 13 o 189.7266 7.774306 365.3444   29.49986 365.3444   29.49986 ?          ?        189.7266 7.774306 ?        ?        ?         ?        
1 1 1 21 28 14 o 32.99847 15.26475 -15.88454  23.82681 -15.88454  23.82681 ?          ?        32.99847 15.26475 ?        ?        ?         ?        
1 1 1 21 29 0  o 231.8634 11.56070 542.9108   53.32666 542.9108   53.32666 542.9108   53.32666 231.8634 11.56070 231.8634 11.56070 -0.000000 0.000000 
1 1 1 21 29 1  o 221.8037 7.545184 492.9881   33.47099 492.9881   33.47099 ?          ?        221.8037 7.545184 ?        ?        ?         ?        
1 1 1 21 29 2  o 383.1277 9.032393 1472.156   69.21120 1472.156   69.21120 ?          ?        383.1277 9.032393 ?        ?        ?         ?        
1 1 1 21 29 3  o 167.1779 8.653226 280.2487   28.93255 280.2487   28.93255 ?          ?        167.1779 8.653226 ?        ?        ?         ?        
1 1 1 21 29 4  o 343.9985 10.14227 1188.504   69.77851 1188.504   69.77851 ?          ?        343.9985 10.14227 ?        ?        ?         ?        
1 1 1 21 29 5  o 143.0025 9.719392 205.3644   27.79794 205.3644   27.79794 ?          ?        143.0025 9.719392 ?        ?        ?         ?        
1 1 1 21 29 6  o 133.5631 9.556800 179.2684   25.52872 179.2684   25.52872 ?          ?        133.5631 9.556800 ?        ?        ?         ?        
1 1 1 21 29 7  o 161.1508 8.448808 260.9603   27.23064 260.9603   27.23064 ?          ?        161.1508 8.448808 ?        ?        ?         ?        
1 1 1 21 29 8  o 87.64610 15.78672 80.55730   26.66333 80.55730   26.66333 ?          ?        87.64610 15.78672 ?        ?        ?         ?        
1 1 1 21 29 9  o 136.9230 8.493644 188.9126   23.25950 188.9126   23.25950 ?          ?        136.9230 8.493644 ?        ?        ?         ?        
1 1 1 21 29 10 o 46.14741 16.69977 18.72106   19.85567 18.72106   19.85567 ?          ?        46.14741 16.69977 ?        ?        ?         ?        
1 1 1 21 29 11 o 46.82106 17.34574 18.72106   21.55759 18.72106   21.55759 ?          ?        46.82106 17.34574 ?        ?        ?         ?        
1 1 1 21 29 12 o 30.41041 14.36659 -24.96142  23.25950 -24.96142  23.25950 ?          ?        30.41041 14.36659 ?        ?        ?         ?        
1 1 1 21 29 13 o 140.0812 9.517101 200.8260   26.66333 200.8260   26.66333 ?          ?        140.0812 9.517101 ?        ?        ?         ?        
1 1 1 21 29 14 o 42.93858 16.46043 15.31723   19.85567 15.31723   19.85567 ?          ?        42.93858 16.46043 ?        ?        ?         ?        
1 1 1 21 30 0  f 343.8231 12.57665 1190.206   86.23035 1190.206   86.23035 1190.206   86.23035 343.8231 12.57665 343.8231 12.57665 -0.000000 0.000000 
1 1 1 21 30 1  o 130.1472 11.55121 170.1915   30.06716 170.1915   30.06716 ?          ?        130.1472 11.55121 ?        ?        ?         ?        
1 1 1 21 30 2  o 224.8361 7.695740 506.6033   34.60560 506.6033   34.60560 ?          ?        224.8361 7.695740 ?        ?        ?         ?        
1 1 1 21 30 3  o 301.8636 8.644973 913.9283   52.19205 913.9283   52.19205 ?          ?        301.8636 8.644973 ?        ?        ?         ?        
1 1 1 21 30 4  o 154.6402 8.621089 239.9700   26.66333 239.9700   26.66333 ?          ?        154.6402 8.621089 ?        ?        ?         ?        
1 1 1 21 30 5  o 247.0324 8.267329 612.1221   40.84595 612.1221   40.84595 ?          ?        247.0324 8.267329 ?        ?        ?         ?        
1 1 1 21 30 6  f 178.4408 7.471198 319.3927   26.66333 319.3927   26.66333 ?          ?        178.4408 7.471198 ?        ?        ?         ?        
1 1 1 21 30 7  o 240.3835 7.905999 580.3530   38.00943 580.3530   38.00943 ?          ?        240.3835 7.905999 ?        ?        ?         ?        
1 1 1 21 30 8  o 174.0880 7.658004 304.6428   26.66333 304.6428   26.66333 ?          ?        174.0880 7.658004 ?        ?        ?         ?        
1 1 1 21 30 9  o 170.3360 7.493638 292.1620   25.52872 292.1620   25.52872 ?          ?        170.3360 7.493638 ?        ?        ?         ?        
1 1 1 21 30 10 o 55.93706 17.93861 32.33638   22.69220 32.33638   22.69220 ?          ?        55.93706 17.93861 ?        ?        ?         ?        
1 1 1 21 30 11 o 183.5888 7.725214 340.3830   28.36525 340.3830   28.36525 ?          ?        183.5888 7.725214 ?        ?        ?         ?        
1 1 1 21 30 12 f 142.8743 8.735446 207.6336   24.96142 207.6336   24.96142 ?          ?        142.8743 8.735446 ?        ?        ?         ?        
1 1 1 21 30 13 o 41.63140 17.54379 5.673049   24.96142 5.673049   24.96142 ?          ?        41.63140 17.54379 ?        ?        ?         ?        
1 1 1 21 30 14 o 63.41317 18.52833 45.95170   24.96142 45.95170   24.96142 ?          ?        63.41317 18.52833 ?        ?        ?         ?        
1 1 1 21 31 0  o 476.0932 16.06691 2285.104   152.6050 2285.104   152.6050 2285.104   152.6050 476.0932 16.06691 476.0932 16.06691 -0.000000 0.000000 
1 1 1 21 31 1  o 225.8368 7.661639 511.1418   34.60560 511.1418   34.60560 ?          ?        225.8368 7.661639 ?        ?        ?         ?        
1 1 1 21 31 2  o 56.92806 19.25880 30.63447   26.09603 30.63447   26.09603 ?          ?        56.92806 19.25880 ?        ?        ?         ?        
1 1 1 21 31 3  o 265.7252 7.685752 707.9966   40.84595 707.9966   40.84595 ?          ?        265.7252 7.685752 ?        ?        ?         ?        
1 1 1 21 31 4  o 49.63394 18.76953 18.15376   25.52872 18.15376   25.52872 ?          ?        49.63394 18.76953 ?        ?        ?         ?        
1 1 1 21 31 5  f 325.3602 8.456563 1062.562   55.02858 1062.562   55.02858 ?          ?        325.3602 8.456563 ?        ?        ?         ?        
1 1 1 21 31 6  o 41.98054 17.38210 5.105744   23.82681 5.105744   23.82681 ?          ?        41.98054 17.38210 ?        ?        ?         ?        
1 1 1 21 31 7  o 50.94505 19.04232 20.42298   26.09603 20.42298   26.09603 ?          ?        50.94505 19.04232 ?        ?        ?         ?        
1 1 1 21 31 8  o 174.4559 8.617409 306.3447   30.06716 306.3447   30.06716 ?          ?        174.4559 8.617409 ?        ?        ?         ?        
1 1 1 21 31 9  o 99.12504 11.44625 99.84568   22.69220 99.84568   22.69220 ?          ?        99.12504 11.44625 ?        ?        ?         ?        
1 1 1 21 31 10 o 232.2981 7.448534 544.0455   34.60560 544.0455   34.60560 ?          ?        232.2981 7.448534 ?        ?        ?         ?        
1 1 1 21 31 11 o 118.8413 9.785954 143.5282   23.25950 143.5282   23.25950 ?          ?        118.8413 9.785954 ?        ?        ?         ?        
1 1 1 21 31 12 o 108.9521 12.49661 123.1052   27.23064 123.1052   27.23064 ?          ?        108.9521 12.49661 ?        ?        ?         ?        
1 1 1 21 31 13 o 117.5873 9.649082 141.8262   22.69220 141.8262   22.69220 ?          ?        117.5873 9.649082 ?        ?        ?         ?        
1 1 1 21 31 14 o 122.7218 10.16992 156.0089   24.96142 156.0089   24.96142 ?          ?        122.7218 10.16992 ?        ?        ?         ?        
1 1 1 21 32 0  o 397.6780 13.94631 1593.560   110.6245 1593.560   110.6245 1593.560   110.6245 397.6780 13.94631 397.6780 13.94631 -0.000000 0.000000 
1 1 1 21 32 1  o 478.4184 10.96858 2300.422   104.9514 2300.422   104.9514 ?          ?        478.4184 10.96858 ?        ?        ?         ?        
1 1 1 21 32 2  o 131.4607 9.925407 173.5953   26.09603 173.5953   26.09603 ?          ?        131.4607 9.925407 ?        ?        ?         ?        
1 1 1 21 32 3  o 143.4169 9.295743 206.4990   26.66333 206.4990   26.66333 ?          ?        143.4169 9.295743 ?        ?        ?         ?        
1 1 1 21 32 4  o 256.2650 7.969474 658.6411   40.84595 658.6411   40.84595 ?          ?        256.2650 7.969474 ?        ?        ?         ?        
1 1 1 21 32 5  o 283.3762 8.408190 806.1404   47.65361 806.1404   47.65361 ?          ?        283.3762 8.408190 ?        ?        ?         ?        
1 1 1 21 32 6  o 263.5422 8.179938 697.7851   43.11518 697.7851   43.11518 ?          ?        263.5422 8.179938 ?        ?        ?         ?        
1 1 1 21 32 7  o 109.0091 12.75029 120.2687   27.79794 120.2687   27.79794 ?          ?        109.0091 12.75029 ?        ?        ?         ?        
1 1 1 21 32 8  f 196.8911 7.491416 389.7385   29.49986 389.7385   29.49986 ?          ?        196.8911 7.491416 ?        ?        ?         ?        
1 1 1 21 32 9  o 166.9896 9.512292 281.9506   31.76908 281.9506   31.76908 ?          ?        166.9896 9.512292 ?        ?        ?         ?        
1 1 1 21 32 10 o 128.1416 8.854343 166.2204   22.69220 166.2204   22.69220 ?          ?        128.1416 8.854343 ?        ?        ?         ?        
1 1 1 21 32 11 o 56.63095 17.65080 34.03830   22.12490 34.03830   22.12490 ?          ?        56.63095 17.65080 ?        ?        ?         ?        
1 1 1 21 32 12 o 44.18465 17.10164 15.31723   21.55759 15.31723   21.55759 ?          ?        44.18465 17.10164 ?        ?        ?         ?        
1 1 1 21 32 13 o 61.16439 17.30820 41.98057   22.12490 41.98057   22.12490 ?          ?        61.16439 17.30820 ?        ?        ?         ?        
1 1 1 21 32 14 o 83.54745 13.58042 74.31695   22.69220 74.31695   22.69220 ?          ?        83.54745 13.58042 ?        ?        ?         ?        
1 1 1 21 33 0  o 131.8151 16.33547 182.6722   41.98057 182.6722   41.98057 182.6722   41.98057 131.8151 16.33547 131.8151 16.33547 -0.000000 0.000000 
1 1 1 21 33 1  o 264.5157 7.935363 701.7562   41.98057 701.7562   41.98057 ?          ?        264.5157 7.935363 ?        ?        ?         ?        
1 1 1 21 33 2  o 132.7734 9.400005 176.9992   24.96142 176.9992   24.96142 ?          ?        132.7734 9.400005 ?        ?        ?         ?        
1 1 1 21 33 3  o 385.7566 9.706154 1494.281   74.88425 1494.281   74.88425 ?          ?        385.7566 9.706154 ?        ?        ?         ?        
1 1 1 21 33 4  o 169.2751 8.378448 287.6236   28.36525 287.6236   28.36525 ?          ?        169.2751 8.378448 ?        ?        ?         ?        
1 1 1 21 33 5  f 250.1510 7.710690 628.0066   38.57674 628.0066   38.57674 ?          ?        250.1510 7.710690 ?        ?        ?         ?        
1 1 1 21 33 6  o 112.2314 11.37326 127.0763   25.52872 127.0763   25.52872 ?          ?        112.2314 11.37326 ?        ?        ?         ?        
1 1 1 21 33 7  o 43.62311 17.62693 9.076880   23.82681 9.076880   23.82681 ?          ?        43.62311 17.62693 ?        ?        ?         ?        
1 1 1 21 33 8  o 45.57622 17.73835 14.18262   23.25950 14.18262   23.25950 ?          ?        45.57622 17.73835 ?        ?        ?         ?        
1 1 1 21 33 9  o 105.6988 12.34453 114.0283   26.09603 114.0283   26.09603 ?          ?        105.6988 12.34453 ?        ?        ?         ?        
1 1 1 21 33 10 o 58.29099 17.27637 36.30752   21.55759 36.30752   21.55759 ?          ?        58.29099 17.27637 ?        ?        ?         ?        
1 1 1 21 33 11 o 229.4030 7.295238 532.1321   33.47099 532.1321   33.47099 ?          ?        229.4030 7.295238 ?        ?        ?         ?        
1 1 1 21 33 12 o 194.9201 7.858213 385.7674   30.63447 385.7674   30.63447 ?          ?        194.9201 7.858213 ?        ?        ?         ?        
1 1 1 21 33 13 o 89.38239 12.69389 83.96114   22.69220 83.96114   22.69220 ?          ?        89.38239 12.69389 ?        ?        ?         ?        
1 1 1 21 34 0  o 144.0591 13.61494 213.8740   38.57674 213.8740   38.57674 213.8740   38.57674 144.0591 13.61494 144.0591 13.61494 -0.000000 0.000000 
1 1 1 21 34 1  o 97.83900 13.04629 96.44185   25.52872 96.44185   25.52872 ?          ?        97.83900 13.04629 ?        ?        ?         ?        
1 1 1 21 34 2  o 275.6484 7.820684 761.8906   43.11518 761.8906   43.11518 ?          ?        275.6484 7.820684 ?        ?        ?         ?        
1 1 1 21 34 3  o 165.8750 8.892197 276.2775   29.49986 276.2775   29.49986 ?          ?        165.8750 8.892197 ?        ?        ?         ?        
1 1 1 21 34 4  o 109.5489 11.13389 120.8360   24.39412 120.8360   24.39412 ?          ?        109.5489 11.13389 ?        ?        ?         ?        
1 1 1 21 34 5  o 259.4854 7.870569 676.2275   40.84595 676.2275   40.84595 ?          ?        259.4854 7.870569 ?        ?        ?         ?        
1 1 1 21 34 6  f 74.50117 18.05714 58.99971   26.66333 58.99971   26.66333 ?          ?        74.50117 18.05714 ?        ?        ?         ?        
1 1 1 21 34 7  o 101.2467 12.04687 103.8168   24.39412 103.8168   24.39412 ?          ?        101.2467 12.04687 ?        ?        ?         ?        
1 1 1 21 34 8  o 162.7858 8.189701 267.2006   26.66333 267.2006   26.66333 ?          ?        162.7858 8.189701 ?        ?        ?         ?        
1 1 1 21 34 9  o 163.4272 7.810429 269.4698   25.52872 269.4698   25.52872 ?          ?        163.4272 7.810429 ?        ?        ?         ?        
1 1 1 21 34 10 o 58.67808 17.24248 36.87482   21.55759 36.87482   21.55759 ?          ?        58.67808 17.24248 ?        ?        ?         ?        
1 1 1 21 34 11 o 63.29513 18.53940 44.24979   24.96142 44.24979   24.96142 ?          ?        63.29513 18.53940 ?        ?        ?         ?        
1 1 1 21 34 12 o 66.01470 16.03466 48.22092   20.99029 48.22092   20.99029 ?          ?        66.01470 16.03466 ?        ?        ?         ?        
1 1 1 21 34 13 o 65.18847 19.18245 48.78823   26.66333 48.78823   26.66333 ?          ?        65.18847 19.18245 ?        ?        ?         ?        
1 1 1 21 35 0  o 151.0677 12.56045 233.7296   37.44213 233.7296   37.44213 233.7296   37.44213 151.0677 12.56045 151.0677 12.56045 -0.000000 0.000000 
1 1 1 21 35 1  o 187.3493 8.781374 352.2964   32.90369 352.2964   32.90369 ?          ?        187.3493 8.781374 ?        ?        ?         ?        
1 1 1 21 35 2  o 140.1434 9.917682 197.4221   27.79794 197.4221   27.79794 ?          ?        140.1434 9.917682 ?        ?        ?         ?        
1 1 1 21 35 3  o 272.8584 8.004605 747.1406   43.68248 747.1406   43.68248 ?          ?        272.8584 8.004605 ?        ?        ?         ?        
1 1 1 21 35 4  o 92.21307 14.76507 86.23035   27.23064 86.23035   27.23064 ?          ?        92.21307 14.76507 ?        ?        ?         ?        
1 1 1 21 35 5  o 128.6933 10.13884 166.7877   26.09603 166.7877   26.09603 ?          ?        128.6933 10.13884 ?        ?        ?         ?        
1 1 1 21 35 6  o 84.64337 15.99843 75.45156   26.09603 75.45156   26.09603 ?          ?        84.64337 15.99843 ?        ?        ?         ?        
1 1 1 21 35 7  o 45.12139 17.70197 13.04801   23.25950 13.04801   23.25950 ?          ?        45.12139 17.70197 ?        ?        ?         ?        
1 1 1 21 35 8  o 255.2561 7.778726 656.3718   39.71135 656.3718   39.71135 ?          ?        255.2561 7.778726 ?        ?        ?         ?        
1 1 1 21 35 9  o 77.28252 15.95951 64.10546   23.82681 64.10546   23.82681 ?          ?        77.28252 15.95951 ?        ?        ?         ?        
1 1 1 21 35 10 o 91.73194 12.05954 86.23035   22.12490 86.23035   22.12490 ?          ?        91.73194 12.05954 ?        ?        ?         ?        
1 1 1 21 35 11 o 94.76373 12.57169 93.03801   23.82681 93.03801   23.82681 ?          ?        94.76373 12.57169 ?        ?        ?         ?        
1 1 1 21 35 12 o 173.3842 7.852685 305.7773   27.23064 305.7773   27.23064 ?          ?        173.3842 7.852685 ?        ?        ?         ?        
1 1 1 21 35 13 o 36.01665 16.10073 -6.240355  23.82681 -6.240355  23.82681 ?          ?        36.01665 16.10073 ?        ?        ?         ?        
1 1 1 21 36 0  o 105.3823 22.71926 126.5090   41.98057 126.5090   41.98057 126.5090   41.98057 105.3823 22.71926 105.3823 22.71926 -0.000000 0.000000 
1 1 1 21 36 1  f 283.6052 8.201367 807.2750   46.51900 807.2750   46.51900 ?          ?        283.6052 8.201367 ?        ?        ?         ?        
1 1 1 21 36 2  o 49.52172 18.60123 18.72106   24.96142 18.72106   24.96142 ?          ?        49.52172 18.60123 ?        ?        ?         ?        
1 1 1 21 36 3  o 199.3120 7.969687 398.8154   31.76908 398.8154   31.76908 ?          ?        199.3120 7.969687 ?        ?        ?         ?        
1 1 1 21 36 4  o 326.0819 8.611822 1068.802   56.16319 1068.802   56.16319 ?          ?        326.0819 8.611822 ?        ?        ?         ?        
1 1 1 21 36 5  o 166.6758 8.168747 279.1140   27.23064 279.1140   27.23064 ?          ?        166.6758 8.168747 ?        ?        ?         ?        
1 1 1 21 36 6  o 192.5372 7.808146 372.7193   30.06716 372.7193   30.06716 ?          ?        192.5372 7.808146 ?        ?        ?         ?        
1 1 1 21 36 7  o 143.8553 9.661770 209.3355   27.79794 209.3355   27.79794 ?          ?        143.8553 9.661770 ?        ?        ?         ?        
1 1 1 21 36 8  f 137.9551 8.841325 192.3164   24.39412 192.3164   24.39412 ?          ?        137.9551 8.841325 ?        ?        ?         ?        
1 1 1 21 36 9  o 154.0513 8.285786 239.9700   25.52872 239.9700   25.52872 ?          ?        154.0513 8.285786 ?        ?        ?         ?        
1 1 1 21 36 10 o 38.41761 16.36659 1.701915   22.12490 1.701915   22.12490 ?          ?        38.41761 16.36659 ?        ?        ?         ?        
1 1 1 21 36 11 o 173.9275 8.317419 308.0466   28.93255 308.0466   28.93255 ?          ?        173.9275 8.317419 ?        ?        ?         ?        
1 1 1 21 36 12 o 55.53707 17.95148 33.47099   22.69220 33.47099   22.69220 ?          ?        55.53707 17.95148 ?        ?        ?         ?        
1 1 1 21 36 13 o 133.2820 10.00260 183.8068   26.66333 183.8068   26.66333 ?          ?        133.2820 10.00260 ?        ?        ?         ?        
1 1 1 21 37 0  o 223.2492 11.62890 504.3341   51.62476 504.3341   51.62476 504.3341   51.62476 223.2492 11.62890 223.2492 11.62890 -0.000000 0.000000 
1 1 1 21 37 1  o 113.5263 11.74324 129.9128   26.66333 129.9128   26.66333 ?          ?        113.5263 11.74324 ?        ?        ?         ?        
1 1 1 21 37 2  o 235.6887 7.822783 557.6608   36.87482 557.6608   36.87482 ?          ?        235.6887 7.822783 ?        ?        ?         ?        
1 1 1 21 37 3  o 116.6826 10.93939 137.2878   25.52872 137.2878   25.52872 ?          ?        116.6826 10.93939 ?        ?        ?         ?        
1 1 1 21 37 4  o 180.3398 8.336252 326.7676   30.06716 326.7676   30.06716 ?          ?        180.3398 8.336252 ?        ?        ?         ?        
1 1 1 21 37 5  f 71.86959 17.17938 55.02858   24.39412 55.02858   24.39412 ?          ?        71.86959 17.17938 ?        ?        ?         ?        
1 1 1 21 37 6  o 132.4328 9.852556 176.9992   26.09603 176.9992   26.09603 ?          ?        132.4328 9.852556 ?        ?        ?         ?        
1 1 1 21 37 7  o 144.7147 9.212378 211.6048   26.66333 211.6048   26.66333 ?          ?        144.7147 9.212378 ?        ?        ?         ?        
1 1 1 21 37 8  o 187.6022 7.862345 355.1329   29.49986 355.1329   29.49986 ?          ?        187.6022 7.862345 ?        ?        ?         ?        
1 1 1 21 37 9  o 54.09341 18.18201 29.49986   23.25950 29.49986   23.25950 ?          ?        54.09341 18.18201 ?        ?        ?         ?        
1 1 1 21 37 10 o 109.6774 10.34498 123.1052   22.69220 123.1052   22.69220 ?          ?        109.6774 10.34498 ?        ?        ?         ?        
1 1 1 21 37 11 o 51.38398 18.51852 25.52872   24.39412 25.52872   24.39412 ?          ?        51.38398 18.51852 ?        ?        ?         ?        
1 1 1 21 37 12 o 23.98358 11.95976 -57.86510  23.25950 -57.86510  23.25950 ?          ?        23.98358 11.95976 ?        ?        ?         ?        
1 1 1 21 37 13 o 37.52133 16.48984 -1.701915  23.82681 -1.701915  23.82681 ?          ?        37.52133 16.48984 ?        ?        ?         ?        
1 1 1 21 38 0  o 32.01054 21.26430 -5.673049  34.60560 -5.673049  34.60560 -5.673049  34.60560 32.01054 21.26430 32.01054 21.26430 -0.000000 0.000000 
1 1 1 21 38 1  o 52.22086 18.74127 23.82681   24.96142 23.82681   24.96142 ?          ?        52.22086 18.74127 ?        ?        ?         ?        
1 1 1 21 38 2  o 142.6350 9.744433 204.7971   27.79794 204.7971   27.79794 ?          ?        142.6350 9.744433 ?        ?        ?         ?        
1 1 1 21 38 3  o 209.2456 8.946934 440.2286   37.44213 440.2286   37.44213 ?          ?        209.2456 8.946934 ?        ?        ?         ?        
1 1 1 21 38 4  o 121.6567 10.25896 149.2012   24.96142 149.2012   24.96142 ?          ?        121.6567 10.25896 ?        ?        ?         ?        
1 1 1 21 38 5  o 262.7311 8.205192 694.3813   43.11518 694.3813   43.11518 ?          ?        262.7311 8.205192 ?        ?        ?         ?        
1 1 1 21 38 6  o 165.0210 8.250657 274.5756   27.23064 274.5756   27.23064 ?          ?        165.0210 8.250657 ?        ?        ?         ?        
1 1 1 21 38 7  o 172.8619 8.040508 301.2389   27.79794 301.2389   27.79794 ?          ?        172.8619 8.040508 ?        ?        ?         ?        
1 1 1 21 38 8  o 119.0501 10.48358 144.0954   24.96142 144.0954   24.96142 ?          ?        119.0501 10.48358 ?        ?        ?         ?        
1 1 1 21 38 9  o 47.75241 17.59391 19.85567   22.12490 19.85567   22.12490 ?          ?        47.75241 17.59391 ?        ?        ?         ?        
1 1 1 21 38 10 o 100.8753 11.81004 104.9514   23.82681 104.9514   23.82681 ?          ?        100.8753 11.81004 ?        ?        ?         ?        
1 1 1 21 38 11 o 38.19667 16.53717 0.000000   23.25950 0.000000   23.25950 ?          ?        38.19667 16.53717 ?        ?        ?         ?        
1 1 1 21 38 12 f 31.64945 14.43630 -10.77879  20.42298 -10.77879  20.42298 ?          ?        31.64945 14.43630 ?        ?        ?         ?        
1 1 1 21 39 0  o 235.1001 11.15363 558.7954   52.19205 558.7954   52.19205 558.7954   52.19205 235.1001 11.15363 235.1001 11.15363 -0.000000 0.000000 
1 1 1 21 39 1  o 79.34880 16.28869 66.37468   24.96142 66.37468   24.96142 ?          ?        79.34880 16.28869 ?        ?        ?         ?        
1 1 1 21 39 2  o 149.1157 8.750262 223.5181   26.09603 223.5181   26.09603 ?          ?        149.1157 8.750262 ?        ?        ?         ?        
1 1 1 21 39 3  o 149.0177 11.04019 224.0854   32.90369 224.0854   32.90369 ?          ?        149.0177 11.04019 ?        ?        ?         ?        
1 1 1 21 39 4  o 151.6752 8.228578 231.4604   24.96142 231.4604   24.96142 ?          ?        151.6752 8.228578 ?        ?        ?         ?        
1 1 1 21 39 5  o 164.2565 8.461749 271.7391   27.79794 271.7391   27.79794 ?          ?        164.2565 8.461749 ?        ?        ?         ?        
1 1 1 21 39 6  o 61.87627 17.53481 40.84595   22.69220 40.84595   22.69220 ?          ?        61.87627 17.53481 ?        ?        ?         ?        
1 1 1 21 39 7  o 39.85167 16.38624 6.240355   20.99029 6.240355   20.99029 ?          ?        39.85167 16.38624 ?        ?        ?         ?        
1 1 1 21 39 8  o 55.55051 18.18202 31.76908   23.25950 31.76908   23.25950 ?          ?        55.55051 18.18202 ?        ?        ?         ?        
1 1 1 21 39 9  o 42.62131 17.61396 7.374964   24.39412 7.374964   24.39412 ?          ?        42.62131 17.61396 ?        ?        ?         ?        
1 1 1 21 39 10 o 157.0791 9.209551 251.8834   28.93255 251.8834   28.93255 ?          ?        157.0791 9.209551 ?        ?        ?         ?        
1 1 1 21 39 11 o 77.35346 14.83015 65.24007   22.12490 65.24007   22.12490 ?          ?        77.35346 14.83015 ?        ?        ?         ?        
1 1 1 21 39 12 o 107.2132 11.37645 119.7014   24.39412 119.7014   24.39412 ?          ?        107.2132 11.37645 ?        ?        ?         ?        
1 1 1 21 40 0  o 32.04623 21.21253 -4.538440  34.03830 -4.538440  34.03830 -4.538440  34.03830 32.04623 21.21253 32.04623 21.21253 -0.000000 0.000000 
1 1 1 21 40 1  o 143.2404 9.505220 206.4990   27.23064 206.4990   27.23064 ?          ?        143.2404 9.505220 ?        ?        ?         ?        
1 1 1 21 40 2  o 88.10823 14.16520 78.85539   24.96142 78.85539   24.96142 ?          ?        88.10823 14.16520 ?        ?        ?         ?        
1 1 1 21 40 3  o 251.8513 7.658632 637.6508   38.57674 637.6508   38.57674 ?          ?        251.8513 7.658632 ?        ?        ?         ?        
1 1 1 21 40 4  o 162.9269 8.530801 267.2006   27.79794 267.2006   27.79794 ?          ?        162.9269 8.530801 ?        ?        ?         ?        
1 1 1 21 40 5  o 70.44703 16.73439 53.32666   23.25950 53.32666   23.25950 ?          ?        70.44703 16.73439 ?        ?        ?         ?        
1 1 1 21 40 6  o 87.79790 13.56912 78.85539   23.82681 78.85539   23.82681 ?          ?        87.79790 13.56912 ?        ?        ?         ?        
1 1 1 21 40 7  o 103.5290 12.05528 109.4899   24.96142 109.4899   24.96142 ?          ?        103.5290 12.05528 ?        ?        ?         ?        
1 1 1 21 40 8  o 297.0309 7.830667 891.2361   46.51900 891.2361   46.51900 ?          ?        297.0309 7.830667 ?        ?        ?         ?        
1 1 1 21 40 9  o 86.48117 13.44773 77.72078   23.25950 77.72078   23.25950 ?          ?        86.48117 13.44773 ?        ?        ?         ?        
1 1 1 21 40 10 f 51.29997 20.12636 20.99029   30.06716 20.99029   30.06716 ?          ?        51.29997 20.12636 ?        ?        ?         ?        
1 1 1 21 40 11 o 38.73887 16.65069 1.701915   23.25950 1.701915   23.25950 ?          ?        38.73887 16.65069 ?        ?        ?         ?        
1 1 1 21 40 12 o 104.0320 11.17902 112.8937   23.25950 112.8937   23.25950 ?          ?        104.0320 11.17902 ?        ?        ?         ?        
1 1 1 21 41 0  o 64.43059 28.35994 61.26894   38.00943 61.26894   38.00943 61.26894   38.00943 64.43059 28.35994 64.43059 28.35994 -0.000000 0.000000 
1 1 1 21 41 1  o 127.8441 10.64994 165.0858   27.23064 165.0858   27.23064 ?          ?        127.8441 10.64994 ?        ?        ?         ?        
1 1 1 21 41 2  o 216.6350 7.987077 471.9977   34.60560 471.9977   34.60560 ?          ?        216.6350 7.987077 ?        ?        ?         ?        
1 1 1 21 41 3  o 37.62645 16.51321 -5.105744  23.82681 -5.105744  23.82681 ?          ?        37.62645 16.51321 ?        ?        ?         ?        
1 1 1 21 41 4  o 93.17194 12.78647 88.49958   23.82681 88.49958   23.82681 ?          ?        93.17194 12.78647 ?        ?        ?         ?        
1 1 1 21 41 5  o 106.1974 11.48527 114.5956   24.39412 114.5956   24.39412 ?          ?        106.1974 11.48527 ?        ?        ?         ?        
1 1 1 21 41 6  o 156.3527 9.070915 247.3450   28.36525 247.3450   28.36525 ?          ?        156.3527 9.070915 ?        ?        ?         ?        
1 1 1 21 41 7  o 158.3417 8.419557 253.5853   26.66333 253.5853   26.66333 ?          ?        158.3417 8.419557 ?        ?        ?         ?        
1 1 1 21 41 8  o 148.3339 8.796381 222.9509   26.09603 222.9509   26.09603 ?          ?        148.3339 8.796381 ?        ?        ?         ?        
1 1 1 21 41 9  o 77.66216 16.90652 66.37468   25.52872 66.37468   25.52872 ?          ?        77.66216 16.90652 ?        ?        ?         ?        
1 1 1 21 41 10 o 157.0843 10.47326 253.5853   32.90369 253.5853   32.90369 ?          ?        157.0843 10.47326 ?        ?        ?         ?        
1 1 1 21 41 11 o 62.81033 18.02213 44.81709   23.82681 44.81709   23.82681 ?          ?        62.81033 18.02213 ?        ?        ?         ?        
1 1 1 21 41 12 o 53.74012 18.98623 30.63447   25.52872 30.63447   25.52872 ?          ?        53.74012 18.98623 ?        ?        ?         ?        
1 1 1 21 42 0  o 123.5870 13.59909 159.4127   32.90369 159.4127   32.90369 159.4127   32.90369 123.5870 13.59909 123.5870 13.59909 -0.000000 0.000000 
1 1 1 21 42 1  o 60.90644 18.44460 38.57674   24.39412 38.57674   24.39412 ?          ?        60.90644 18.44460 ?        ?        ?         ?        
1 1 1 21 42 2  o 42.02858 17.39083 5.673049   23.82681 5.673049   23.82681 ?          ?        42.02858 17.39083 ?        ?        ?         ?        
1 1 1 21 42 3  f 165.6723 8.560649 276.8448   28.36525 276.8448   28.36525 ?          ?        165.6723 8.560649 ?        ?        ?         ?        
1 1 1 21 42 4  o 203.8241 7.932425 418.6711   32.33638 418.6711   32.33638 ?          ?        203.8241 7.932425 ?        ?        ?         ?        
1 1 1 21 42 5  o 130.5124 9.780193 172.4607   25.52872 172.4607   25.52872 ?          ?        130.5124 9.780193 ?        ?        ?         ?        
1 1 1 21 42 6  o 142.0225 9.187284 204.2298   26.09603 204.2298   26.09603 ?          ?        142.0225 9.187284 ?        ?        ?         ?        
1 1 1 21 42 7  o 36.66284 16.00252 -2.836525  22.12490 -2.836525  22.12490 ?          ?        36.66284 16.00252 ?        ?        ?         ?        
1 1 1 21 42 8  o 238.2345 8.929831 576.3818   42.54787 576.3818   42.54787 ?          ?        238.2345 8.929831 ?        ?        ?         ?        
1 1 1 21 42 9  o 52.82180 17.27233 29.49986   20.99029 29.49986   20.99029 ?          ?        52.82180 17.27233 ?        ?        ?         ?        
1 1 1 21 42 10 o 125.2114 9.967710 161.1146   24.96142 161.1146   24.96142 ?          ?        125.2114 9.967710 ?        ?        ?         ?        
1 1 1 21 42 11 o 124.4552 9.572441 159.4127   23.82681 159.4127   23.82681 ?          ?        124.4552 9.572441 ?        ?        ?         ?        
1 1 1 21 43 0  o 44.92652 26.87084 24.39412   41.98057 24.39412   41.98057 24.39412   41.98057 44.92652 26.87084 44.92652 26.87084 -0.000000 0.000000 
1 1 1 21 43 1  o 59.44097 18.27506 36.87482   23.82681 36.87482   23.82681 ?          ?        59.44097 18.27506 ?        ?        ?         ?        
1 1 1 21 43 2  o 190.0267 8.359108 364.2098   31.76908 364.2098   31.76908 ?          ?        190.0267 8.359108 ?        ?        ?         ?        
1 1 1 21 43 3  o 226.7705 7.630093 517.9495   34.60560 517.9495   34.60560 ?          ?        226.7705 7.630093 ?        ?        ?         ?        
1 1 1 21 43 4  o 127.1734 10.48306 163.9511   26.66333 163.9511   26.66333 ?          ?        127.1734 10.48306 ?        ?        ?         ?        
1 1 1 21 43 5  o 125.9020 10.58892 161.1146   26.66333 161.1146   26.66333 ?          ?        125.9020 10.58892 ?        ?        ?         ?        
1 1 1 21 43 6  o 39.73724 16.73559 3.403830   22.69220 3.403830   22.69220 ?          ?        39.73724 16.73559 ?        ?        ?         ?        
1 1 1 21 43 7  o 200.4412 8.066300 406.1903   32.33638 406.1903   32.33638 ?          ?        200.4412 8.066300 ?        ?        ?         ?        
1 1 1 21 43 8  o 82.21564 18.70199 75.45156   30.06716 75.45156   30.06716 ?          ?        82.21564 18.70199 ?        ?        ?         ?        
1 1 1 21 43 9  o 72.95128 15.61694 58.43241   22.12490 58.43241   22.12490 ?          ?        72.95128 15.61694 ?        ?        ?         ?        
1 1 1 21 43 10 o 44.59514 18.03265 12.48071   24.96142 12.48071   24.96142 ?          ?        44.59514 18.03265 ?        ?        ?         ?        
1 1 1 21 43 11 o 81.76639 13.52933 70.91312   22.12490 70.91312   22.12490 ?          ?        81.76639 13.52933 ?        ?        ?         ?        
1 1 1 21 44 0  o 42.49132 24.84927 23.82681   34.60560 23.82681   34.60560 23.82681   34.60560 42.49132 24.84927 42.49132 24.84927 -0.000000 0.000000 
1 1 1 21 44 1  o 188.0686 8.446140 356.8348   31.76908 356.8348   31.76908 ?          ?        188.0686 8.446140 ?        ?        ?         ?        
1 1 1 21 44 2  o 132.8636 10.03410 178.7011   26.66333 178.7011   26.66333 ?          ?        132.8636 10.03410 ?        ?        ?         ?        
1 1 1 21 44 3  o 168.1485 8.603275 285.3544   28.93255 285.3544   28.93255 ?          ?        168.1485 8.603275 ?        ?        ?         ?        
1 1 1 21 44 4  o 167.4848 8.806728 283.6525   29.49986 283.6525   29.49986 ?          ?        167.4848 8.806728 ?        ?        ?         ?        
1 1 1 21 44 5  o 50.72886 18.10250 23.82681   23.25950 23.82681   23.25950 ?          ?        50.72886 18.10250 ?        ?        ?         ?        
1 1 1 21 44 6  o 153.7316 8.856554 239.4027   27.23064 239.4027   27.23064 ?          ?        153.7316 8.856554 ?        ?        ?         ?        
1 1 1 21 44 7  o 209.1347 7.866627 442.4978   32.90369 442.4978   32.90369 ?          ?        209.1347 7.866627 ?        ?        ?         ?        
1 1 1 21 44 8  o 98.56703 12.08660 100.4130   23.82681 100.4130   23.82681 ?          ?        98.56703 12.08660 ?        ?        ?         ?        
1 1 1 21 44 9  o 49.44374 17.65430 23.82681   22.12490 23.82681   22.12490 ?          ?        49.44374 17.65430 ?        ?        ?         ?        
1 1 1 21 44 10 o 138.0068 9.865686 196.2875   27.23064 196.2875   27.23064 ?          ?        138.0068 9.865686 ?        ?        ?         ?        
1 1 1 21 44 11 o 38.68282 16.53025 3.403830   22.69220 3.403830   22.69220 ?          ?        38.68282 16.53025 ?        ?        ?         ?        
1 1 1 21 45 0  o 65.62563 27.12632 62.40355   35.17290 62.40355   35.17290 62.40355   35.17290 65.62563 27.12632 65.62563 27.12632 -0.000000 0.000000 
1 1 1 21 45 1  o 182.2827 8.558619 335.2772   31.20177 335.2772   31.20177 ?          ?        182.2827 8.558619 ?        ?        ?         ?        
1 1 1 21 45 2  o 162.3712 8.385305 266.0660   27.23064 266.0660   27.23064 ?          ?        162.3712 8.385305 ?        ?        ?         ?        
1 1 1 21 45 3  o 34.08015 15.84542 -21.55759  26.09603 -21.55759  26.09603 ?          ?        34.08015 15.84542 ?        ?        ?         ?        
1 1 1 21 45 4  o 91.96145 13.26323 86.79766   24.39412 86.79766   24.39412 ?          ?        91.96145 13.26323 ?        ?        ?         ?        
1 1 1 21 45 5  o 218.5368 7.657975 482.2092   33.47099 482.2092   33.47099 ?          ?        218.5368 7.657975 ?        ?        ?         ?        
1 1 1 21 45 6  o 227.3317 7.611257 521.9205   34.60560 521.9205   34.60560 ?          ?        227.3317 7.611257 ?        ?        ?         ?        
1 1 1 21 45 7  o 30.08041 14.35084 -28.36525  23.82681 -28.36525  23.82681 ?          ?        30.08041 14.35084 ?        ?        ?         ?        
1 1 1 21 45 8  o 235.8516 7.937644 565.6030   37.44213 565.6030   37.44213 ?          ?        235.8516 7.937644 ?        ?        ?         ?        
1 1 1 21 45 9  f 44.17305 17.43676 14.18262   22.69220 14.18262   22.69220 ?          ?        44.17305 17.43676 ?        ?        ?         ?        
1 1 1 21 45 10 o 38.34482 16.56836 1.134610   23.25950 1.134610   23.25950 ?          ?        38.34482 16.56836 ?        ?        ?         ?        
1 1 1 21 46 0  o 40.96158 23.99143 22.12490   32.33638 22.12490   32.33638 22.12490   32.33638 40.96158 23.99143 40.96158 23.99143 -0.000000 0.000000 
1 1 1 21 46 1  o 35.40998 16.10002 -13.61532  24.96142 -13.61532  24.96142 ?          ?        35.40998 16.10002 ?        ?        ?         ?        
1 1 1 21 46 2  o 108.3594 11.51788 119.7014   24.96142 119.7014   24.96142 ?          ?        108.3594 11.51788 ?        ?        ?         ?        
1 1 1 21 46 3  o 80.76289 14.58243 69.21120   22.69220 69.21120   22.69220 ?          ?        80.76289 14.58243 ?        ?        ?         ?        
1 1 1 21 46 4  o 181.8163 8.112542 334.1426   29.49986 334.1426   29.49986 ?          ?        181.8163 8.112542 ?        ?        ?         ?        
1 1 1 21 46 5  o 52.55724 18.94399 25.52872   25.52872 25.52872   25.52872 ?          ?        52.55724 18.94399 ?        ?        ?         ?        
1 1 1 21 46 6  o 222.6133 8.154841 502.0649   36.30752 502.0649   36.30752 ?          ?        222.6133 8.154841 ?        ?        ?         ?        
1 1 1 21 46 7  o 56.09287 18.17879 33.47099   23.25950 33.47099   23.25950 ?          ?        56.09287 18.17879 ?        ?        ?         ?        
1 1 1 21 46 8  o 92.20245 13.84384 89.06688   25.52872 89.06688   25.52872 ?          ?        92.20245 13.84384 ?        ?        ?         ?        
1 1 1 21 46 9  o 42.17260 17.27953 9.644185   23.25950 9.644185   23.25950 ?          ?        42.17260 17.27953 ?        ?        ?         ?        
1 1 1 21 46 10 o 155.5324 8.206882 247.3450   25.52872 247.3450   25.52872 ?          ?        155.5324 8.206882 ?        ?        ?         ?        
1 1 1 21 47 0  o 36.68875 22.91931 11.34610   33.47099 11.34610   33.47099 11.34610   33.47099 36.68875 22.91931 36.68875 22.91931 -0.000000 0.000000 
1 1 1 21 47 1  o 38.60612 16.82735 -2.836525  24.39412 -2.836525  24.39412 ?          ?        38.60612 16.82735 ?        ?        ?         ?        
1 1 1 21 47 2  o 34.60159 15.66765 -11.34610  23.25950 -11.34610  23.25950 ?          ?        34.60159 15.66765 ?        ?        ?         ?        
1 1 1 21 47 3  o 135.9608 9.805521 187.7779   26.66333 187.7779   26.66333 ?          ?        135.9608 9.805521 ?        ?        ?         ?        
1 1 1 21 47 4  o 175.0457 8.102241 309.7485   28.36525 309.7485   28.36525 ?          ?        175.0457 8.102241 ?        ?        ?         ?        
1 1 1 21 47 5  o 95.21127 13.40636 93.60532   25.52872 93.60532   25.52872 ?          ?        95.21127 13.40636 ?        ?        ?         ?        
1 1 1 21 47 6  o 112.1625 11.12734 129.3455   24.96142 129.3455   24.96142 ?          ?        112.1625 11.12734 ?        ?        ?         ?        
1 1 1 21 47 7  o 113.8980 10.95779 133.8840   24.96142 133.8840   24.96142 ?          ?        113.8980 10.95779 ?        ?        ?         ?        
1 1 1 21 47 8  o 44.49024 17.62444 14.18262   23.25950 14.18262   23.25950 ?          ?        44.49024 17.62444 ?        ?        ?         ?        
1 1 1 21 47 9  f 61.98767 18.63500 43.68248   24.96142 43.68248   24.96142 ?          ?        61.98767 18.63500 ?        ?        ?         ?        
1 1 1 21 47 10 o 138.5674 9.416367 197.9895   26.09603 197.9895   26.09603 ?          ?        138.5674 9.416367 ?        ?        ?         ?        
1 1 1 21 48 0  o 402.2574 13.99910 1649.723   112.3264 1649.723   112.3264 1649.723   112.3264 402.2574 13.99910 402.2574 13.99910 -0.000000 0.000000 
1 1 1 21 48 1  o 44.77245 17.80591 12.48071   23.82681 12.48071   23.82681 ?          ?        44.77245 17.80591 ?        ?        ?         ?        
1 1 1 21 48 2  o 184.0069 9.095037 343.2195   33.47099 343.2195   33.47099 ?          ?        184.0069 9.095037 ?        ?        ?         ?        
1 1 1 21 48 3  o 149.6696 9.665473 227.4893   28.93255 227.4893   28.93255 ?          ?        149.6696 9.665473 ?        ?        ?         ?        
1 1 1 21 48 4  o 88.77395 14.37850 81.69191   25.52872 81.69191   25.52872 ?          ?        88.77395 14.37850 ?        ?        ?         ?        
1 1 1 21 48 5  o 181.0610 8.459709 333.0080   30.63447 333.0080   30.63447 ?          ?        181.0610 8.459709 ?        ?        ?         ?        
1 1 1 21 48 6  o 96.16243 12.38883 95.87454   23.82681 95.87454   23.82681 ?          ?        96.16243 12.38883 ?        ?        ?         ?        
1 1 1 21 48 7  o 60.02288 17.97725 39.71135   23.25950 39.71135   23.25950 ?          ?        60.02288 17.97725 ?        ?        ?         ?        
1 1 1 21 48 8  o 183.5738 8.034877 343.2195   29.49986 343.2195   29.49986 ?          ?        183.5738 8.034877 ?        ?        ?         ?        
1 1 1 21 48 9  o 55.47046 18.62019 33.47099   24.39412 33.47099   24.39412 ?          ?        55.47046 18.62019 ?        ?        ?         ?        
1 1 1 21 49 0  o 196.1123 11.80436 393.1424   45.95170 393.1424   45.95170 393.1424   45.95170 196.1123 11.80436 196.1123 11.80436 -0.000000 0.000000 
1 1 1 21 49 1  o 42.05746 17.73358 3.971134   25.52872 3.971134   25.52872 ?          ?        42.05746 17.73358 ?        ?        ?         ?        
1 1 1 21 49 2  o 172.3324 9.217381 301.2389   31.76908 301.2389   31.76908 ?          ?        172.3324 9.217381 ?        ?        ?         ?        
1 1 1 21 49 3  o 76.52802 16.41194 63.53815   24.39412 63.53815   24.39412 ?          ?        76.52802 16.41194 ?        ?        ?         ?        
1 1 1 21 49 4  o 40.10858 16.92019 3.971134   23.25950 3.971134   23.25950 ?          ?        40.10858 16.92019 ?        ?        ?         ?        
1 1 1 21 49 5  o 75.47466 16.24965 62.40355   23.82681 62.40355   23.82681 ?          ?        75.47466 16.24965 ?        ?        ?         ?        
1 1 1 21 49 6  o 150.2488 8.873060 230.3258   26.66333 230.3258   26.66333 ?          ?        150.2488 8.873060 ?        ?        ?         ?        
1 1 1 21 49 7  o 34.37101 15.65488 -11.91340  23.82681 -11.91340  23.82681 ?          ?        34.37101 15.65488 ?        ?        ?         ?        
1 1 1 21 49 8  o 66.22640 19.35282 50.49014   27.23064 50.49014   27.23064 ?          ?        66.22640 19.35282 ?        ?        ?         ?        
1 1 1 21 49 9  o 51.50154 18.52271 27.23064   24.39412 27.23064   24.39412 ?          ?        51.50154 18.52271 ?        ?        ?         ?        
1 1 1 21 50 0  o 209.4603 11.03377 447.0363   45.95170 447.0363   45.95170 447.0363   45.95170 209.4603 11.03377 209.4603 11.03377 -0.000000 0.000000 
1 1 1 21 50 1  o 40.06848 16.91256 3.403830   23.25950 3.403830   23.25950 ?          ?        40.06848 16.91256 ?        ?        ?         ?        
1 1 1 21 50 2  o 127.3180 9.802785 165.0858   24.96142 165.0858   24.96142 ?          ?        127.3180 9.802785 ?        ?        ?         ?        
1 1 1 21 50 3  o 60.35696 18.47806 39.71135   24.39412 39.71135   24.39412 ?          ?        60.35696 18.47806 ?        ?        ?         ?        
1 1 1 21 50 4  o 140.6197 9.077222 201.3933   25.52872 201.3933   25.52872 ?          ?        140.6197 9.077222 ?        ?        ?         ?        
1 1 1 21 50 5  o 172.2339 8.069822 301.8062   27.79794 301.8062   27.79794 ?          ?        172.2339 8.069822 ?        ?        ?         ?        
1 1 1 21 50 6  o 287.9920 8.371922 844.7171   48.22092 844.7171   48.22092 ?          ?        287.9920 8.371922 ?        ?        ?         ?        
1 1 1 21 50 7  o 146.3206 8.335843 218.4124   24.39412 218.4124   24.39412 ?          ?        146.3206 8.335843 ?        ?        ?         ?        
1 1 1 21 50 8  o 77.58015 15.90375 66.94199   23.82681 66.94199   23.82681 ?          ?        77.58015 15.90375 ?        ?        ?         ?        
1 1 1 21 50 9  o 63.11388 19.31765 45.95170   26.66333 45.95170   26.66333 ?          ?        63.11388 19.31765 ?        ?        ?         ?        
1 1 1 21 51 0  o 25.02785 18.03708 -52.75936  39.71135 -52.75936  39.71135 -52.75936  39.71135 25.02785 18.03708 25.02785 18.03708 -0.000000 0.000000 
1 1 1 21 51 1  o 91.65891 14.54487 87.93227   26.66333 87.93227   26.66333 ?          ?        91.65891 14.54487 ?        ?        ?         ?        
1 1 1 21 51 2  o 106.8303 12.21378 117.9994   26.09603 117.9994   26.09603 ?          ?        106.8303 12.21378 ?        ?        ?         ?        
1 1 1 21 51 3  o 190.9889 8.316996 370.4502   31.76908 370.4502   31.76908 ?          ?        190.9889 8.316996 ?        ?        ?         ?        
1 1 1 21 51 4  o 90.28171 14.76674 86.23035   26.66333 86.23035   26.66333 ?          ?        90.28171 14.76674 ?        ?        ?         ?        
1 1 1 21 51 5  o 128.6745 10.58121 170.1915   27.23064 170.1915   27.23064 ?          ?        128.6745 10.58121 ?        ?        ?         ?        
1 1 1 21 51 6  o 33.64768 15.51932 -15.88454  24.39412 -15.88454  24.39412 ?          ?        33.64768 15.51932 ?        ?        ?         ?        
1 1 1 21 51 7  o 94.74609 13.17280 94.73994   24.96142 94.73994   24.96142 ?          ?        94.74609 13.17280 ?        ?        ?         ?        
1 1 1 21 51 8  o 160.2483 9.204422 264.3641   29.49986 264.3641   29.49986 ?          ?        160.2483 9.204422 ?        ?        ?         ?        
1 1 1 21 52 0  o 120.7736 16.11787 153.1723   38.57674 153.1723   38.57674 153.1723   38.57674 120.7736 16.11787 120.7736 16.11787 -0.000000 0.000000 
1 1 1 21 52 1  o 100.3515 12.71965 104.3841   25.52872 104.3841   25.52872 ?          ?        100.3515 12.71965 ?        ?        ?         ?        
1 1 1 21 52 2  o 81.44108 16.24854 72.61504   25.52872 72.61504   25.52872 ?          ?        81.44108 16.24854 ?        ?        ?         ?        
1 1 1 21 52 3  o 44.62510 18.29672 10.77879   26.09603 10.77879   26.09603 ?          ?        44.62510 18.29672 ?        ?        ?         ?        
1 1 1 21 52 4  o 88.67156 15.93418 85.66305   27.23064 85.66305   27.23064 ?          ?        88.67156 15.93418 ?        ?        ?         ?        
1 1 1 21 52 5  o 50.09916 18.64405 23.25950   24.96142 23.25950   24.96142 ?          ?        50.09916 18.64405 ?        ?        ?         ?        
1 1 1 21 52 6  o 143.6568 9.082771 211.6048   26.09603 211.6048   26.09603 ?          ?        143.6568 9.082771 ?        ?        ?         ?        
1 1 1 21 52 7  o 42.85563 18.92169 -2.269220  31.76908 -2.269220  31.76908 ?          ?        42.85563 18.92169 ?        ?        ?         ?        
1 1 1 21 52 8  o 38.16916 16.82275 -2.269220  24.96142 -2.269220  24.96142 ?          ?        38.16916 16.82275 ?        ?        ?         ?        
1 1 1 21 53 0  o 130.4787 14.43806 180.9703   36.87482 180.9703   36.87482 180.9703   36.87482 130.4787 14.43806 130.4787 14.43806 -0.000000 0.000000 
1 1 1 21 53 1  o 103.3572 13.17307 111.7591   27.23064 111.7591   27.23064 ?          ?        103.3572 13.17307 ?        ?        ?         ?        
1 1 1 21 53 2  o 83.09975 16.63036 76.01886   26.66333 76.01886   26.66333 ?          ?        83.09975 16.63036 ?        ?        ?         ?        
1 1 1 21 53 3  o 72.37052 17.42798 58.43241   24.96142 58.43241   24.96142 ?          ?        72.37052 17.42798 ?        ?        ?         ?        
1 1 1 21 53 4  o 37.51730 16.64166 -5.105744  24.96142 -5.105744  24.96142 ?          ?        37.51730 16.64166 ?        ?        ?         ?        
1 1 1 21 53 5  o 68.02893 18.63682 52.75936   26.09603 52.75936   26.09603 ?          ?        68.02893 18.63682 ?        ?        ?         ?        
1 1 1 21 53 6  o 111.0620 11.74841 128.7782   26.09603 128.7782   26.09603 ?          ?        111.0620 11.74841 ?        ?        ?         ?        
1 1 1 21 53 7  o 78.35124 20.16048 72.61504   31.76908 72.61504   31.76908 ?          ?        78.35124 20.16048 ?        ?        ?         ?        
1 1 1 21 54 0  f 180.0696 12.24424 334.7099   43.68248 334.7099   43.68248 334.7099   43.68248 180.0696 12.24424 180.0696 12.24424 -0.000000 0.000000 
1 1 1 21 54 1  o 152.7523 9.099025 238.2681   27.79794 238.2681   27.79794 ?          ?        152.7523 9.099025 ?        ?        ?         ?        
1 1 1 21 54 2  o 40.00631 17.42128 -0.5673050 26.09603 -0.5673050 26.09603 ?          ?        40.00631 17.42128 ?        ?        ?         ?        
1 1 1 21 54 3  o 48.78028 18.99062 19.28837   26.66333 19.28837   26.66333 ?          ?        48.78028 18.99062 ?        ?        ?         ?        
1 1 1 21 54 4  o 262.9327 8.091020 704.5928   42.54787 704.5928   42.54787 ?          ?        262.9327 8.091020 ?        ?        ?         ?        
1 1 1 21 54 5  o 150.5751 9.418973 233.1623   28.36525 233.1623   28.36525 ?          ?        150.5751 9.418973 ?        ?        ?         ?        
1 1 1 21 54 6  o 90.80068 14.05756 87.93227   25.52872 87.93227   25.52872 ?          ?        90.80068 14.05756 ?        ?        ?         ?        
1 1 1 21 55 0  o 57.02888 27.75481 52.75936   36.87482 52.75936   36.87482 52.75936   36.87482 57.02888 27.75481 57.02888 27.75481 -0.000000 0.000000 
1 1 1 21 55 1  f 134.2271 10.35482 185.5087   27.79794 185.5087   27.79794 ?          ?        134.2271 10.35482 ?        ?        ?         ?        
1 1 1 21 55 2  o 68.13698 18.91050 52.75936   26.66333 52.75936   26.66333 ?          ?        68.13698 18.91050 ?        ?        ?         ?        
1 1 1 21 55 3  f 110.7698 12.80369 128.7782   28.36525 128.7782   28.36525 ?          ?        110.7698 12.80369 ?        ?        ?         ?        
1 1 1 21 55 4  o 128.9504 10.77854 172.4607   27.79794 172.4607   27.79794 ?          ?        128.9504 10.77854 ?        ?        ?         ?        
1 1 1 21 55 5  o 73.13939 18.88010 61.83624   27.79794 61.83624   27.79794 ?          ?        73.13939 18.88010 ?        ?        ?         ?        
1 1 1 21 55 6  o 116.9614 11.88339 143.5282   27.79794 143.5282   27.79794 ?          ?        116.9614 11.88339 ?        ?        ?         ?        
1 1 1 21 56 0  o 80.08689 25.43352 85.66305   35.74022 85.66305   35.74022 85.66305   35.74022 80.08689 25.43352 80.08689 25.43352 -0.000000 0.000000 
1 1 1 21 56 1  o 37.75422 16.63640 -2.836525  24.39412 -2.836525  24.39412 ?          ?        37.75422 16.63640 ?        ?        ?         ?        
1 1 1 21 56 2  o 129.6040 10.28646 173.5953   26.66333 173.5953   26.66333 ?          ?        129.6040 10.28646 ?        ?        ?         ?        
1 1 1 21 56 3  o 79.92107 16.53160 71.48043   25.52872 71.48043   25.52872 ?          ?        79.92107 16.53160 ?        ?        ?         ?        
1 1 1 21 56 4  o 41.56784 17.30706 7.942269   23.82681 7.942269   23.82681 ?          ?        41.56784 17.30706 ?        ?        ?         ?        
1 1 1 21 56 5  o 130.5692 10.42767 176.9992   27.23064 176.9992   27.23064 ?          ?        130.5692 10.42767 ?        ?        ?         ?        
1 1 1 21 57 0  o 170.5789 12.60897 302.9409   42.54787 302.9409   42.54787 302.9409   42.54787 170.5789 12.60897 170.5789 12.60897 -0.000000 0.000000 
1 1 1 21 57 1  o 55.48129 18.62019 33.47099   24.39412 33.47099   24.39412 ?          ?        55.48129 18.62019 ?        ?        ?         ?        
1 1 1 21 57 2  o 105.3865 13.99603 117.9994   29.49986 117.9994   29.49986 ?          ?        105.3865 13.99603 ?        ?        ?         ?        
1 1 1 21 57 3  o 58.91163 18.80629 39.14404   24.96142 39.14404   24.96142 ?          ?        58.91163 18.80629 ?        ?        ?         ?        
1 1 1 21 57 4  o 78.17973 16.15148 68.64390   24.39412 68.64390   24.39412 ?          ?        78.17973 16.15148 ?        ?        ?         ?        
1 1 1 21 58 0  o 50.99699 26.30814 43.11518   34.03830 43.11518   34.03830 43.11518   34.03830 50.99699 26.30814 50.99699 26.30814 -0.000000 0.000000 
1 1 1 21 58 1  o 46.88486 18.49850 17.58645   25.52872 17.58645   25.52872 ?          ?        46.88486 18.49850 ?        ?        ?         ?        
1 1 1 21 58 2  f 51.16977 18.51088 26.66333   24.39412 26.66333   24.39412 ?          ?        51.16977 18.51088 ?        ?        ?         ?        
1 1 1 21 58 3  o 93.67365 15.14046 94.73994   28.36525 94.73994   28.36525 ?          ?        93.67365 15.14046 ?        ?        ?         ?        
1 1 1 21 59 0  f 39.57776 24.59294 18.15376   38.00943 18.15376   38.00943 18.15376   38.00943 39.57776 24.59294 39.57776 24.59294 -0.000000 0.000000 
1 1 1 21 59 1  o 129.3088 11.84547 175.2972   30.63447 175.2972   30.63447 ?          ?        129.3088 11.84547 ?        ?        ?         ?        
1 1 1 22 0  1  o 299.9654 25.70441 925.8417   152.0377 925.8417   152.0377 925.8417   152.0377 299.9654 25.70441 299.9654 25.70441 -0.000000 0.000000 
1 1 1 22 0  2  o 110.4217 33.61013 152.6050   64.67276 152.6050   64.67276 152.6050   64.67276 110.4217 33.61013 110.4217 33.61013 -0.000000 0.000000 
1 1 1 22 0  4  o 87.96777 27.93355 98.14376   43.11518 98.14376   43.11518 98.14376   43.11518 87.96777 27.93355 87.96777 27.93355 -0.000000 0.000000 
1 1 1 22 0  5  f 142.4878 23.28897 217.2778   61.83624 217.2778   61.83624 217.2778   61.83624 142.4878 23.28897 142.4878 23.28897 -0.000000 0.000000 
1 1 1 22 0  6  o 111.5305 30.07572 149.7685   57.86510 149.7685   57.86510 149.7685   57.86510 111.5305 30.07572 111.5305 30.07572 -0.000000 0.000000 
1 1 1 22 0  7  o 328.2425 23.57626 1105.110   153.1723 1105.110   153.1723 1105.110   153.1723 328.2425 23.57626 328.2425 23.57626 -0.000000 0.000000 
1 1 1 22 0  8  o 65.65446 35.02675 64.10546   61.83624 64.10546   61.83624 64.10546   61.83624 65.65446 35.02675 65.65446 35.02675 -0.000000 0.000000 
1 1 1 22 0  9  o 190.1897 19.61362 376.1232   73.18234 376.1232   73.18234 376.1232   73.18234 190.1897 19.61362 190.1897 19.61362 -0.000000 0.000000 
1 1 1 22 0  10 o 90.00625 28.71088 103.8168   45.38440 103.8168   45.38440 103.8168   45.38440 90.00625 28.71088 90.00625 28.71088 -0.000000 0.000000 
1 1 1 22 0  11 f 176.2209 12.52140 317.1235   43.68248 317.1235   43.68248 317.1235   43.68248 176.2209 12.52140 176.2209 12.52140 -0.000000 0.000000 
1 1 1 22 0  12 o 71.63216 26.25262 70.34581   34.60560 70.34581   34.60560 70.34581   34.60560 71.63216 26.25262 71.63216 26.25262 -0.000000 0.000000 
1 1 1 22 0  13 o 48.11782 25.26188 35.74022   31.76908 35.74022   31.76908 35.74022   31.76908 48.11782 25.26188 48.11782 25.26188 -0.000000 0.000000 
1 1 1 22 0  14 f 96.98502 17.77125 104.9514   31.20177 104.9514   31.20177 104.9514   31.20177 96.98502 17.77125 96.98502 17.77125 -0.000000 0.000000 
1 1 1 22 0  15 f 88.25320 19.50414 91.33610   30.06716 91.33610   30.06716 91.33610   30.06716 88.25320 19.50414 88.25320 19.50414 -0.000000 0.000000 
1 1 1 22 0  16 o 39.59319 22.48443 23.82681   27.23064 23.82681   27.23064 23.82681   27.23064 39.59319 22.48443 39.59319 22.48443 -0.000000 0.000000 
1 1 1 22 1  1  o 381.9914 18.71258 1470.454   142.9609 1470.454   142.9609 ?          ?        381.9914 18.71258 ?        ?        ?         ?        
1 1 1 22 1  2  o 51.95132 23.63060 -32.90369  53.89397 -32.90369  53.89397 ?          ?        51.95132 23.63060 ?        ?        ?         ?        
1 1 1 22 1  3  o 356.4687 17.50604 1280.407   124.8071 1280.407   124.8071 ?          ?        356.4687 17.50604 ?        ?        ?         ?        
1 1 1 22 1  4  o 240.9656 14.24351 583.7568   68.64390 583.7568   68.64390 ?          ?        240.9656 14.24351 ?        ?        ?         ?        
1 1 1 22 1  5  o 229.9992 15.16930 532.6994   69.77851 532.6994   69.77851 ?          ?        229.9992 15.16930 ?        ?        ?         ?        
1 1 1 22 1  6  o 216.9645 12.94295 473.1324   56.16319 473.1324   56.16319 ?          ?        216.9645 12.94295 ?        ?        ?         ?        
1 1 1 22 1  7  o 400.6159 18.83389 1626.464   150.9031 1626.464   150.9031 ?          ?        400.6159 18.83389 ?        ?        ?         ?        
1 1 1 22 1  8  o 206.8628 14.39771 431.1518   59.56702 431.1518   59.56702 ?          ?        206.8628 14.39771 ?        ?        ?         ?        
1 1 1 22 1  9  o 168.9675 11.07968 287.0563   37.44213 287.0563   37.44213 ?          ?        168.9675 11.07968 ?        ?        ?         ?        
1 1 1 22 1  10 f 193.5098 9.967648 376.6905   38.57674 376.6905   38.57674 ?          ?        193.5098 9.967648 ?        ?        ?         ?        
1 1 1 22 1  11 o 153.9780 9.579243 238.8354   29.49986 238.8354   29.49986 ?          ?        153.9780 9.579243 ?        ?        ?         ?        
1 1 1 22 1  12 o 37.21384 16.89236 -14.18262  27.23064 -14.18262  27.23064 ?          ?        37.21384 16.89236 ?        ?        ?         ?        
1 1 1 22 1  13 o 136.9834 9.111114 190.0471   24.96142 190.0471   24.96142 ?          ?        136.9834 9.111114 ?        ?        ?         ?        
1 1 1 22 1  14 o 63.62791 16.04207 44.24979   20.42298 44.24979   20.42298 ?          ?        63.62791 16.04207 ?        ?        ?         ?        
1 1 1 22 1  15 o 88.44732 11.86598 81.12460   20.99029 81.12460   20.99029 ?          ?        88.44732 11.86598 ?        ?        ?         ?        
1 1 1 22 1  16 o 63.69486 17.03233 45.95170   22.12490 45.95170   22.12490 ?          ?        63.69486 17.03233 ?        ?        ?         ?        
1 1 1 22 2  0  o 303.1228 24.06564 941.7263   144.0954 941.7263   144.0954 941.7263   144.0954 303.1228 24.06564 303.1228 24.06564 -0.000000 0.000000 
1 1 1 22 2  1  o 434.6548 29.82348 1926.568   259.2584 1926.568   259.2584 ?          ?        434.6548 29.82348 ?        ?        ?         ?        
1 1 1 22 2  2  o 264.3863 15.34206 702.8909   81.12460 702.8909   81.12460 ?          ?        264.3863 15.34206 ?        ?        ?         ?        
1 1 1 22 2  3  o 67.13651 24.28370 38.00943   41.98057 38.00943   41.98057 ?          ?        67.13651 24.28370 ?        ?        ?         ?        
1 1 1 22 2  4  o 88.02885 26.15129 79.99000   49.35553 79.99000   49.35553 ?          ?        88.02885 26.15129 ?        ?        ?         ?        
1 1 1 22 2  5  o 217.9646 10.02055 476.5362   43.68248 476.5362   43.68248 ?          ?        217.9646 10.02055 ?        ?        ?         ?        
1 1 1 22 2  6  o 128.2520 15.26059 165.6530   39.14404 165.6530   39.14404 ?          ?        128.2520 15.26059 ?        ?        ?         ?        
1 1 1 22 2  7  o 162.1329 12.24654 264.3641   39.71135 264.3641   39.71135 ?          ?        162.1329 12.24654 ?        ?        ?         ?        
1 1 1 22 2  8  o 139.8483 13.38669 196.8548   37.44213 196.8548   37.44213 ?          ?        139.8483 13.38669 ?        ?        ?         ?        
1 1 1 22 2  9  o 214.2642 11.51745 461.7863   49.35553 461.7863   49.35553 ?          ?        214.2642 11.51745 ?        ?        ?         ?        
1 1 1 22 2  10 o 82.14111 16.46559 70.91312   26.09603 70.91312   26.09603 ?          ?        82.14111 16.46559 ?        ?        ?         ?        
1 1 1 22 2  11 o 217.4250 8.349437 475.4016   36.30752 475.4016   36.30752 ?          ?        217.4250 8.349437 ?        ?        ?         ?        
1 1 1 22 2  12 o 88.98557 14.02554 81.12460   24.96142 81.12460   24.96142 ?          ?        88.98557 14.02554 ?        ?        ?         ?        
1 1 1 22 2  13 o 86.63694 13.42355 77.15348   23.25950 77.15348   23.25950 ?          ?        86.63694 13.42355 ?        ?        ?         ?        
1 1 1 22 2  14 o 83.51093 12.56739 72.04772   20.99029 72.04772   20.99029 ?          ?        83.51093 12.56739 ?        ?        ?         ?        
1 1 1 22 2  15 o 91.13635 10.89339 85.66305   19.85567 85.66305   19.85567 ?          ?        91.13635 10.89339 ?        ?        ?         ?        
1 1 1 22 2  16 o 41.00504 17.52812 3.971134   25.52872 3.971134   25.52872 ?          ?        41.00504 17.52812 ?        ?        ?         ?        
1 1 1 22 3  0  o 92.30935 42.53194 126.5090   85.66305 126.5090   85.66305 126.5090   85.66305 92.30935 42.53194 92.30935 42.53194 -0.000000 0.000000 
1 1 1 22 3  1  o 430.1560 20.37601 1867.568   175.2972 1867.568   175.2972 ?          ?        430.1560 20.37601 ?        ?        ?         ?        
1 1 1 22 3  2  o 54.69889 26.09859 -100.9803  78.85539 -100.9803  78.85539 ?          ?        54.69889 26.09859 ?        ?        ?         ?        
1 1 1 22 3  3  o 300.2549 11.05306 904.2841   66.37468 904.2841   66.37468 ?          ?        300.2549 11.05306 ?        ?        ?         ?        
1 1 1 22 3  4  o 187.2302 13.63494 352.2964   51.05745 352.2964   51.05745 ?          ?        187.2302 13.63494 ?        ?        ?         ?        
1 1 1 22 3  5  o 117.1616 11.86308 137.8551   27.79794 137.8551   27.79794 ?          ?        117.1616 11.86308 ?        ?        ?         ?        
1 1 1 22 3  6  o 201.2510 11.83935 406.7577   47.65361 406.7577   47.65361 ?          ?        201.2510 11.83935 ?        ?        ?         ?        
1 1 1 22 3  7  o 401.7413 15.53327 1628.733   124.8071 1628.733   124.8071 ?          ?        401.7413 15.53327 ?        ?        ?         ?        
1 1 1 22 3  8  o 93.88292 19.09377 92.47070   34.60560 92.47070   34.60560 ?          ?        93.88292 19.09377 ?        ?        ?         ?        
1 1 1 22 3  9  o 295.5089 10.65465 877.6207   62.97085 877.6207   62.97085 ?          ?        295.5089 10.65465 ?        ?        ?         ?        
1 1 1 22 3  10 o 33.70959 16.26816 -50.49014  32.90369 -50.49014  32.90369 ?          ?        33.70959 16.26816 ?        ?        ?         ?        
1 1 1 22 3  11 o 151.4555 10.48793 231.4604   31.76908 231.4604   31.76908 ?          ?        151.4555 10.48793 ?        ?        ?         ?        
1 1 1 22 3  12 o 134.4071 12.87343 184.3741   34.60560 184.3741   34.60560 ?          ?        134.4071 12.87343 ?        ?        ?         ?        
1 1 1 22 3  13 o 156.4631 8.158064 247.3450   25.52872 247.3450   25.52872 ?          ?        156.4631 8.158064 ?        ?        ?         ?        
1 1 1 22 3  14 o 94.05921 12.36429 91.33610   23.25950 91.33610   23.25950 ?          ?        94.05921 12.36429 ?        ?        ?         ?        
1 1 1 22 3  15 o 187.3972 10.14141 360.8060   38.00943 360.8060   38.00943 ?          ?        187.3972 10.14141 ?        ?        ?         ?        
1 1 1 22 3  16 o 104.4207 11.13740 113.4610   23.25950 113.4610   23.25950 ?          ?        104.4207 11.13740 ?        ?        ?         ?        
1 1 1 22 4  0  f 54.06426 34.53617 11.91340   80.55730 11.91340   80.55730 11.91340   80.55730 54.06426 34.53617 54.06426 34.53617 -0.000000 0.000000 
1 1 1 22 4  1  o 286.5555 16.13487 825.9961   92.47070 825.9961   92.47070 ?          ?        286.5555 16.13487 ?        ?        ?         ?        
1 1 1 22 4  2  o 66.53306 23.50980 39.14404   39.14404 39.14404   39.14404 ?          ?        66.53306 23.50980 ?        ?        ?         ?        
1 1 1 22 4  3  o 162.3800 13.80006 264.9314   44.81709 264.9314   44.81709 ?          ?        162.3800 13.80006 ?        ?        ?         ?        
1 1 1 22 4  4  o 337.5154 13.53066 1144.821   91.33610 1144.821   91.33610 ?          ?        337.5154 13.53066 ?        ?        ?         ?        
1 1 1 22 4  5  o 281.7415 11.67868 797.0634   65.80738 797.0634   65.80738 ?          ?        281.7415 11.67868 ?        ?        ?         ?        
1 1 1 22 4  6  o 84.00367 20.42830 74.31695   34.03830 74.31695   34.03830 ?          ?        84.00367 20.42830 ?        ?        ?         ?        
1 1 1 22 4  7  o 227.0996 10.61669 517.9495   48.22092 517.9495   48.22092 ?          ?        227.0996 10.61669 ?        ?        ?         ?        
1 1 1 22 4  8  o 176.5834 12.85070 313.7196   45.38440 313.7196   45.38440 ?          ?        176.5834 12.85070 ?        ?        ?         ?        
1 1 1 22 4  9  o 274.5136 12.19284 758.4867   66.94199 758.4867   66.94199 ?          ?        274.5136 12.19284 ?        ?        ?         ?        
1 1 1 22 4  10 o 92.51611 15.02330 86.79766   27.79794 86.79766   27.79794 ?          ?        92.51611 15.02330 ?        ?        ?         ?        
1 1 1 22 4  11 o 140.8155 10.87752 200.2587   30.63447 200.2587   30.63447 ?          ?        140.8155 10.87752 ?        ?        ?         ?        
1 1 1 22 4  12 o 80.35337 15.74049 68.64390   24.39412 68.64390   24.39412 ?          ?        80.35337 15.74049 ?        ?        ?         ?        
1 1 1 22 4  13 o 137.0044 9.937870 190.6145   27.23064 190.6145   27.23064 ?          ?        137.0044 9.937870 ?        ?        ?         ?        
1 1 1 22 4  14 o 58.42558 19.04830 36.30752   25.52872 36.30752   25.52872 ?          ?        58.42558 19.04830 ?        ?        ?         ?        
1 1 1 22 4  15 o 55.72353 16.59370 34.03830   19.85567 34.03830   19.85567 ?          ?        55.72353 16.59370 ?        ?        ?         ?        
1 1 1 22 4  16 o 95.94731 10.34718 95.30723   19.85567 95.30723   19.85567 ?          ?        95.94731 10.34718 ?        ?        ?         ?        
1 1 1 22 5  0  o 78.43578 38.94843 92.47070   73.18234 92.47070   73.18234 92.47070   73.18234 78.43578 38.94843 78.43578 38.94843 -0.000000 0.000000 
1 1 1 22 5  1  o 348.6278 13.91300 1220.840   97.00916 1220.840   97.00916 ?          ?        348.6278 13.91300 ?        ?        ?         ?        
1 1 1 22 5  2  o 203.9288 14.88305 418.1037   60.70163 418.1037   60.70163 ?          ?        203.9288 14.88305 ?        ?        ?         ?        
1 1 1 22 5  3  o 610.3465 22.21457 3771.443   271.1718 3771.443   271.1718 ?          ?        610.3465 22.21457 ?        ?        ?         ?        
1 1 1 22 5  4  o 65.43031 21.24925 41.98057   31.76908 41.98057   31.76908 ?          ?        65.43031 21.24925 ?        ?        ?         ?        
1 1 1 22 5  5  o 57.77699 20.40987 29.49986   29.49986 29.49986   29.49986 ?          ?        57.77699 20.40987 ?        ?        ?         ?        
1 1 1 22 5  6  o 195.7949 15.79108 386.3347   61.83624 386.3347   61.83624 ?          ?        195.7949 15.79108 ?        ?        ?         ?        
1 1 1 22 5  8  o 153.7107 12.73303 237.7008   39.14404 237.7008   39.14404 ?          ?        153.7107 12.73303 ?        ?        ?         ?        
1 1 1 22 5  9  o 144.1855 12.59056 209.3355   36.30752 209.3355   36.30752 ?          ?        144.1855 12.59056 ?        ?        ?         ?        
1 1 1 22 5  10 o 69.83540 18.41783 51.62476   26.09603 51.62476   26.09603 ?          ?        69.83540 18.41783 ?        ?        ?         ?        
1 1 1 22 5  11 o 109.3304 13.49115 121.4033   29.49986 121.4033   29.49986 ?          ?        109.3304 13.49115 ?        ?        ?         ?        
1 1 1 22 5  12 o 116.1029 10.74970 136.7205   24.96142 136.7205   24.96142 ?          ?        116.1029 10.74970 ?        ?        ?         ?        
1 1 1 22 5  13 o 34.43514 16.15717 -27.23064  28.36525 -27.23064  28.36525 ?          ?        34.43514 16.15717 ?        ?        ?         ?        
1 1 1 22 5  14 o 59.49635 19.87686 37.44213   27.79794 37.44213   27.79794 ?          ?        59.49635 19.87686 ?        ?        ?         ?        
1 1 1 22 5  15 o 74.58794 13.82921 60.13433   19.85567 60.13433   19.85567 ?          ?        74.58794 13.82921 ?        ?        ?         ?        
1 1 1 22 5  16 o 56.09051 16.25475 35.17290   19.28837 35.17290   19.28837 ?          ?        56.09051 16.25475 ?        ?        ?         ?        
1 1 1 22 6  0  o 170.0373 18.74697 300.6716   62.40355 300.6716   62.40355 300.6716   62.40355 170.0373 18.74697 170.0373 18.74697 -0.000000 0.000000 
1 1 1 22 6  1  o 731.0884 26.34429 5431.945   385.2001 5431.945   385.2001 ?          ?        731.0884 26.34429 ?        ?        ?         ?        
1 1 1 22 6  2  o 283.9654 12.68600 809.5441   72.04772 809.5441   72.04772 ?          ?        283.9654 12.68600 ?        ?        ?         ?        
1 1 1 22 6  3  o 204.6346 9.980219 419.8057   40.84595 419.8057   40.84595 ?          ?        204.6346 9.980219 ?        ?        ?         ?        
1 1 1 22 6  4  o 61.72166 23.38941 27.79794   39.71135 27.79794   39.71135 ?          ?        61.72166 23.38941 ?        ?        ?         ?        
1 1 1 22 6  5  o 108.7490 15.64993 119.1340   34.03830 119.1340   34.03830 ?          ?        108.7490 15.64993 ?        ?        ?         ?        
1 1 1 22 6  6  o 66.20274 20.56485 44.24979   30.06716 44.24979   30.06716 ?          ?        66.20274 20.56485 ?        ?        ?         ?        
1 1 1 22 6  7  o 413.1008 20.73660 1734.251   171.3261 1734.251   171.3261 ?          ?        413.1008 20.73660 ?        ?        ?         ?        
1 1 1 22 6  8  o 266.6573 10.85009 714.2369   57.86510 714.2369   57.86510 ?          ?        266.6573 10.85009 ?        ?        ?         ?        
1 1 1 22 6  9  f 230.6966 11.92661 535.5359   55.02858 535.5359   55.02858 ?          ?        230.6966 11.92661 ?        ?        ?         ?        
1 1 1 22 6  10 o 47.12426 20.01383 1.701915   32.90369 1.701915   32.90369 ?          ?        47.12426 20.01383 ?        ?        ?         ?        
1 1 1 22 6  11 o 124.0456 10.74739 155.4416   26.66333 155.4416   26.66333 ?          ?        124.0456 10.74739 ?        ?        ?         ?        
1 1 1 22 6  12 o 42.17472 17.64679 4.538440   24.96142 4.538440   24.96142 ?          ?        42.17472 17.64679 ?        ?        ?         ?        
1 1 1 22 6  13 o 87.75079 15.76578 82.25922   26.66333 82.25922   26.66333 ?          ?        87.75079 15.76578 ?        ?        ?         ?        
1 1 1 22 6  14 o 28.47446 13.54422 -24.39412  20.99029 -24.39412  20.99029 ?          ?        28.47446 13.54422 ?        ?        ?         ?        
1 1 1 22 6  15 o 66.49756 16.65596 49.35553   22.12490 49.35553   22.12490 ?          ?        66.49756 16.65596 ?        ?        ?         ?        
1 1 1 22 6  16 o 73.81292 15.48219 60.70163   22.12490 60.70163   22.12490 ?          ?        73.81292 15.48219 ?        ?        ?         ?        
1 1 1 22 7  0  o 30.18735 22.14170 -145.7974  72.61504 -145.7974  72.61504 -145.7974  72.61504 30.18735 22.14170 30.18735 22.14170 -0.000000 0.000000 
1 1 1 22 7  1  o 264.7500 13.60675 704.0255   72.04772 704.0255   72.04772 ?          ?        264.7500 13.60675 ?        ?        ?         ?        
1 1 1 22 7  2  o 436.8771 16.49153 1921.462   144.0954 1921.462   144.0954 ?          ?        436.8771 16.49153 ?        ?        ?         ?        
1 1 1 22 7  3  o 141.9293 14.58940 202.5279   41.41326 202.5279   41.41326 ?          ?        141.9293 14.58940 ?        ?        ?         ?        
1 1 1 22 7  4  o 364.1009 14.49031 1333.734   105.5187 1333.734   105.5187 ?          ?        364.1009 14.49031 ?        ?        ?         ?        
1 1 1 22 7  5  o 219.9917 12.37803 486.1804   54.46128 486.1804   54.46128 ?          ?        219.9917 12.37803 ?        ?        ?         ?        
1 1 1 22 7  6  o 111.2850 15.54820 124.8071   34.60560 124.8071   34.60560 ?          ?        111.2850 15.54820 ?        ?        ?         ?        
1 1 1 22 7  7  o 255.4968 11.10200 655.8046   56.73050 655.8046   56.73050 ?          ?        255.4968 11.10200 ?        ?        ?         ?        
1 1 1 22 7  8  o 207.9927 10.77372 434.5556   44.81709 434.5556   44.81709 ?          ?        207.9927 10.77372 ?        ?        ?         ?        
1 1 1 22 7  9  o 369.1836 12.75417 1372.878   94.17262 1372.878   94.17262 ?          ?        369.1836 12.75417 ?        ?        ?         ?        
1 1 1 22 7  10 o 221.2513 9.358873 492.4207   41.41326 492.4207   41.41326 ?          ?        221.2513 9.358873 ?        ?        ?         ?        
1 1 1 22 7  11 f 104.6543 13.00981 111.1918   27.23064 111.1918   27.23064 ?          ?        104.6543 13.00981 ?        ?        ?         ?        
1 1 1 22 7  12 o 116.3354 13.65409 138.4224   31.76908 138.4224   31.76908 ?          ?        116.3354 13.65409 ?        ?        ?         ?        
1 1 1 22 7  13 o 122.7354 10.16879 153.1723   24.96142 153.1723   24.96142 ?          ?        122.7354 10.16879 ?        ?        ?         ?        
1 1 1 22 7  14 f 36.19937 15.98612 -4.538440  22.69220 -4.538440  22.69220 ?          ?        36.19937 15.98612 ?        ?        ?         ?        
1 1 1 22 7  15 o 67.27834 16.53763 50.49014   22.12490 50.49014   22.12490 ?          ?        67.27834 16.53763 ?        ?        ?         ?        
1 1 1 22 7  16 o 53.59963 17.00084 31.76908   20.42298 31.76908   20.42298 ?          ?        53.59963 17.00084 ?        ?        ?         ?        
1 1 1 22 8  0  o 99.25776 26.19240 117.4321   44.81709 117.4321   44.81709 117.4321   44.81709 99.25776 26.19240 99.25776 26.19240 -0.000000 0.000000 
1 1 1 22 8  1  o 146.0556 26.62182 223.5181   74.88425 223.5181   74.88425 ?          ?        146.0556 26.62182 ?        ?        ?         ?        
1 1 1 22 8  2  o 239.9773 10.63797 577.5164   51.05745 577.5164   51.05745 ?          ?        239.9773 10.63797 ?        ?        ?         ?        
1 1 1 22 8  3  o 370.3102 12.56217 1376.849   93.03801 1376.849   93.03801 ?          ?        370.3102 12.56217 ?        ?        ?         ?        
1 1 1 22 8  4  o 333.4295 13.95168 1118.158   93.03801 1118.158   93.03801 ?          ?        333.4295 13.95168 ?        ?        ?         ?        
1 1 1 22 8  5  o 292.0596 8.740931 854.9286   51.05745 854.9286   51.05745 ?          ?        292.0596 8.740931 ?        ?        ?         ?        
1 1 1 22 8  6  o 66.60394 21.21175 44.24979   31.76908 44.24979   31.76908 ?          ?        66.60394 21.21175 ?        ?        ?         ?        
1 1 1 22 8  7  o 214.7224 10.43606 462.9208   44.81709 462.9208   44.81709 ?          ?        214.7224 10.43606 ?        ?        ?         ?        
1 1 1 22 8  8  o 330.5696 11.84139 1098.870   78.28809 1098.870   78.28809 ?          ?        330.5696 11.84139 ?        ?        ?         ?        
1 1 1 22 8  9  o 117.7563 11.80317 139.5570   27.79794 139.5570   27.79794 ?          ?        117.7563 11.80317 ?        ?        ?         ?        
1 1 1 22 8  10 o 129.1302 10.10454 167.9223   26.09603 167.9223   26.09603 ?          ?        129.1302 10.10454 ?        ?        ?         ?        
1 1 1 22 8  11 o 180.6074 8.795065 328.4696   31.76908 328.4696   31.76908 ?          ?        180.6074 8.795065 ?        ?        ?         ?        
1 1 1 22 8  12 o 300.4017 10.48111 914.4956   62.97085 914.4956   62.97085 ?          ?        300.4017 10.48111 ?        ?        ?         ?        
1 1 1 22 8  13 f 235.4733 10.48007 564.4684   49.35553 564.4684   49.35553 ?          ?        235.4733 10.48007 ?        ?        ?         ?        
1 1 1 22 8  14 o 77.61161 15.15981 65.24007   22.69220 65.24007   22.69220 ?          ?        77.61161 15.15981 ?        ?        ?         ?        
1 1 1 22 8  15 o 152.8838 8.349059 238.2681   25.52872 238.2681   25.52872 ?          ?        152.8838 8.349059 ?        ?        ?         ?        
1 1 1 22 8  16 o 37.98712 16.05179 4.538440   20.99029 4.538440   20.99029 ?          ?        37.98712 16.05179 ?        ?        ?         ?        
1 1 1 22 9  0  o 217.2968 15.83256 481.0746   68.07660 481.0746   68.07660 481.0746   68.07660 217.2968 15.83256 217.2968 15.83256 -0.000000 0.000000 
1 1 1 22 9  1  o 67.65874 23.39351 41.98057   38.57674 41.98057   38.57674 ?          ?        67.65874 23.39351 ?        ?        ?         ?        
1 1 1 22 9  2  o 363.1153 12.96732 1324.090   94.17262 1324.090   94.17262 ?          ?        363.1153 12.96732 ?        ?        ?         ?        
1 1 1 22 9  3  o 315.7117 14.01588 1001.861   88.49958 1001.861   88.49958 ?          ?        315.7117 14.01588 ?        ?        ?         ?        
1 1 1 22 9  4  o 145.7894 10.89554 213.3067   31.76908 213.3067   31.76908 ?          ?        145.7894 10.89554 ?        ?        ?         ?        
1 1 1 22 9  5  o 314.1916 11.55585 991.0818   72.61504 991.0818   72.61504 ?          ?        314.1916 11.55585 ?        ?        ?         ?        
1 1 1 22 9  6  o 155.1096 11.52096 241.6719   35.74022 241.6719   35.74022 ?          ?        155.1096 11.52096 ?        ?        ?         ?        
1 1 1 22 9  7  o 310.4523 13.33965 970.0915   82.82652 970.0915   82.82652 ?          ?        310.4523 13.33965 ?        ?        ?         ?        
1 1 1 22 9  8  o 277.8600 9.493876 774.9386   52.75936 774.9386   52.75936 ?          ?        277.8600 9.493876 ?        ?        ?         ?        
1 1 1 22 9  9  o 231.6795 9.182486 538.9397   42.54787 538.9397   42.54787 ?          ?        231.6795 9.182486 ?        ?        ?         ?        
1 1 1 22 9  10 o 230.4868 11.44520 536.1032   52.75936 536.1032   52.75936 ?          ?        230.4868 11.44520 ?        ?        ?         ?        
1 1 1 22 9  11 o 152.2460 10.99240 234.2970   33.47099 234.2970   33.47099 ?          ?        152.2460 10.99240 ?        ?        ?         ?        
1 1 1 22 9  12 f 185.1602 9.497969 346.6233   35.17290 346.6233   35.17290 ?          ?        185.1602 9.497969 ?        ?        ?         ?        
1 1 1 22 9  13 o 163.5793 9.016993 271.1718   29.49986 271.1718   29.49986 ?          ?        163.5793 9.016993 ?        ?        ?         ?        
1 1 1 22 9  14 o 89.70101 11.38392 82.82652   20.42298 82.82652   20.42298 ?          ?        89.70101 11.38392 ?        ?        ?         ?        
1 1 1 22 9  15 o 58.57631 17.53114 38.00943   22.12490 38.00943   22.12490 ?          ?        58.57631 17.53114 ?        ?        ?         ?        
1 1 1 22 9  16 o 74.48549 14.61102 61.26894   20.99029 61.26894   20.99029 ?          ?        74.48549 14.61102 ?        ?        ?         ?        
1 1 1 22 10 0  o 869.2374 39.19953 7744.280   678.4968 7744.280   678.4968 7744.280   678.4968 869.2374 39.19953 869.2374 39.19953 -0.000000 0.000000 
1 1 1 22 10 1  o 360.2206 12.36283 1302.532   89.06688 1302.532   89.06688 ?          ?        360.2206 12.36283 ?        ?        ?         ?        
1 1 1 22 10 2  o 431.1355 14.54002 1868.703   125.3744 1868.703   125.3744 ?          ?        431.1355 14.54002 ?        ?        ?         ?        
1 1 1 22 10 3  o 164.8459 8.775635 272.3064   28.93255 272.3064   28.93255 ?          ?        164.8459 8.775635 ?        ?        ?         ?        
1 1 1 22 10 4  o 74.89801 22.02939 57.86510   35.17290 57.86510   35.17290 ?          ?        74.89801 22.02939 ?        ?        ?         ?        
1 1 1 22 10 5  o 357.9639 12.36152 1287.215   88.49958 1287.215   88.49958 ?          ?        357.9639 12.36152 ?        ?        ?         ?        
1 1 1 22 10 6  o 151.5717 11.97701 230.8931   36.30752 230.8931   36.30752 ?          ?        151.5717 11.97701 ?        ?        ?         ?        
1 1 1 22 10 7  o 260.5406 12.19352 682.4679   63.53815 682.4679   63.53815 ?          ?        260.5406 12.19352 ?        ?        ?         ?        
1 1 1 22 10 8  o 168.7695 9.411971 285.9217   31.76908 285.9217   31.76908 ?          ?        168.7695 9.411971 ?        ?        ?         ?        
1 1 1 22 10 9  o 206.1768 8.392216 426.6133   34.60560 426.6133   34.60560 ?          ?        206.1768 8.392216 ?        ?        ?         ?        
1 1 1 22 10 10 o 323.4669 9.909121 1053.485   64.10546 1053.485   64.10546 ?          ?        323.4669 9.909121 ?        ?        ?         ?        
1 1 1 22 10 11 o 250.0043 9.757478 630.2758   48.78823 630.2758   48.78823 ?          ?        250.0043 9.757478 ?        ?        ?         ?        
1 1 1 22 10 12 o 158.3625 9.493147 253.5853   30.06716 253.5853   30.06716 ?          ?        158.3625 9.493147 ?        ?        ?         ?        
1 1 1 22 10 13 o 86.49023 13.77428 77.15348   23.82681 77.15348   23.82681 ?          ?        86.49023 13.77428 ?        ?        ?         ?        
1 1 1 22 10 14 o 173.3502 8.345119 305.2101   28.93255 305.2101   28.93255 ?          ?        173.3502 8.345119 ?        ?        ?         ?        
1 1 1 22 10 15 o 123.0831 8.987789 154.8743   22.12490 154.8743   22.12490 ?          ?        123.0831 8.987789 ?        ?        ?         ?        
1 1 1 22 10 16 o 96.20894 10.90870 96.44185   20.99029 96.44185   20.99029 ?          ?        96.20894 10.90870 ?        ?        ?         ?        
1 1 1 22 11 0  o 625.9918 23.17866 3960.923   289.3255 3960.923   289.3255 3960.923   289.3255 625.9918 23.17866 625.9918 23.17866 -0.000000 0.000000 
1 1 1 22 11 1  o 426.7340 11.16705 1826.722   95.30723 1826.722   95.30723 ?          ?        426.7340 11.16705 ?        ?        ?         ?        
1 1 1 22 11 2  o 148.6779 11.63778 221.8162   34.60560 221.8162   34.60560 ?          ?        148.6779 11.63778 ?        ?        ?         ?        
1 1 1 22 11 3  o 200.2369 10.62438 402.2192   42.54787 402.2192   42.54787 ?          ?        200.2369 10.62438 ?        ?        ?         ?        
1 1 1 22 11 4  o 301.5321 11.38252 912.7936   68.64390 912.7936   68.64390 ?          ?        301.5321 11.38252 ?        ?        ?         ?        
1 1 1 22 11 5  o 232.8816 11.81471 544.6128   55.02858 544.6128   55.02858 ?          ?        232.8816 11.81471 ?        ?        ?         ?        
1 1 1 22 11 6  o 94.82154 17.07567 93.60532   31.20177 93.60532   31.20177 ?          ?        94.82154 17.07567 ?        ?        ?         ?        
1 1 1 22 11 7  o 332.3467 11.35133 1109.649   75.45156 1109.649   75.45156 ?          ?        332.3467 11.35133 ?        ?        ?         ?        
1 1 1 22 11 8  o 167.8998 9.629665 283.0852   32.33638 283.0852   32.33638 ?          ?        167.8998 9.629665 ?        ?        ?         ?        
1 1 1 22 11 9  o 209.1129 8.816964 439.0940   36.87482 439.0940   36.87482 ?          ?        209.1129 8.816964 ?        ?        ?         ?        
1 1 1 22 11 10 o 261.1750 9.557352 686.4390   49.92284 686.4390   49.92284 ?          ?        261.1750 9.557352 ?        ?        ?         ?        
1 1 1 22 11 11 o 171.3533 10.92542 296.7005   37.44213 296.7005   37.44213 ?          ?        171.3533 10.92542 ?        ?        ?         ?        
1 1 1 22 11 12 o 251.2076 8.242837 636.5162   41.41326 636.5162   41.41326 ?          ?        251.2076 8.242837 ?        ?        ?         ?        
1 1 1 22 11 13 o 109.0602 11.18379 121.4033   24.39412 121.4033   24.39412 ?          ?        109.0602 11.18379 ?        ?        ?         ?        
1 1 1 22 11 14 o 46.74672 16.50457 20.99029   19.28837 20.99029   19.28837 ?          ?        46.74672 16.50457 ?        ?        ?         ?        
1 1 1 22 11 15 o 137.1116 9.102592 192.3164   24.96142 192.3164   24.96142 ?          ?        137.1116 9.102592 ?        ?        ?         ?        
1 1 1 22 11 16 f 33.97161 15.06293 -3.971134  20.42298 -3.971134  20.42298 ?          ?        33.97161 15.06293 ?        ?        ?         ?        
1 1 1 22 12 0  o 301.0474 16.78676 917.8995   100.4130 917.8995   100.4130 917.8995   100.4130 301.0474 16.78676 301.0474 16.78676 -0.000000 0.000000 
1 1 1 22 12 1  o 529.3358 19.77342 2829.717   209.3355 2829.717   209.3355 ?          ?        529.3358 19.77342 ?        ?        ?         ?        
1 1 1 22 12 2  o 302.6488 10.21584 918.4667   61.83624 918.4667   61.83624 ?          ?        302.6488 10.21584 ?        ?        ?         ?        
1 1 1 22 12 3  o 325.8928 10.35759 1065.399   67.50929 1065.399   67.50929 ?          ?        325.8928 10.35759 ?        ?        ?         ?        
1 1 1 22 12 4  o 78.13857 23.09880 62.97085   38.57674 62.97085   38.57674 ?          ?        78.13857 23.09880 ?        ?        ?         ?        
1 1 1 22 12 5  o 89.60745 20.66659 84.52843   36.30752 84.52843   36.30752 ?          ?        89.60745 20.66659 ?        ?        ?         ?        
1 1 1 22 12 6  o 141.4795 12.83137 201.3933   36.30752 201.3933   36.30752 ?          ?        141.4795 12.83137 ?        ?        ?         ?        
1 1 1 22 12 7  o 485.3855 18.17441 2383.816   176.4319 2383.816   176.4319 ?          ?        485.3855 18.17441 ?        ?        ?         ?        
1 1 1 22 12 8  o 246.6269 8.740973 610.4202   43.11518 610.4202   43.11518 ?          ?        246.6269 8.740973 ?        ?        ?         ?        
1 1 1 22 12 9  o 224.5729 9.094143 506.6033   40.84595 506.6033   40.84595 ?          ?        224.5729 9.094143 ?        ?        ?         ?        
1 1 1 22 12 10 o 136.9022 10.77407 188.9126   29.49986 188.9126   29.49986 ?          ?        136.9022 10.77407 ?        ?        ?         ?        
1 1 1 22 12 11 o 262.0136 9.959797 692.6793   52.19205 692.6793   52.19205 ?          ?        262.0136 9.959797 ?        ?        ?         ?        
1 1 1 22 12 12 o 335.5861 11.15723 1144.821   74.88425 1144.821   74.88425 ?          ?        335.5861 11.15723 ?        ?        ?         ?        
1 1 1 22 12 13 o 108.2224 11.53247 119.7014   24.96142 119.7014   24.96142 ?          ?        108.2224 11.53247 ?        ?        ?         ?        
1 1 1 22 12 14 o 49.59013 18.60631 21.55759   24.96142 21.55759   24.96142 ?          ?        49.59013 18.60631 ?        ?        ?         ?        
1 1 1 22 12 15 o 133.4504 8.927214 182.1049   23.82681 182.1049   23.82681 ?          ?        133.4504 8.927214 ?        ?        ?         ?        
1 1 1 22 12 16 o 103.6812 10.66967 111.7591   22.12490 111.7591   22.12490 ?          ?        103.6812 10.66967 ?        ?        ?         ?        
1 1 1 22 13 0  o 973.1672 35.37030 9658.367   686.4390 9658.367   686.4390 9658.367   686.4390 973.1672 35.37030 973.1672 35.37030 -0.000000 0.000000 
1 1 1 22 13 1  o 270.5657 10.37885 734.0926   56.16319 734.0926   56.16319 ?          ?        270.5657 10.37885 ?        ?        ?         ?        
1 1 1 22 13 2  o 71.20590 23.41556 49.35553   38.57674 49.35553   38.57674 ?          ?        71.20590 23.41556 ?        ?        ?         ?        
1 1 1 22 13 3  o 31.43584 15.15454 -43.68248  28.36525 -43.68248  28.36525 ?          ?        31.43584 15.15454 ?        ?        ?         ?        
1 1 1 22 13 4  o 233.4841 10.32638 546.8820   48.22092 546.8820   48.22092 ?          ?        233.4841 10.32638 ?        ?        ?         ?        
1 1 1 22 13 5  f 245.5351 9.935081 604.7471   48.78823 604.7471   48.78823 ?          ?        245.5351 9.935081 ?        ?        ?         ?        
1 1 1 22 13 6  o 309.6483 10.35134 962.7164   64.10546 962.7164   64.10546 ?          ?        309.6483 10.35134 ?        ?        ?         ?        
1 1 1 22 13 7  o 183.6247 11.12213 338.6811   40.84595 338.6811   40.84595 ?          ?        183.6247 11.12213 ?        ?        ?         ?        
1 1 1 22 13 8  o 171.1540 10.44095 294.4313   35.74022 294.4313   35.74022 ?          ?        171.1540 10.44095 ?        ?        ?         ?        
1 1 1 22 13 9  o 320.3731 9.916275 1031.928   63.53815 1031.928   63.53815 ?          ?        320.3731 9.916275 ?        ?        ?         ?        
1 1 1 22 13 10 o 164.4946 9.656572 272.3064   31.76908 272.3064   31.76908 ?          ?        164.4946 9.656572 ?        ?        ?         ?        
1 1 1 22 13 11 o 278.3626 11.00524 784.0154   61.26894 784.0154   61.26894 ?          ?        278.3626 11.00524 ?        ?        ?         ?        
1 1 1 22 13 12 o 134.9158 10.72244 184.9414   28.93255 184.9414   28.93255 ?          ?        134.9158 10.72244 ?        ?        ?         ?        
1 1 1 22 13 13 o 162.3517 9.085170 267.2006   29.49986 267.2006   29.49986 ?          ?        162.3517 9.085170 ?        ?        ?         ?        
1 1 1 22 13 14 o 213.6224 8.365278 464.0555   35.74022 464.0555   35.74022 ?          ?        213.6224 8.365278 ?        ?        ?         ?        
1 1 1 22 13 15 o 51.10262 17.91566 26.66333   22.69220 26.66333   22.69220 ?          ?        51.10262 17.91566 ?        ?        ?         ?        
1 1 1 22 14 0  o 788.2804 24.70220 6281.768   388.6039 6281.768   388.6039 6281.768   388.6039 788.2804 24.70220 788.2804 24.70220 -0.000000 0.000000 
1 1 1 22 14 1  o 418.4660 11.11656 1756.944   93.03801 1756.944   93.03801 ?          ?        418.4660 11.11656 ?        ?        ?         ?        
1 1 1 22 14 2  o 38.26708 16.98973 -9.644185  26.09603 -9.644185  26.09603 ?          ?        38.26708 16.98973 ?        ?        ?         ?        
1 1 1 22 14 3  o 241.8228 10.08760 586.5934   48.78823 586.5934   48.78823 ?          ?        241.8228 10.08760 ?        ?        ?         ?        
1 1 1 22 14 4  o 229.1690 9.035527 526.4590   41.41326 526.4590   41.41326 ?          ?        229.1690 9.035527 ?        ?        ?         ?        
1 1 1 22 14 5  o 133.6352 10.82520 179.2684   28.93255 179.2684   28.93255 ?          ?        133.6352 10.82520 ?        ?        ?         ?        
1 1 1 22 14 6  o 279.5714 10.04452 784.5828   56.16319 784.5828   56.16319 ?          ?        279.5714 10.04452 ?        ?        ?         ?        
1 1 1 22 14 7  o 249.6897 9.996975 625.7374   49.92284 625.7374   49.92284 ?          ?        249.6897 9.996975 ?        ?        ?         ?        
1 1 1 22 14 8  o 63.95952 19.99574 41.41326   28.36525 41.41326   28.36525 ?          ?        63.95952 19.99574 ?        ?        ?         ?        
1 1 1 22 14 9  o 217.8231 8.855062 476.5362   38.57674 476.5362   38.57674 ?          ?        217.8231 8.855062 ?        ?        ?         ?        
1 1 1 22 14 10 f 265.8241 9.283495 710.8331   49.35553 710.8331   49.35553 ?          ?        265.8241 9.283495 ?        ?        ?         ?        
1 1 1 22 14 11 o 183.0298 10.07345 338.6811   36.87482 338.6811   36.87482 ?          ?        183.0298 10.07345 ?        ?        ?         ?        
1 1 1 22 14 12 o 80.16066 15.77781 68.64390   24.39412 68.64390   24.39412 ?          ?        80.16066 15.77781 ?        ?        ?         ?        
1 1 1 22 14 13 o 163.9475 8.823726 272.3064   28.93255 272.3064   28.93255 ?          ?        163.9475 8.823726 ?        ?        ?         ?        
1 1 1 22 14 14 o 43.61050 16.87601 14.74993   20.99029 14.74993   20.99029 ?          ?        43.61050 16.87601 ?        ?        ?         ?        
1 1 1 22 14 15 f 41.94021 16.96972 10.77879   22.12490 10.77879   22.12490 ?          ?        41.94021 16.96972 ?        ?        ?         ?        
1 1 1 22 15 0  o 113.7584 23.76542 145.7974   47.65361 145.7974   47.65361 145.7974   47.65361 113.7584 23.76542 113.7584 23.76542 -0.000000 0.000000 
1 1 1 22 15 1  o 331.2315 9.591200 1100.004   63.53815 1100.004   63.53815 ?          ?        331.2315 9.591200 ?        ?        ?         ?        
1 1 1 22 15 2  f 192.0738 9.303770 369.8828   35.74022 369.8828   35.74022 ?          ?        192.0738 9.303770 ?        ?        ?         ?        
1 1 1 22 15 3  o 157.9389 9.877797 250.1815   31.20177 250.1815   31.20177 ?          ?        157.9389 9.877797 ?        ?        ?         ?        
1 1 1 22 15 4  o 139.1829 12.22790 194.5856   34.03830 194.5856   34.03830 ?          ?        139.1829 12.22790 ?        ?        ?         ?        
1 1 1 22 15 5  o 193.1790 9.837878 374.4213   38.00943 374.4213   38.00943 ?          ?        193.1790 9.837878 ?        ?        ?         ?        
1 1 1 22 15 6  o 355.0842 12.78131 1268.494   90.76879 1268.494   90.76879 ?          ?        355.0842 12.78131 ?        ?        ?         ?        
1 1 1 22 15 7  o 96.61432 15.26681 94.17262   29.49986 94.17262   29.49986 ?          ?        96.61432 15.26681 ?        ?        ?         ?        
1 1 1 22 15 8  o 231.6390 10.04127 538.9397   46.51900 538.9397   46.51900 ?          ?        231.6390 10.04127 ?        ?        ?         ?        
1 1 1 22 15 9  o 107.0095 13.51868 115.7302   28.93255 115.7302   28.93255 ?          ?        107.0095 13.51868 ?        ?        ?         ?        
1 1 1 22 15 10 o 159.3630 10.14551 255.8545   32.33638 255.8545   32.33638 ?          ?        159.3630 10.14551 ?        ?        ?         ?        
1 1 1 22 15 11 o 143.5270 11.66018 209.3355   33.47099 209.3355   33.47099 ?          ?        143.5270 11.66018 ?        ?        ?         ?        
1 1 1 22 15 12 o 281.3610 9.779001 802.7365   55.02858 802.7365   55.02858 ?          ?        281.3610 9.779001 ?        ?        ?         ?        
1 1 1 22 15 13 o 111.2814 11.21545 126.5090   24.96142 126.5090   24.96142 ?          ?        111.2814 11.21545 ?        ?        ?         ?        
1 1 1 22 15 14 o 54.06316 17.73301 31.20177   22.12490 31.20177   22.12490 ?          ?        54.06316 17.73301 ?        ?        ?         ?        
1 1 1 22 15 15 o 104.7983 10.28528 113.4610   21.55759 113.4610   21.55759 ?          ?        104.7983 10.28528 ?        ?        ?         ?        
1 1 1 22 16 0  o 147.8948 15.25091 226.3547   44.24979 226.3547   44.24979 226.3547   44.24979 147.8948 15.25091 147.8948 15.25091 -0.000000 0.000000 
1 1 1 22 16 1  o 278.0562 10.09925 775.5059   56.16319 775.5059   56.16319 ?          ?        278.0562 10.09925 ?        ?        ?         ?        
1 1 1 22 16 2  o 210.0870 9.181133 442.4978   38.57674 442.4978   38.57674 ?          ?        210.0870 9.181133 ?        ?        ?         ?        
1 1 1 22 16 3  o 229.3288 8.410794 527.0263   38.57674 527.0263   38.57674 ?          ?        229.3288 8.410794 ?        ?        ?         ?        
1 1 1 22 16 4  o 327.2256 9.795301 1073.908   64.10546 1073.908   64.10546 ?          ?        327.2256 9.795301 ?        ?        ?         ?        
1 1 1 22 16 5  o 428.9332 13.02756 1851.116   111.7591 1851.116   111.7591 ?          ?        428.9332 13.02756 ?        ?        ?         ?        
1 1 1 22 16 6  o 328.0887 11.15283 1081.283   73.18234 1081.283   73.18234 ?          ?        328.0887 11.15283 ?        ?        ?         ?        
1 1 1 22 16 7  o 218.8358 10.62875 481.0746   46.51900 481.0746   46.51900 ?          ?        218.8358 10.62875 ?        ?        ?         ?        
1 1 1 22 16 8  o 140.9614 13.28099 200.2587   37.44213 200.2587   37.44213 ?          ?        140.9614 13.28099 ?        ?        ?         ?        
1 1 1 22 16 9  o 222.9958 9.921664 500.3629   44.24979 500.3629   44.24979 ?          ?        222.9958 9.921664 ?        ?        ?         ?        
1 1 1 22 16 10 f 142.6347 10.93765 205.3644   31.20177 205.3644   31.20177 ?          ?        142.6347 10.93765 ?        ?        ?         ?        
1 1 1 22 16 11 f 196.0869 9.258015 388.6039   36.30752 388.6039   36.30752 ?          ?        196.0869 9.258015 ?        ?        ?         ?        
1 1 1 22 16 12 o 114.5090 10.65161 133.3167   24.39412 133.3167   24.39412 ?          ?        114.5090 10.65161 ?        ?        ?         ?        
1 1 1 22 16 13 o 200.6946 8.904131 408.4596   35.74022 408.4596   35.74022 ?          ?        200.6946 8.904131 ?        ?        ?         ?        
1 1 1 22 16 14 o 38.96138 16.23446 5.673049   20.99029 5.673049   20.99029 ?          ?        38.96138 16.23446 ?        ?        ?         ?        
1 1 1 22 16 15 o 58.24425 18.08651 38.00943   23.25950 38.00943   23.25950 ?          ?        58.24425 18.08651 ?        ?        ?         ?        
1 1 1 22 17 0  o 185.5638 11.40059 348.8925   41.98057 348.8925   41.98057 348.8925   41.98057 185.5638 11.40059 185.5638 11.40059 -0.000000 0.000000 
1 1 1 22 17 1  o 401.1204 10.11225 1613.983   81.12460 1613.983   81.12460 ?          ?        401.1204 10.11225 ?        ?        ?         ?        
1 1 1 22 17 2  o 71.29131 17.91237 53.32666   25.52872 53.32666   25.52872 ?          ?        71.29131 17.91237 ?        ?        ?         ?        
1 1 1 22 17 3  o 256.3777 8.297890 658.6411   42.54787 658.6411   42.54787 ?          ?        256.3777 8.297890 ?        ?        ?         ?        
1 1 1 22 17 4  f 457.6414 12.45826 2104.701   114.0283 2104.701   114.0283 ?          ?        457.6414 12.45826 ?        ?        ?         ?        
1 1 1 22 17 5  o 364.8521 11.42844 1337.705   83.39383 1337.705   83.39383 ?          ?        364.8521 11.42844 ?        ?        ?         ?        
1 1 1 22 17 6  o 309.6290 9.161045 961.5819   56.73050 961.5819   56.73050 ?          ?        309.6290 9.161045 ?        ?        ?         ?        
1 1 1 22 17 7  o 55.29292 21.61256 19.28837   34.60560 19.28837   34.60560 ?          ?        55.29292 21.61256 ?        ?        ?         ?        
1 1 1 22 17 8  o 205.0115 19.23194 427.7480   78.85539 427.7480   78.85539 ?          ?        205.0115 19.23194 ?        ?        ?         ?        
1 1 1 22 17 9  o 157.4597 11.52914 250.1815   36.30752 250.1815   36.30752 ?          ?        157.4597 11.52914 ?        ?        ?         ?        
1 1 1 22 17 10 o 91.92907 16.65750 89.06688   29.49986 89.06688   29.49986 ?          ?        91.92907 16.65750 ?        ?        ?         ?        
1 1 1 22 17 11 o 144.6168 10.78774 212.1721   31.20177 212.1721   31.20177 ?          ?        144.6168 10.78774 ?        ?        ?         ?        
1 1 1 22 17 12 o 126.7253 10.74396 163.3838   27.23064 163.3838   27.23064 ?          ?        126.7253 10.74396 ?        ?        ?         ?        
1 1 1 22 17 13 o 147.0337 9.838746 220.1143   28.93255 220.1143   28.93255 ?          ?        147.0337 9.838746 ?        ?        ?         ?        
1 1 1 22 17 14 f 166.9133 9.006821 284.2198   30.06716 284.2198   30.06716 ?          ?        166.9133 9.006821 ?        ?        ?         ?        
1 1 1 22 17 15 o 32.18361 15.03197 -18.72106  23.82681 -18.72106  23.82681 ?          ?        32.18361 15.03197 ?        ?        ?         ?        
1 1 1 22 18 0  o 299.3303 12.84394 903.1494   76.58617 903.1494   76.58617 903.1494   76.58617 299.3303 12.84394 299.3303 12.84394 -0.000000 0.000000 
1 1 1 22 18 1  o 266.0177 8.317077 709.1312   44.24979 709.1312   44.24979 ?          ?        266.0177 8.317077 ?        ?        ?         ?        
1 1 1 22 18 2  o 202.5844 8.541032 411.2961   34.60560 411.2961   34.60560 ?          ?        202.5844 8.541032 ?        ?        ?         ?        
1 1 1 22 18 3  o 98.76121 14.36052 98.14376   28.36525 98.14376   28.36525 ?          ?        98.76121 14.36052 ?        ?        ?         ?        
1 1 1 22 18 4  o 115.1209 13.30535 133.3167   30.63447 133.3167   30.63447 ?          ?        115.1209 13.30535 ?        ?        ?         ?        
1 1 1 22 18 5  o 145.7565 10.31417 213.3067   30.06716 213.3067   30.06716 ?          ?        145.7565 10.31417 ?        ?        ?         ?        
1 1 1 22 18 6  o 107.1256 15.35753 115.7302   32.90369 115.7302   32.90369 ?          ?        107.1256 15.35753 ?        ?        ?         ?        
1 1 1 22 18 7  o 108.1967 13.10819 117.9994   28.36525 117.9994   28.36525 ?          ?        108.1967 13.10819 ?        ?        ?         ?        
1 1 1 22 18 8  o 151.9491 18.10757 234.8643   55.02858 234.8643   55.02858 ?          ?        151.9491 18.10757 ?        ?        ?         ?        
1 1 1 22 18 9  o 254.6189 10.13765 652.9680   51.62476 652.9680   51.62476 ?          ?        254.6189 10.13765 ?        ?        ?         ?        
1 1 1 22 18 10 o 227.1100 11.99007 522.4879   54.46128 522.4879   54.46128 ?          ?        227.1100 11.99007 ?        ?        ?         ?        
1 1 1 22 18 11 o 52.64127 18.94699 24.96142   25.52872 24.96142   25.52872 ?          ?        52.64127 18.94699 ?        ?        ?         ?        
1 1 1 22 18 12 o 133.3950 10.41941 180.9703   27.79794 180.9703   27.79794 ?          ?        133.3950 10.41941 ?        ?        ?         ?        
1 1 1 22 18 13 o 134.5478 10.33014 184.9414   27.79794 184.9414   27.79794 ?          ?        134.5478 10.33014 ?        ?        ?         ?        
1 1 1 22 18 14 o 39.74723 16.73749 4.538440   22.69220 4.538440   22.69220 ?          ?        39.74723 16.73749 ?        ?        ?         ?        
1 1 1 22 18 15 o 39.20411 16.51873 5.105744   22.12490 5.105744   22.12490 ?          ?        39.20411 16.51873 ?        ?        ?         ?        
1 1 1 22 19 0  o 116.9629 18.59768 145.2301   40.84595 145.2301   40.84595 145.2301   40.84595 116.9629 18.59768 116.9629 18.59768 -0.000000 0.000000 
1 1 1 22 19 1  o 60.82461 20.07867 35.74022   28.36525 35.74022   28.36525 ?          ?        60.82461 20.07867 ?        ?        ?         ?        
1 1 1 22 19 2  o 397.9300 10.26461 1588.454   81.69191 1588.454   81.69191 ?          ?        397.9300 10.26461 ?        ?        ?         ?        
1 1 1 22 19 3  f 100.7771 13.22887 102.1149   26.66333 102.1149   26.66333 ?          ?        100.7771 13.22887 ?        ?        ?         ?        
1 1 1 22 19 4  o 243.7909 7.911850 595.6702   38.57674 595.6702   38.57674 ?          ?        243.7909 7.911850 ?        ?        ?         ?        
1 1 1 22 19 5  o 138.7959 10.62706 193.4510   29.49986 193.4510   29.49986 ?          ?        138.7959 10.62706 ?        ?        ?         ?        
1 1 1 22 19 6  o 332.6320 10.31830 1110.783   68.64390 1110.783   68.64390 ?          ?        332.6320 10.31830 ?        ?        ?         ?        
1 1 1 22 19 7  f 183.3322 9.592672 337.5464   35.17290 337.5464   35.17290 ?          ?        183.3322 9.592672 ?        ?        ?         ?        
1 1 1 22 19 8  o 113.3943 13.75809 129.9128   31.20177 129.9128   31.20177 ?          ?        113.3943 13.75809 ?        ?        ?         ?        
1 1 1 22 19 9  o 55.09584 21.31261 20.99029   33.47099 20.99029   33.47099 ?          ?        55.09584 21.31261 ?        ?        ?         ?        
1 1 1 22 19 10 o 36.98533 17.30678 -29.49986  31.76908 -29.49986  31.76908 ?          ?        36.98533 17.30678 ?        ?        ?         ?        
1 1 1 22 19 11 o 121.9476 12.32790 151.4704   30.06716 151.4704   30.06716 ?          ?        121.9476 12.32790 ?        ?        ?         ?        
1 1 1 22 19 12 o 273.3713 8.819674 756.7847   48.22092 756.7847   48.22092 ?          ?        273.3713 8.819674 ?        ?        ?         ?        
1 1 1 22 19 13 o 215.7163 8.415571 472.5651   36.30752 472.5651   36.30752 ?          ?        215.7163 8.415571 ?        ?        ?         ?        
1 1 1 22 19 14 o 73.81625 15.12321 59.56702   21.55759 59.56702   21.55759 ?          ?        73.81625 15.12321 ?        ?        ?         ?        
1 1 1 22 19 15 o 76.08347 16.14720 64.67276   23.82681 64.67276   23.82681 ?          ?        76.08347 16.14720 ?        ?        ?         ?        
1 1 1 22 20 0  o 96.02059 20.12194 103.8168   34.03830 103.8168   34.03830 103.8168   34.03830 96.02059 20.12194 96.02059 20.12194 -0.000000 0.000000 
1 1 1 22 20 1  o 362.5216 8.841605 1317.282   64.10546 1317.282   64.10546 ?          ?        362.5216 8.841605 ?        ?        ?         ?        
1 1 1 22 20 2  o 326.3692 8.778067 1067.668   57.29780 1067.668   57.29780 ?          ?        326.3692 8.778067 ?        ?        ?         ?        
1 1 1 22 20 3  o 156.0061 8.363785 243.9411   26.09603 243.9411   26.09603 ?          ?        156.0061 8.363785 ?        ?        ?         ?        
1 1 1 22 20 4  o 264.3538 8.262124 700.6216   43.68248 700.6216   43.68248 ?          ?        264.3538 8.262124 ?        ?        ?         ?        
1 1 1 22 20 5  f 68.72305 18.84332 49.35553   26.66333 49.35553   26.66333 ?          ?        68.72305 18.84332 ?        ?        ?         ?        
1 1 1 22 20 6  o 329.2212 9.994401 1088.091   65.80738 1088.091   65.80738 ?          ?        329.2212 9.994401 ?        ?        ?         ?        
1 1 1 22 20 7  o 99.98973 15.03513 100.9803   30.06716 100.9803   30.06716 ?          ?        99.98973 15.03513 ?        ?        ?         ?        
1 1 1 22 20 8  o 151.5934 11.41396 231.4604   34.60560 231.4604   34.60560 ?          ?        151.5934 11.41396 ?        ?        ?         ?        
1 1 1 22 20 9  o 221.1323 10.13355 492.4207   44.81709 492.4207   44.81709 ?          ?        221.1323 10.13355 ?        ?        ?         ?        
1 1 1 22 20 10 o 144.7407 10.58254 211.6048   30.63447 211.6048   30.63447 ?          ?        144.7407 10.58254 ?        ?        ?         ?        
1 1 1 22 20 11 o 112.9725 13.30729 130.4801   30.06716 130.4801   30.06716 ?          ?        112.9725 13.30729 ?        ?        ?         ?        
1 1 1 22 20 12 o 77.89404 19.65259 66.94199   30.63447 66.94199   30.63447 ?          ?        77.89404 19.65259 ?        ?        ?         ?        
1 1 1 22 20 13 o 98.36861 13.84112 100.9803   27.23064 100.9803   27.23064 ?          ?        98.36861 13.84112 ?        ?        ?         ?        
1 1 1 22 20 14 o 146.8174 10.23965 221.8162   30.06716 221.8162   30.06716 ?          ?        146.8174 10.23965 ?        ?        ?         ?        
1 1 1 22 20 15 o 108.9261 10.67674 123.1052   23.25950 123.1052   23.25950 ?          ?        108.9261 10.67674 ?        ?        ?         ?        
1 1 1 22 21 0  o 59.75331 25.39940 51.05745   30.63447 51.05745   30.63447 51.05745   30.63447 59.75331 25.39940 59.75331 25.39940 -0.000000 0.000000 
1 1 1 22 21 1  o 306.6288 8.510624 942.2936   52.19205 942.2936   52.19205 ?          ?        306.6288 8.510624 ?        ?        ?         ?        
1 1 1 22 21 2  o 508.2477 11.60846 2594.286   117.9994 2594.286   117.9994 ?          ?        508.2477 11.60846 ?        ?        ?         ?        
1 1 1 22 21 3  o 218.0926 7.283392 476.5362   31.76908 476.5362   31.76908 ?          ?        218.0926 7.283392 ?        ?        ?         ?        
1 1 1 22 21 4  o 138.4354 9.630242 192.3164   26.66333 192.3164   26.66333 ?          ?        138.4354 9.630242 ?        ?        ?         ?        
1 1 1 22 21 5  o 74.52837 18.05302 58.43241   26.66333 58.43241   26.66333 ?          ?        74.52837 18.05302 ?        ?        ?         ?        
1 1 1 22 21 6  o 236.1870 10.56850 560.4974   49.92284 560.4974   49.92284 ?          ?        236.1870 10.56850 ?        ?        ?         ?        
1 1 1 22 21 7  o 233.2159 8.757113 545.7473   40.84595 545.7473   40.84595 ?          ?        233.2159 8.757113 ?        ?        ?         ?        
1 1 1 22 21 8  o 168.4176 10.10533 285.3544   34.03830 285.3544   34.03830 ?          ?        168.4176 10.10533 ?        ?        ?         ?        
1 1 1 22 21 9  o 131.9715 11.82140 175.8645   31.20177 175.8645   31.20177 ?          ?        131.9715 11.82140 ?        ?        ?         ?        
1 1 1 22 21 10 o 329.3545 14.12430 1106.812   93.03801 1106.812   93.03801 ?          ?        329.3545 14.12430 ?        ?        ?         ?        
1 1 1 22 21 11 o 70.11805 19.51924 53.32666   28.36525 53.32666   28.36525 ?          ?        70.11805 19.51924 ?        ?        ?         ?        
1 1 1 22 21 12 o 145.0078 10.17182 213.8740   29.49986 213.8740   29.49986 ?          ?        145.0078 10.17182 ?        ?        ?         ?        
1 1 1 22 21 13 o 62.19862 18.36247 42.54787   24.39412 42.54787   24.39412 ?          ?        62.19862 18.36247 ?        ?        ?         ?        
1 1 1 22 21 14 o 166.0379 9.054307 281.9506   30.06716 281.9506   30.06716 ?          ?        166.0379 9.054307 ?        ?        ?         ?        
1 1 1 22 21 15 o 120.5566 11.05843 151.4704   26.66333 151.4704   26.66333 ?          ?        120.5566 11.05843 ?        ?        ?         ?        
1 1 1 22 22 0  o 41.29073 25.21023 16.45185   38.57674 16.45185   38.57674 16.45185   38.57674 41.29073 25.21023 41.29073 25.21023 -0.000000 0.000000 
1 1 1 22 22 1  o 463.6482 10.58386 2157.461   98.14376 2157.461   98.14376 ?          ?        463.6482 10.58386 ?        ?        ?         ?        
1 1 1 22 22 2  o 423.6637 10.10979 1801.193   85.66305 1801.193   85.66305 ?          ?        423.6637 10.10979 ?        ?        ?         ?        
1 1 1 22 22 3  o 149.6523 9.097972 224.6528   27.23064 224.6528   27.23064 ?          ?        149.6523 9.097972 ?        ?        ?         ?        
1 1 1 22 22 4  o 180.2310 8.183902 325.6331   29.49986 325.6331   29.49986 ?          ?        180.2310 8.183902 ?        ?        ?         ?        
1 1 1 22 22 5  o 144.3779 10.80559 209.3355   31.20177 209.3355   31.20177 ?          ?        144.3779 10.80559 ?        ?        ?         ?        
1 1 1 22 22 6  o 141.5707 10.21841 201.3933   28.93255 201.3933   28.93255 ?          ?        141.5707 10.21841 ?        ?        ?         ?        
1 1 1 22 22 7  o 305.7247 8.906915 938.3224   54.46128 938.3224   54.46128 ?          ?        305.7247 8.906915 ?        ?        ?         ?        
1 1 1 22 22 8  o 258.0061 9.234979 669.4198   47.65361 669.4198   47.65361 ?          ?        258.0061 9.234979 ?        ?        ?         ?        
1 1 1 22 22 9  o 193.7638 9.076232 377.8251   35.17290 377.8251   35.17290 ?          ?        193.7638 9.076232 ?        ?        ?         ?        
1 1 1 22 22 10 o 236.3209 11.16265 566.7377   52.75936 566.7377   52.75936 ?          ?        236.3209 11.16265 ?        ?        ?         ?        
1 1 1 22 22 11 o 112.0831 13.15981 128.7782   29.49986 128.7782   29.49986 ?          ?        112.0831 13.15981 ?        ?        ?         ?        
1 1 1 22 22 12 o 103.5244 16.98775 112.3264   35.17290 112.3264   35.17290 ?          ?        103.5244 16.98775 ?        ?        ?         ?        
1 1 1 22 22 13 o 156.0896 9.267931 248.4796   28.93255 248.4796   28.93255 ?          ?        156.0896 9.267931 ?        ?        ?         ?        
1 1 1 22 22 14 f 124.4657 12.53429 161.6819   31.20177 161.6819   31.20177 ?          ?        124.4657 12.53429 ?        ?        ?         ?        
1 1 1 22 22 15 o 47.34057 17.74475 20.99029   22.69220 20.99029   22.69220 ?          ?        47.34057 17.74475 ?        ?        ?         ?        
1 1 1 22 23 0  o 193.7917 11.20222 380.0943   43.11518 380.0943   43.11518 380.0943   43.11518 193.7917 11.20222 193.7917 11.20222 -0.000000 0.000000 
1 1 1 22 23 1  o 103.8338 12.01989 108.3553   24.96142 108.3553   24.96142 ?          ?        103.8338 12.01989 ?        ?        ?         ?        
1 1 1 22 23 2  o 77.80660 16.87943 63.53815   25.52872 63.53815   25.52872 ?          ?        77.80660 16.87943 ?        ?        ?         ?        
1 1 1 22 23 3  o 131.2951 9.937932 173.0280   26.09603 173.0280   26.09603 ?          ?        131.2951 9.937932 ?        ?        ?         ?        
1 1 1 22 23 4  o 232.0415 7.456769 539.5070   34.60560 539.5070   34.60560 ?          ?        232.0415 7.456769 ?        ?        ?         ?        
1 1 1 22 23 5  o 60.90540 20.27845 35.74022   28.93255 35.74022   28.93255 ?          ?        60.90540 20.27845 ?        ?        ?         ?        
1 1 1 22 23 6  o 155.5120 9.302352 242.8065   28.93255 242.8065   28.93255 ?          ?        155.5120 9.302352 ?        ?        ?         ?        
1 1 1 22 23 7  o 107.0509 13.51346 115.7302   28.93255 115.7302   28.93255 ?          ?        107.0509 13.51346 ?        ?        ?         ?        
1 1 1 22 23 8  o 323.3548 9.210783 1051.783   59.56702 1051.783   59.56702 ?          ?        323.3548 9.210783 ?        ?        ?         ?        
1 1 1 22 23 9  o 126.3152 10.55429 161.1146   26.66333 161.1146   26.66333 ?          ?        126.3152 10.55429 ?        ?        ?         ?        
1 1 1 22 23 10 o 225.6548 10.93607 516.8148   49.35553 516.8148   49.35553 ?          ?        225.6548 10.93607 ?        ?        ?         ?        
1 1 1 22 23 11 o 103.3388 16.74377 111.1918   34.60560 111.1918   34.60560 ?          ?        103.3388 16.74377 ?        ?        ?         ?        
1 1 1 22 23 12 o 130.7727 11.27906 174.7299   29.49986 174.7299   29.49986 ?          ?        130.7727 11.27906 ?        ?        ?         ?        
1 1 1 22 23 13 o 82.08744 18.10907 75.45156   28.93255 75.45156   28.93255 ?          ?        82.08744 18.10907 ?        ?        ?         ?        
1 1 1 22 23 14 o 42.90741 17.65758 9.644185   24.39412 9.644185   24.39412 ?          ?        42.90741 17.65758 ?        ?        ?         ?        
1 1 1 22 23 15 f 32.95858 15.10549 -12.48071  22.69220 -12.48071  22.69220 ?          ?        32.95858 15.10549 ?        ?        ?         ?        
1 1 1 22 24 0  o 76.81536 24.40921 74.88425   32.90369 74.88425   32.90369 74.88425   32.90369 76.81536 24.40921 76.81536 24.40921 -0.000000 0.000000 
1 1 1 22 24 1  o 228.5844 7.569545 523.6225   34.60560 523.6225   34.60560 ?          ?        228.5844 7.569545 ?        ?        ?         ?        
1 1 1 22 24 2  o 133.4476 9.565077 178.7011   25.52872 178.7011   25.52872 ?          ?        133.4476 9.565077 ?        ?        ?         ?        
1 1 1 22 24 3  o 137.8270 9.672756 190.6145   26.66333 190.6145   26.66333 ?          ?        137.8270 9.672756 ?        ?        ?         ?        
1 1 1 22 24 4  o 100.2584 11.31685 100.9803   22.69220 100.9803   22.69220 ?          ?        100.2584 11.31685 ?        ?        ?         ?        
1 1 1 22 24 5  o 128.6208 10.58563 166.2204   27.23064 166.2204   27.23064 ?          ?        128.6208 10.58563 ?        ?        ?         ?        
1 1 1 22 24 6  o 169.1351 8.888505 287.0563   30.06716 287.0563   30.06716 ?          ?        169.1351 8.888505 ?        ?        ?         ?        
1 1 1 22 24 7  o 37.59767 16.50681 -5.673049  23.82681 -5.673049  23.82681 ?          ?        37.59767 16.50681 ?        ?        ?         ?        
1 1 1 22 24 8  o 152.6140 9.293138 234.2970   28.36525 234.2970   28.36525 ?          ?        152.6140 9.293138 ?        ?        ?         ?        
1 1 1 22 24 9  o 52.35841 18.74618 24.39412   24.96142 24.39412   24.96142 ?          ?        52.35841 18.74618 ?        ?        ?         ?        
1 1 1 22 24 10 o 250.8391 8.933434 635.3815   44.81709 635.3815   44.81709 ?          ?        250.8391 8.933434 ?        ?        ?         ?        
1 1 1 22 24 11 o 215.3776 8.692206 469.1612   37.44213 469.1612   37.44213 ?          ?        215.3776 8.692206 ?        ?        ?         ?        
1 1 1 22 24 12 o 122.0994 13.93877 154.3070   34.03830 154.3070   34.03830 ?          ?        122.0994 13.93877 ?        ?        ?         ?        
1 1 1 22 24 13 o 90.19067 14.15264 85.66305   25.52872 85.66305   25.52872 ?          ?        90.19067 14.15264 ?        ?        ?         ?        
1 1 1 22 24 14 o 184.2157 8.930751 347.7579   32.90369 347.7579   32.90369 ?          ?        184.2157 8.930751 ?        ?        ?         ?        
1 1 1 22 25 0  o 357.4409 12.49235 1286.080   89.06688 1286.080   89.06688 1286.080   89.06688 357.4409 12.49235 357.4409 12.49235 -0.000000 0.000000 
1 1 1 22 25 1  o 118.1014 11.04814 140.1243   26.09603 140.1243   26.09603 ?          ?        118.1014 11.04814 ?        ?        ?         ?        
1 1 1 22 25 2  o 87.53739 13.60950 77.15348   23.82681 77.15348   23.82681 ?          ?        87.53739 13.60950 ?        ?        ?         ?        
1 1 1 22 25 3  o 210.3877 7.954599 443.6324   33.47099 443.6324   33.47099 ?          ?        210.3877 7.954599 ?        ?        ?         ?        
1 1 1 22 25 4  o 263.9666 7.736957 698.3524   40.84595 698.3524   40.84595 ?          ?        263.9666 7.736957 ?        ?        ?         ?        
1 1 1 22 25 5  o 92.68059 14.99664 86.79766   27.79794 86.79766   27.79794 ?          ?        92.68059 14.99664 ?        ?        ?         ?        
1 1 1 22 25 6  o 220.3077 7.853926 486.7477   34.60560 486.7477   34.60560 ?          ?        220.3077 7.853926 ?        ?        ?         ?        
1 1 1 22 25 7  o 59.45798 18.01147 36.30752   23.25950 36.30752   23.25950 ?          ?        59.45798 18.01147 ?        ?        ?         ?        
1 1 1 22 25 8  o 36.97872 16.42097 -8.509575  24.39412 -8.509575  24.39412 ?          ?        36.97872 16.42097 ?        ?        ?         ?        
1 1 1 22 25 9  o 62.62894 17.75410 41.41326   23.25950 41.41326   23.25950 ?          ?        62.62894 17.75410 ?        ?        ?         ?        
1 1 1 22 25 10 o 120.2625 9.906165 146.3647   23.82681 146.3647   23.82681 ?          ?        120.2625 9.906165 ?        ?        ?         ?        
1 1 1 22 25 11 o 63.24299 18.54429 43.11518   24.96142 43.11518   24.96142 ?          ?        63.24299 18.54429 ?        ?        ?         ?        
1 1 1 22 25 12 o 193.2544 11.30181 382.9308   43.68248 382.9308   43.68248 ?          ?        193.2544 11.30181 ?        ?        ?         ?        
1 1 1 22 25 13 o 68.75785 19.38264 53.32666   27.79794 53.32666   27.79794 ?          ?        68.75785 19.38264 ?        ?        ?         ?        
1 1 1 22 25 14 o 60.13348 18.49203 40.84595   24.39412 40.84595   24.39412 ?          ?        60.13348 18.49203 ?        ?        ?         ?        
1 1 1 22 26 0  o 171.7577 12.68927 300.6716   43.11518 300.6716   43.11518 300.6716   43.11518 171.7577 12.68927 171.7577 12.68927 -0.000000 0.000000 
1 1 1 22 26 1  o 165.8141 8.724393 275.7102   28.93255 275.7102   28.93255 ?          ?        165.8141 8.724393 ?        ?        ?         ?        
1 1 1 22 26 2  o 194.3065 7.883028 378.3924   30.63447 378.3924   30.63447 ?          ?        194.3065 7.883028 ?        ?        ?         ?        
1 1 1 22 26 3  o 140.4894 9.287541 197.9895   26.09603 197.9895   26.09603 ?          ?        140.4894 9.287541 ?        ?        ?         ?        
1 1 1 22 26 4  o 127.2989 10.69555 162.8165   27.23064 162.8165   27.23064 ?          ?        127.2989 10.69555 ?        ?        ?         ?        
1 1 1 22 26 5  o 50.85559 18.49967 21.55759   24.39412 21.55759   24.39412 ?          ?        50.85559 18.49967 ?        ?        ?         ?        
1 1 1 22 26 6  o 441.9385 10.52613 1964.577   93.03801 1964.577   93.03801 ?          ?        441.9385 10.52613 ?        ?        ?         ?        
1 1 1 22 26 7  o 58.69590 18.81325 34.60560   24.96142 34.60560   24.96142 ?          ?        58.69590 18.81325 ?        ?        ?         ?        
1 1 1 22 26 8  o 47.27971 18.38109 14.74993   24.96142 14.74993   24.96142 ?          ?        47.27971 18.38109 ?        ?        ?         ?        
1 1 1 22 26 9  o 42.33148 17.30118 7.374964   23.25950 7.374964   23.25950 ?          ?        42.33148 17.30118 ?        ?        ?         ?        
1 1 1 22 26 10 o 32.60834 14.93264 -14.74993  22.12490 -14.74993  22.12490 ?          ?        32.60834 14.93264 ?        ?        ?         ?        
1 1 1 22 26 11 o 156.8965 9.943423 250.1815   31.20177 250.1815   31.20177 ?          ?        156.8965 9.943423 ?        ?        ?         ?        
1 1 1 22 26 12 o 71.39174 20.16893 57.29780   30.06716 57.29780   30.06716 ?          ?        71.39174 20.16893 ?        ?        ?         ?        
1 1 1 22 26 13 o 94.47487 12.91037 93.03801   24.39412 93.03801   24.39412 ?          ?        94.47487 12.91037 ?        ?        ?         ?        
1 1 1 22 26 14 o 131.3558 10.58116 178.7011   27.79794 178.7011   27.79794 ?          ?        131.3558 10.58116 ?        ?        ?         ?        
1 1 1 22 27 0  o 106.3214 19.44404 123.6725   37.44213 123.6725   37.44213 123.6725   37.44213 106.3214 19.44404 106.3214 19.44404 -0.000000 0.000000 
1 1 1 22 27 1  o 167.5037 8.975077 281.3832   30.06716 281.3832   30.06716 ?          ?        167.5037 8.975077 ?        ?        ?         ?        
1 1 1 22 27 2  o 169.5397 8.532678 288.1909   28.93255 288.1909   28.93255 ?          ?        169.5397 8.532678 ?        ?        ?         ?        
1 1 1 22 27 3  o 151.3315 9.184456 229.7585   27.79794 229.7585   27.79794 ?          ?        151.3315 9.184456 ?        ?        ?         ?        
1 1 1 22 27 4  o 223.8911 9.121834 503.1995   40.84595 503.1995   40.84595 ?          ?        223.8911 9.121834 ?        ?        ?         ?        
1 1 1 22 27 5  o 195.0246 7.272224 381.2289   28.36525 381.2289   28.36525 ?          ?        195.0246 7.272224 ?        ?        ?         ?        
1 1 1 22 27 6  o 253.7828 7.712114 646.1603   39.14404 646.1603   39.14404 ?          ?        253.7828 7.712114 ?        ?        ?         ?        
1 1 1 22 27 7  o 211.9387 7.628711 451.0074   32.33638 451.0074   32.33638 ?          ?        211.9387 7.628711 ?        ?        ?         ?        
1 1 1 22 27 8  o 152.4261 8.374130 233.7296   25.52872 233.7296   25.52872 ?          ?        152.4261 8.374130 ?        ?        ?         ?        
1 1 1 22 27 9  o 38.97847 16.58937 1.134610   22.69220 1.134610   22.69220 ?          ?        38.97847 16.58937 ?        ?        ?         ?        
1 1 1 22 27 10 o 189.6109 7.629455 362.5079   28.93255 362.5079   28.93255 ?          ?        189.6109 7.629455 ?        ?        ?         ?        
1 1 1 22 27 11 o 35.63649 15.82974 -6.807660  22.69220 -6.807660  22.69220 ?          ?        35.63649 15.82974 ?        ?        ?         ?        
1 1 1 22 27 12 o 79.07497 14.89452 67.50929   22.69220 67.50929   22.69220 ?          ?        79.07497 14.89452 ?        ?        ?         ?        
1 1 1 22 27 13 o 48.46473 18.00490 21.55759   23.25950 21.55759   23.25950 ?          ?        48.46473 18.00490 ?        ?        ?         ?        
1 1 1 22 27 14 o 103.8423 13.38469 114.0283   27.79794 114.0283   27.79794 ?          ?        103.8423 13.38469 ?        ?        ?         ?        
1 1 1 22 28 0  o 263.2779 12.23103 699.4871   64.10546 699.4871   64.10546 699.4871   64.10546 263.2779 12.23103 263.2779 12.23103 -0.000000 0.000000 
1 1 1 22 28 1  o 59.78030 18.25392 36.30752   23.82681 36.30752   23.82681 ?          ?        59.78030 18.25392 ?        ?        ?         ?        
1 1 1 22 28 2  o 232.6290 7.559873 542.3435   35.17290 542.3435   35.17290 ?          ?        232.6290 7.559873 ?        ?        ?         ?        
1 1 1 22 28 3  o 167.8014 8.790112 282.5179   29.49986 282.5179   29.49986 ?          ?        167.8014 8.790112 ?        ?        ?         ?        
1 1 1 22 28 4  o 330.8893 10.11546 1100.004   66.94199 1100.004   66.94199 ?          ?        330.8893 10.11546 ?        ?        ?         ?        
1 1 1 22 28 5  o 136.3085 9.572411 186.6433   26.09603 186.6433   26.09603 ?          ?        136.3085 9.572411 ?        ?        ?         ?        
1 1 1 22 28 6  o 392.6670 9.752052 1550.444   76.58617 1550.444   76.58617 ?          ?        392.6670 9.752052 ?        ?        ?         ?        
1 1 1 22 28 7  o 94.73757 12.87457 90.76879   24.39412 90.76879   24.39412 ?          ?        94.73757 12.87457 ?        ?        ?         ?        
1 1 1 22 28 8  o 105.7981 12.33294 113.4610   26.09603 113.4610   26.09603 ?          ?        105.7981 12.33294 ?        ?        ?         ?        
1 1 1 22 28 9  o 184.8722 8.592172 344.9214   31.76908 344.9214   31.76908 ?          ?        184.8722 8.592172 ?        ?        ?         ?        
1 1 1 22 28 10 o 182.1620 8.408579 335.2772   30.63447 335.2772   30.63447 ?          ?        182.1620 8.408579 ?        ?        ?         ?        
1 1 1 22 28 11 o 65.41090 17.13969 46.51900   22.69220 46.51900   22.69220 ?          ?        65.41090 17.13969 ?        ?        ?         ?        
1 1 1 22 28 12 o 31.17797 14.67182 -23.82681  23.82681 -23.82681  23.82681 ?          ?        31.17797 14.67182 ?        ?        ?         ?        
1 1 1 22 28 13 o 56.76802 20.37384 32.90369   29.49986 32.90369   29.49986 ?          ?        56.76802 20.37384 ?        ?        ?         ?        
1 1 1 22 28 14 o 121.4090 10.74716 153.1723   26.09603 153.1723   26.09603 ?          ?        121.4090 10.74716 ?        ?        ?         ?        
1 1 1 22 29 0  o 133.6765 14.96577 186.0760   39.14404 186.0760   39.14404 186.0760   39.14404 133.6765 14.96577 133.6765 14.96577 -0.000000 0.000000 
1 1 1 22 29 1  o 100.4785 12.13898 101.5476   24.39412 101.5476   24.39412 ?          ?        100.4785 12.13898 ?        ?        ?         ?        
1 1 1 22 29 2  o 155.9311 8.731624 243.9411   27.23064 243.9411   27.23064 ?          ?        155.9311 8.731624 ?        ?        ?         ?        
1 1 1 22 29 3  o 147.2751 9.630021 217.8451   28.36525 217.8451   28.36525 ?          ?        147.2751 9.630021 ?        ?        ?         ?        
1 1 1 22 29 4  o 219.9675 7.479216 485.0457   32.90369 485.0457   32.90369 ?          ?        219.9675 7.479216 ?        ?        ?         ?        
1 1 1 22 29 5  o 41.95668 17.49313 3.971134   24.39412 3.971134   24.39412 ?          ?        41.95668 17.49313 ?        ?        ?         ?        
1 1 1 22 29 6  o 427.4612 10.08634 1839.770   86.23035 1839.770   86.23035 ?          ?        427.4612 10.08634 ?        ?        ?         ?        
1 1 1 22 29 7  o 93.87120 12.38905 89.06688   23.25950 89.06688   23.25950 ?          ?        93.87120 12.38905 ?        ?        ?         ?        
1 1 1 22 29 8  o 97.26855 12.24795 95.87454   23.82681 95.87454   23.82681 ?          ?        97.26855 12.24795 ?        ?        ?         ?        
1 1 1 22 29 9  o 64.12106 21.24926 41.98057   31.76908 41.98057   31.76908 ?          ?        64.12106 21.24926 ?        ?        ?         ?        
1 1 1 22 29 10 o 209.7483 7.437908 443.6324   31.20177 443.6324   31.20177 ?          ?        209.7483 7.437908 ?        ?        ?         ?        
1 1 1 22 29 11 o 38.44325 16.69206 -1.701915  23.82681 -1.701915  23.82681 ?          ?        38.44325 16.69206 ?        ?        ?         ?        
1 1 1 22 29 12 o 50.89683 18.10849 25.52872   23.25950 25.52872   23.25950 ?          ?        50.89683 18.10849 ?        ?        ?         ?        
1 1 1 22 29 13 o 137.1320 9.514927 192.8837   26.09603 192.8837   26.09603 ?          ?        137.1320 9.514927 ?        ?        ?         ?        
1 1 1 22 29 14 o 59.48867 17.74440 40.27865   22.69220 40.27865   22.69220 ?          ?        59.48867 17.74440 ?        ?        ?         ?        
1 1 1 22 30 0  o 470.9231 15.88095 2237.451   149.2012 2237.451   149.2012 2237.451   149.2012 470.9231 15.88095 470.9231 15.88095 -0.000000 0.000000 
1 1 1 22 30 1  o 149.5937 9.291148 224.6528   27.79794 224.6528   27.79794 ?          ?        149.5937 9.291148 ?        ?        ?         ?        
1 1 1 22 30 2  o 222.6402 7.389431 496.9591   32.90369 496.9591   32.90369 ?          ?        222.6402 7.389431 ?        ?        ?         ?        
1 1 1 22 30 3  o 71.14789 17.28872 53.32666   24.39412 53.32666   24.39412 ?          ?        71.14789 17.28872 ?        ?        ?         ?        
1 1 1 22 30 4  o 122.9101 11.30824 152.0377   27.79794 152.0377   27.79794 ?          ?        122.9101 11.30824 ?        ?        ?         ?        
1 1 1 22 30 5  o 318.9149 8.449587 1021.149   53.89397 1021.149   53.89397 ?          ?        318.9149 8.449587 ?        ?        ?         ?        
1 1 1 22 30 6  o 79.50134 15.53939 66.37468   23.82681 66.37468   23.82681 ?          ?        79.50134 15.53939 ?        ?        ?         ?        
1 1 1 22 30 7  o 78.66669 15.70000 65.24007   23.82681 65.24007   23.82681 ?          ?        78.66669 15.70000 ?        ?        ?         ?        
1 1 1 22 30 8  o 242.4041 7.489048 591.1317   36.30752 591.1317   36.30752 ?          ?        242.4041 7.489048 ?        ?        ?         ?        
1 1 1 22 30 9  o 56.19223 21.15875 26.09603   32.33638 26.09603   32.33638 ?          ?        56.19223 21.15875 ?        ?        ?         ?        
1 1 1 22 30 10 o 170.9148 7.800181 294.9986   26.66333 294.9986   26.66333 ?          ?        170.9148 7.800181 ?        ?        ?         ?        
1 1 1 22 30 11 o 61.33883 18.15947 40.84595   23.82681 40.84595   23.82681 ?          ?        61.33883 18.15947 ?        ?        ?         ?        
1 1 1 22 30 12 o 170.0100 8.008541 293.8640   27.23064 293.8640   27.23064 ?          ?        170.0100 8.008541 ?        ?        ?         ?        
1 1 1 22 30 13 o 51.57868 20.29141 22.12490   30.63447 22.12490   30.63447 ?          ?        51.57868 20.29141 ?        ?        ?         ?        
1 1 1 22 30 14 o 51.84619 17.50419 28.93255   21.55759 28.93255   21.55759 ?          ?        51.84619 17.50419 ?        ?        ?         ?        
1 1 1 22 31 0  o 451.9832 15.28836 2061.019   137.8551 2061.019   137.8551 2061.019   137.8551 451.9832 15.28836 451.9832 15.28836 -0.000000 0.000000 
1 1 1 22 31 1  o 310.1233 8.506191 964.9858   52.75936 964.9858   52.75936 ?          ?        310.1233 8.506191 ?        ?        ?         ?        
1 1 1 22 31 2  o 222.0009 7.666251 494.1226   34.03830 494.1226   34.03830 ?          ?        222.0009 7.666251 ?        ?        ?         ?        
1 1 1 22 31 3  o 349.7289 8.921703 1227.648   62.40355 1227.648   62.40355 ?          ?        349.7289 8.921703 ?        ?        ?         ?        
1 1 1 22 31 4  o 255.7761 7.762912 656.3718   39.71135 656.3718   39.71135 ?          ?        255.7761 7.762912 ?        ?        ?         ?        
1 1 1 22 31 5  o 160.0940 8.681757 257.5565   27.79794 257.5565   27.79794 ?          ?        160.0940 8.681757 ?        ?        ?         ?        
1 1 1 22 31 6  o 110.7293 11.27137 123.6725   24.96142 123.6725   24.96142 ?          ?        110.7293 11.27137 ?        ?        ?         ?        
1 1 1 22 31 7  o 121.3638 10.05000 148.6339   24.39412 148.6339   24.39412 ?          ?        121.3638 10.05000 ?        ?        ?         ?        
1 1 1 22 31 8  o 168.0135 8.441362 284.7871   28.36525 284.7871   28.36525 ?          ?        168.0135 8.441362 ?        ?        ?         ?        
1 1 1 22 31 9  o 125.4196 9.724998 159.4127   24.39412 159.4127   24.39412 ?          ?        125.4196 9.724998 ?        ?        ?         ?        
1 1 1 22 31 10 o 63.47961 17.96099 43.68248   23.82681 43.68248   23.82681 ?          ?        63.47961 17.96099 ?        ?        ?         ?        
1 1 1 22 31 11 o 118.1292 9.604821 142.3935   22.69220 142.3935   22.69220 ?          ?        118.1292 9.604821 ?        ?        ?         ?        
1 1 1 22 31 12 o 184.0155 7.861444 343.7868   28.93255 343.7868   28.93255 ?          ?        184.0155 7.861444 ?        ?        ?         ?        
1 1 1 22 31 13 f 81.88373 15.11723 73.74965   23.82681 73.74965   23.82681 ?          ?        81.88373 15.11723 ?        ?        ?         ?        
1 1 1 22 32 0  o 259.4937 11.30516 679.0640   58.43241 679.0640   58.43241 679.0640   58.43241 259.4937 11.30516 259.4937 11.30516 -0.000000 0.000000 
1 1 1 22 32 1  o 243.2731 7.812091 593.4010   38.00943 593.4010   38.00943 ?          ?        243.2731 7.812091 ?        ?        ?         ?        
1 1 1 22 32 2  o 194.1151 7.598547 377.8251   29.49986 377.8251   29.49986 ?          ?        194.1151 7.598547 ?        ?        ?         ?        
1 1 1 22 32 3  o 169.0667 8.892102 287.0563   30.06716 287.0563   30.06716 ?          ?        169.0667 8.892102 ?        ?        ?         ?        
1 1 1 22 32 4  o 491.2581 11.43252 2431.469   112.3264 2431.469   112.3264 ?          ?        491.2581 11.43252 ?        ?        ?         ?        
1 1 1 22 32 5  o 99.29894 13.42579 99.84568   26.66333 99.84568   26.66333 ?          ?        99.29894 13.42579 ?        ?        ?         ?        
1 1 1 22 32 6  o 130.1967 10.02177 170.7588   26.09603 170.7588   26.09603 ?          ?        130.1967 10.02177 ?        ?        ?         ?        
1 1 1 22 32 7  o 64.47605 18.97871 43.68248   26.09603 43.68248   26.09603 ?          ?        64.47605 18.97871 ?        ?        ?         ?        
1 1 1 22 32 8  o 273.0197 7.895982 751.1118   43.11518 751.1118   43.11518 ?          ?        273.0197 7.895982 ?        ?        ?         ?        
1 1 1 22 32 9  o 148.7373 8.391110 223.5181   24.96142 223.5181   24.96142 ?          ?        148.7373 8.391110 ?        ?        ?         ?        
1 1 1 22 32 10 o 219.5650 7.622114 486.7477   33.47099 486.7477   33.47099 ?          ?        219.5650 7.622114 ?        ?        ?         ?        
1 1 1 22 32 11 f 99.09282 12.30872 101.5476   24.39412 101.5476   24.39412 ?          ?        99.09282 12.30872 ?        ?        ?         ?        
1 1 1 22 32 12 o 168.3355 7.919698 288.1909   26.66333 288.1909   26.66333 ?          ?        168.3355 7.919698 ?        ?        ?         ?        
1 1 1 22 32 13 o 110.5074 11.29400 127.0763   24.96142 127.0763   24.96142 ?          ?        110.5074 11.29400 ?        ?        ?         ?        
1 1 1 22 33 0  o 22.96096 16.62621 -61.26894  36.87482 -61.26894  36.87482 -61.26894  36.87482 22.96096 16.62621 22.96096 16.62621 -0.000000 0.000000 
1 1 1 22 33 1  o 162.7376 9.586528 266.0660   31.20177 266.0660   31.20177 ?          ?        162.7376 9.586528 ?        ?        ?         ?        
1 1 1 22 33 2  o 295.8106 8.150640 878.1880   48.22092 878.1880   48.22092 ?          ?        295.8106 8.150640 ?        ?        ?         ?        
1 1 1 22 33 3  o 169.5726 8.698297 288.7582   29.49986 288.7582   29.49986 ?          ?        169.5726 8.698297 ?        ?        ?         ?        
1 1 1 22 33 4  o 42.62941 17.61543 5.673049   24.39412 5.673049   24.39412 ?          ?        42.62941 17.61543 ?        ?        ?         ?        
1 1 1 22 33 5  o 135.1273 9.866006 183.8068   26.66333 183.8068   26.66333 ?          ?        135.1273 9.866006 ?        ?        ?         ?        
1 1 1 22 33 6  o 174.6823 8.119096 306.9120   28.36525 306.9120   28.36525 ?          ?        174.6823 8.119096 ?        ?        ?         ?        
1 1 1 22 33 7  o 259.1718 7.880092 676.2275   40.84595 676.2275   40.84595 ?          ?        259.1718 7.880092 ?        ?        ?         ?        
1 1 1 22 33 8  o 197.2033 8.054907 392.0077   31.76908 392.0077   31.76908 ?          ?        197.2033 8.054907 ?        ?        ?         ?        
1 1 1 22 33 9  o 36.06821 16.28652 -11.34610  24.96142 -11.34610  24.96142 ?          ?        36.06821 16.28652 ?        ?        ?         ?        
1 1 1 22 33 10 o 54.07401 17.73301 30.06716   22.12490 30.06716   22.12490 ?          ?        54.07401 17.73301 ?        ?        ?         ?        
1 1 1 22 33 11 o 174.9671 8.105881 310.8831   28.36525 310.8831   28.36525 ?          ?        174.9671 8.105881 ?        ?        ?         ?        
1 1 1 22 33 12 o 287.0332 8.597530 840.7460   49.35553 840.7460   49.35553 ?          ?        287.0332 8.597530 ?        ?        ?         ?        
1 1 1 22 33 13 o 58.93930 17.50912 39.14404   22.12490 39.14404   22.12490 ?          ?        58.93930 17.50912 ?        ?        ?         ?        
1 1 1 22 34 0  o 64.32451 27.92661 60.13433   36.87482 60.13433   36.87482 60.13433   36.87482 64.32451 27.92661 64.32451 27.92661 -0.000000 0.000000 
1 1 1 22 34 1  o 117.0307 10.90685 137.8551   25.52872 137.8551   25.52872 ?          ?        117.0307 10.90685 ?        ?        ?         ?        
1 1 1 22 34 2  o 135.8518 9.604595 185.5087   26.09603 185.5087   26.09603 ?          ?        135.8518 9.604595 ?        ?        ?         ?        
1 1 1 22 34 3  o 158.8196 9.108620 253.5853   28.93255 253.5853   28.93255 ?          ?        158.8196 9.108620 ?        ?        ?         ?        
1 1 1 22 34 4  o 260.8250 7.612644 683.0352   39.71135 683.0352   39.71135 ?          ?        260.8250 7.612644 ?        ?        ?         ?        
1 1 1 22 34 5  o 44.50349 18.40481 6.240355   26.66333 6.240355   26.66333 ?          ?        44.50349 18.40481 ?        ?        ?         ?        
1 1 1 22 34 6  o 67.29842 17.83395 48.22092   24.39412 48.22092   24.39412 ?          ?        67.29842 17.83395 ?        ?        ?         ?        
1 1 1 22 34 7  o 67.72556 17.14677 49.35553   23.25950 49.35553   23.25950 ?          ?        67.72556 17.14677 ?        ?        ?         ?        
1 1 1 22 34 8  o 159.3624 8.365630 256.4218   26.66333 256.4218   26.66333 ?          ?        159.3624 8.365630 ?        ?        ?         ?        
1 1 1 22 34 9  o 143.6923 10.85715 210.4701   31.20177 210.4701   31.20177 ?          ?        143.6923 10.85715 ?        ?        ?         ?        
1 1 1 22 34 10 o 151.1020 9.198405 232.0277   27.79794 232.0277   27.79794 ?          ?        151.1020 9.198405 ?        ?        ?         ?        
1 1 1 22 34 11 o 43.71856 17.51883 12.48071   23.25950 12.48071   23.25950 ?          ?        43.71856 17.51883 ?        ?        ?         ?        
1 1 1 22 34 12 o 31.25483 14.69746 -22.69220  23.82681 -22.69220  23.82681 ?          ?        31.25483 14.69746 ?        ?        ?         ?        
1 1 1 22 34 13 o 134.0896 9.519279 185.5087   25.52872 185.5087   25.52872 ?          ?        134.0896 9.519279 ?        ?        ?         ?        
1 1 1 22 35 0  o 136.5376 14.19335 193.4510   38.00943 193.4510   38.00943 193.4510   38.00943 136.5376 14.19335 136.5376 14.19335 -0.000000 0.000000 
1 1 1 22 35 1  f 55.62760 18.83548 29.49986   24.96142 29.49986   24.96142 ?          ?        55.62760 18.83548 ?        ?        ?         ?        
1 1 1 22 35 2  o 144.8345 9.596453 211.0374   27.79794 211.0374   27.79794 ?          ?        144.8345 9.596453 ?        ?        ?         ?        
1 1 1 22 35 3  o 90.06683 14.17210 82.25922   25.52872 82.25922   25.52872 ?          ?        90.06683 14.17210 ?        ?        ?         ?        
1 1 1 22 35 4  o 238.5260 7.729728 571.2761   36.87482 571.2761   36.87482 ?          ?        238.5260 7.729728 ?        ?        ?         ?        
1 1 1 22 35 5  o 123.9452 9.611831 154.8743   23.82681 154.8743   23.82681 ?          ?        123.9452 9.611831 ?        ?        ?         ?        
1 1 1 22 35 6  o 41.05820 17.09764 4.538440   23.25950 4.538440   23.25950 ?          ?        41.05820 17.09764 ?        ?        ?         ?        
1 1 1 22 35 7  o 199.4114 7.681222 400.5173   30.63447 400.5173   30.63447 ?          ?        199.4114 7.681222 ?        ?        ?         ?        
1 1 1 22 35 8  o 123.1079 9.907616 153.7396   24.39412 153.7396   24.39412 ?          ?        123.1079 9.907616 ?        ?        ?         ?        
1 1 1 22 35 9  o 66.70686 16.27928 48.22092   21.55759 48.22092   21.55759 ?          ?        66.70686 16.27928 ?        ?        ?         ?        
1 1 1 22 35 10 o 92.68681 12.85340 89.06688   23.82681 89.06688   23.82681 ?          ?        92.68681 12.85340 ?        ?        ?         ?        
1 1 1 22 35 11 o 127.8684 9.760591 167.3549   24.96142 167.3549   24.96142 ?          ?        127.8684 9.760591 ?        ?        ?         ?        
1 1 1 22 35 12 o 53.22948 17.50418 30.63447   21.55759 30.63447   21.55759 ?          ?        53.22948 17.50418 ?        ?        ?         ?        
1 1 1 22 35 13 o 33.07769 15.21576 -13.61532  23.25950 -13.61532  23.25950 ?          ?        33.07769 15.21576 ?        ?        ?         ?        
1 1 1 22 36 0  o 322.8163 12.51819 1052.351   80.55730 1052.351   80.55730 1052.351   80.55730 322.8163 12.51819 322.8163 12.51819 -0.000000 0.000000 
1 1 1 22 36 1  o 108.9570 10.93404 119.7014   23.82681 119.7014   23.82681 ?          ?        108.9570 10.93404 ?        ?        ?         ?        
1 1 1 22 36 2  o 138.4165 9.836487 192.8837   27.23064 192.8837   27.23064 ?          ?        138.4165 9.836487 ?        ?        ?         ?        
1 1 1 22 36 3  o 122.8719 10.15750 152.0377   24.96142 152.0377   24.96142 ?          ?        122.8719 10.15750 ?        ?        ?         ?        
1 1 1 22 36 4  o 233.3013 7.781250 546.8820   36.30752 546.8820   36.30752 ?          ?        233.3013 7.781250 ?        ?        ?         ?        
1 1 1 22 36 5  o 160.2652 9.026463 258.6910   28.93255 258.6910   28.93255 ?          ?        160.2652 9.026463 ?        ?        ?         ?        
1 1 1 22 36 6  o 154.6283 9.355514 241.6719   28.93255 241.6719   28.93255 ?          ?        154.6283 9.355514 ?        ?        ?         ?        
1 1 1 22 36 7  o 183.1264 8.054504 338.1137   29.49986 338.1137   29.49986 ?          ?        183.1264 8.054504 ?        ?        ?         ?        
1 1 1 22 36 8  o 119.1744 9.758602 144.0954   23.25950 144.0954   23.25950 ?          ?        119.1744 9.758602 ?        ?        ?         ?        
1 1 1 22 36 9  o 97.26770 12.24806 97.00916   23.82681 97.00916   23.82681 ?          ?        97.26770 12.24806 ?        ?        ?         ?        
1 1 1 22 36 10 o 95.16754 12.22029 93.60532   23.25950 93.60532   23.25950 ?          ?        95.16754 12.22029 ?        ?        ?         ?        
1 1 1 22 36 11 o 156.1914 8.353864 248.4796   26.09603 248.4796   26.09603 ?          ?        156.1914 8.353864 ?        ?        ?         ?        
1 1 1 22 36 12 o 53.85426 18.18202 31.20177   23.25950 31.20177   23.25950 ?          ?        53.85426 18.18202 ?        ?        ?         ?        
1 1 1 22 37 0  o 274.6831 11.50610 761.8906   62.97085 761.8906   62.97085 761.8906   62.97085 274.6831 11.50610 274.6831 11.50610 -0.000000 0.000000 
1 1 1 22 37 1  o 195.9843 7.960273 385.7674   31.20177 385.7674   31.20177 ?          ?        195.9843 7.960273 ?        ?        ?         ?        
1 1 1 22 37 2  o 126.8991 10.50572 162.2492   26.66333 162.2492   26.66333 ?          ?        126.8991 10.50572 ?        ?        ?         ?        
1 1 1 22 37 3  o 61.44267 20.27846 37.44213   28.93255 37.44213   28.93255 ?          ?        61.44267 20.27846 ?        ?        ?         ?        
1 1 1 22 37 4  o 41.82388 17.89690 0.000000   26.66333 0.000000   26.66333 ?          ?        41.82388 17.89690 ?        ?        ?         ?        
1 1 1 22 37 5  o 150.5807 9.041875 228.6239   27.23064 228.6239   27.23064 ?          ?        150.5807 9.041875 ?        ?        ?         ?        
1 1 1 22 37 6  o 41.64206 17.65446 2.269220   25.52872 2.269220   25.52872 ?          ?        41.64206 17.65446 ?        ?        ?         ?        
1 1 1 22 37 7  o 93.84042 12.99766 90.20149   24.39412 90.20149   24.39412 ?          ?        93.84042 12.99766 ?        ?        ?         ?        
1 1 1 22 37 8  o 54.14470 17.73301 30.06716   22.12490 30.06716   22.12490 ?          ?        54.14470 17.73301 ?        ?        ?         ?        
1 1 1 22 37 9  o 188.2498 7.985977 358.5367   30.06716 358.5367   30.06716 ?          ?        188.2498 7.985977 ?        ?        ?         ?        
1 1 1 22 37 10 o 130.0435 8.942973 172.4607   23.25950 172.4607   23.25950 ?          ?        130.0435 8.942973 ?        ?        ?         ?        
1 1 1 22 37 11 o 89.34425 12.69931 83.39383   22.69220 83.39383   22.69220 ?          ?        89.34425 12.69931 ?        ?        ?         ?        
1 1 1 22 37 12 o 52.22790 18.35352 28.36525   23.82681 28.36525   23.82681 ?          ?        52.22790 18.35352 ?        ?        ?         ?        
1 1 1 22 38 0  o 37.83010 23.65228 10.77879   35.74022 10.77879   35.74022 10.77879   35.74022 37.83010 23.65228 37.83010 23.65228 -0.000000 0.000000 
1 1 1 22 38 1  o 94.78855 15.26163 91.33610   28.93255 91.33610   28.93255 ?          ?        94.78855 15.26163 ?        ?        ?         ?        
1 1 1 22 38 2  o 216.4705 7.862110 470.8631   34.03830 470.8631   34.03830 ?          ?        216.4705 7.862110 ?        ?        ?         ?        
1 1 1 22 38 3  o 246.8841 8.846758 613.8239   43.68248 613.8239   43.68248 ?          ?        246.8841 8.846758 ?        ?        ?         ?        
1 1 1 22 38 4  o 114.7954 11.36632 133.3167   26.09603 133.3167   26.09603 ?          ?        114.7954 11.36632 ?        ?        ?         ?        
1 1 1 22 38 5  o 76.69244 16.38386 62.97085   24.39412 62.97085   24.39412 ?          ?        76.69244 16.38386 ?        ?        ?         ?        
1 1 1 22 38 6  o 183.7010 8.338134 340.3830   30.63447 340.3830   30.63447 ?          ?        183.7010 8.338134 ?        ?        ?         ?        
1 1 1 22 38 7  o 175.6675 7.912090 311.4504   27.79794 311.4504   27.79794 ?          ?        175.6675 7.912090 ?        ?        ?         ?        
1 1 1 22 38 8  o 66.90741 17.88133 48.78823   24.39412 48.78823   24.39412 ?          ?        66.90741 17.88133 ?        ?        ?         ?        
1 1 1 22 38 9  o 183.2159 8.050572 340.3830   29.49986 340.3830   29.49986 ?          ?        183.2159 8.050572 ?        ?        ?         ?        
1 1 1 22 38 10 o 85.13983 13.65959 76.01886   23.25950 76.01886   23.25950 ?          ?        85.13983 13.65959 ?        ?        ?         ?        
1 1 1 22 38 11 o 167.4785 8.637691 286.4890   28.93255 286.4890   28.93255 ?          ?        167.4785 8.637691 ?        ?        ?         ?        
1 1 1 22 38 12 o 27.81709 13.44196 -32.33638  22.69220 -32.33638  22.69220 ?          ?        27.81709 13.44196 ?        ?        ?         ?        
1 1 1 22 39 0  o 274.0929 11.63590 759.6213   63.53815 759.6213   63.53815 759.6213   63.53815 274.0929 11.63590 274.0929 11.63590 -0.000000 0.000000 
1 1 1 22 39 1  o 232.9528 8.036420 545.7473   37.44213 545.7473   37.44213 ?          ?        232.9528 8.036420 ?        ?        ?         ?        
1 1 1 22 39 2  o 134.3764 9.710046 182.1049   26.09603 182.1049   26.09603 ?          ?        134.3764 9.710046 ?        ?        ?         ?        
1 1 1 22 39 3  o 39.65798 17.24959 -3.403830  25.52872 -3.403830  25.52872 ?          ?        39.65798 17.24959 ?        ?        ?         ?        
1 1 1 22 39 4  o 110.0872 11.59477 123.1052   25.52872 123.1052   25.52872 ?          ?        110.0872 11.59477 ?        ?        ?         ?        
1 1 1 22 39 5  o 150.2629 9.061001 228.0566   27.23064 228.0566   27.23064 ?          ?        150.2629 9.061001 ?        ?        ?         ?        
1 1 1 22 39 6  o 132.7292 10.04426 178.7011   26.66333 178.7011   26.66333 ?          ?        132.7292 10.04426 ?        ?        ?         ?        
1 1 1 22 39 7  f 35.66197 15.83682 -6.807660  22.69220 -6.807660  22.69220 ?          ?        35.66197 15.83682 ?        ?        ?         ?        
1 1 1 22 39 8  o 78.69285 16.39927 66.94199   24.96142 66.94199   24.96142 ?          ?        78.69285 16.39927 ?        ?        ?         ?        
1 1 1 22 39 9  o 133.4861 9.137321 181.5376   24.39412 181.5376   24.39412 ?          ?        133.4861 9.137321 ?        ?        ?         ?        
1 1 1 22 39 10 o 48.18387 18.46028 19.28837   24.96142 19.28837   24.96142 ?          ?        48.18387 18.46028 ?        ?        ?         ?        
1 1 1 22 39 11 o 49.46444 18.05738 23.82681   23.25950 23.82681   23.25950 ?          ?        49.46444 18.05738 ?        ?        ?         ?        
1 1 1 22 39 12 o 92.50095 13.18587 90.76879   24.39412 90.76879   24.39412 ?          ?        92.50095 13.18587 ?        ?        ?         ?        
1 1 1 22 40 0  o 22.36053 16.27346 -65.80738  36.87482 -65.80738  36.87482 -65.80738  36.87482 22.36053 16.27346 22.36053 16.27346 -0.000000 0.000000 
1 1 1 22 40 1  o 102.5779 12.44358 106.6533   25.52872 106.6533   25.52872 ?          ?        102.5779 12.44358 ?        ?        ?         ?        
1 1 1 22 40 2  o 95.11720 13.12140 91.90340   24.96142 91.90340   24.96142 ?          ?        95.11720 13.12140 ?        ?        ?         ?        
1 1 1 22 40 3  o 71.87369 17.82410 55.59589   25.52872 55.59589   25.52872 ?          ?        71.87369 17.82410 ?        ?        ?         ?        
1 1 1 22 40 4  o 38.96654 16.90399 -2.269220  24.39412 -2.269220  24.39412 ?          ?        38.96654 16.90399 ?        ?        ?         ?        
1 1 1 22 40 5  o 103.9513 12.00630 110.0572   24.96142 110.0572   24.96142 ?          ?        103.9513 12.00630 ?        ?        ?         ?        
1 1 1 22 40 6  o 80.32872 15.03433 68.64390   23.25950 68.64390   23.25950 ?          ?        80.32872 15.03433 ?        ?        ?         ?        
1 1 1 22 40 7  o 62.34675 18.06561 41.98057   23.82681 41.98057   23.82681 ?          ?        62.34675 18.06561 ?        ?        ?         ?        
1 1 1 22 40 8  o 127.4359 10.23889 165.6530   26.09603 165.6530   26.09603 ?          ?        127.4359 10.23889 ?        ?        ?         ?        
1 1 1 22 40 9  o 35.06720 15.69354 -7.374964  22.69220 -7.374964  22.69220 ?          ?        35.06720 15.69354 ?        ?        ?         ?        
1 1 1 22 40 10 o 83.65863 13.90144 73.74965   23.25950 73.74965   23.25950 ?          ?        83.65863 13.90144 ?        ?        ?         ?        
1 1 1 22 40 11 o 42.54395 17.33014 10.77879   23.25950 10.77879   23.25950 ?          ?        42.54395 17.33014 ?        ?        ?         ?        
1 1 1 22 41 0  o 125.5945 14.56114 165.6530   35.74022 165.6530   35.74022 165.6530   35.74022 125.5945 14.56114 125.5945 14.56114 -0.000000 0.000000 
1 1 1 22 41 1  o 193.7525 7.759167 377.8251   30.06716 377.8251   30.06716 ?          ?        193.7525 7.759167 ?        ?        ?         ?        
1 1 1 22 41 2  o 185.2061 8.576683 346.0561   31.76908 346.0561   31.76908 ?          ?        185.2061 8.576683 ?        ?        ?         ?        
1 1 1 22 41 3  o 83.69657 16.85935 74.88425   27.23064 74.88425   27.23064 ?          ?        83.69657 16.85935 ?        ?        ?         ?        
1 1 1 22 41 4  o 144.8752 9.397964 212.1721   27.23064 212.1721   27.23064 ?          ?        144.8752 9.397964 ?        ?        ?         ?        
1 1 1 22 41 5  o 80.27713 16.46681 69.21120   25.52872 69.21120   25.52872 ?          ?        80.27713 16.46681 ?        ?        ?         ?        
1 1 1 22 41 6  o 101.3306 11.75696 104.9514   23.82681 104.9514   23.82681 ?          ?        101.3306 11.75696 ?        ?        ?         ?        
1 1 1 22 41 7  o 30.68908 14.51825 -26.66333  23.82681 -26.66333  23.82681 ?          ?        30.68908 14.51825 ?        ?        ?         ?        
1 1 1 22 41 8  o 124.1781 10.05065 157.7108   24.96142 157.7108   24.96142 ?          ?        124.1781 10.05065 ?        ?        ?         ?        
1 1 1 22 41 9  o 261.0573 7.931832 692.6793   41.41326 692.6793   41.41326 ?          ?        261.0573 7.931832 ?        ?        ?         ?        
1 1 1 22 41 10 o 105.4124 12.91624 116.2975   27.23064 116.2975   27.23064 ?          ?        105.4124 12.91624 ?        ?        ?         ?        
1 1 1 22 41 11 o 99.87389 11.92845 104.3841   23.82681 104.3841   23.82681 ?          ?        99.87389 11.92845 ?        ?        ?         ?        
1 1 1 22 42 0  f 48.97540 26.48419 36.30752   35.74022 36.30752   35.74022 36.30752   35.74022 48.97540 26.48419 48.97540 26.48419 -0.000000 0.000000 
1 1 1 22 42 1  o 112.9583 12.05341 129.9128   27.23064 129.9128   27.23064 ?          ?        112.9583 12.05341 ?        ?        ?         ?        
1 1 1 22 42 2  o 145.7514 8.757627 214.4413   25.52872 214.4413   25.52872 ?          ?        145.7514 8.757627 ?        ?        ?         ?        
1 1 1 22 42 3  o 184.6360 8.295910 343.7868   30.63447 343.7868   30.63447 ?          ?        184.6360 8.295910 ?        ?        ?         ?        
1 1 1 22 42 4  o 81.63290 16.56091 71.48043   26.09603 71.48043   26.09603 ?          ?        81.63290 16.56091 ?        ?        ?         ?        
1 1 1 22 42 5  o 140.2795 9.908059 199.6914   27.79794 199.6914   27.79794 ?          ?        140.2795 9.908059 ?        ?        ?         ?        
1 1 1 22 42 6  o 47.69487 18.41429 17.01915   24.96142 17.01915   24.96142 ?          ?        47.69487 18.41429 ?        ?        ?         ?        
1 1 1 22 42 7  o 156.6816 8.146689 248.4796   25.52872 248.4796   25.52872 ?          ?        156.6816 8.146689 ?        ?        ?         ?        
1 1 1 22 42 8  o 36.35251 16.61343 -15.31723  27.23064 -15.31723  27.23064 ?          ?        36.35251 16.61343 ?        ?        ?         ?        
1 1 1 22 42 9  o 35.86135 16.29904 -11.91340  25.52872 -11.91340  25.52872 ?          ?        35.86135 16.29904 ?        ?        ?         ?        
1 1 1 22 42 10 o 102.9027 14.60952 112.8937   30.06716 112.8937   30.06716 ?          ?        102.9027 14.60952 ?        ?        ?         ?        
1 1 1 22 42 11 o 222.6752 7.643037 506.0360   34.03830 506.0360   34.03830 ?          ?        222.6752 7.643037 ?        ?        ?         ?        
1 1 1 22 43 0  o 21.26515 15.53825 -64.67276  34.60560 -64.67276  34.60560 -64.67276  34.60560 21.26515 15.53825 21.26515 15.53825 -0.000000 0.000000 
1 1 1 22 43 1  o 126.2983 10.55570 161.6819   26.66333 161.6819   26.66333 ?          ?        126.2983 10.55570 ?        ?        ?         ?        
1 1 1 22 43 2  o 152.9229 8.532411 235.9989   26.09603 235.9989   26.09603 ?          ?        152.9229 8.532411 ?        ?        ?         ?        
1 1 1 22 43 3  o 136.0346 10.21724 187.7779   27.79794 187.7779   27.79794 ?          ?        136.0346 10.21724 ?        ?        ?         ?        
1 1 1 22 43 4  o 94.54505 13.80084 91.90340   26.09603 91.90340   26.09603 ?          ?        94.54505 13.80084 ?        ?        ?         ?        
1 1 1 22 43 5  o 209.5690 7.850324 443.6324   32.90369 443.6324   32.90369 ?          ?        209.5690 7.850324 ?        ?        ?         ?        
1 1 1 22 43 6  o 94.48705 13.20891 91.90340   24.96142 91.90340   24.96142 ?          ?        94.48705 13.20891 ?        ?        ?         ?        
1 1 1 22 43 7  o 60.73483 18.45499 40.27865   24.39412 40.27865   24.39412 ?          ?        60.73483 18.45499 ?        ?        ?         ?        
1 1 1 22 43 8  o 52.16465 19.76770 24.39412   28.36525 24.39412   28.36525 ?          ?        52.16465 19.76770 ?        ?        ?         ?        
1 1 1 22 43 9  o 55.65237 18.18202 33.47099   23.25950 33.47099   23.25950 ?          ?        55.65237 18.18202 ?        ?        ?         ?        
1 1 1 22 43 10 o 69.91599 21.02406 57.29780   31.76908 57.29780   31.76908 ?          ?        69.91599 21.02406 ?        ?        ?         ?        
1 1 1 22 43 11 o 48.80913 18.20516 22.69220   23.82681 22.69220   23.82681 ?          ?        48.80913 18.20516 ?        ?        ?         ?        
1 1 1 22 44 0  o 53.08910 26.71426 43.68248   34.60560 43.68248   34.60560 43.68248   34.60560 53.08910 26.71426 53.08910 26.71426 -0.000000 0.000000 
1 1 1 22 44 1  o 48.83486 18.37966 19.28837   24.39412 19.28837   24.39412 ?          ?        48.83486 18.37966 ?        ?        ?         ?        
1 1 1 22 44 2  o 63.29185 17.97805 43.11518   23.82681 43.11518   23.82681 ?          ?        63.29185 17.97805 ?        ?        ?         ?        
1 1 1 22 44 3  o 152.9031 9.832100 237.1335   30.06716 237.1335   30.06716 ?          ?        152.9031 9.832100 ?        ?        ?         ?        
1 1 1 22 44 4  f 62.07269 18.37390 41.41326   24.39412 41.41326   24.39412 ?          ?        62.07269 18.37390 ?        ?        ?         ?        
1 1 1 22 44 5  o 321.4713 8.205921 1044.976   52.75936 1044.976   52.75936 ?          ?        321.4713 8.205921 ?        ?        ?         ?        
1 1 1 22 44 6  o 37.27999 16.83320 -11.34610  26.66333 -11.34610  26.66333 ?          ?        37.27999 16.83320 ?        ?        ?         ?        
1 1 1 22 44 7  o 137.0878 9.517999 191.7491   26.09603 191.7491   26.09603 ?          ?        137.0878 9.517999 ?        ?        ?         ?        
1 1 1 22 44 8  f 27.20242 13.51464 -65.24007  28.36525 -65.24007  28.36525 ?          ?        27.20242 13.51464 ?        ?        ?         ?        
1 1 1 22 44 9  o 81.13497 15.24447 72.04772   23.82681 72.04772   23.82681 ?          ?        81.13497 15.24447 ?        ?        ?         ?        
1 1 1 22 44 10 o 84.47188 17.38521 80.55730   28.36525 80.55730   28.36525 ?          ?        84.47188 17.38521 ?        ?        ?         ?        
1 1 1 22 45 0  o 45.27504 25.74164 29.49986   35.74022 29.49986   35.74022 29.49986   35.74022 45.27504 25.74164 45.27504 25.74164 -0.000000 0.000000 
1 1 1 22 45 1  o 83.03548 14.88689 73.18234   23.82681 73.18234   23.82681 ?          ?        83.03548 14.88689 ?        ?        ?         ?        
1 1 1 22 45 2  o 68.92068 17.93782 51.62476   24.96142 51.62476   24.96142 ?          ?        68.92068 17.93782 ?        ?        ?         ?        
1 1 1 22 45 3  o 178.1691 8.437818 321.0946   30.06716 321.0946   30.06716 ?          ?        178.1691 8.437818 ?        ?        ?         ?        
1 1 1 22 45 4  o 91.46153 13.64586 86.23035   24.96142 86.23035   24.96142 ?          ?        91.46153 13.64586 ?        ?        ?         ?        
1 1 1 22 45 5  o 160.5811 8.302140 260.9603   26.66333 260.9603   26.66333 ?          ?        160.5811 8.302140 ?        ?        ?         ?        
1 1 1 22 45 6  o 199.5695 7.533007 403.3539   30.06716 403.3539   30.06716 ?          ?        199.5695 7.533007 ?        ?        ?         ?        
1 1 1 22 45 7  o 52.33382 18.93603 26.66333   25.52872 26.66333   25.52872 ?          ?        52.33382 18.93603 ?        ?        ?         ?        
1 1 1 22 45 8  o 70.47543 16.05076 55.02858   22.12490 55.02858   22.12490 ?          ?        70.47543 16.05076 ?        ?        ?         ?        
1 1 1 22 45 9  o 163.4058 8.332212 272.8737   27.23064 272.8737   27.23064 ?          ?        163.4058 8.332212 ?        ?        ?         ?        
1 1 1 22 45 10 o 48.77510 18.67408 21.55759   25.52872 21.55759   25.52872 ?          ?        48.77510 18.67408 ?        ?        ?         ?        
1 1 1 22 46 0  o 17.05302 12.77604 -136.1532  37.44213 -136.1532  37.44213 -136.1532  37.44213 17.05302 12.77604 17.05302 12.77604 -0.000000 0.000000 
1 1 1 22 46 1  o 154.9254 9.337574 243.3738   28.93255 243.3738   28.93255 ?          ?        154.9254 9.337574 ?        ?        ?         ?        
1 1 1 22 46 2  o 81.03076 16.67377 70.91312   26.09603 70.91312   26.09603 ?          ?        81.03076 16.67377 ?        ?        ?         ?        
1 1 1 22 46 3  o 55.01736 19.77423 28.36525   27.79794 28.36525   27.79794 ?          ?        55.01736 19.77423 ?        ?        ?         ?        
1 1 1 22 46 4  o 91.41811 12.10094 85.66305   22.12490 85.66305   22.12490 ?          ?        91.41811 12.10094 ?        ?        ?         ?        
1 1 1 22 46 5  o 125.4359 9.949872 160.5473   24.96142 160.5473   24.96142 ?          ?        125.4359 9.949872 ?        ?        ?         ?        
1 1 1 22 46 6  o 32.41204 15.16627 -20.99029  24.39412 -20.99029  24.39412 ?          ?        32.41204 15.16627 ?        ?        ?         ?        
1 1 1 22 46 7  o 142.8873 8.933167 208.2009   25.52872 208.2009   25.52872 ?          ?        142.8873 8.933167 ?        ?        ?         ?        
1 1 1 22 46 8  o 32.29102 15.19303 -24.39412  25.52872 -24.39412  25.52872 ?          ?        32.29102 15.19303 ?        ?        ?         ?        
1 1 1 22 46 9  o 149.3649 9.685191 229.7585   28.93255 229.7585   28.93255 ?          ?        149.3649 9.685191 ?        ?        ?         ?        
1 1 1 22 47 0  f 111.2185 16.88578 132.1821   35.74022 132.1821   35.74022 132.1821   35.74022 111.2185 16.88578 111.2185 16.88578 -0.000000 0.000000 
1 1 1 22 47 1  o 106.6393 11.70367 116.2975   24.96142 116.2975   24.96142 ?          ?        106.6393 11.70367 ?        ?        ?         ?        
1 1 1 22 47 2  o 61.86943 20.07751 40.27865   28.36525 40.27865   28.36525 ?          ?        61.86943 20.07751 ?        ?        ?         ?        
1 1 1 22 47 3  o 168.8259 8.736770 288.7582   29.49986 288.7582   29.49986 ?          ?        168.8259 8.736770 ?        ?        ?         ?        
1 1 1 22 47 4  o 205.2508 8.015485 426.6133   32.90369 426.6133   32.90369 ?          ?        205.2508 8.015485 ?        ?        ?         ?        
1 1 1 22 47 5  o 41.34077 17.37855 5.105744   24.39412 5.105744   24.39412 ?          ?        41.34077 17.37855 ?        ?        ?         ?        
1 1 1 22 47 6  o 119.3056 11.64989 147.4993   27.79794 147.4993   27.79794 ?          ?        119.3056 11.64989 ?        ?        ?         ?        
1 1 1 22 47 7  o 62.08073 18.62937 43.11518   24.96142 43.11518   24.96142 ?          ?        62.08073 18.62937 ?        ?        ?         ?        
1 1 1 22 47 8  o 73.80489 16.88447 61.26894   24.39412 61.26894   24.39412 ?          ?        73.80489 16.88447 ?        ?        ?         ?        
1 1 1 22 47 9  o 77.93353 16.18996 68.07660   24.39412 68.07660   24.39412 ?          ?        77.93353 16.18996 ?        ?        ?         ?        
1 1 1 22 48 0  o 27.33515 19.21629 -32.90369  38.00943 -32.90369  38.00943 -32.90369  38.00943 27.33515 19.21629 27.33515 19.21629 -0.000000 0.000000 
1 1 1 22 48 1  o 177.9081 8.609635 320.5273   30.63447 320.5273   30.63447 ?          ?        177.9081 8.609635 ?        ?        ?         ?        
1 1 1 22 48 2  o 122.9372 10.84429 154.3070   26.66333 154.3070   26.66333 ?          ?        122.9372 10.84429 ?        ?        ?         ?        
1 1 1 22 48 3  o 56.16155 19.04832 32.33638   25.52872 32.33638   25.52872 ?          ?        56.16155 19.04832 ?        ?        ?         ?        
1 1 1 22 48 4  o 33.05445 15.41814 -20.42298  24.96142 -20.42298  24.96142 ?          ?        33.05445 15.41814 ?        ?        ?         ?        
1 1 1 22 48 5  o 121.2421 10.29404 150.9031   24.96142 150.9031   24.96142 ?          ?        121.2421 10.29404 ?        ?        ?         ?        
1 1 1 22 48 6  o 120.6295 10.11117 149.2012   24.39412 149.2012   24.39412 ?          ?        120.6295 10.11117 ?        ?        ?         ?        
1 1 1 22 48 7  o 160.2287 8.674458 262.0949   27.79794 262.0949   27.79794 ?          ?        160.2287 8.674458 ?        ?        ?         ?        
1 1 1 22 48 8  o 54.90219 18.83361 32.33638   24.96142 32.33638   24.96142 ?          ?        54.90219 18.83361 ?        ?        ?         ?        
1 1 1 22 48 9  f 116.5889 12.16465 142.9609   28.36525 142.9609   28.36525 ?          ?        116.5889 12.16465 ?        ?        ?         ?        
1 1 1 22 49 0  o 79.74573 25.83848 83.96114   36.30752 83.96114   36.30752 83.96114   36.30752 79.74573 25.83848 79.74573 25.83848 -0.000000 0.000000 
1 1 1 22 49 1  o 100.8439 12.65754 104.9514   25.52872 104.9514   25.52872 ?          ?        100.8439 12.65754 ?        ?        ?         ?        
1 1 1 22 49 2  o 54.83325 18.83132 30.63447   24.96142 30.63447   24.96142 ?          ?        54.83325 18.83132 ?        ?        ?         ?        
1 1 1 22 49 3  o 57.85756 18.83546 35.74022   24.96142 35.74022   24.96142 ?          ?        57.85756 18.83546 ?        ?        ?         ?        
1 1 1 22 49 4  o 42.72961 17.86045 6.807660   25.52872 6.807660   25.52872 ?          ?        42.72961 17.86045 ?        ?        ?         ?        
1 1 1 22 49 5  o 75.35107 16.97143 62.97085   24.96142 62.97085   24.96142 ?          ?        75.35107 16.97143 ?        ?        ?         ?        
1 1 1 22 49 6  o 51.45359 19.07997 24.96142   26.09603 24.96142   26.09603 ?          ?        51.45359 19.07997 ?        ?        ?         ?        
1 1 1 22 49 7  o 58.09392 18.83260 37.44213   24.96142 37.44213   24.96142 ?          ?        58.09392 18.83260 ?        ?        ?         ?        
1 1 1 22 49 8  o 42.49612 18.13223 5.105744   27.23064 5.105744   27.23064 ?          ?        42.49612 18.13223 ?        ?        ?         ?        
1 1 1 22 50 0  o 30.45496 20.67882 -12.48071  36.30752 -12.48071  36.30752 -12.48071  36.30752 30.45496 20.67882 30.45496 20.67882 -0.000000 0.000000 
1 1 1 22 50 1  o 155.6346 9.112772 246.7777   28.36525 246.7777   28.36525 ?          ?        155.6346 9.112772 ?        ?        ?         ?        
1 1 1 22 50 2  o 47.26747 17.90379 18.72106   23.25950 18.72106   23.25950 ?          ?        47.26747 17.90379 ?        ?        ?         ?        
1 1 1 22 50 3  o 137.0637 9.105774 191.7491   24.96142 191.7491   24.96142 ?          ?        137.0637 9.105774 ?        ?        ?         ?        
1 1 1 22 50 4  o 84.18034 13.81528 74.31695   23.25950 74.31695   23.25950 ?          ?        84.18034 13.81528 ?        ?        ?         ?        
1 1 1 22 50 5  o 269.1090 8.221538 737.4965   44.24979 737.4965   44.24979 ?          ?        269.1090 8.221538 ?        ?        ?         ?        
1 1 1 22 50 6  o 62.30394 18.86884 43.68248   25.52872 43.68248   25.52872 ?          ?        62.30394 18.86884 ?        ?        ?         ?        
1 1 1 22 50 7  o 83.27128 16.24894 77.15348   26.09603 77.15348   26.09603 ?          ?        83.27128 16.24894 ?        ?        ?         ?        
1 1 1 22 50 8  o 69.60654 18.44556 56.16319   26.09603 56.16319   26.09603 ?          ?        69.60654 18.44556 ?        ?        ?         ?        
1 1 1 22 51 0  o 269.8981 11.39426 743.7368   61.26894 743.7368   61.26894 743.7368   61.26894 269.8981 11.39426 269.8981 11.39426 -0.000000 0.000000 
1 1 1 22 51 1  o 80.99064 16.33304 72.04772   25.52872 72.04772   25.52872 ?          ?        80.99064 16.33304 ?        ?        ?         ?        
1 1 1 22 51 2  o 59.58050 18.78383 39.14404   24.96142 39.14404   24.96142 ?          ?        59.58050 18.78383 ?        ?        ?         ?        
1 1 1 22 51 3  o 57.94003 19.46699 35.74022   26.66333 35.74022   26.66333 ?          ?        57.94003 19.46699 ?        ?        ?         ?        
1 1 1 22 51 4  o 107.0871 13.50889 120.2687   28.93255 120.2687   28.93255 ?          ?        107.0871 13.50889 ?        ?        ?         ?        
1 1 1 22 51 5  f 117.1534 11.62179 142.3935   27.23064 142.3935   27.23064 ?          ?        117.1534 11.62179 ?        ?        ?         ?        
1 1 1 22 51 6  f 53.54437 18.78835 30.06716   24.96142 30.06716   24.96142 ?          ?        53.54437 18.78835 ?        ?        ?         ?        
1 1 1 22 51 7  o 50.32743 18.48080 24.96142   24.39412 24.96142   24.39412 ?          ?        50.32743 18.48080 ?        ?        ?         ?        
1 1 1 22 52 0  o 81.24181 22.24510 82.25922   31.20177 82.25922   31.20177 82.25922   31.20177 81.24181 22.24510 81.24181 22.24510 -0.000000 0.000000 
1 1 1 22 52 1  o 115.0182 11.59092 136.7205   26.66333 136.7205   26.66333 ?          ?        115.0182 11.59092 ?        ?        ?         ?        
1 1 1 22 52 2  o 47.04739 18.36252 17.01915   24.96142 17.01915   24.96142 ?          ?        47.04739 18.36252 ?        ?        ?         ?        
1 1 1 22 52 3  o 103.1147 12.92897 111.1918   26.66333 111.1918   26.66333 ?          ?        103.1147 12.92897 ?        ?        ?         ?        
1 1 1 22 52 4  o 46.31450 18.42719 15.31723   25.52872 15.31723   25.52872 ?          ?        46.31450 18.42719 ?        ?        ?         ?        
1 1 1 22 52 5  o 52.18180 18.93060 27.23064   25.52872 27.23064   25.52872 ?          ?        52.18180 18.93060 ?        ?        ?         ?        
1 1 1 22 52 6  o 80.63824 16.39913 72.61504   25.52872 72.61504   25.52872 ?          ?        80.63824 16.39913 ?        ?        ?         ?        
1 1 1 22 52 7  o 50.01299 18.80635 23.82681   25.52872 23.82681   25.52872 ?          ?        50.01299 18.80635 ?        ?        ?         ?        
1 1 1 22 53 0  o 163.9058 13.32380 280.2487   43.11518 280.2487   43.11518 280.2487   43.11518 163.9058 13.32380 163.9058 13.32380 -0.000000 0.000000 
1 1 1 22 53 1  o 112.5696 11.84305 131.6148   26.66333 131.6148   26.66333 ?          ?        112.5696 11.84305 ?        ?        ?         ?        
1 1 1 22 53 2  f 171.1171 8.288256 298.4024   28.36525 298.4024   28.36525 ?          ?        171.1171 8.288256 ?        ?        ?         ?        
1 1 1 22 53 3  o 27.39892 13.36118 -40.27865  23.82681 -40.27865  23.82681 ?          ?        27.39892 13.36118 ?        ?        ?         ?        
1 1 1 22 53 4  o 57.14155 17.88884 36.30752   22.69220 36.30752   22.69220 ?          ?        57.14155 17.88884 ?        ?        ?         ?        
1 1 1 22 53 5  o 42.98903 17.66871 10.21149   24.39412 10.21149   24.39412 ?          ?        42.98903 17.66871 ?        ?        ?         ?        
1 1 1 22 53 6  o 42.26637 17.54946 9.076880   24.39412 9.076880   24.39412 ?          ?        42.26637 17.54946 ?        ?        ?         ?        
1 1 1 22 54 0  o 161.7489 12.78293 272.3064   40.84595 272.3064   40.84595 272.3064   40.84595 161.7489 12.78293 161.7489 12.78293 -0.000000 0.000000 
1 1 1 22 54 1  o 52.73800 19.50347 26.66333   27.23064 26.66333   27.23064 ?          ?        52.73800 19.50347 ?        ?        ?         ?        
1 1 1 22 54 2  o 45.71568 18.57743 13.04801   26.66333 13.04801   26.66333 ?          ?        45.71568 18.57743 ?        ?        ?         ?        
1 1 1 22 54 3  o 82.21632 17.12468 76.01886   27.23064 76.01886   27.23064 ?          ?        82.21632 17.12468 ?        ?        ?         ?        
1 1 1 22 54 4  o 184.5453 8.761097 348.8925   32.33638 348.8925   32.33638 ?          ?        184.5453 8.761097 ?        ?        ?         ?        
1 1 1 22 54 5  f 156.3356 9.434787 251.8834   29.49986 251.8834   29.49986 ?          ?        156.3356 9.434787 ?        ?        ?         ?        
1 1 1 22 55 0  o 23.55839 16.99576 -47.65361  35.74022 -47.65361  35.74022 -47.65361  35.74022 23.55839 16.99576 23.55839 16.99576 -0.000000 0.000000 
1 1 1 22 55 1  o 141.5511 9.819053 206.4990   27.79794 206.4990   27.79794 ?          ?        141.5511 9.819053 ?        ?        ?         ?        
1 1 1 22 55 2  o 65.88415 19.11723 49.92284   26.66333 49.92284   26.66333 ?          ?        65.88415 19.11723 ?        ?        ?         ?        
1 1 1 22 55 3  o 230.2775 8.252962 541.7762   38.00943 541.7762   38.00943 ?          ?        230.2775 8.252962 ?        ?        ?         ?        
1 1 1 22 55 4  o 45.51234 18.18553 15.31723   24.96142 15.31723   24.96142 ?          ?        45.51234 18.18553 ?        ?        ?         ?        
1 1 1 22 55 5  o 109.3442 12.97062 126.5090   28.36525 126.5090   28.36525 ?          ?        109.3442 12.97062 ?        ?        ?         ?        
1 1 1 22 56 0  o 195.0081 12.76661 394.8442   49.35553 394.8442   49.35553 394.8442   49.35553 195.0081 12.76661 195.0081 12.76661 -0.000000 0.000000 
1 1 1 22 56 1  o 127.7676 11.54434 170.1915   29.49986 170.1915   29.49986 ?          ?        127.7676 11.54434 ?        ?        ?         ?        
1 1 1 22 56 2  o 69.83208 19.54524 56.73050   28.36525 56.73050   28.36525 ?          ?        69.83208 19.54524 ?        ?        ?         ?        
1 1 1 22 56 3  o 129.0136 9.673948 171.8934   24.96142 171.8934   24.96142 ?          ?        129.0136 9.673948 ?        ?        ?         ?        
1 1 1 22 56 4  o 116.3229 10.72936 140.6916   24.96142 140.6916   24.96142 ?          ?        116.3229 10.72936 ?        ?        ?         ?        
1 1 1 22 57 0  o 30.02639 20.25879 -7.942269  34.03830 -7.942269  34.03830 -7.942269  34.03830 30.02639 20.25879 30.02639 20.25879 -0.000000 0.000000 
1 1 1 22 57 1  o 125.9871 12.83321 167.9223   32.33638 167.9223   32.33638 ?          ?        125.9871 12.83321 ?        ?        ?         ?        
1 1 1 22 57 2  o 38.03525 17.30428 -11.34610  28.93255 -11.34610  28.93255 ?          ?        38.03525 17.30428 ?        ?        ?         ?        
1 1 1 23 0  1  o 52.94193 33.23676 18.72106   71.48043 18.72106   71.48043 18.72106   71.48043 52.94193 33.23676 52.94193 33.23676 -0.000000 0.000000 
1 1 1 23 0  2  o 226.6298 19.16306 527.0263   85.66305 527.0263   85.66305 527.0263   85.66305 226.6298 19.16306 226.6298 19.16306 -0.000000 0.000000 
1 1 1 23 0  3  o 62.63845 35.55847 53.89397   68.07660 53.89397   68.07660 53.89397   68.07660 62.63845 35.55847 62.63845 35.55847 -0.000000 0.000000 
1 1 1 23 0  4  o 133.6820 36.15665 216.1432   83.39383 216.1432   83.39383 216.1432   83.39383 133.6820 36.15665 133.6820 36.15665 -0.000000 0.000000 
1 1 1 23 0  5  o 34.00251 24.00771 -60.13433  60.70163 -60.13433  60.70163 -60.13433  60.70163 34.00251 24.00771 34.00251 24.00771 -0.000000 0.000000 
1 1 1 23 0  6  o 131.3359 22.54376 186.6433   54.46128 186.6433   54.46128 186.6433   54.46128 131.3359 22.54376 131.3359 22.54376 -0.000000 0.000000 
1 1 1 23 0  7  o 88.36556 35.87084 110.6245   61.83624 110.6245   61.83624 110.6245   61.83624 88.36556 35.87084 88.36556 35.87084 -0.000000 0.000000 
1 1 1 23 0  8  o 268.0563 15.77481 730.1215   83.96114 730.1215   83.96114 730.1215   83.96114 268.0563 15.77481 268.0563 15.77481 -0.000000 0.000000 
1 1 1 23 0  9  o 47.87323 27.75008 30.06716   42.54787 30.06716   42.54787 30.06716   42.54787 47.87323 27.75008 47.87323 27.75008 -0.000000 0.000000 
1 1 1 23 0  10 o 39.40738 25.05761 7.942269   41.98057 7.942269   41.98057 7.942269   41.98057 39.40738 25.05761 39.40738 25.05761 -0.000000 0.000000 
1 1 1 23 0  11 o 88.96947 22.91115 94.73994   35.17290 94.73994   35.17290 94.73994   35.17290 88.96947 22.91115 88.96947 22.91115 -0.000000 0.000000 
1 1 1 23 0  12 o 117.5225 19.15491 149.7685   41.98057 149.7685   41.98057 149.7685   41.98057 117.5225 19.15491 117.5225 19.15491 -0.000000 0.000000 
1 1 1 23 0  13 o 156.3224 12.30715 251.8834   38.00943 251.8834   38.00943 251.8834   38.00943 156.3224 12.30715 156.3224 12.30715 -0.000000 0.000000 
1 1 1 23 0  14 o 119.1275 14.90518 152.0377   34.60560 152.0377   34.60560 152.0377   34.60560 119.1275 14.90518 119.1275 14.90518 -0.000000 0.000000 
1 1 1 23 0  15 o 53.59869 26.38519 46.51900   33.47099 46.51900   33.47099 46.51900   33.47099 53.59869 26.38519 53.59869 26.38519 -0.000000 0.000000 
1 1 1 23 0  16 o 43.55550 23.06561 30.63447   26.66333 30.63447   26.66333 30.63447   26.66333 43.55550 23.06561 43.55550 23.06561 -0.000000 0.000000 
1 1 1 23 1  0  o 345.0834 25.68243 1220.273   175.2972 1220.273   175.2972 1220.273   175.2972 345.0834 25.68243 345.0834 25.68243 -0.000000 0.000000 
1 1 1 23 1  1  o 69.19379 23.58712 44.81709   39.14404 44.81709   39.14404 ?          ?        69.19379 23.58712 ?        ?        ?         ?        
1 1 1 23 1  3  o 294.9146 16.06227 876.4862   94.73994 876.4862   94.73994 ?          ?        294.9146 16.06227 ?        ?        ?         ?        
1 1 1 23 1  5  o 111.1806 17.60381 124.8071   39.14404 124.8071   39.14404 ?          ?        111.1806 17.60381 ?        ?        ?         ?        
1 1 1 23 1  6  o 324.9249 10.65034 1060.293   69.21120 1060.293   69.21120 ?          ?        324.9249 10.65034 ?        ?        ?         ?        
1 1 1 23 1  7  o 107.3217 23.63195 121.9706   49.35553 121.9706   49.35553 ?          ?        107.3217 23.63195 ?        ?        ?         ?        
1 1 1 23 1  8  o 388.5548 20.14853 1538.531   156.5762 1538.531   156.5762 ?          ?        388.5548 20.14853 ?        ?        ?         ?        
1 1 1 23 1  9  o 48.68588 19.99173 8.509575   31.20177 8.509575   31.20177 ?          ?        48.68588 19.99173 ?        ?        ?         ?        
1 1 1 23 1  10 o 54.20805 19.74537 24.96142   27.79794 24.96142   27.79794 ?          ?        54.20805 19.74537 ?        ?        ?         ?        
1 1 1 23 1  11 o 122.7841 11.31985 152.6050   27.79794 152.6050   27.79794 ?          ?        122.7841 11.31985 ?        ?        ?         ?        
1 1 1 23 1  12 o 113.3536 12.01137 131.0475   27.23064 131.0475   27.23064 ?          ?        113.3536 12.01137 ?        ?        ?         ?        
1 1 1 23 1  13 o 47.98634 18.28855 18.15376   24.39412 18.15376   24.39412 ?          ?        47.98634 18.28855 ?        ?        ?         ?        
1 1 1 23 1  14 o 48.69715 17.42261 22.69220   21.55759 22.69220   21.55759 ?          ?        48.69715 17.42261 ?        ?        ?         ?        
1 1 1 23 1  15 o 49.77884 17.86868 24.39412   22.69220 24.39412   22.69220 ?          ?        49.77884 17.86868 ?        ?        ?         ?        
1 1 1 23 1  16 o 106.2329 10.14638 116.8648   21.55759 116.8648   21.55759 ?          ?        106.2329 10.14638 ?        ?        ?         ?        
1 1 1 23 2  0  o 38.22399 26.56523 -49.35553  67.50929 -49.35553  67.50929 -49.35553  67.50929 38.22399 26.56523 38.22399 26.56523 -0.000000 0.000000 
1 1 1 23 2  1  o 217.1313 18.02782 475.4016   78.28809 475.4016   78.28809 ?          ?        217.1313 18.02782 ?        ?        ?         ?        
1 1 1 23 2  3  o 92.12045 27.49187 87.93227   54.46128 87.93227   54.46128 ?          ?        92.12045 27.49187 ?        ?        ?         ?        
1 1 1 23 2  4  o 833.4105 30.52953 7138.966   508.8725 7138.966   508.8725 ?          ?        833.4105 30.52953 ?        ?        ?         ?        
1 1 1 23 2  5  o 101.3092 19.45313 107.2206   38.00943 107.2206   38.00943 ?          ?        101.3092 19.45313 ?        ?        ?         ?        
1 1 1 23 2  6  o 210.1608 12.28220 444.1998   51.62476 444.1998   51.62476 ?          ?        210.1608 12.28220 ?        ?        ?         ?        
1 1 1 23 2  7  o 212.3291 13.62628 453.8440   57.86510 453.8440   57.86510 ?          ?        212.3291 13.62628 ?        ?        ?         ?        
1 1 1 23 2  8  o 346.7025 12.35397 1210.629   85.66305 1210.629   85.66305 ?          ?        346.7025 12.35397 ?        ?        ?         ?        
1 1 1 23 2  9  o 102.6009 15.48187 106.6533   31.76908 106.6533   31.76908 ?          ?        102.6009 15.48187 ?        ?        ?         ?        
1 1 1 23 2  10 o 53.94981 20.78554 20.42298   31.76908 20.42298   31.76908 ?          ?        53.94981 20.78554 ?        ?        ?         ?        
1 1 1 23 2  11 o 54.32080 19.38210 26.66333   26.66333 26.66333   26.66333 ?          ?        54.32080 19.38210 ?        ?        ?         ?        
1 1 1 23 2  12 o 103.2957 13.73012 109.4899   28.36525 109.4899   28.36525 ?          ?        103.2957 13.73012 ?        ?        ?         ?        
1 1 1 23 2  13 o 34.76607 15.97068 -17.01915  25.52872 -17.01915  25.52872 ?          ?        34.76607 15.97068 ?        ?        ?         ?        
1 1 1 23 2  14 o 37.69928 16.11088 1.701915   21.55759 1.701915   21.55759 ?          ?        37.69928 16.11088 ?        ?        ?         ?        
1 1 1 23 2  15 o 73.04089 15.60282 58.99971   22.12490 58.99971   22.12490 ?          ?        73.04089 15.60282 ?        ?        ?         ?        
1 1 1 23 2  16 o 125.5335 9.264258 162.2492   23.25950 162.2492   23.25950 ?          ?        125.5335 9.264258 ?        ?        ?         ?        
1 1 1 23 3  0  o 41.54368 28.85007 -53.89397  78.28809 -53.89397  78.28809 -53.89397  78.28809 41.54368 28.85007 41.54368 28.85007 -0.000000 0.000000 
1 1 1 23 3  1  o 224.7342 15.77711 508.3052   70.91312 508.3052   70.91312 ?          ?        224.7342 15.77711 ?        ?        ?         ?        
1 1 1 23 3  2  o 129.2697 20.62613 169.0569   53.32666 169.0569   53.32666 ?          ?        129.2697 20.62613 ?        ?        ?         ?        
1 1 1 23 3  3  o 220.0913 16.62545 488.4496   73.18234 488.4496   73.18234 ?          ?        220.0913 16.62545 ?        ?        ?         ?        
1 1 1 23 3  4  o 300.1933 16.25227 908.2553   97.57646 908.2553   97.57646 ?          ?        300.1933 16.25227 ?        ?        ?         ?        
1 1 1 23 3  5  o 223.2917 12.19510 500.9303   54.46128 500.9303   54.46128 ?          ?        223.2917 12.19510 ?        ?        ?         ?        
1 1 1 23 3  6  o 306.0176 13.99643 943.4282   85.66305 943.4282   85.66305 ?          ?        306.0176 13.99643 ?        ?        ?         ?        
1 1 1 23 3  7  o 143.2872 12.66949 206.4990   36.30752 206.4990   36.30752 ?          ?        143.2872 12.66949 ?        ?        ?         ?        
1 1 1 23 3  8  o 305.2704 13.65901 940.0243   83.39383 940.0243   83.39383 ?          ?        305.2704 13.65901 ?        ?        ?         ?        
1 1 1 23 3  9  o 191.0835 11.13332 367.6136   42.54787 367.6136   42.54787 ?          ?        191.0835 11.13332 ?        ?        ?         ?        
1 1 1 23 3  10 o 261.7715 10.51080 690.4101   55.02858 690.4101   55.02858 ?          ?        261.7715 10.51080 ?        ?        ?         ?        
1 1 1 23 3  11 o 134.7539 11.15633 183.8068   30.06716 183.8068   30.06716 ?          ?        134.7539 11.15633 ?        ?        ?         ?        
1 1 1 23 3  12 o 198.6521 8.710104 398.8154   34.60560 398.8154   34.60560 ?          ?        198.6521 8.710104 ?        ?        ?         ?        
1 1 1 23 3  13 o 41.00171 16.96917 6.240355   22.69220 6.240355   22.69220 ?          ?        41.00171 16.96917 ?        ?        ?         ?        
1 1 1 23 3  14 o 153.7513 9.593370 241.6719   29.49986 241.6719   29.49986 ?          ?        153.7513 9.593370 ?        ?        ?         ?        
1 1 1 23 3  15 o 45.83253 17.75884 17.01915   23.25950 17.01915   23.25950 ?          ?        45.83253 17.75884 ?        ?        ?         ?        
1 1 1 23 4  0  o 570.1420 37.95472 3352.772   428.8826 3352.772   428.8826 3352.772   428.8826 570.1420 37.95472 570.1420 37.95472 -0.000000 0.000000 
1 1 1 23 4  1  o 40.65604 20.48234 -235.9989  76.01886 -235.9989  76.01886 ?          ?        40.65604 20.48234 ?        ?        ?         ?        
1 1 1 23 4  2  o 63.31998 22.29440 35.74022   35.17290 35.74022   35.17290 ?          ?        63.31998 22.29440 ?        ?        ?         ?        
1 1 1 23 4  3  o 52.00356 23.09086 -17.01915  48.22092 -17.01915  48.22092 ?          ?        52.00356 23.09086 ?        ?        ?         ?        
1 1 1 23 4  4  o 542.2044 24.53558 2992.534   266.0660 2992.534   266.0660 ?          ?        542.2044 24.53558 ?        ?        ?         ?        
1 1 1 23 4  5  f 160.5613 10.42312 258.6910   33.47099 258.6910   33.47099 ?          ?        160.5613 10.42312 ?        ?        ?         ?        
1 1 1 23 4  6  o 243.9349 15.93064 600.7759   77.72078 600.7759   77.72078 ?          ?        243.9349 15.93064 ?        ?        ?         ?        
1 1 1 23 4  7  o 187.8911 12.83215 355.1329   48.22092 355.1329   48.22092 ?          ?        187.8911 12.83215 ?        ?        ?         ?        
1 1 1 23 4  8  o 170.4510 10.98325 292.1620   37.44213 292.1620   37.44213 ?          ?        170.4510 10.98325 ?        ?        ?         ?        
1 1 1 23 4  9  o 140.0632 12.96112 197.9895   36.30752 197.9895   36.30752 ?          ?        140.0632 12.96112 ?        ?        ?         ?        
1 1 1 23 4  10 o 236.3070 9.962954 562.1992   47.08631 562.1992   47.08631 ?          ?        236.3070 9.962954 ?        ?        ?         ?        
1 1 1 23 4  11 o 71.68088 17.53246 55.02858   24.96142 55.02858   24.96142 ?          ?        71.68088 17.53246 ?        ?        ?         ?        
1 1 1 23 4  12 o 155.9916 10.00111 246.7777   31.20177 246.7777   31.20177 ?          ?        155.9916 10.00111 ?        ?        ?         ?        
1 1 1 23 4  13 o 78.61915 15.70891 66.37468   23.82681 66.37468   23.82681 ?          ?        78.61915 15.70891 ?        ?        ?         ?        
1 1 1 23 4  14 o 120.7055 9.869811 149.2012   23.82681 149.2012   23.82681 ?          ?        120.7055 9.869811 ?        ?        ?         ?        
1 1 1 23 4  15 o 43.10100 17.00105 13.61532   21.55759 13.61532   21.55759 ?          ?        43.10100 17.00105 ?        ?        ?         ?        
1 1 1 23 5  1  o 277.9234 14.39066 776.6405   79.99000 776.6405   79.99000 ?          ?        277.9234 14.39066 ?        ?        ?         ?        
1 1 1 23 5  2  o 174.1039 17.59551 305.7773   61.26894 305.7773   61.26894 ?          ?        174.1039 17.59551 ?        ?        ?         ?        
1 1 1 23 5  3  o 182.1171 27.41250 339.2484   99.84568 339.2484   99.84568 ?          ?        182.1171 27.41250 ?        ?        ?         ?        
1 1 1 23 5  4  o 214.0921 12.98411 460.6516   55.59589 460.6516   55.59589 ?          ?        214.0921 12.98411 ?        ?        ?         ?        
1 1 1 23 5  5  o 121.6111 16.56043 149.2012   40.27865 149.2012   40.27865 ?          ?        121.6111 16.56043 ?        ?        ?         ?        
1 1 1 23 5  6  o 302.3972 16.22762 923.5726   98.14376 923.5726   98.14376 ?          ?        302.3972 16.22762 ?        ?        ?         ?        
1 1 1 23 5  7  o 171.6911 13.38208 296.7005   45.95170 296.7005   45.95170 ?          ?        171.6911 13.38208 ?        ?        ?         ?        
1 1 1 23 5  8  o 58.39104 20.78128 30.06716   30.63447 30.06716   30.63447 ?          ?        58.39104 20.78128 ?        ?        ?         ?        
1 1 1 23 5  9  o 107.8642 16.04129 117.9994   34.60560 117.9994   34.60560 ?          ?        107.8642 16.04129 ?        ?        ?         ?        
1 1 1 23 5  10 o 255.3747 10.32979 656.9391   52.75936 656.9391   52.75936 ?          ?        255.3747 10.32979 ?        ?        ?         ?        
1 1 1 23 5  11 o 94.33434 13.83167 90.76879   26.09603 90.76879   26.09603 ?          ?        94.33434 13.83167 ?        ?        ?         ?        
1 1 1 23 5  12 o 209.3314 8.807761 443.0652   36.87482 443.0652   36.87482 ?          ?        209.3314 8.807761 ?        ?        ?         ?        
1 1 1 23 5  13 o 109.4579 11.66143 122.5379   25.52872 122.5379   25.52872 ?          ?        109.4579 11.66143 ?        ?        ?         ?        
1 1 1 23 5  14 o 183.6572 8.340123 343.2195   30.63447 343.2195   30.63447 ?          ?        183.6572 8.340123 ?        ?        ?         ?        
1 1 1 23 5  15 o 69.48604 15.11736 53.32666   20.42298 53.32666   20.42298 ?          ?        69.48604 15.11736 ?        ?        ?         ?        
1 1 1 23 6  0  o 248.2044 22.99683 635.9489   112.3264 635.9489   112.3264 635.9489   112.3264 248.2044 22.99683 248.2044 22.99683 -0.000000 0.000000 
1 1 1 23 6  1  o 252.8218 11.89263 641.6219   60.13433 641.6219   60.13433 ?          ?        252.8218 11.89263 ?        ?        ?         ?        
1 1 1 23 6  2  o 165.0955 15.97844 274.5756   52.75936 274.5756   52.75936 ?          ?        165.0955 15.97844 ?        ?        ?         ?        
1 1 1 23 6  3  o 77.36685 22.72043 61.83624   37.44213 61.83624   37.44213 ?          ?        77.36685 22.72043 ?        ?        ?         ?        
1 1 1 23 6  4  o 165.1673 12.19329 274.0083   40.27865 274.0083   40.27865 ?          ?        165.1673 12.19329 ?        ?        ?         ?        
1 1 1 23 6  5  o 192.2113 11.36314 371.0175   43.68248 371.0175   43.68248 ?          ?        192.2113 11.36314 ?        ?        ?         ?        
1 1 1 23 6  6  o 248.4129 10.16254 619.4970   50.49014 619.4970   50.49014 ?          ?        248.4129 10.16254 ?        ?        ?         ?        
1 1 1 23 6  7  o 304.1445 11.84433 929.8129   72.04772 929.8129   72.04772 ?          ?        304.1445 11.84433 ?        ?        ?         ?        
1 1 1 23 6  8  o 228.6364 11.53783 525.8917   52.75936 525.8917   52.75936 ?          ?        228.6364 11.53783 ?        ?        ?         ?        
1 1 1 23 6  9  o 116.6998 14.82676 137.8551   34.60560 137.8551   34.60560 ?          ?        116.6998 14.82676 ?        ?        ?         ?        
1 1 1 23 6  10 o 139.3606 10.58400 195.7202   29.49986 195.7202   29.49986 ?          ?        139.3606 10.58400 ?        ?        ?         ?        
1 1 1 23 6  11 o 46.19219 18.65423 10.77879   26.66333 10.77879   26.66333 ?          ?        46.19219 18.65423 ?        ?        ?         ?        
1 1 1 23 6  12 o 85.27873 16.21800 77.72078   26.66333 77.72078   26.66333 ?          ?        85.27873 16.21800 ?        ?        ?         ?        
1 1 1 23 6  13 o 93.63695 11.51126 89.63419   21.55759 89.63419   21.55759 ?          ?        93.63695 11.51126 ?        ?        ?         ?        
1 1 1 23 6  14 o 132.5224 9.631850 179.8357   25.52872 179.8357   25.52872 ?          ?        132.5224 9.631850 ?        ?        ?         ?        
1 1 1 23 6  15 o 46.40531 17.65273 18.72106   22.69220 18.72106   22.69220 ?          ?        46.40531 17.65273 ?        ?        ?         ?        
1 1 1 23 7  0  o 28.54299 21.13664 -192.3164  76.58617 -192.3164  76.58617 -192.3164  76.58617 28.54299 21.13664 28.54299 21.13664 -0.000000 0.000000 
1 1 1 23 7  1  o 144.7720 12.34362 210.4701   35.74022 210.4701   35.74022 ?          ?        144.7720 12.34362 ?        ?        ?         ?        
1 1 1 23 7  2  f 126.1365 20.68871 161.1146   52.19205 161.1146   52.19205 ?          ?        126.1365 20.68871 ?        ?        ?         ?        
1 1 1 23 7  3  o 230.0887 11.58829 531.5648   53.32666 531.5648   53.32666 ?          ?        230.0887 11.58829 ?        ?        ?         ?        
1 1 1 23 7  4  f 227.7523 13.07715 521.3533   59.56702 521.3533   59.56702 ?          ?        227.7523 13.07715 ?        ?        ?         ?        
1 1 1 23 7  5  o 161.2732 12.83948 261.5276   41.41326 261.5276   41.41326 ?          ?        161.2732 12.83948 ?        ?        ?         ?        
1 1 1 23 7  6  o 234.3311 9.199628 550.8531   43.11518 550.8531   43.11518 ?          ?        234.3311 9.199628 ?        ?        ?         ?        
1 1 1 23 7  7  o 188.9915 23.86390 364.7771   90.20149 364.7771   90.20149 ?          ?        188.9915 23.86390 ?        ?        ?         ?        
1 1 1 23 7  8  o 279.1133 11.28052 783.4482   62.97085 783.4482   62.97085 ?          ?        279.1133 11.28052 ?        ?        ?         ?        
1 1 1 23 7  9  o 190.1147 11.63766 364.2098   44.24979 364.2098   44.24979 ?          ?        190.1147 11.63766 ?        ?        ?         ?        
1 1 1 23 7  10 o 145.9116 11.85842 215.0086   34.60560 215.0086   34.60560 ?          ?        145.9116 11.85842 ?        ?        ?         ?        
1 1 1 23 7  11 o 99.79987 13.07418 101.5476   26.09603 101.5476   26.09603 ?          ?        99.79987 13.07418 ?        ?        ?         ?        
1 1 1 23 7  12 o 75.74201 18.17968 62.40355   27.23064 62.40355   27.23064 ?          ?        75.74201 18.17968 ?        ?        ?         ?        
1 1 1 23 7  13 o 89.04134 13.37963 81.69191   23.82681 81.69191   23.82681 ?          ?        89.04134 13.37963 ?        ?        ?         ?        
1 1 1 23 7  14 o 95.95375 11.52894 95.30723   22.12490 95.30723   22.12490 ?          ?        95.95375 11.52894 ?        ?        ?         ?        
1 1 1 23 7  15 o 32.01928 15.24687 -28.93255  26.66333 -28.93255  26.66333 ?          ?        32.01928 15.24687 ?        ?        ?         ?        
1 1 1 23 8  0  o 114.4619 43.09238 179.8357   91.90340 179.8357   91.90340 179.8357   91.90340 114.4619 43.09238 114.4619 43.09238 -0.000000 0.000000 
1 1 1 23 8  1  o 268.3248 11.62836 722.7465   62.40355 722.7465   62.40355 ?          ?        268.3248 11.62836 ?        ?        ?         ?        
1 1 1 23 8  2  o 50.33274 20.45688 10.21149   32.33638 10.21149   32.33638 ?          ?        50.33274 20.45688 ?        ?        ?         ?        
1 1 1 23 8  3  o 213.8520 12.60076 459.5170   53.89397 459.5170   53.89397 ?          ?        213.8520 12.60076 ?        ?        ?         ?        
1 1 1 23 8  4  o 374.2810 15.46034 1410.887   115.7302 1410.887   115.7302 ?          ?        374.2810 15.46034 ?        ?        ?         ?        
1 1 1 23 8  5  o 168.3190 12.30202 284.7871   41.41326 284.7871   41.41326 ?          ?        168.3190 12.30202 ?        ?        ?         ?        
1 1 1 23 8  6  o 228.1721 9.820896 522.4879   44.81709 522.4879   44.81709 ?          ?        228.1721 9.820896 ?        ?        ?         ?        
1 1 1 23 8  7  o 176.6992 16.37391 315.4216   57.86510 315.4216   57.86510 ?          ?        176.6992 16.37391 ?        ?        ?         ?        
1 1 1 23 8  8  o 183.2260 11.14633 337.5464   40.84595 337.5464   40.84595 ?          ?        183.2260 11.14633 ?        ?        ?         ?        
1 1 1 23 8  9  o 90.05206 18.58840 85.66305   32.33638 85.66305   32.33638 ?          ?        90.05206 18.58840 ?        ?        ?         ?        
1 1 1 23 8  10 o 248.2231 9.370403 620.0643   46.51900 620.0643   46.51900 ?          ?        248.2231 9.370403 ?        ?        ?         ?        
1 1 1 23 8  11 o 95.73962 13.33237 93.60532   25.52872 93.60532   25.52872 ?          ?        95.73962 13.33237 ?        ?        ?         ?        
1 1 1 23 8  12 o 104.8512 12.17379 112.3264   25.52872 112.3264   25.52872 ?          ?        104.8512 12.17379 ?        ?        ?         ?        
1 1 1 23 8  13 o 132.2178 10.51218 178.1338   27.79794 178.1338   27.79794 ?          ?        132.2178 10.51218 ?        ?        ?         ?        
1 1 1 23 8  14 o 101.8889 11.97094 107.7879   24.39412 107.7879   24.39412 ?          ?        101.8889 11.97094 ?        ?        ?         ?        
1 1 1 23 8  15 o 31.57560 15.16789 -35.17290  27.79794 -35.17290  27.79794 ?          ?        31.57560 15.16789 ?        ?        ?         ?        
1 1 1 23 9  0  o 571.5061 21.20708 3300.580   241.6719 3300.580   241.6719 3300.580   241.6719 571.5061 21.20708 571.5061 21.20708 -0.000000 0.000000 
1 1 1 23 9  1  o 178.9985 13.94504 322.2292   49.92284 322.2292   49.92284 ?          ?        178.9985 13.94504 ?        ?        ?         ?        
1 1 1 23 9  2  o 150.9021 11.46624 228.6239   34.60560 228.6239   34.60560 ?          ?        150.9021 11.46624 ?        ?        ?         ?        
1 1 1 23 9  3  o 313.4238 11.94617 986.5433   74.88425 986.5433   74.88425 ?          ?        313.4238 11.94617 ?        ?        ?         ?        
1 1 1 23 9  4  o 218.2746 11.17588 478.2381   48.78823 478.2381   48.78823 ?          ?        218.2746 11.17588 ?        ?        ?         ?        
1 1 1 23 9  5  o 168.4623 12.45993 285.3544   41.98057 285.3544   41.98057 ?          ?        168.4623 12.45993 ?        ?        ?         ?        
1 1 1 23 9  6  o 133.1679 11.07619 178.1338   29.49986 178.1338   29.49986 ?          ?        133.1679 11.07619 ?        ?        ?         ?        
1 1 1 23 9  7  o 354.3335 14.32938 1265.657   101.5476 1265.657   101.5476 ?          ?        354.3335 14.32938 ?        ?        ?         ?        
1 1 1 23 9  8  o 121.6615 13.52264 149.2012   32.90369 149.2012   32.90369 ?          ?        121.6615 13.52264 ?        ?        ?         ?        
1 1 1 23 9  9  o 304.9719 9.765986 935.4859   59.56702 935.4859   59.56702 ?          ?        304.9719 9.765986 ?        ?        ?         ?        
1 1 1 23 9  10 o 176.1795 9.660121 312.5851   34.03830 312.5851   34.03830 ?          ?        176.1795 9.660121 ?        ?        ?         ?        
1 1 1 23 9  11 o 132.0843 12.02606 177.5665   31.76908 177.5665   31.76908 ?          ?        132.0843 12.02606 ?        ?        ?         ?        
1 1 1 23 9  12 o 84.19952 15.39525 75.45156   24.96142 75.45156   24.96142 ?          ?        84.19952 15.39525 ?        ?        ?         ?        
1 1 1 23 9  13 o 99.50249 13.39832 102.1149   26.66333 102.1149   26.66333 ?          ?        99.50249 13.39832 ?        ?        ?         ?        
1 1 1 23 9  14 o 64.06270 20.22640 45.95170   28.93255 45.95170   28.93255 ?          ?        64.06270 20.22640 ?        ?        ?         ?        
1 1 1 23 9  15 o 59.40109 18.01491 39.71135   23.25950 39.71135   23.25950 ?          ?        59.40109 18.01491 ?        ?        ?         ?        
1 1 1 23 10 0  o 303.3347 14.94557 929.8129   90.20149 929.8129   90.20149 929.8129   90.20149 303.3347 14.94557 303.3347 14.94557 -0.000000 0.000000 
1 1 1 23 10 1  o 248.0377 10.40664 617.2278   51.62476 617.2278   51.62476 ?          ?        248.0377 10.40664 ?        ?        ?         ?        
1 1 1 23 10 2  o 69.73831 23.92404 45.38440   40.27865 45.38440   40.27865 ?          ?        69.73831 23.92404 ?        ?        ?         ?        
1 1 1 23 10 3  o 120.7972 15.26311 146.9320   36.87482 146.9320   36.87482 ?          ?        120.7972 15.26311 ?        ?        ?         ?        
1 1 1 23 10 4  o 99.83507 20.02608 104.3841   38.57674 104.3841   38.57674 ?          ?        99.83507 20.02608 ?        ?        ?         ?        
1 1 1 23 10 5  o 186.4017 10.65209 348.8925   39.71135 348.8925   39.71135 ?          ?        186.4017 10.65209 ?        ?        ?         ?        
1 1 1 23 10 6  o 203.4742 11.01297 415.8346   44.81709 415.8346   44.81709 ?          ?        203.4742 11.01297 ?        ?        ?         ?        
1 1 1 23 10 7  o 206.9409 12.88451 431.1518   53.32666 431.1518   53.32666 ?          ?        206.9409 12.88451 ?        ?        ?         ?        
1 1 1 23 10 8  o 203.4733 9.897773 415.8346   40.27865 415.8346   40.27865 ?          ?        203.4733 9.897773 ?        ?        ?         ?        
1 1 1 23 10 9  o 234.5339 9.312616 553.1223   43.68248 553.1223   43.68248 ?          ?        234.5339 9.312616 ?        ?        ?         ?        
1 1 1 23 10 10 o 247.8571 9.040913 618.3624   44.81709 618.3624   44.81709 ?          ?        247.8571 9.040913 ?        ?        ?         ?        
1 1 1 23 10 11 o 248.2696 8.797388 622.3336   43.68248 622.3336   43.68248 ?          ?        248.2696 8.797388 ?        ?        ?         ?        
1 1 1 23 10 12 o 198.0898 9.021216 397.1135   35.74022 397.1135   35.74022 ?          ?        198.0898 9.021216 ?        ?        ?         ?        
1 1 1 23 10 13 o 202.8407 9.089603 417.5364   36.87482 417.5364   36.87482 ?          ?        202.8407 9.089603 ?        ?        ?         ?        
1 1 1 23 10 14 f 49.75720 19.38646 19.85567   27.79794 19.85567   27.79794 ?          ?        49.75720 19.38646 ?        ?        ?         ?        
1 1 1 23 10 15 o 62.54910 17.17125 44.24979   22.12490 44.24979   22.12490 ?          ?        62.54910 17.17125 ?        ?        ?         ?        
1 1 1 23 11 0  o 436.0339 21.05173 1927.135   182.6722 1927.135   182.6722 1927.135   182.6722 436.0339 21.05173 436.0339 21.05173 -0.000000 0.000000 
1 1 1 23 11 1  f 136.4583 13.30352 187.2106   36.30752 187.2106   36.30752 ?          ?        136.4583 13.30352 ?        ?        ?         ?        
1 1 1 23 11 2  o 161.4997 15.28038 262.6622   49.35553 262.6622   49.35553 ?          ?        161.4997 15.28038 ?        ?        ?         ?        
1 1 1 23 11 3  o 231.6854 11.63085 538.9397   53.89397 538.9397   53.89397 ?          ?        231.6854 11.63085 ?        ?        ?         ?        
1 1 1 23 11 4  o 373.1634 13.15024 1400.109   98.14376 1400.109   98.14376 ?          ?        373.1634 13.15024 ?        ?        ?         ?        
1 1 1 23 11 5  o 104.5198 14.11209 110.0572   29.49986 110.0572   29.49986 ?          ?        104.5198 14.11209 ?        ?        ?         ?        
1 1 1 23 11 6  o 249.1265 11.27202 623.4681   56.16319 623.4681   56.16319 ?          ?        249.1265 11.27202 ?        ?        ?         ?        
1 1 1 23 11 7  o 304.6519 11.91770 933.7840   72.61504 933.7840   72.61504 ?          ?        304.6519 11.91770 ?        ?        ?         ?        
1 1 1 23 11 8  o 208.9912 9.229274 438.5268   38.57674 438.5268   38.57674 ?          ?        208.9912 9.229274 ?        ?        ?         ?        
1 1 1 23 11 9  o 131.2776 12.53211 174.1626   32.90369 174.1626   32.90369 ?          ?        131.2776 12.53211 ?        ?        ?         ?        
1 1 1 23 11 10 o 109.7871 13.95176 122.5379   30.63447 122.5379   30.63447 ?          ?        109.7871 13.95176 ?        ?        ?         ?        
1 1 1 23 11 11 o 144.5300 10.20545 211.6048   29.49986 211.6048   29.49986 ?          ?        144.5300 10.20545 ?        ?        ?         ?        
1 1 1 23 11 12 o 80.27771 17.44813 69.77851   27.23064 69.77851   27.23064 ?          ?        80.27771 17.44813 ?        ?        ?         ?        
1 1 1 23 11 13 o 123.9780 10.98204 157.1435   27.23064 157.1435   27.23064 ?          ?        123.9780 10.98204 ?        ?        ?         ?        
1 1 1 23 11 14 f 48.40961 17.81980 21.55759   22.69220 21.55759   22.69220 ?          ?        48.40961 17.81980 ?        ?        ?         ?        
1 1 1 23 11 15 o 45.06513 17.34944 17.01915   22.12490 17.01915   22.12490 ?          ?        45.06513 17.34944 ?        ?        ?         ?        
1 1 1 23 12 0  o 331.1750 14.27516 1106.245   94.17262 1106.245   94.17262 1106.245   94.17262 331.1750 14.27516 331.1750 14.27516 -0.000000 0.000000 
1 1 1 23 12 1  o 411.4696 11.30558 1699.646   93.03801 1699.646   93.03801 ?          ?        411.4696 11.30558 ?        ?        ?         ?        
1 1 1 23 12 2  o 181.6393 9.057424 330.7388   32.90369 330.7388   32.90369 ?          ?        181.6393 9.057424 ?        ?        ?         ?        
1 1 1 23 12 3  o 412.9426 12.57037 1713.261   103.8168 1713.261   103.8168 ?          ?        412.9426 12.57037 ?        ?        ?         ?        
1 1 1 23 12 4  o 188.5791 10.22826 356.8348   38.57674 356.8348   38.57674 ?          ?        188.5791 10.22826 ?        ?        ?         ?        
1 1 1 23 12 5  o 294.5048 11.84675 871.9477   69.77851 871.9477   69.77851 ?          ?        294.5048 11.84675 ?        ?        ?         ?        
1 1 1 23 12 6  o 110.6771 16.40246 123.6725   36.30752 123.6725   36.30752 ?          ?        110.6771 16.40246 ?        ?        ?         ?        
1 1 1 23 12 7  o 122.0775 13.94127 150.3358   34.03830 150.3358   34.03830 ?          ?        122.0775 13.94127 ?        ?        ?         ?        
1 1 1 23 12 8  o 237.3194 9.203309 565.6030   43.68248 565.6030   43.68248 ?          ?        237.3194 9.203309 ?        ?        ?         ?        
1 1 1 23 12 9  o 154.7653 11.36331 241.6719   35.17290 241.6719   35.17290 ?          ?        154.7653 11.36331 ?        ?        ?         ?        
1 1 1 23 12 10 o 158.3275 10.21187 253.0180   32.33638 253.0180   32.33638 ?          ?        158.3275 10.21187 ?        ?        ?         ?        
1 1 1 23 12 11 o 170.1026 10.50549 293.2967   35.74022 293.2967   35.74022 ?          ?        170.1026 10.50549 ?        ?        ?         ?        
1 1 1 23 12 12 o 72.03371 16.82621 56.16319   23.82681 56.16319   23.82681 ?          ?        72.03371 16.82621 ?        ?        ?         ?        
1 1 1 23 12 13 o 210.1551 10.12297 450.4402   42.54787 450.4402   42.54787 ?          ?        210.1551 10.12297 ?        ?        ?         ?        
1 1 1 23 12 14 o 41.06433 16.69859 9.076880   21.55759 9.076880   21.55759 ?          ?        41.06433 16.69859 ?        ?        ?         ?        
1 1 1 23 12 15 f 63.34261 17.07504 45.38440   22.12490 45.38440   22.12490 ?          ?        63.34261 17.07504 ?        ?        ?         ?        
1 1 1 23 13 0  o 517.5129 19.29703 2704.343   199.1240 2704.343   199.1240 2704.343   199.1240 517.5129 19.29703 517.5129 19.29703 -0.000000 0.000000 
1 1 1 23 13 1  o 360.2092 11.96948 1303.099   86.23035 1303.099   86.23035 ?          ?        360.2092 11.96948 ?        ?        ?         ?        
1 1 1 23 13 2  o 80.37207 24.16780 66.37468   41.98057 66.37468   41.98057 ?          ?        80.37207 24.16780 ?        ?        ?         ?        
1 1 1 23 13 3  o 448.8246 13.33498 2025.279   119.7014 2025.279   119.7014 ?          ?        448.8246 13.33498 ?        ?        ?         ?        
1 1 1 23 13 4  o 98.21089 20.84789 101.5476   39.71135 101.5476   39.71135 ?          ?        98.21089 20.84789 ?        ?        ?         ?        
1 1 1 23 13 5  o 208.5877 11.83088 437.3921   49.35553 437.3921   49.35553 ?          ?        208.5877 11.83088 ?        ?        ?         ?        
1 1 1 23 13 6  o 301.8264 10.33766 914.4956   62.40355 914.4956   62.40355 ?          ?        301.8264 10.33766 ?        ?        ?         ?        
1 1 1 23 13 7  o 101.5471 16.20120 104.3841   32.90369 104.3841   32.90369 ?          ?        101.5471 16.20120 ?        ?        ?         ?        
1 1 1 23 13 8  o 125.7814 11.95215 159.4127   30.06716 159.4127   30.06716 ?          ?        125.7814 11.95215 ?        ?        ?         ?        
1 1 1 23 13 9  o 339.0422 10.20687 1157.870   69.21120 1157.870   69.21120 ?          ?        339.0422 10.20687 ?        ?        ?         ?        
1 1 1 23 13 10 o 98.39951 14.70157 98.71106   28.93255 98.71106   28.93255 ?          ?        98.39951 14.70157 ?        ?        ?         ?        
1 1 1 23 13 11 o 177.1152 9.448936 317.1235   33.47099 317.1235   33.47099 ?          ?        177.1152 9.448936 ?        ?        ?         ?        
1 1 1 23 13 12 o 218.2889 8.706222 482.2092   38.00943 482.2092   38.00943 ?          ?        218.2889 8.706222 ?        ?        ?         ?        
1 1 1 23 13 13 o 186.7942 9.718591 355.7002   36.30752 355.7002   36.30752 ?          ?        186.7942 9.718591 ?        ?        ?         ?        
1 1 1 23 13 14 o 33.09062 15.02321 -10.21149  21.55759 -10.21149  21.55759 ?          ?        33.09062 15.02321 ?        ?        ?         ?        
1 1 1 23 13 15 o 39.47242 16.32737 7.374964   20.99029 7.374964   20.99029 ?          ?        39.47242 16.32737 ?        ?        ?         ?        
1 1 1 23 14 0  o 99.41818 25.80316 117.4321   44.24979 117.4321   44.24979 117.4321   44.24979 99.41818 25.80316 99.41818 25.80316 -0.000000 0.000000 
1 1 1 23 14 1  o 385.0231 11.27175 1488.041   86.79766 1488.041   86.79766 ?          ?        385.0231 11.27175 ?        ?        ?         ?        
1 1 1 23 14 2  o 179.9511 11.34918 325.0657   40.84595 325.0657   40.84595 ?          ?        179.9511 11.34918 ?        ?        ?         ?        
1 1 1 23 14 3  o 151.9772 12.13169 232.0277   36.87482 232.0277   36.87482 ?          ?        151.9772 12.13169 ?        ?        ?         ?        
1 1 1 23 14 4  o 66.74967 22.17760 43.11518   34.60560 43.11518   34.60560 ?          ?        66.74967 22.17760 ?        ?        ?         ?        
1 1 1 23 14 5  o 269.4200 10.73883 728.9869   57.86510 728.9869   57.86510 ?          ?        269.4200 10.73883 ?        ?        ?         ?        
1 1 1 23 14 6  o 156.4353 12.87390 246.2104   40.27865 246.2104   40.27865 ?          ?        156.4353 12.87390 ?        ?        ?         ?        
1 1 1 23 14 7  o 144.6246 11.57168 210.4701   33.47099 210.4701   33.47099 ?          ?        144.6246 11.57168 ?        ?        ?         ?        
1 1 1 23 14 8  o 99.87320 15.05267 100.9803   30.06716 100.9803   30.06716 ?          ?        99.87320 15.05267 ?        ?        ?         ?        
1 1 1 23 14 9  o 91.39196 17.38666 87.93227   30.63447 87.93227   30.63447 ?          ?        91.39196 17.38666 ?        ?        ?         ?        
1 1 1 23 14 10 o 123.9746 13.04153 156.0089   32.33638 156.0089   32.33638 ?          ?        123.9746 13.04153 ?        ?        ?         ?        
1 1 1 23 14 11 o 66.99829 18.74553 48.22092   26.09603 48.22092   26.09603 ?          ?        66.99829 18.74553 ?        ?        ?         ?        
1 1 1 23 14 12 o 33.48122 15.40089 -16.45185  23.82681 -16.45185  23.82681 ?          ?        33.48122 15.40089 ?        ?        ?         ?        
1 1 1 23 14 13 o 89.90642 17.34018 88.49958   30.06716 88.49958   30.06716 ?          ?        89.90642 17.34018 ?        ?        ?         ?        
1 1 1 23 14 14 o 34.02424 15.43715 -10.21149  22.69220 -10.21149  22.69220 ?          ?        34.02424 15.43715 ?        ?        ?         ?        
1 1 1 23 14 15 o 77.01980 15.64415 65.80738   23.25950 65.80738   23.25950 ?          ?        77.01980 15.64415 ?        ?        ?         ?        
1 1 1 23 15 0  o 159.6555 21.38720 270.0372   66.37468 270.0372   66.37468 270.0372   66.37468 159.6555 21.38720 159.6555 21.38720 -0.000000 0.000000 
1 1 1 23 15 1  o 640.2468 15.15184 4127.144   194.0183 4127.144   194.0183 ?          ?        640.2468 15.15184 ?        ?        ?         ?        
1 1 1 23 15 2  o 138.1364 12.73122 191.7491   35.17290 191.7491   35.17290 ?          ?        138.1364 12.73122 ?        ?        ?         ?        
1 1 1 23 15 3  o 165.8642 11.45800 276.2775   38.00943 276.2775   38.00943 ?          ?        165.8642 11.45800 ?        ?        ?         ?        
1 1 1 23 15 4  o 257.6350 9.578577 666.0161   49.35553 666.0161   49.35553 ?          ?        257.6350 9.578577 ?        ?        ?         ?        
1 1 1 23 15 5  o 511.8929 16.90080 2647.612   173.0280 2647.612   173.0280 ?          ?        511.8929 16.90080 ?        ?        ?         ?        
1 1 1 23 15 6  o 177.6196 11.65786 317.1235   41.41326 317.1235   41.41326 ?          ?        177.6196 11.65786 ?        ?        ?         ?        
1 1 1 23 15 7  o 123.7290 13.29667 154.3070   32.90369 154.3070   32.90369 ?          ?        123.7290 13.29667 ?        ?        ?         ?        
1 1 1 23 15 8  o 48.38922 19.70622 9.644185   30.06716 9.644185   30.06716 ?          ?        48.38922 19.70622 ?        ?        ?         ?        
1 1 1 23 15 9  o 311.8181 9.733502 978.6010   60.70163 978.6010   60.70163 ?          ?        311.8181 9.733502 ?        ?        ?         ?        
1 1 1 23 15 10 o 211.4840 8.986360 450.4402   38.00943 450.4402   38.00943 ?          ?        211.4840 8.986360 ?        ?        ?         ?        
1 1 1 23 15 11 o 212.5860 9.206637 456.6805   39.14404 456.6805   39.14404 ?          ?        212.5860 9.206637 ?        ?        ?         ?        
1 1 1 23 15 12 o 33.97271 15.74795 -19.85567  25.52872 -19.85567  25.52872 ?          ?        33.97271 15.74795 ?        ?        ?         ?        
1 1 1 23 15 13 o 263.7257 10.21781 711.9677   53.89397 711.9677   53.89397 ?          ?        263.7257 10.21781 ?        ?        ?         ?        
1 1 1 23 15 14 o 39.11163 17.52365 -7.942269  28.36525 -7.942269  28.36525 ?          ?        39.11163 17.52365 ?        ?        ?         ?        
1 1 1 23 15 15 f 68.46825 17.36648 53.32666   23.82681 53.32666   23.82681 ?          ?        68.46825 17.36648 ?        ?        ?         ?        
1 1 1 23 16 0  o 620.3840 22.92935 3894.549   283.6525 3894.549   283.6525 3894.549   283.6525 620.3840 22.92935 620.3840 22.92935 -0.000000 0.000000 
1 1 1 23 16 1  o 372.7136 9.969713 1393.301   74.31695 1393.301   74.31695 ?          ?        372.7136 9.969713 ?        ?        ?         ?        
1 1 1 23 16 2  o 330.6509 9.865401 1096.600   65.24007 1096.600   65.24007 ?          ?        330.6509 9.865401 ?        ?        ?         ?        
1 1 1 23 16 3  o 228.5513 8.439404 523.6225   38.57674 523.6225   38.57674 ?          ?        228.5513 8.439404 ?        ?        ?         ?        
1 1 1 23 16 4  o 321.8866 9.781528 1039.870   62.97085 1039.870   62.97085 ?          ?        321.8866 9.781528 ?        ?        ?         ?        
1 1 1 23 16 5  o 377.2347 11.80523 1430.176   89.06688 1430.176   89.06688 ?          ?        377.2347 11.80523 ?        ?        ?         ?        
1 1 1 23 16 6  o 191.3903 11.26368 368.1809   43.11518 368.1809   43.11518 ?          ?        191.3903 11.26368 ?        ?        ?         ?        
1 1 1 23 16 7  o 182.3187 12.60203 334.7099   45.95170 334.7099   45.95170 ?          ?        182.3187 12.60203 ?        ?        ?         ?        
1 1 1 23 16 8  o 130.7425 12.58339 172.4607   32.90369 172.4607   32.90369 ?          ?        130.7425 12.58339 ?        ?        ?         ?        
1 1 1 23 16 9  o 330.5614 12.27073 1103.975   81.12460 1103.975   81.12460 ?          ?        330.5614 12.27073 ?        ?        ?         ?        
1 1 1 23 16 10 o 79.93266 17.17249 68.07660   26.66333 68.07660   26.66333 ?          ?        79.93266 17.17249 ?        ?        ?         ?        
1 1 1 23 16 11 o 49.79718 18.78767 19.85567   25.52872 19.85567   25.52872 ?          ?        49.79718 18.78767 ?        ?        ?         ?        
1 1 1 23 16 12 o 199.9428 8.937609 405.0558   35.74022 405.0558   35.74022 ?          ?        199.9428 8.937609 ?        ?        ?         ?        
1 1 1 23 16 13 o 70.85105 18.87290 56.16319   27.23064 56.16319   27.23064 ?          ?        70.85105 18.87290 ?        ?        ?         ?        
1 1 1 23 16 14 o 70.31793 16.41763 55.02858   22.69220 55.02858   22.69220 ?          ?        70.31793 16.41763 ?        ?        ?         ?        
1 1 1 23 16 15 o 48.15261 18.30703 20.99029   24.39412 20.99029   24.39412 ?          ?        48.15261 18.30703 ?        ?        ?         ?        
1 1 1 23 17 0  o 70.74615 30.35955 72.04772   43.68248 72.04772   43.68248 72.04772   43.68248 70.74615 30.35955 70.74615 30.35955 -0.000000 0.000000 
1 1 1 23 17 1  o 166.6109 10.55540 278.5467   35.17290 278.5467   35.17290 ?          ?        166.6109 10.55540 ?        ?        ?         ?        
1 1 1 23 17 2  o 322.2884 8.273129 1041.005   53.32666 1041.005   53.32666 ?          ?        322.2884 8.273129 ?        ?        ?         ?        
1 1 1 23 17 3  o 453.2854 12.13994 2065.557   110.0572 2065.557   110.0572 ?          ?        453.2854 12.13994 ?        ?        ?         ?        
1 1 1 23 17 4  o 152.1987 10.43671 232.5950   31.76908 232.5950   31.76908 ?          ?        152.1987 10.43671 ?        ?        ?         ?        
1 1 1 23 17 5  o 121.9971 13.25294 149.7685   32.33638 149.7685   32.33638 ?          ?        121.9971 13.25294 ?        ?        ?         ?        
1 1 1 23 17 6  o 66.94934 23.05668 41.98057   37.44213 41.98057   37.44213 ?          ?        66.94934 23.05668 ?        ?        ?         ?        
1 1 1 23 17 7  o 288.9165 10.70140 839.0439   61.83624 839.0439   61.83624 ?          ?        288.9165 10.70140 ?        ?        ?         ?        
1 1 1 23 17 8  o 46.19197 19.64321 1.134610   31.76908 1.134610   31.76908 ?          ?        46.19197 19.64321 ?        ?        ?         ?        
1 1 1 23 17 9  o 135.9134 12.10465 186.6433   32.90369 186.6433   32.90369 ?          ?        135.9134 12.10465 ?        ?        ?         ?        
1 1 1 23 17 10 o 146.3946 10.26922 216.7105   30.06716 216.7105   30.06716 ?          ?        146.3946 10.26922 ?        ?        ?         ?        
1 1 1 23 17 11 o 132.5017 11.34596 178.7011   30.06716 178.7011   30.06716 ?          ?        132.5017 11.34596 ?        ?        ?         ?        
1 1 1 23 17 12 f 217.1426 8.882813 477.6707   38.57674 477.6707   38.57674 ?          ?        217.1426 8.882813 ?        ?        ?         ?        
1 1 1 23 17 13 o 122.7788 12.47547 156.0089   30.63447 156.0089   30.63447 ?          ?        122.7788 12.47547 ?        ?        ?         ?        
1 1 1 23 17 14 o 85.38451 15.87493 79.99000   26.09603 79.99000   26.09603 ?          ?        85.38451 15.87493 ?        ?        ?         ?        
1 1 1 23 17 15 o 80.65019 17.05551 73.74965   26.66333 73.74965   26.66333 ?          ?        80.65019 17.05551 ?        ?        ?         ?        
1 1 1 23 18 0  o 37.97484 23.92480 8.509575   37.44213 8.509575   37.44213 8.509575   37.44213 37.97484 23.92480 37.97484 23.92480 -0.000000 0.000000 
1 1 1 23 18 1  o 557.5594 13.68509 3127.552   152.6050 3127.552   152.6050 ?          ?        557.5594 13.68509 ?        ?        ?         ?        
1 1 1 23 18 2  o 119.9276 13.00858 144.6628   31.20177 144.6628   31.20177 ?          ?        119.9276 13.00858 ?        ?        ?         ?        
1 1 1 23 18 3  o 228.1128 8.953016 521.9205   40.84595 521.9205   40.84595 ?          ?        228.1128 8.953016 ?        ?        ?         ?        
1 1 1 23 18 4  o 139.3648 11.39781 195.1529   31.76908 195.1529   31.76908 ?          ?        139.3648 11.39781 ?        ?        ?         ?        
1 1 1 23 18 5  o 63.58986 19.77770 40.84595   27.79794 40.84595   27.79794 ?          ?        63.58986 19.77770 ?        ?        ?         ?        
1 1 1 23 18 6  o 115.0070 13.07189 133.3167   30.06716 133.3167   30.06716 ?          ?        115.0070 13.07189 ?        ?        ?         ?        
1 1 1 23 18 7  o 154.7499 11.73103 241.1046   36.30752 241.1046   36.30752 ?          ?        154.7499 11.73103 ?        ?        ?         ?        
1 1 1 23 18 8  o 53.33796 23.89832 -20.42298  52.75936 -20.42298  52.75936 ?          ?        53.33796 23.89832 ?        ?        ?         ?        
1 1 1 23 18 9  o 100.1151 15.58295 102.1149   31.20177 102.1149   31.20177 ?          ?        100.1151 15.58295 ?        ?        ?         ?        
1 1 1 23 18 10 o 67.55034 19.75580 48.78823   28.36525 48.78823   28.36525 ?          ?        67.55034 19.75580 ?        ?        ?         ?        
1 1 1 23 18 11 o 153.1774 11.11075 238.8354   34.03830 238.8354   34.03830 ?          ?        153.1774 11.11075 ?        ?        ?         ?        
1 1 1 23 18 12 o 61.74015 18.90318 40.84595   25.52872 40.84595   25.52872 ?          ?        61.74015 18.90318 ?        ?        ?         ?        
1 1 1 23 18 13 o 122.0173 11.85592 153.7396   28.93255 153.7396   28.93255 ?          ?        122.0173 11.85592 ?        ?        ?         ?        
1 1 1 23 18 14 o 30.72234 14.52656 -24.96142  23.82681 -24.96142  23.82681 ?          ?        30.72234 14.52656 ?        ?        ?         ?        
1 1 1 23 18 15 o 52.64327 18.36740 29.49986   23.82681 29.49986   23.82681 ?          ?        52.64327 18.36740 ?        ?        ?         ?        
1 1 1 23 19 0  o 302.0091 11.87402 918.4667   71.48043 918.4667   71.48043 918.4667   71.48043 302.0091 11.87402 302.0091 11.87402 -0.000000 0.000000 
1 1 1 23 19 1  o 664.0229 15.80539 4447.104   209.9028 4447.104   209.9028 ?          ?        664.0229 15.80539 ?        ?        ?         ?        
1 1 1 23 19 2  o 228.7706 8.555304 524.7571   39.14404 524.7571   39.14404 ?          ?        228.7706 8.555304 ?        ?        ?         ?        
1 1 1 23 19 3  o 174.5713 9.424142 305.7773   32.90369 305.7773   32.90369 ?          ?        174.5713 9.424142 ?        ?        ?         ?        
1 1 1 23 19 4  o 159.4173 11.20964 255.2872   35.74022 255.2872   35.74022 ?          ?        159.4173 11.20964 ?        ?        ?         ?        
1 1 1 23 19 5  o 400.6942 10.47696 1612.281   83.96114 1612.281   83.96114 ?          ?        400.6942 10.47696 ?        ?        ?         ?        
1 1 1 23 19 6  o 99.63985 15.65728 100.4130   31.20177 100.4130   31.20177 ?          ?        99.63985 15.65728 ?        ?        ?         ?        
1 1 1 23 19 7  f 208.7538 9.647406 437.9594   40.27865 437.9594   40.27865 ?          ?        208.7538 9.647406 ?        ?        ?         ?        
1 1 1 23 19 8  o 44.55043 20.97341 -51.62476  48.78823 -51.62476  48.78823 ?          ?        44.55043 20.97341 ?        ?        ?         ?        
1 1 1 23 19 9  o 109.3380 15.30621 121.9706   33.47099 121.9706   33.47099 ?          ?        109.3380 15.30621 ?        ?        ?         ?        
1 1 1 23 19 10 o 120.2371 12.73919 147.4993   30.63447 147.4993   30.63447 ?          ?        120.2371 12.73919 ?        ?        ?         ?        
1 1 1 23 19 11 o 165.3085 9.437437 276.8448   31.20177 276.8448   31.20177 ?          ?        165.3085 9.437437 ?        ?        ?         ?        
1 1 1 23 19 12 o 113.5639 10.99003 131.6148   24.96142 131.6148   24.96142 ?          ?        113.5639 10.99003 ?        ?        ?         ?        
1 1 1 23 19 13 o 227.2851 9.859222 529.2956   44.81709 529.2956   44.81709 ?          ?        227.2851 9.859222 ?        ?        ?         ?        
1 1 1 23 19 14 o 51.47826 17.92821 27.23064   22.69220 27.23064   22.69220 ?          ?        51.47826 17.92821 ?        ?        ?         ?        
1 1 1 23 19 15 o 85.44029 13.61155 77.72078   23.25950 77.72078   23.25950 ?          ?        85.44029 13.61155 ?        ?        ?         ?        
1 1 1 23 20 0  o 124.1477 16.61881 158.2781   40.84595 158.2781   40.84595 158.2781   40.84595 124.1477 16.61881 124.1477 16.61881 -0.000000 0.000000 
1 1 1 23 20 1  o 246.3011 9.673853 608.7182   47.65361 608.7182   47.65361 ?          ?        246.3011 9.673853 ?        ?        ?         ?        
1 1 1 23 20 2  o 104.2119 14.69816 109.4899   30.63447 109.4899   30.63447 ?          ?        104.2119 14.69816 ?        ?        ?         ?        
1 1 1 23 20 3  o 39.57864 17.79733 -14.18262  29.49986 -14.18262  29.49986 ?          ?        39.57864 17.79733 ?        ?        ?         ?        
1 1 1 23 20 4  o 320.2478 8.945854 1028.524   57.29780 1028.524   57.29780 ?          ?        320.2478 8.945854 ?        ?        ?         ?        
1 1 1 23 20 5  o 201.1619 9.588483 406.1903   38.57674 406.1903   38.57674 ?          ?        201.1619 9.588483 ?        ?        ?         ?        
1 1 1 23 20 6  o 180.3113 10.69726 326.7676   38.57674 326.7676   38.57674 ?          ?        180.3113 10.69726 ?        ?        ?         ?        
1 1 1 23 20 7  o 67.55984 21.16954 46.51900   31.76908 46.51900   31.76908 ?          ?        67.55984 21.16954 ?        ?        ?         ?        
1 1 1 23 20 8  o 67.13142 24.85501 38.00943   44.24979 38.00943   44.24979 ?          ?        67.13142 24.85501 ?        ?        ?         ?        
1 1 1 23 20 9  o 352.9950 11.57126 1261.119   81.69191 1261.119   81.69191 ?          ?        352.9950 11.57126 ?        ?        ?         ?        
1 1 1 23 20 10 o 133.5651 12.95459 182.1049   34.60560 182.1049   34.60560 ?          ?        133.5651 12.95459 ?        ?        ?         ?        
1 1 1 23 20 11 o 62.35985 19.11597 41.41326   26.09603 41.41326   26.09603 ?          ?        62.35985 19.11597 ?        ?        ?         ?        
1 1 1 23 20 12 o 135.2023 10.90953 186.6433   29.49986 186.6433   29.49986 ?          ?        135.2023 10.90953 ?        ?        ?         ?        
1 1 1 23 20 13 o 157.3587 11.53655 256.4218   36.30752 256.4218   36.30752 ?          ?        157.3587 11.53655 ?        ?        ?         ?        
1 1 1 23 20 14 o 63.28306 17.97885 45.38440   23.82681 45.38440   23.82681 ?          ?        63.28306 17.97885 ?        ?        ?         ?        
1 1 1 23 21 0  o 249.9739 11.39814 630.2758   56.73050 630.2758   56.73050 630.2758   56.73050 249.9739 11.39814 249.9739 11.39814 -0.000000 0.000000 
1 1 1 23 21 1  o 259.9140 8.403256 677.3621   43.68248 677.3621   43.68248 ?          ?        259.9140 8.403256 ?        ?        ?         ?        
1 1 1 23 21 2  f 172.6615 8.706970 298.9697   30.06716 298.9697   30.06716 ?          ?        172.6615 8.706970 ?        ?        ?         ?        
1 1 1 23 21 3  o 138.2007 10.46759 191.7491   28.93255 191.7491   28.93255 ?          ?        138.2007 10.46759 ?        ?        ?         ?        
1 1 1 23 21 4  o 117.5809 12.06201 138.9897   28.36525 138.9897   28.36525 ?          ?        117.5809 12.06201 ?        ?        ?         ?        
1 1 1 23 21 5  f 107.9470 13.13851 117.4321   28.36525 117.4321   28.36525 ?          ?        107.9470 13.13851 ?        ?        ?         ?        
1 1 1 23 21 6  o 62.95990 20.47630 39.14404   29.49986 39.14404   29.49986 ?          ?        62.95990 20.47630 ?        ?        ?         ?        
1 1 1 23 21 7  o 126.6924 13.88123 162.2492   35.17290 162.2492   35.17290 ?          ?        126.6924 13.88123 ?        ?        ?         ?        
1 1 1 23 21 8  o 173.1364 9.993738 301.8062   34.60560 301.8062   34.60560 ?          ?        173.1364 9.993738 ?        ?        ?         ?        
1 1 1 23 21 9  o 284.1763 10.38083 815.2172   58.99971 815.2172   58.99971 ?          ?        284.1763 10.38083 ?        ?        ?         ?        
1 1 1 23 21 10 o 257.8924 10.11896 673.3909   52.19205 673.3909   52.19205 ?          ?        257.8924 10.11896 ?        ?        ?         ?        
1 1 1 23 21 11 o 29.07861 14.19885 -48.78823  27.23064 -48.78823  27.23064 ?          ?        29.07861 14.19885 ?        ?        ?         ?        
1 1 1 23 21 12 o 44.14397 18.55393 5.673049   27.79794 5.673049   27.79794 ?          ?        44.14397 18.55393 ?        ?        ?         ?        
1 1 1 23 21 13 o 116.1530 12.94292 140.6916   30.06716 140.6916   30.06716 ?          ?        116.1530 12.94292 ?        ?        ?         ?        
1 1 1 23 21 14 o 57.77574 19.86954 36.30752   27.79794 36.30752   27.79794 ?          ?        57.77574 19.86954 ?        ?        ?         ?        
1 1 1 23 22 0  f 225.2771 11.64995 512.8437   52.19205 512.8437   52.19205 512.8437   52.19205 225.2771 11.64995 225.2771 11.64995 -0.000000 0.000000 
1 1 1 23 22 1  o 349.6564 9.248046 1226.513   64.67276 1226.513   64.67276 ?          ?        349.6564 9.248046 ?        ?        ?         ?        
1 1 1 23 22 2  f 140.4265 10.50366 197.9895   29.49986 197.9895   29.49986 ?          ?        140.4265 10.50366 ?        ?        ?         ?        
1 1 1 23 22 3  o 282.3738 8.337584 799.3326   47.08631 799.3326   47.08631 ?          ?        282.3738 8.337584 ?        ?        ?         ?        
1 1 1 23 22 4  o 241.5547 7.867664 584.8914   38.00943 584.8914   38.00943 ?          ?        241.5547 7.867664 ?        ?        ?         ?        
1 1 1 23 22 5  o 162.8858 10.27437 266.6333   33.47099 266.6333   33.47099 ?          ?        162.8858 10.27437 ?        ?        ?         ?        
1 1 1 23 22 6  o 135.2238 10.27849 183.8068   27.79794 183.8068   27.79794 ?          ?        135.2238 10.27849 ?        ?        ?         ?        
1 1 1 23 22 7  o 53.99145 20.65258 20.99029   31.20177 20.99029   31.20177 ?          ?        53.99145 20.65258 ?        ?        ?         ?        
1 1 1 23 22 8  o 47.87619 19.86130 6.807660   31.20177 6.807660   31.20177 ?          ?        47.87619 19.86130 ?        ?        ?         ?        
1 1 1 23 22 9  o 179.9482 10.87647 327.3350   39.14404 327.3350   39.14404 ?          ?        179.9482 10.87647 ?        ?        ?         ?        
1 1 1 23 22 10 o 35.00803 16.52151 -33.47099  30.63447 -33.47099  30.63447 ?          ?        35.00803 16.52151 ?        ?        ?         ?        
1 1 1 23 22 11 o 123.4780 12.86427 156.5762   31.76908 156.5762   31.76908 ?          ?        123.4780 12.86427 ?        ?        ?         ?        
1 1 1 23 22 12 o 138.8226 10.82935 197.4221   30.06716 197.4221   30.06716 ?          ?        138.8226 10.82935 ?        ?        ?         ?        
1 1 1 23 22 13 o 120.7558 13.15427 152.0377   31.76908 152.0377   31.76908 ?          ?        120.7558 13.15427 ?        ?        ?         ?        
1 1 1 23 22 14 o 43.36337 18.40525 6.240355   27.79794 6.240355   27.79794 ?          ?        43.36337 18.40525 ?        ?        ?         ?        
1 1 1 23 23 0  o 298.3697 12.02080 896.9091   71.48043 896.9091   71.48043 896.9091   71.48043 298.3697 12.02080 298.3697 12.02080 -0.000000 0.000000 
1 1 1 23 23 1  o 276.3016 8.212835 765.2943   45.38440 765.2943   45.38440 ?          ?        276.3016 8.212835 ?        ?        ?         ?        
1 1 1 23 23 2  o 40.94827 17.81313 -4.538440  27.23064 -4.538440  27.23064 ?          ?        40.94827 17.81313 ?        ?        ?         ?        
1 1 1 23 23 3  o 149.2583 9.502070 223.5181   28.36525 223.5181   28.36525 ?          ?        149.2583 9.502070 ?        ?        ?         ?        
1 1 1 23 23 4  o 179.0795 8.394922 321.6619   30.06716 321.6619   30.06716 ?          ?        179.0795 8.394922 ?        ?        ?         ?        
1 1 1 23 23 5  o 69.39555 19.04936 50.49014   27.23064 50.49014   27.23064 ?          ?        69.39555 19.04936 ?        ?        ?         ?        
1 1 1 23 23 6  o 141.7596 9.604517 201.9606   27.23064 201.9606   27.23064 ?          ?        141.7596 9.604517 ?        ?        ?         ?        
1 1 1 23 23 7  o 108.4080 14.12925 119.1340   30.63447 119.1340   30.63447 ?          ?        108.4080 14.12925 ?        ?        ?         ?        
1 1 1 23 23 8  o 56.28559 21.16569 24.96142   32.33638 24.96142   32.33638 ?          ?        56.28559 21.16569 ?        ?        ?         ?        
1 1 1 23 23 9  o 53.25378 20.72988 19.85567   31.76908 19.85567   31.76908 ?          ?        53.25378 20.72988 ?        ?        ?         ?        
1 1 1 23 23 10 o 39.03976 17.77321 -17.01915  30.63447 -17.01915  30.63447 ?          ?        39.03976 17.77321 ?        ?        ?         ?        
1 1 1 23 23 11 o 170.3550 9.990400 294.9986   34.03830 294.9986   34.03830 ?          ?        170.3550 9.990400 ?        ?        ?         ?        
1 1 1 23 23 12 o 26.15236 13.02710 -66.94199  27.23064 -66.94199  27.23064 ?          ?        26.15236 13.02710 ?        ?        ?         ?        
1 1 1 23 23 13 o 31.63931 15.29537 -42.54787  29.49986 -42.54787  29.49986 ?          ?        31.63931 15.29537 ?        ?        ?         ?        
1 1 1 23 23 14 o 109.4505 12.69886 125.9417   27.79794 125.9417   27.79794 ?          ?        109.4505 12.69886 ?        ?        ?         ?        
1 1 1 23 24 0  o 359.4335 13.37729 1301.398   95.87454 1301.398   95.87454 1301.398   95.87454 359.4335 13.37729 359.4335 13.37729 -0.000000 0.000000 
1 1 1 23 24 1  o 233.9428 8.123658 548.5839   38.00943 548.5839   38.00943 ?          ?        233.9428 8.123658 ?        ?        ?         ?        
1 1 1 23 24 2  o 57.51387 19.46701 31.20177   26.66333 31.20177   26.66333 ?          ?        57.51387 19.46701 ?        ?        ?         ?        
1 1 1 23 24 3  o 153.8875 9.769204 237.7008   30.06716 237.7008   30.06716 ?          ?        153.8875 9.769204 ?        ?        ?         ?        
1 1 1 23 24 4  o 172.2614 8.891858 297.8351   30.63447 297.8351   30.63447 ?          ?        172.2614 8.891858 ?        ?        ?         ?        
1 1 1 23 24 5  o 593.1642 14.39389 3550.762   170.7588 3550.762   170.7588 ?          ?        593.1642 14.39389 ?        ?        ?         ?        
1 1 1 23 24 6  o 66.86971 17.88590 47.08631   24.39412 47.08631   24.39412 ?          ?        66.86971 17.88590 ?        ?        ?         ?        
1 1 1 23 24 7  o 200.1149 7.937707 402.2192   31.76908 402.2192   31.76908 ?          ?        200.1149 7.937707 ?        ?        ?         ?        
1 1 1 23 24 8  o 74.25444 18.71244 58.99971   27.79794 58.99971   27.79794 ?          ?        74.25444 18.71244 ?        ?        ?         ?        
1 1 1 23 24 9  o 180.2225 8.813847 327.9023   31.76908 327.9023   31.76908 ?          ?        180.2225 8.813847 ?        ?        ?         ?        
1 1 1 23 24 10 o 64.88753 20.17648 44.81709   28.93255 44.81709   28.93255 ?          ?        64.88753 20.17648 ?        ?        ?         ?        
1 1 1 23 24 11 o 34.25002 16.49911 -47.08631  33.47099 -47.08631  33.47099 ?          ?        34.25002 16.49911 ?        ?        ?         ?        
1 1 1 23 24 12 o 90.08091 16.68616 88.49958   28.93255 88.49958   28.93255 ?          ?        90.08091 16.68616 ?        ?        ?         ?        
1 1 1 23 24 13 o 81.49000 18.21439 74.88425   28.93255 74.88425   28.93255 ?          ?        81.49000 18.21439 ?        ?        ?         ?        
1 1 1 23 24 14 o 76.81411 16.71392 66.37468   24.96142 66.37468   24.96142 ?          ?        76.81411 16.71392 ?        ?        ?         ?        
1 1 1 23 25 0  o 74.20854 29.20208 76.58617   41.41326 76.58617   41.41326 76.58617   41.41326 74.20854 29.20208 74.20854 29.20208 -0.000000 0.000000 
1 1 1 23 25 1  o 369.2512 9.295015 1367.772   68.64390 1367.772   68.64390 ?          ?        369.2512 9.295015 ?        ?        ?         ?        
1 1 1 23 25 2  o 195.1209 8.576990 381.7962   33.47099 381.7962   33.47099 ?          ?        195.1209 8.576990 ?        ?        ?         ?        
1 1 1 23 25 3  o 187.1391 7.881797 351.1618   29.49986 351.1618   29.49986 ?          ?        187.1391 7.881797 ?        ?        ?         ?        
1 1 1 23 25 4  o 153.7749 10.69866 237.7008   32.90369 237.7008   32.90369 ?          ?        153.7749 10.69866 ?        ?        ?         ?        
1 1 1 23 25 5  o 168.9509 8.562414 286.4890   28.93255 286.4890   28.93255 ?          ?        168.9509 8.562414 ?        ?        ?         ?        
1 1 1 23 25 6  o 108.1654 12.06302 117.9994   26.09603 117.9994   26.09603 ?          ?        108.1654 12.06302 ?        ?        ?         ?        
1 1 1 23 25 7  o 259.1046 8.320035 674.5256   43.11518 674.5256   43.11518 ?          ?        259.1046 8.320035 ?        ?        ?         ?        
1 1 1 23 25 8  o 138.8202 10.42088 194.5856   28.93255 194.5856   28.93255 ?          ?        138.8202 10.42088 ?        ?        ?         ?        
1 1 1 23 25 9  o 311.2723 9.477187 979.7357   58.99971 979.7357   58.99971 ?          ?        311.2723 9.477187 ?        ?        ?         ?        
1 1 1 23 25 10 o 35.32215 17.08006 -55.59589  36.87482 -55.59589  36.87482 ?          ?        35.32215 17.08006 ?        ?        ?         ?        
1 1 1 23 25 11 o 150.2247 10.38503 229.7585   31.20177 229.7585   31.20177 ?          ?        150.2247 10.38503 ?        ?        ?         ?        
1 1 1 23 25 12 o 110.6554 12.04791 126.5090   26.66333 126.5090   26.66333 ?          ?        110.6554 12.04791 ?        ?        ?         ?        
1 1 1 23 25 13 o 95.26862 15.78020 97.00916   30.06716 97.00916   30.06716 ?          ?        95.26862 15.78020 ?        ?        ?         ?        
1 1 1 23 25 14 o 73.87790 16.87307 61.83624   24.39412 61.83624   24.39412 ?          ?        73.87790 16.87307 ?        ?        ?         ?        
1 1 1 23 26 0  o 57.12185 27.56861 48.78823   36.30752 48.78823   36.30752 48.78823   36.30752 57.12185 27.56861 57.12185 27.56861 -0.000000 0.000000 
1 1 1 23 26 1  o 106.6793 13.29463 114.5956   28.36525 114.5956   28.36525 ?          ?        106.6793 13.29463 ?        ?        ?         ?        
1 1 1 23 26 2  o 137.9581 10.28039 191.1818   28.36525 191.1818   28.36525 ?          ?        137.9581 10.28039 ?        ?        ?         ?        
1 1 1 23 26 3  o 59.95692 18.76032 36.30752   24.96142 36.30752   24.96142 ?          ?        59.95692 18.76032 ?        ?        ?         ?        
1 1 1 23 26 4  o 198.6176 9.282870 395.9789   36.87482 395.9789   36.87482 ?          ?        198.6176 9.282870 ?        ?        ?         ?        
1 1 1 23 26 5  o 167.2077 8.990962 280.8159   30.06716 280.8159   30.06716 ?          ?        167.2077 8.990962 ?        ?        ?         ?        
1 1 1 23 26 6  o 142.6904 9.343069 204.7971   26.66333 204.7971   26.66333 ?          ?        142.6904 9.343069 ?        ?        ?         ?        
1 1 1 23 26 7  o 37.55076 16.72937 -9.644185  25.52872 -9.644185  25.52872 ?          ?        37.55076 16.72937 ?        ?        ?         ?        
1 1 1 23 26 8  f 61.86020 17.82485 40.27865   23.25950 40.27865   23.25950 ?          ?        61.86020 17.82485 ?        ?        ?         ?        
1 1 1 23 26 9  o 174.4393 9.268661 307.4793   32.33638 307.4793   32.33638 ?          ?        174.4393 9.268661 ?        ?        ?         ?        
1 1 1 23 26 10 o 52.60427 17.95892 27.23064   22.69220 27.23064   22.69220 ?          ?        52.60427 17.95892 ?        ?        ?         ?        
1 1 1 23 26 11 o 117.1811 11.86111 140.6916   27.79794 140.6916   27.79794 ?          ?        117.1811 11.86111 ?        ?        ?         ?        
1 1 1 23 26 12 o 85.47608 18.13762 81.69191   30.06716 81.69191   30.06716 ?          ?        85.47608 18.13762 ?        ?        ?         ?        
1 1 1 23 26 13 o 115.1145 10.59559 136.7205   24.39412 136.7205   24.39412 ?          ?        115.1145 10.59559 ?        ?        ?         ?        
1 1 1 23 26 14 o 105.4500 13.18063 117.9994   27.79794 117.9994   27.79794 ?          ?        105.4500 13.18063 ?        ?        ?         ?        
1 1 1 23 27 0  o 180.0432 14.52103 331.8734   51.62476 331.8734   51.62476 331.8734   51.62476 180.0432 14.52103 180.0432 14.52103 -0.000000 0.000000 
1 1 1 23 27 1  o 140.2029 9.913473 197.4221   27.79794 197.4221   27.79794 ?          ?        140.2029 9.913473 ?        ?        ?         ?        
1 1 1 23 27 2  o 86.76928 14.38379 76.01886   24.96142 76.01886   24.96142 ?          ?        86.76928 14.38379 ?        ?        ?         ?        
1 1 1 23 27 3  o 117.2869 11.85041 138.4224   27.79794 138.4224   27.79794 ?          ?        117.2869 11.85041 ?        ?        ?         ?        
1 1 1 23 27 4  o 183.7438 8.027445 338.6811   29.49986 338.6811   29.49986 ?          ?        183.7438 8.027445 ?        ?        ?         ?        
1 1 1 23 27 5  o 308.4728 8.459750 955.3415   52.19205 955.3415   52.19205 ?          ?        308.4728 8.459750 ?        ?        ?         ?        
1 1 1 23 27 6  o 69.38259 17.22790 51.05745   23.82681 51.05745   23.82681 ?          ?        69.38259 17.22790 ?        ?        ?         ?        
1 1 1 23 27 7  o 98.44073 12.67840 98.14376   24.96142 98.14376   24.96142 ?          ?        98.44073 12.67840 ?        ?        ?         ?        
1 1 1 23 27 8  f 138.8333 9.602645 194.5856   26.66333 194.5856   26.66333 ?          ?        138.8333 9.602645 ?        ?        ?         ?        
1 1 1 23 27 9  o 228.8488 7.684748 527.5936   35.17290 527.5936   35.17290 ?          ?        228.8488 7.684748 ?        ?        ?         ?        
1 1 1 23 27 10 o 54.25879 17.23794 30.63447   20.99029 30.63447   20.99029 ?          ?        54.25879 17.23794 ?        ?        ?         ?        
1 1 1 23 27 11 o 144.3002 9.238841 211.6048   26.66333 211.6048   26.66333 ?          ?        144.3002 9.238841 ?        ?        ?         ?        
1 1 1 23 27 12 o 59.14576 19.46700 38.00943   26.66333 38.00943   26.66333 ?          ?        59.14576 19.46700 ?        ?        ?         ?        
1 1 1 23 27 13 f 70.48454 16.39239 55.59589   22.69220 55.59589   22.69220 ?          ?        70.48454 16.39239 ?        ?        ?         ?        
1 1 1 23 27 14 o 71.11217 18.25680 58.43241   26.09603 58.43241   26.09603 ?          ?        71.11217 18.25680 ?        ?        ?         ?        
1 1 1 23 28 0  f 106.8819 17.73133 122.5379   35.17290 122.5379   35.17290 122.5379   35.17290 106.8819 17.73133 106.8819 17.73133 -0.000000 0.000000 
1 1 1 23 28 1  o 338.3239 8.803252 1148.792   59.56702 1148.792   59.56702 ?          ?        338.3239 8.803252 ?        ?        ?         ?        
1 1 1 23 28 2  o 111.0886 12.25627 124.2398   27.23064 124.2398   27.23064 ?          ?        111.0886 12.25627 ?        ?        ?         ?        
1 1 1 23 28 3  o 142.0184 9.587014 202.5279   27.23064 202.5279   27.23064 ?          ?        142.0184 9.587014 ?        ?        ?         ?        
1 1 1 23 28 4  o 159.9249 9.400400 256.9891   30.06716 256.9891   30.06716 ?          ?        159.9249 9.400400 ?        ?        ?         ?        
1 1 1 23 28 5  o 63.40030 19.30013 41.41326   26.66333 41.41326   26.66333 ?          ?        63.40030 19.30013 ?        ?        ?         ?        
1 1 1 23 28 6  o 78.19961 16.80575 64.67276   25.52872 64.67276   25.52872 ?          ?        78.19961 16.80575 ?        ?        ?         ?        
1 1 1 23 28 7  o 196.4286 7.942270 388.0366   31.20177 388.0366   31.20177 ?          ?        196.4286 7.942270 ?        ?        ?         ?        
1 1 1 23 28 8  o 171.5047 8.434916 296.7005   28.93255 296.7005   28.93255 ?          ?        171.5047 8.434916 ?        ?        ?         ?        
1 1 1 23 28 9  o 67.93559 17.75674 49.92284   24.39412 49.92284   24.39412 ?          ?        67.93559 17.75674 ?        ?        ?         ?        
1 1 1 23 28 10 o 84.71008 15.29313 76.58617   24.96142 76.58617   24.96142 ?          ?        84.71008 15.29313 ?        ?        ?         ?        
1 1 1 23 28 11 o 171.4197 7.942681 297.8351   27.23064 297.8351   27.23064 ?          ?        171.4197 7.942681 ?        ?        ?         ?        
1 1 1 23 28 12 o 85.49143 13.93520 76.58617   23.82681 76.58617   23.82681 ?          ?        85.49143 13.93520 ?        ?        ?         ?        
1 1 1 23 28 13 o 32.18893 15.21180 -26.09603  26.09603 -26.09603  26.09603 ?          ?        32.18893 15.21180 ?        ?        ?         ?        
1 1 1 23 29 0  o 24.10699 17.39209 -54.46128  37.44213 -54.46128  37.44213 -54.46128  37.44213 24.10699 17.39209 24.10699 17.39209 -0.000000 0.000000 
1 1 1 23 29 1  o 382.9255 10.81497 1473.858   82.82652 1473.858   82.82652 ?          ?        382.9255 10.81497 ?        ?        ?         ?        
1 1 1 23 29 2  o 239.8715 7.804621 576.9491   37.44213 576.9491   37.44213 ?          ?        239.8715 7.804621 ?        ?        ?         ?        
1 1 1 23 29 3  o 88.61900 14.72372 79.42269   26.09603 79.42269   26.09603 ?          ?        88.61900 14.72372 ?        ?        ?         ?        
1 1 1 23 29 4  o 179.3283 8.225100 322.7965   29.49986 322.7965   29.49986 ?          ?        179.3283 8.225100 ?        ?        ?         ?        
1 1 1 23 29 5  o 265.8097 8.003447 709.6985   42.54787 709.6985   42.54787 ?          ?        265.8097 8.003447 ?        ?        ?         ?        
1 1 1 23 29 6  o 102.7421 12.14761 106.6533   24.96142 106.6533   24.96142 ?          ?        102.7421 12.14761 ?        ?        ?         ?        
1 1 1 23 29 7  f 394.2095 9.713892 1566.896   76.58617 1566.896   76.58617 ?          ?        394.2095 9.713892 ?        ?        ?         ?        
1 1 1 23 29 8  o 236.5756 7.793456 563.9012   36.87482 563.9012   36.87482 ?          ?        236.5756 7.793456 ?        ?        ?         ?        
1 1 1 23 29 9  o 198.3806 7.864120 397.1135   31.20177 397.1135   31.20177 ?          ?        198.3806 7.864120 ?        ?        ?         ?        
1 1 1 23 29 10 o 125.6844 9.930194 160.5473   24.96142 160.5473   24.96142 ?          ?        125.6844 9.930194 ?        ?        ?         ?        
1 1 1 23 29 11 o 124.7478 9.549988 158.8454   23.82681 158.8454   23.82681 ?          ?        124.7478 9.549988 ?        ?        ?         ?        
1 1 1 23 29 12 o 87.69511 15.77692 83.96114   26.66333 83.96114   26.66333 ?          ?        87.69511 15.77692 ?        ?        ?         ?        
1 1 1 23 29 13 o 177.5696 8.626044 322.7965   30.63447 322.7965   30.63447 ?          ?        177.5696 8.626044 ?        ?        ?         ?        
1 1 1 23 30 0  o 187.9788 12.33102 359.1040   45.95170 359.1040   45.95170 359.1040   45.95170 187.9788 12.33102 187.9788 12.33102 -0.000000 0.000000 
1 1 1 23 30 1  o 428.4499 10.32788 1844.876   88.49958 1844.876   88.49958 ?          ?        428.4499 10.32788 ?        ?        ?         ?        
1 1 1 23 30 2  o 323.5431 8.416388 1050.649   54.46128 1050.649   54.46128 ?          ?        323.5431 8.416388 ?        ?        ?         ?        
1 1 1 23 30 3  o 309.5823 8.429432 962.1492   52.19205 962.1492   52.19205 ?          ?        309.5823 8.429432 ?        ?        ?         ?        
1 1 1 23 30 4  o 391.1499 10.00743 1539.666   78.28809 1539.666   78.28809 ?          ?        391.1499 10.00743 ?        ?        ?         ?        
1 1 1 23 30 5  o 195.8060 8.257248 385.2001   32.33638 385.2001   32.33638 ?          ?        195.8060 8.257248 ?        ?        ?         ?        
1 1 1 23 30 6  o 113.8103 11.96317 131.0475   27.23064 131.0475   27.23064 ?          ?        113.8103 11.96317 ?        ?        ?         ?        
1 1 1 23 30 7  o 130.0639 9.813911 170.7588   25.52872 170.7588   25.52872 ?          ?        130.0639 9.813911 ?        ?        ?         ?        
1 1 1 23 30 8  o 100.1078 12.46727 102.1149   24.96142 102.1149   24.96142 ?          ?        100.1078 12.46727 ?        ?        ?         ?        
1 1 1 23 30 9  o 47.59500 19.11872 13.04801   27.79794 13.04801   27.79794 ?          ?        47.59500 19.11872 ?        ?        ?         ?        
1 1 1 23 30 10 o 45.81845 17.75771 15.31723   23.25950 15.31723   23.25950 ?          ?        45.81845 17.75771 ?        ?        ?         ?        
1 1 1 23 30 11 o 78.50684 16.42832 67.50929   24.96142 67.50929   24.96142 ?          ?        78.50684 16.42832 ?        ?        ?         ?        
1 1 1 23 30 12 f 45.40834 18.02991 14.74993   24.39412 14.74993   24.39412 ?          ?        45.40834 18.02991 ?        ?        ?         ?        
1 1 1 23 30 13 o 58.00587 18.83543 37.44213   24.96142 37.44213   24.96142 ?          ?        58.00587 18.83543 ?        ?        ?         ?        
1 1 1 23 31 0  o 132.5314 16.01275 184.3741   41.41326 184.3741   41.41326 184.3741   41.41326 132.5314 16.01275 132.5314 16.01275 -0.000000 0.000000 
1 1 1 23 31 1  o 163.9702 8.995494 270.0372   29.49986 270.0372   29.49986 ?          ?        163.9702 8.995494 ?        ?        ?         ?        
1 1 1 23 31 2  o 201.5954 8.160823 407.8922   32.90369 407.8922   32.90369 ?          ?        201.5954 8.160823 ?        ?        ?         ?        
1 1 1 23 31 3  o 273.2519 7.889273 749.4099   43.11518 749.4099   43.11518 ?          ?        273.2519 7.889273 ?        ?        ?         ?        
1 1 1 23 31 4  o 139.0481 9.587810 194.5856   26.66333 194.5856   26.66333 ?          ?        139.0481 9.587810 ?        ?        ?         ?        
1 1 1 23 31 5  o 226.4441 8.142148 515.1129   36.87482 515.1129   36.87482 ?          ?        226.4441 8.142148 ?        ?        ?         ?        
1 1 1 23 31 6  o 49.62149 17.86307 21.55759   22.69220 21.55759   22.69220 ?          ?        49.62149 17.86307 ?        ?        ?         ?        
1 1 1 23 31 7  o 188.8072 7.812162 359.1040   29.49986 359.1040   29.49986 ?          ?        188.8072 7.812162 ?        ?        ?         ?        
1 1 1 23 31 8  o 99.43145 12.83735 100.9803   25.52872 100.9803   25.52872 ?          ?        99.43145 12.83735 ?        ?        ?         ?        
1 1 1 23 31 9  o 86.62611 18.25366 81.69191   30.63447 81.69191   30.63447 ?          ?        86.62611 18.25366 ?        ?        ?         ?        
1 1 1 23 31 10 o 96.76043 12.89857 96.44185   24.96142 96.44185   24.96142 ?          ?        96.76043 12.89857 ?        ?        ?         ?        
1 1 1 23 31 11 o 190.9615 7.872572 370.4502   30.06716 370.4502   30.06716 ?          ?        190.9615 7.872572 ?        ?        ?         ?        
1 1 1 23 31 12 o 65.86056 17.70423 48.78823   23.82681 48.78823   23.82681 ?          ?        65.86056 17.70423 ?        ?        ?         ?        
1 1 1 23 31 13 o 56.47449 17.66058 35.74022   22.12490 35.74022   22.12490 ?          ?        56.47449 17.66058 ?        ?        ?         ?        
1 1 1 23 32 0  o 33.46234 22.18691 -5.673049  37.44213 -5.673049  37.44213 -5.673049  37.44213 33.46234 22.18691 33.46234 22.18691 -0.000000 0.000000 
1 1 1 23 32 1  o 361.0313 9.035237 1309.340   65.24007 1309.340   65.24007 ?          ?        361.0313 9.035237 ?        ?        ?         ?        
1 1 1 23 32 2  o 255.5067 7.882114 655.2372   40.27865 655.2372   40.27865 ?          ?        255.5067 7.882114 ?        ?        ?         ?        
1 1 1 23 32 3  o 160.8488 9.699098 260.3930   31.20177 260.3930   31.20177 ?          ?        160.8488 9.699098 ?        ?        ?         ?        
1 1 1 23 32 4  f 131.8992 10.53757 175.2972   27.79794 175.2972   27.79794 ?          ?        131.8992 10.53757 ?        ?        ?         ?        
1 1 1 23 32 5  f 268.1925 7.826573 722.7465   41.98057 722.7465   41.98057 ?          ?        268.1925 7.826573 ?        ?        ?         ?        
1 1 1 23 32 6  o 30.39705 14.54623 -33.47099  24.96142 -33.47099  24.96142 ?          ?        30.39705 14.54623 ?        ?        ?         ?        
1 1 1 23 32 7  o 371.6853 9.920979 1398.407   73.74965 1398.407   73.74965 ?          ?        371.6853 9.920979 ?        ?        ?         ?        
1 1 1 23 32 8  o 160.1821 8.499903 259.2584   27.23064 259.2584   27.23064 ?          ?        160.1821 8.499903 ?        ?        ?         ?        
1 1 1 23 32 9  o 72.21652 21.55245 57.29780   33.47099 57.29780   33.47099 ?          ?        72.21652 21.55245 ?        ?        ?         ?        
1 1 1 23 32 10 o 80.78390 15.30297 70.34581   23.82681 70.34581   23.82681 ?          ?        80.78390 15.30297 ?        ?        ?         ?        
1 1 1 23 32 11 o 188.9037 7.808174 362.5079   29.49986 362.5079   29.49986 ?          ?        188.9037 7.808174 ?        ?        ?         ?        
1 1 1 23 32 12 o 113.8428 11.21227 134.4513   25.52872 134.4513   25.52872 ?          ?        113.8428 11.21227 ?        ?        ?         ?        
1 1 1 23 32 13 o 134.2646 9.084346 185.5087   24.39412 185.5087   24.39412 ?          ?        134.2646 9.084346 ?        ?        ?         ?        
1 1 1 23 33 0  o 28.74872 19.87367 -22.69220  36.30752 -22.69220  36.30752 -22.69220  36.30752 28.74872 19.87367 28.74872 19.87367 -0.000000 0.000000 
1 1 1 23 33 1  o 180.6202 8.951485 327.9023   32.33638 327.9023   32.33638 ?          ?        180.6202 8.951485 ?        ?        ?         ?        
1 1 1 23 33 2  o 176.3766 8.362748 312.5851   29.49986 312.5851   29.49986 ?          ?        176.3766 8.362748 ?        ?        ?         ?        
1 1 1 23 33 3  o 230.6462 8.116790 534.4012   37.44213 534.4012   37.44213 ?          ?        230.6462 8.116790 ?        ?        ?         ?        
1 1 1 23 33 4  o 107.0682 11.65678 115.7302   24.96142 115.7302   24.96142 ?          ?        107.0682 11.65678 ?        ?        ?         ?        
1 1 1 23 33 5  f 71.02117 17.95331 53.89397   25.52872 53.89397   25.52872 ?          ?        71.02117 17.95331 ?        ?        ?         ?        
1 1 1 23 33 6  o 130.5856 10.20914 172.4607   26.66333 172.4607   26.66333 ?          ?        130.5856 10.20914 ?        ?        ?         ?        
1 1 1 23 33 7  o 83.75266 15.48457 74.31695   24.96142 74.31695   24.96142 ?          ?        83.75266 15.48457 ?        ?        ?         ?        
1 1 1 23 33 8  o 156.1081 8.358317 246.2104   26.09603 246.2104   26.09603 ?          ?        156.1081 8.358317 ?        ?        ?         ?        
1 1 1 23 33 9  o 272.5773 8.116926 751.1118   44.24979 751.1118   44.24979 ?          ?        272.5773 8.116926 ?        ?        ?         ?        
1 1 1 23 33 10 f 114.4853 10.65382 134.4513   24.39412 134.4513   24.39412 ?          ?        114.4853 10.65382 ?        ?        ?         ?        
1 1 1 23 33 11 o 134.6304 9.059664 184.9414   24.39412 184.9414   24.39412 ?          ?        134.6304 9.059664 ?        ?        ?         ?        
1 1 1 23 33 12 o 83.24698 13.28871 73.18234   22.12490 73.18234   22.12490 ?          ?        83.24698 13.28871 ?        ?        ?         ?        
1 1 1 23 33 13 o 39.98455 17.00775 4.538440   23.82681 4.538440   23.82681 ?          ?        39.98455 17.00775 ?        ?        ?         ?        
1 1 1 23 34 0  f 171.7764 11.83796 300.6716   40.27865 300.6716   40.27865 300.6716   40.27865 171.7764 11.83796 171.7764 11.83796 -0.000000 0.000000 
1 1 1 23 34 1  o 93.76951 13.61249 89.06688   25.52872 89.06688   25.52872 ?          ?        93.76951 13.61249 ?        ?        ?         ?        
1 1 1 23 34 2  o 104.8135 13.26067 111.1918   27.79794 111.1918   27.79794 ?          ?        104.8135 13.26067 ?        ?        ?         ?        
1 1 1 23 34 3  o 227.6162 7.726362 520.2186   35.17290 520.2186   35.17290 ?          ?        227.6162 7.726362 ?        ?        ?         ?        
1 1 1 23 34 4  o 215.5501 7.632493 466.8920   32.90369 466.8920   32.90369 ?          ?        215.5501 7.632493 ?        ?        ?         ?        
1 1 1 23 34 5  o 83.32216 15.88959 73.18234   25.52872 73.18234   25.52872 ?          ?        83.32216 15.88959 ?        ?        ?         ?        
1 1 1 23 34 6  o 104.4341 12.49402 111.1918   26.09603 111.1918   26.09603 ?          ?        104.4341 12.49402 ?        ?        ?         ?        
1 1 1 23 34 7  o 104.8682 11.08987 111.7591   23.25950 111.7591   23.25950 ?          ?        104.8682 11.08987 ?        ?        ?         ?        
1 1 1 23 34 8  o 67.01092 17.56481 48.78823   23.82681 48.78823   23.82681 ?          ?        67.01092 17.56481 ?        ?        ?         ?        
1 1 1 23 34 9  o 98.75288 14.36173 100.9803   28.36525 100.9803   28.36525 ?          ?        98.75288 14.36173 ?        ?        ?         ?        
1 1 1 23 34 10 o 42.08787 17.26798 8.509575   23.25950 8.509575   23.25950 ?          ?        42.08787 17.26798 ?        ?        ?         ?        
1 1 1 23 34 11 o 84.92577 14.02802 76.01886   23.82681 76.01886   23.82681 ?          ?        84.92577 14.02802 ?        ?        ?         ?        
1 1 1 23 34 12 o 40.28602 17.17469 3.971134   24.39412 3.971134   24.39412 ?          ?        40.28602 17.17469 ?        ?        ?         ?        
1 1 1 23 35 0  o 175.0827 12.27243 312.5851   42.54787 312.5851   42.54787 312.5851   42.54787 175.0827 12.27243 175.0827 12.27243 -0.000000 0.000000 
1 1 1 23 35 1  o 144.1899 10.03279 209.3355   28.93255 209.3355   28.93255 ?          ?        144.1899 10.03279 ?        ?        ?         ?        
1 1 1 23 35 2  o 62.14473 19.12942 39.71135   26.09603 39.71135   26.09603 ?          ?        62.14473 19.12942 ?        ?        ?         ?        
1 1 1 23 35 3  o 116.5391 11.68305 137.2878   27.23064 137.2878   27.23064 ?          ?        116.5391 11.68305 ?        ?        ?         ?        
1 1 1 23 35 4  o 114.6827 12.36684 133.3167   28.36525 133.3167   28.36525 ?          ?        114.6827 12.36684 ?        ?        ?         ?        
1 1 1 23 35 5  o 177.9738 8.765833 319.3927   31.20177 319.3927   31.20177 ?          ?        177.9738 8.765833 ?        ?        ?         ?        
1 1 1 23 35 6  o 113.9649 10.45357 131.6148   23.82681 131.6148   23.82681 ?          ?        113.9649 10.45357 ?        ?        ?         ?        
1 1 1 23 35 7  o 82.06135 17.14889 72.61504   27.23064 72.61504   27.23064 ?          ?        82.06135 17.14889 ?        ?        ?         ?        
1 1 1 23 35 8  o 219.2415 7.892118 485.6130   34.60560 485.6130   34.60560 ?          ?        219.2415 7.892118 ?        ?        ?         ?        
1 1 1 23 35 9  o 27.87683 13.64321 -47.08631  25.52872 -47.08631  25.52872 ?          ?        27.87683 13.64321 ?        ?        ?         ?        
1 1 1 23 35 10 o 113.5383 10.74268 132.7494   24.39412 132.7494   24.39412 ?          ?        113.5383 10.74268 ?        ?        ?         ?        
1 1 1 23 35 11 o 38.33276 16.76663 -1.701915  24.39412 -1.701915  24.39412 ?          ?        38.33276 16.76663 ?        ?        ?         ?        
1 1 1 23 35 12 f 121.4743 10.27437 152.6050   24.96142 152.6050   24.96142 ?          ?        121.4743 10.27437 ?        ?        ?         ?        
1 1 1 23 36 0  o 59.33856 28.62670 53.32666   39.14404 53.32666   39.14404 53.32666   39.14404 59.33856 28.62670 59.33856 28.62670 -0.000000 0.000000 
1 1 1 23 36 1  o 145.9737 9.327240 214.4413   27.23064 214.4413   27.23064 ?          ?        145.9737 9.327240 ?        ?        ?         ?        
1 1 1 23 36 2  o 36.82985 16.30770 -7.374964  23.82681 -7.374964  23.82681 ?          ?        36.82985 16.30770 ?        ?        ?         ?        
1 1 1 23 36 3  o 104.3804 13.04394 110.6245   27.23064 110.6245   27.23064 ?          ?        104.3804 13.04394 ?        ?        ?         ?        
1 1 1 23 36 4  o 88.54195 14.73653 79.99000   26.09603 79.99000   26.09603 ?          ?        88.54195 14.73653 ?        ?        ?         ?        
1 1 1 23 36 5  o 174.3358 7.972530 306.3447   27.79794 306.3447   27.79794 ?          ?        174.3358 7.972530 ?        ?        ?         ?        
1 1 1 23 36 6  o 119.9613 10.16749 145.7974   24.39412 145.7974   24.39412 ?          ?        119.9613 10.16749 ?        ?        ?         ?        
1 1 1 23 36 7  o 40.80423 17.78218 -2.836525  27.23064 -2.836525  27.23064 ?          ?        40.80423 17.78218 ?        ?        ?         ?        
1 1 1 23 36 8  o 116.4463 11.20518 138.4224   26.09603 138.4224   26.09603 ?          ?        116.4463 11.20518 ?        ?        ?         ?        
1 1 1 23 36 9  o 119.3217 9.508834 145.2301   22.69220 145.2301   22.69220 ?          ?        119.3217 9.508834 ?        ?        ?         ?        
1 1 1 23 36 10 o 40.66999 17.25079 3.971134   24.39412 3.971134   24.39412 ?          ?        40.66999 17.25079 ?        ?        ?         ?        
1 1 1 23 36 11 o 106.7784 11.68843 118.5667   24.96142 118.5667   24.96142 ?          ?        106.7784 11.68843 ?        ?        ?         ?        
1 1 1 23 36 12 o 41.52876 17.41436 7.374964   24.39412 7.374964   24.39412 ?          ?        41.52876 17.41436 ?        ?        ?         ?        
1 1 1 23 37 0  o 257.7264 11.27252 671.6891   57.86510 671.6891   57.86510 671.6891   57.86510 257.7264 11.27252 257.7264 11.27252 -0.000000 0.000000 
1 1 1 23 37 1  o 142.3038 9.767113 204.2298   27.79794 204.2298   27.79794 ?          ?        142.3038 9.767113 ?        ?        ?         ?        
1 1 1 23 37 2  o 181.7735 8.270503 332.4407   30.06716 332.4407   30.06716 ?          ?        181.7735 8.270503 ?        ?        ?         ?        
1 1 1 23 37 3  o 54.53649 19.01358 27.79794   25.52872 27.79794   25.52872 ?          ?        54.53649 19.01358 ?        ?        ?         ?        
1 1 1 23 37 4  o 94.97177 12.54415 91.90340   23.82681 91.90340   23.82681 ?          ?        94.97177 12.54415 ?        ?        ?         ?        
1 1 1 23 37 5  o 43.13007 17.54982 8.509575   23.82681 8.509575   23.82681 ?          ?        43.13007 17.54982 ?        ?        ?         ?        
1 1 1 23 37 6  o 48.47624 18.34300 18.72106   24.39412 18.72106   24.39412 ?          ?        48.47624 18.34300 ?        ?        ?         ?        
1 1 1 23 37 7  o 41.85243 17.35882 6.240355   23.82681 6.240355   23.82681 ?          ?        41.85243 17.35882 ?        ?        ?         ?        
1 1 1 23 37 8  o 135.6759 8.989847 186.6433   24.39412 186.6433   24.39412 ?          ?        135.6759 8.989847 ?        ?        ?         ?        
1 1 1 23 37 9  o 30.55139 14.41173 -24.39412  23.25950 -24.39412  23.25950 ?          ?        30.55139 14.41173 ?        ?        ?         ?        
1 1 1 23 37 10 o 69.20937 18.49370 53.89397   26.09603 53.89397   26.09603 ?          ?        69.20937 18.49370 ?        ?        ?         ?        
1 1 1 23 37 11 o 51.14435 18.50997 26.09603   24.39412 26.09603   24.39412 ?          ?        51.14435 18.50997 ?        ?        ?         ?        
1 1 1 23 37 12 o 48.58634 18.50501 21.55759   24.96142 21.55759   24.96142 ?          ?        48.58634 18.50501 ?        ?        ?         ?        
1 1 1 23 38 0  o 39.09056 23.68410 16.45185   33.47099 16.45185   33.47099 16.45185   33.47099 39.09056 23.68410 39.09056 23.68410 -0.000000 0.000000 
1 1 1 23 38 1  o 60.15627 19.67301 36.30752   27.23064 36.30752   27.23064 ?          ?        60.15627 19.67301 ?        ?        ?         ?        
1 1 1 23 38 2  o 197.4171 7.902500 392.0077   31.20177 392.0077   31.20177 ?          ?        197.4171 7.902500 ?        ?        ?         ?        
1 1 1 23 38 3  o 149.8884 9.272878 226.9220   27.79794 226.9220   27.79794 ?          ?        149.8884 9.272878 ?        ?        ?         ?        
1 1 1 23 38 4  o 55.22387 19.03650 29.49986   25.52872 29.49986   25.52872 ?          ?        55.22387 19.03650 ?        ?        ?         ?        
1 1 1 23 38 5  o 83.63654 16.87062 74.88425   27.23064 74.88425   27.23064 ?          ?        83.63654 16.87062 ?        ?        ?         ?        
1 1 1 23 38 6  o 107.8301 12.88970 119.1340   27.79794 119.1340   27.79794 ?          ?        107.8301 12.88970 ?        ?        ?         ?        
1 1 1 23 38 7  o 127.3359 10.46968 165.0858   26.66333 165.0858   26.66333 ?          ?        127.3359 10.46968 ?        ?        ?         ?        
1 1 1 23 38 8  o 68.64301 17.00772 51.62476   23.25950 51.62476   23.25950 ?          ?        68.64301 17.00772 ?        ?        ?         ?        
1 1 1 23 38 9  o 37.82483 16.45888 -1.134610  23.25950 -1.134610  23.25950 ?          ?        37.82483 16.45888 ?        ?        ?         ?        
1 1 1 23 38 10 o 168.9790 8.728851 291.5948   29.49986 291.5948   29.49986 ?          ?        168.9790 8.728851 ?        ?        ?         ?        
1 1 1 23 38 11 o 42.22784 17.54246 8.509575   24.39412 8.509575   24.39412 ?          ?        42.22784 17.54246 ?        ?        ?         ?        
1 1 1 23 39 0  o 112.7440 17.21507 135.0186   36.87482 135.0186   36.87482 135.0186   36.87482 112.7440 17.21507 112.7440 17.21507 -0.000000 0.000000 
1 1 1 23 39 1  o 189.8538 8.217318 363.0752   31.20177 363.0752   31.20177 ?          ?        189.8538 8.217318 ?        ?        ?         ?        
1 1 1 23 39 2  o 195.5738 8.412092 385.7674   32.90369 385.7674   32.90369 ?          ?        195.5738 8.412092 ?        ?        ?         ?        
1 1 1 23 39 3  f 66.94369 18.17745 48.22092   24.96142 48.22092   24.96142 ?          ?        66.94369 18.17745 ?        ?        ?         ?        
1 1 1 23 39 4  o 58.59930 19.46698 34.60560   26.66333 34.60560   26.66333 ?          ?        58.59930 19.46698 ?        ?        ?         ?        
1 1 1 23 39 5  o 96.50889 12.63827 95.30723   24.39412 95.30723   24.39412 ?          ?        96.50889 12.63827 ?        ?        ?         ?        
1 1 1 23 39 6  o 97.78123 14.21435 98.71106   27.79794 98.71106   27.79794 ?          ?        97.78123 14.21435 ?        ?        ?         ?        
1 1 1 23 39 7  o 177.2100 8.323418 317.6908   29.49986 317.6908   29.49986 ?          ?        177.2100 8.323418 ?        ?        ?         ?        
1 1 1 23 39 8  o 46.08332 17.29109 18.15376   21.55759 18.15376   21.55759 ?          ?        46.08332 17.29109 ?        ?        ?         ?        
1 1 1 23 39 9  o 40.88523 17.29179 4.538440   24.39412 4.538440   24.39412 ?          ?        40.88523 17.29179 ?        ?        ?         ?        
1 1 1 23 39 10 o 141.9055 8.994974 205.9317   25.52872 205.9317   25.52872 ?          ?        141.9055 8.994974 ?        ?        ?         ?        
1 1 1 23 39 11 o 73.84797 17.20412 61.83624   24.96142 61.83624   24.96142 ?          ?        73.84797 17.20412 ?        ?        ?         ?        
1 1 1 23 40 0  o 236.1853 10.97969 565.6030   51.62476 565.6030   51.62476 565.6030   51.62476 236.1853 10.97969 236.1853 10.97969 -0.000000 0.000000 
1 1 1 23 40 1  o 55.89046 18.18200 31.76908   23.25950 31.76908   23.25950 ?          ?        55.89046 18.18200 ?        ?        ?         ?        
1 1 1 23 40 2  o 202.6810 8.117112 414.1326   32.90369 414.1326   32.90369 ?          ?        202.6810 8.117112 ?        ?        ?         ?        
1 1 1 23 40 3  o 128.0414 10.63353 166.2204   27.23064 166.2204   27.23064 ?          ?        128.0414 10.63353 ?        ?        ?         ?        
1 1 1 23 40 4  o 119.6599 11.37835 145.7974   27.23064 145.7974   27.23064 ?          ?        119.6599 11.37835 ?        ?        ?         ?        
1 1 1 23 40 5  o 75.25237 15.60145 60.70163   22.69220 60.70163   22.69220 ?          ?        75.25237 15.60145 ?        ?        ?         ?        
1 1 1 23 40 6  o 72.51498 17.40610 57.29780   24.96142 57.29780   24.96142 ?          ?        72.51498 17.40610 ?        ?        ?         ?        
1 1 1 23 40 7  o 150.2674 9.060725 229.1912   27.23064 229.1912   27.23064 ?          ?        150.2674 9.060725 ?        ?        ?         ?        
1 1 1 23 40 8  o 47.51585 18.39997 17.58645   24.96142 17.58645   24.96142 ?          ?        47.51585 18.39997 ?        ?        ?         ?        
1 1 1 23 40 9  o 110.6162 10.77004 125.9417   23.82681 125.9417   23.82681 ?          ?        110.6162 10.77004 ?        ?        ?         ?        
1 1 1 23 40 10 o 53.01853 18.37992 29.49986   23.82681 29.49986   23.82681 ?          ?        53.01853 18.37992 ?        ?        ?         ?        
1 1 1 23 40 11 o 75.03891 16.33135 63.53815   23.82681 63.53815   23.82681 ?          ?        75.03891 16.33135 ?        ?        ?         ?        
1 1 1 23 41 0  o 117.6447 19.83053 150.9031   43.11518 150.9031   43.11518 150.9031   43.11518 117.6447 19.83053 117.6447 19.83053 -0.000000 0.000000 
1 1 1 23 41 1  o 157.7849 8.808808 251.3161   27.79794 251.3161   27.79794 ?          ?        157.7849 8.808808 ?        ?        ?         ?        
1 1 1 23 41 2  o 105.3318 11.84894 112.8937   24.96142 112.8937   24.96142 ?          ?        105.3318 11.84894 ?        ?        ?         ?        
1 1 1 23 41 3  o 137.4064 9.495928 191.1818   26.09603 191.1818   26.09603 ?          ?        137.4064 9.495928 ?        ?        ?         ?        
1 1 1 23 41 4  o 140.5436 9.687613 200.2587   27.23064 200.2587   27.23064 ?          ?        140.5436 9.687613 ?        ?        ?         ?        
1 1 1 23 41 5  o 116.0776 10.75204 137.2878   24.96142 137.2878   24.96142 ?          ?        116.0776 10.75204 ?        ?        ?         ?        
1 1 1 23 41 6  o 89.49673 12.67767 82.25922   22.69220 82.25922   22.69220 ?          ?        89.49673 12.67767 ?        ?        ?         ?        
1 1 1 23 41 7  o 27.25559 13.15702 -31.76908  21.55759 -31.76908  21.55759 ?          ?        27.25559 13.15702 ?        ?        ?         ?        
1 1 1 23 41 8  o 39.06193 17.21053 -3.403830  26.09603 -3.403830  26.09603 ?          ?        39.06193 17.21053 ?        ?        ?         ?        
1 1 1 23 41 9  o 109.4096 11.66658 124.2398   25.52872 124.2398   25.52872 ?          ?        109.4096 11.66658 ?        ?        ?         ?        
1 1 1 23 41 10 o 223.5065 7.868433 509.4399   35.17290 509.4399   35.17290 ?          ?        223.5065 7.868433 ?        ?        ?         ?        
1 1 1 23 41 11 o 55.78575 19.04831 34.03830   25.52872 34.03830   25.52872 ?          ?        55.78575 19.04831 ?        ?        ?         ?        
1 1 1 23 42 0  o 112.2694 16.21380 132.7494   35.17290 132.7494   35.17290 132.7494   35.17290 112.2694 16.21380 112.2694 16.21380 -0.000000 0.000000 
1 1 1 23 42 1  o 91.97331 13.87833 86.79766   25.52872 86.79766   25.52872 ?          ?        91.97331 13.87833 ?        ?        ?         ?        
1 1 1 23 42 2  o 60.73015 18.45527 39.14404   24.39412 39.14404   24.39412 ?          ?        60.73015 18.45527 ?        ?        ?         ?        
1 1 1 23 42 3  o 86.57079 16.00175 79.99000   26.66333 79.99000   26.66333 ?          ?        86.57079 16.00175 ?        ?        ?         ?        
1 1 1 23 42 4  o 174.8068 8.600112 309.1812   30.06716 309.1812   30.06716 ?          ?        174.8068 8.600112 ?        ?        ?         ?        
1 1 1 23 42 5  o 86.71132 15.97367 80.55730   26.66333 80.55730   26.66333 ?          ?        86.71132 15.97367 ?        ?        ?         ?        
1 1 1 23 42 6  f 82.72217 16.00148 73.74965   25.52872 73.74965   25.52872 ?          ?        82.72217 16.00148 ?        ?        ?         ?        
1 1 1 23 42 7  o 52.53703 18.16491 27.79794   23.25950 27.79794   23.25950 ?          ?        52.53703 18.16491 ?        ?        ?         ?        
1 1 1 23 42 8  o 141.4213 9.226341 204.2298   26.09603 204.2298   26.09603 ?          ?        141.4213 9.226341 ?        ?        ?         ?        
1 1 1 23 42 9  o 109.5653 11.13223 124.2398   24.39412 124.2398   24.39412 ?          ?        109.5653 11.13223 ?        ?        ?         ?        
1 1 1 23 42 10 o 118.2663 10.31321 144.6628   24.39412 144.6628   24.39412 ?          ?        118.2663 10.31321 ?        ?        ?         ?        
1 1 1 23 43 0  o 45.82829 25.85609 30.63447   35.74022 30.63447   35.74022 30.63447   35.74022 45.82829 25.85609 45.82829 25.85609 -0.000000 0.000000 
1 1 1 23 43 1  o 49.05610 18.55723 19.28837   24.96142 19.28837   24.96142 ?          ?        49.05610 18.55723 ?        ?        ?         ?        
1 1 1 23 43 2  o 138.1324 9.651365 193.4510   26.66333 193.4510   26.66333 ?          ?        138.1324 9.651365 ?        ?        ?         ?        
1 1 1 23 43 3  o 86.92901 13.37845 77.72078   23.25950 77.72078   23.25950 ?          ?        86.92901 13.37845 ?        ?        ?         ?        
1 1 1 23 43 4  o 164.6957 8.611411 274.5756   28.36525 274.5756   28.36525 ?          ?        164.6957 8.611411 ?        ?        ?         ?        
1 1 1 23 43 5  o 116.7009 10.93768 138.9897   25.52872 138.9897   25.52872 ?          ?        116.7009 10.93768 ?        ?        ?         ?        
1 1 1 23 43 6  o 62.95741 18.00845 43.68248   23.82681 43.68248   23.82681 ?          ?        62.95741 18.00845 ?        ?        ?         ?        
1 1 1 23 43 7  o 58.82690 18.05008 38.00943   23.25950 38.00943   23.25950 ?          ?        58.82690 18.05008 ?        ?        ?         ?        
1 1 1 23 43 8  o 75.43354 16.25735 62.97085   23.82681 62.97085   23.82681 ?          ?        75.43354 16.25735 ?        ?        ?         ?        
1 1 1 23 43 9  o 71.50694 17.23433 57.86510   24.39412 57.86510   24.39412 ?          ?        71.50694 17.23433 ?        ?        ?         ?        
1 1 1 23 43 10 o 142.7258 10.13571 211.0374   28.93255 211.0374   28.93255 ?          ?        142.7258 10.13571 ?        ?        ?         ?        
1 1 1 23 44 0  o 36.98261 23.41457 9.076880   36.30752 9.076880   36.30752 9.076880   36.30752 36.98261 23.41457 36.98261 23.41457 -0.000000 0.000000 
1 1 1 23 44 1  o 101.2957 13.44116 105.5187   27.23064 105.5187   27.23064 ?          ?        101.2957 13.44116 ?        ?        ?         ?        
1 1 1 23 44 2  o 49.34219 19.48929 16.45185   28.36525 16.45185   28.36525 ?          ?        49.34219 19.48929 ?        ?        ?         ?        
1 1 1 23 44 3  o 87.91681 14.51868 79.99000   25.52872 79.99000   25.52872 ?          ?        87.91681 14.51868 ?        ?        ?         ?        
1 1 1 23 44 4  o 184.2908 9.081029 344.3541   33.47099 344.3541   33.47099 ?          ?        184.2908 9.081029 ?        ?        ?         ?        
1 1 1 23 44 5  o 66.19238 18.26851 48.22092   24.96142 48.22092   24.96142 ?          ?        66.19238 18.26851 ?        ?        ?         ?        
1 1 1 23 44 6  o 145.3421 9.562939 215.5759   27.79794 215.5759   27.79794 ?          ?        145.3421 9.562939 ?        ?        ?         ?        
1 1 1 23 44 7  o 79.86242 15.83555 69.77851   24.39412 69.77851   24.39412 ?          ?        79.86242 15.83555 ?        ?        ?         ?        
1 1 1 23 44 8  o 38.82843 17.28889 -6.240355  27.23064 -6.240355  27.23064 ?          ?        38.82843 17.28889 ?        ?        ?         ?        
1 1 1 23 44 9  o 110.3321 12.34030 127.6436   27.23064 127.6436   27.23064 ?          ?        110.3321 12.34030 ?        ?        ?         ?        
1 1 1 23 44 10 o 33.36797 15.88592 -30.06716  28.93255 -30.06716  28.93255 ?          ?        33.36797 15.88592 ?        ?        ?         ?        
1 1 1 23 45 0  o 18.30243 13.54845 -79.42269  31.76908 -79.42269  31.76908 -79.42269  31.76908 18.30243 13.54845 18.30243 13.54845 -0.000000 0.000000 
1 1 1 23 45 1  o 136.4857 10.18346 189.4799   27.79794 189.4799   27.79794 ?          ?        136.4857 10.18346 ?        ?        ?         ?        
1 1 1 23 45 2  o 67.97692 19.19072 50.49014   27.23064 50.49014   27.23064 ?          ?        67.97692 19.19072 ?        ?        ?         ?        
1 1 1 23 45 3  o 88.66362 13.75655 81.12460   24.39412 81.12460   24.39412 ?          ?        88.66362 13.75655 ?        ?        ?         ?        
1 1 1 23 45 4  o 155.8338 9.283143 246.7777   28.93255 246.7777   28.93255 ?          ?        155.8338 9.283143 ?        ?        ?         ?        
1 1 1 23 45 5  o 42.32740 17.56056 7.374964   24.39412 7.374964   24.39412 ?          ?        42.32740 17.56056 ?        ?        ?         ?        
1 1 1 23 45 6  o 179.7804 7.888861 328.4696   28.36525 328.4696   28.36525 ?          ?        179.7804 7.888861 ?        ?        ?         ?        
1 1 1 23 45 7  o 62.91213 19.08220 44.24979   26.09603 44.24979   26.09603 ?          ?        62.91213 19.08220 ?        ?        ?         ?        
1 1 1 23 45 8  o 91.22914 16.79746 92.47070   29.49986 92.47070   29.49986 ?          ?        91.22914 16.79746 ?        ?        ?         ?        
1 1 1 23 45 9  o 44.70580 17.65137 15.31723   23.25950 15.31723   23.25950 ?          ?        44.70580 17.65137 ?        ?        ?         ?        
1 1 1 23 46 0  o 170.7072 11.40272 298.4024   38.57674 298.4024   38.57674 298.4024   38.57674 170.7072 11.40272 170.7072 11.40272 -0.000000 0.000000 
1 1 1 23 46 1  o 86.68586 15.97876 80.55730   26.66333 80.55730   26.66333 ?          ?        86.68586 15.97876 ?        ?        ?         ?        
1 1 1 23 46 2  o 96.82388 12.89011 96.44185   24.96142 96.44185   24.96142 ?          ?        96.82388 12.89011 ?        ?        ?         ?        
1 1 1 23 46 3  o 65.91077 18.00218 47.65361   24.39412 47.65361   24.39412 ?          ?        65.91077 18.00218 ?        ?        ?         ?        
1 1 1 23 46 4  o 56.11689 18.83546 32.90369   24.96142 32.90369   24.96142 ?          ?        56.11689 18.83546 ?        ?        ?         ?        
1 1 1 23 46 5  o 82.69070 15.66213 74.31695   24.96142 74.31695   24.96142 ?          ?        82.69070 15.66213 ?        ?        ?         ?        
1 1 1 23 46 6  o 107.2862 11.89749 119.1340   25.52872 119.1340   25.52872 ?          ?        107.2862 11.89749 ?        ?        ?         ?        
1 1 1 23 46 7  o 42.62283 17.94871 6.240355   26.09603 6.240355   26.09603 ?          ?        42.62283 17.94871 ?        ?        ?         ?        
1 1 1 23 46 8  o 32.71403 15.38300 -23.82681  26.09603 -23.82681  26.09603 ?          ?        32.71403 15.38300 ?        ?        ?         ?        
1 1 1 23 46 9  o 90.66166 14.07912 87.93227   25.52872 87.93227   25.52872 ?          ?        90.66166 14.07912 ?        ?        ?         ?        
1 1 1 23 47 0  o 138.1252 13.37364 199.1240   36.30752 199.1240   36.30752 199.1240   36.30752 138.1252 13.37364 138.1252 13.37364 -0.000000 0.000000 
1 1 1 23 47 1  o 69.21065 18.49354 52.75936   26.09603 52.75936   26.09603 ?          ?        69.21065 18.49354 ?        ?        ?         ?        
1 1 1 23 47 2  o 57.29259 19.25879 34.03830   26.09603 34.03830   26.09603 ?          ?        57.29259 19.25879 ?        ?        ?         ?        
1 1 1 23 47 3  o 45.16422 18.37021 11.34610   26.09603 11.34610   26.09603 ?          ?        45.16422 18.37021 ?        ?        ?         ?        
1 1 1 23 47 4  o 69.10285 16.93804 52.75936   23.25950 52.75936   23.25950 ?          ?        69.10285 16.93804 ?        ?        ?         ?        
1 1 1 23 47 5  o 178.1688 8.437831 323.3638   30.06716 323.3638   30.06716 ?          ?        178.1688 8.437831 ?        ?        ?         ?        
1 1 1 23 47 6  o 111.3121 11.97683 128.7782   26.66333 128.7782   26.66333 ?          ?        111.3121 11.97683 ?        ?        ?         ?        
1 1 1 23 47 7  o 114.8130 11.11752 136.7205   25.52872 136.7205   25.52872 ?          ?        114.8130 11.11752 ?        ?        ?         ?        
1 1 1 23 47 8  o 59.73990 18.51664 40.27865   24.39412 40.27865   24.39412 ?          ?        59.73990 18.51664 ?        ?        ?         ?        
1 1 1 23 48 0  o 138.5524 15.26808 203.6625   41.41326 203.6625   41.41326 203.6625   41.41326 138.5524 15.26808 138.5524 15.26808 -0.000000 0.000000 
1 1 1 23 48 1  o 139.6185 9.751805 199.1240   27.23064 199.1240   27.23064 ?          ?        139.6185 9.751805 ?        ?        ?         ?        
1 1 1 23 48 2  o 122.1968 10.67787 153.1723   26.09603 153.1723   26.09603 ?          ?        122.1968 10.67787 ?        ?        ?         ?        
1 1 1 23 48 3  o 54.97165 18.18200 31.76908   23.25950 31.76908   23.25950 ?          ?        54.97165 18.18200 ?        ?        ?         ?        
1 1 1 23 48 4  o 102.9988 12.66812 110.6245   26.09603 110.6245   26.09603 ?          ?        102.9988 12.66812 ?        ?        ?         ?        
1 1 1 23 48 5  o 147.0701 9.450574 221.2489   27.79794 221.2489   27.79794 ?          ?        147.0701 9.450574 ?        ?        ?         ?        
1 1 1 23 48 6  o 64.61554 18.41619 47.08631   24.96142 47.08631   24.96142 ?          ?        64.61554 18.41619 ?        ?        ?         ?        
1 1 1 23 48 7  o 103.9304 12.55457 113.4610   26.09603 113.4610   26.09603 ?          ?        103.9304 12.55457 ?        ?        ?         ?        
1 1 1 23 48 8  o 73.39870 16.94770 61.26894   24.39412 61.26894   24.39412 ?          ?        73.39870 16.94770 ?        ?        ?         ?        
1 1 1 23 49 0  o 135.5753 14.74189 194.5856   39.14404 194.5856   39.14404 194.5856   39.14404 135.5753 14.74189 135.5753 14.74189 -0.000000 0.000000 
1 1 1 23 49 1  o 131.0757 10.82017 176.4319   28.36525 176.4319   28.36525 ?          ?        131.0757 10.82017 ?        ?        ?         ?        
1 1 1 23 49 2  o 125.6956 10.38064 162.2492   26.09603 162.2492   26.09603 ?          ?        125.6956 10.38064 ?        ?        ?         ?        
1 1 1 23 49 3  o 133.0575 11.51174 183.2395   30.63447 183.2395   30.63447 ?          ?        133.0575 11.51174 ?        ?        ?         ?        
1 1 1 23 49 4  o 192.5621 8.690959 377.8251   33.47099 377.8251   33.47099 ?          ?        192.5621 8.690959 ?        ?        ?         ?        
1 1 1 23 49 5  o 73.96327 18.13864 61.83624   26.66333 61.83624   26.66333 ?          ?        73.96327 18.13864 ?        ?        ?         ?        
1 1 1 23 49 6  o 169.7707 8.688147 294.9986   29.49986 294.9986   29.49986 ?          ?        169.7707 8.688147 ?        ?        ?         ?        
1 1 1 23 49 7  o 38.28830 16.65944 0.000000   23.82681 0.000000   23.82681 ?          ?        38.28830 16.65944 ?        ?        ?         ?        
1 1 1 23 50 0  o 33.57989 21.82313 3.403830   34.03830 3.403830   34.03830 3.403830   34.03830 33.57989 21.82313 33.57989 21.82313 -0.000000 0.000000 
1 1 1 23 50 1  o 71.87455 17.50312 57.86510   24.96142 57.86510   24.96142 ?          ?        71.87455 17.50312 ?        ?        ?         ?        
1 1 1 23 50 2  o 41.57331 17.53273 5.105744   24.96142 5.105744   24.96142 ?          ?        41.57331 17.53273 ?        ?        ?         ?        
1 1 1 23 50 3  o 42.14222 17.52688 7.374964   24.39412 7.374964   24.39412 ?          ?        42.14222 17.52688 ?        ?        ?         ?        
1 1 1 23 50 4  o 129.8077 9.833288 173.0280   25.52872 173.0280   25.52872 ?          ?        129.8077 9.833288 ?        ?        ?         ?        
1 1 1 23 50 5  o 116.2110 11.22786 140.1243   26.09603 140.1243   26.09603 ?          ?        116.2110 11.22786 ?        ?        ?         ?        
1 1 1 23 50 6  o 110.4448 12.07088 127.6436   26.66333 127.6436   26.66333 ?          ?        110.4448 12.07088 ?        ?        ?         ?        
1 1 1 23 50 7  o 56.32208 19.63704 34.60560   27.23064 34.60560   27.23064 ?          ?        56.32208 19.63704 ?        ?        ?         ?        
1 1 1 23 51 0  o 129.3013 15.97617 179.8357   40.27865 179.8357   40.27865 179.8357   40.27865 129.3013 15.97617 129.3013 15.97617 -0.000000 0.000000 
1 1 1 23 51 1  o 30.46932 14.53264 -28.36525  24.39412 -28.36525  24.39412 ?          ?        30.46932 14.53264 ?        ?        ?         ?        
1 1 1 23 51 2  o 78.31538 17.47201 68.64390   26.66333 68.64390   26.66333 ?          ?        78.31538 17.47201 ?        ?        ?         ?        
1 1 1 23 51 3  o 75.55558 17.58352 64.10546   26.09603 64.10546   26.09603 ?          ?        75.55558 17.58352 ?        ?        ?         ?        
1 1 1 23 51 4  o 58.68436 19.04753 38.00943   25.52872 38.00943   25.52872 ?          ?        58.68436 19.04753 ?        ?        ?         ?        
1 1 1 23 51 5  o 57.72553 19.04830 36.87482   25.52872 36.87482   25.52872 ?          ?        57.72553 19.04830 ?        ?        ?         ?        
1 1 1 23 51 6  o 44.43104 17.88416 13.61532   24.39412 13.61532   24.39412 ?          ?        44.43104 17.88416 ?        ?        ?         ?        
1 1 1 23 52 0  o 30.52810 20.82839 -13.61532  37.44213 -13.61532  37.44213 -13.61532  37.44213 30.52810 20.82839 30.52810 20.82839 -0.000000 0.000000 
1 1 1 23 52 1  o 101.3210 13.43780 107.7879   27.23064 107.7879   27.23064 ?          ?        101.3210 13.43780 ?        ?        ?         ?        
1 1 1 23 52 2  o 75.76129 17.86622 64.67276   26.66333 64.67276   26.66333 ?          ?        75.76129 17.86622 ?        ?        ?         ?        
1 1 1 23 52 3  o 123.8426 11.45214 159.4127   28.36525 159.4127   28.36525 ?          ?        123.8426 11.45214 ?        ?        ?         ?        
1 1 1 23 52 4  o 208.5374 8.433237 444.7671   35.17290 444.7671   35.17290 ?          ?        208.5374 8.433237 ?        ?        ?         ?        
1 1 1 23 52 5  o 64.66914 19.95138 48.22092   28.36525 48.22092   28.36525 ?          ?        64.66914 19.95138 ?        ?        ?         ?        
1 1 1 23 52 6  o 48.80130 18.67698 21.55759   25.52872 21.55759   25.52872 ?          ?        48.80130 18.67698 ?        ?        ?         ?        
1 1 1 23 53 0  o 239.7571 12.13342 591.6991   57.86510 591.6991   57.86510 591.6991   57.86510 239.7571 12.13342 239.7571 12.13342 -0.000000 0.000000 
1 1 1 23 53 1  f 99.04270 13.17413 103.2495   26.09603 103.2495   26.09603 ?          ?        99.04270 13.17413 ?        ?        ?         ?        
1 1 1 23 53 2  o 175.2545 8.254441 313.7196   28.93255 313.7196   28.93255 ?          ?        175.2545 8.254441 ?        ?        ?         ?        
1 1 1 23 53 3  f 105.6259 13.42722 117.9994   28.36525 117.9994   28.36525 ?          ?        105.6259 13.42722 ?        ?        ?         ?        
1 1 1 23 53 4  o 168.9235 8.227967 291.5948   27.79794 291.5948   27.79794 ?          ?        168.9235 8.227967 ?        ?        ?         ?        
1 1 1 23 53 5  o 130.5691 10.86216 177.5665   28.36525 177.5665   28.36525 ?          ?        130.5691 10.86216 ?        ?        ?         ?        
1 1 1 23 54 0  o 43.02893 25.74829 26.09603   38.57674 26.09603   38.57674 26.09603   38.57674 43.02893 25.74829 43.02893 25.74829 -0.000000 0.000000 
1 1 1 23 54 1  o 68.21281 18.32069 53.32666   25.52872 53.32666   25.52872 ?          ?        68.21281 18.32069 ?        ?        ?         ?        
1 1 1 23 54 2  f 105.4561 12.64191 116.8648   26.66333 116.8648   26.66333 ?          ?        105.4561 12.64191 ?        ?        ?         ?        
1 1 1 23 54 3  o 61.04777 20.47631 41.98057   29.49986 41.98057   29.49986 ?          ?        61.04777 20.47631 ?        ?        ?         ?        
1 1 1 23 54 4  o 180.0332 8.823114 333.0080   31.76908 333.0080   31.76908 ?          ?        180.0332 8.823114 ?        ?        ?         ?        
1 1 1 23 55 0  o 84.91979 26.04425 95.87454   38.57674 95.87454   38.57674 95.87454   38.57674 84.91979 26.04425 84.91979 26.04425 -0.000000 0.000000 
1 1 1 23 55 1  o 110.4953 13.34892 129.3455   29.49986 129.3455   29.49986 ?          ?        110.4953 13.34892 ?        ?        ?         ?        
1 1 1 23 55 2  o 42.25354 17.98283 5.673049   26.66333 5.673049   26.66333 ?          ?        42.25354 17.98283 ?        ?        ?         ?        
1 1 1 23 55 3  o 115.4764 12.03620 140.1243   27.79794 140.1243   27.79794 ?          ?        115.4764 12.03620 ?        ?        ?         ?        
1 1 1 23 56 0  o 81.14391 25.54581 88.49958   36.30752 88.49958   36.30752 88.49958   36.30752 81.14391 25.54581 81.14391 25.54581 -0.000000 0.000000 
1 1 1 23 56 1  o 40.57270 17.54052 2.269220   26.09603 2.269220   26.09603 ?          ?        40.57270 17.54052 ?        ?        ?         ?        
1 1 1 23 56 2  o 192.3487 8.405666 378.9597   32.33638 378.9597   32.33638 ?          ?        192.3487 8.405666 ?        ?        ?         ?        
1 1 1 24 0  3  o 108.3800 41.67332 162.8165   85.09574 162.8165   85.09574 162.8165   85.09574 108.3800 41.67332 108.3800 41.67332 -0.000000 0.000000 
1 1 1 24 0  4  o 239.1948 22.67194 592.2664   106.6533 592.2664   106.6533 592.2664   106.6533 239.1948 22.67194 239.1948 22.67194 -0.000000 0.000000 
1 1 1 24 0  5  o 268.6678 22.25582 743.1695   117.9994 743.1695   117.9994 743.1695   117.9994 268.6678 22.25582 268.6678 22.25582 -0.000000 0.000000 
1 1 1 24 0  6  o 209.8970 22.19813 458.9497   91.33610 458.9497   91.33610 458.9497   91.33610 209.8970 22.19813 209.8970 22.19813 -0.000000 0.000000 
1 1 1 24 0  7  o 260.7081 20.59794 698.9197   106.0860 698.9197   106.0860 698.9197   106.0860 260.7081 20.59794 260.7081 20.59794 -0.000000 0.000000 
1 1 1 24 0  8  o 312.0423 17.10675 989.9472   106.0860 989.9472   106.0860 989.9472   106.0860 312.0423 17.10675 312.0423 17.10675 -0.000000 0.000000 
1 1 1 24 0  10 o 65.23477 30.54072 64.67276   44.24979 64.67276   44.24979 64.67276   44.24979 65.23477 30.54072 65.23477 30.54072 -0.000000 0.000000 
1 1 1 24 0  11 o 46.37812 27.55816 27.23064   43.68248 27.23064   43.68248 27.23064   43.68248 46.37812 27.55816 46.37812 27.55816 -0.000000 0.000000 
1 1 1 24 0  12 o 55.19897 27.42984 47.65361   36.30752 47.65361   36.30752 47.65361   36.30752 55.19897 27.42984 55.19897 27.42984 -0.000000 0.000000 
1 1 1 24 0  13 o 32.19622 21.06311 0.5673050  32.33638 0.5673050  32.33638 0.5673050  32.33638 32.19622 21.06311 32.19622 21.06311 -0.000000 0.000000 
1 1 1 24 0  14 o 48.74578 25.51588 38.00943   32.33638 38.00943   32.33638 38.00943   32.33638 48.74578 25.51588 48.74578 25.51588 -0.000000 0.000000 
1 1 1 24 0  15 o 34.98433 21.88269 11.91340   30.63447 11.91340   30.63447 11.91340   30.63447 34.98433 21.88269 34.98433 21.88269 -0.000000 0.000000 
1 1 1 24 1  0  o 101.4509 45.83375 153.1723   99.27837 153.1723   99.27837 153.1723   99.27837 101.4509 45.83375 101.4509 45.83375 -0.000000 0.000000 
1 1 1 24 1  2  o 193.8681 24.14149 382.3636   93.60532 382.3636   93.60532 ?          ?        193.8681 24.14149 ?        ?        ?         ?        
1 1 1 24 1  3  o 104.4663 26.76164 115.7302   56.16319 115.7302   56.16319 ?          ?        104.4663 26.76164 ?        ?        ?         ?        
1 1 1 24 1  4  o 159.8079 15.79714 257.5565   50.49014 257.5565   50.49014 ?          ?        159.8079 15.79714 ?        ?        ?         ?        
1 1 1 24 1  5  o 162.4871 14.31468 266.0660   46.51900 266.0660   46.51900 ?          ?        162.4871 14.31468 ?        ?        ?         ?        
1 1 1 24 1  6  o 109.7233 21.71218 126.5090   45.95170 126.5090   45.95170 ?          ?        109.7233 21.71218 ?        ?        ?         ?        
1 1 1 24 1  7  o 509.4767 19.15229 2640.237   195.1529 2640.237   195.1529 ?          ?        509.4767 19.15229 ?        ?        ?         ?        
1 1 1 24 1  8  o 158.9583 12.31268 254.7199   39.14404 254.7199   39.14404 ?          ?        158.9583 12.31268 ?        ?        ?         ?        
1 1 1 24 1  9  o 382.8192 15.56009 1490.310   119.1340 1490.310   119.1340 ?          ?        382.8192 15.56009 ?        ?        ?         ?        
1 1 1 24 1  10 o 40.84343 17.88124 -5.105744  27.79794 -5.105744  27.79794 ?          ?        40.84343 17.88124 ?        ?        ?         ?        
1 1 1 24 1  11 o 105.3101 13.73684 113.4610   28.93255 113.4610   28.93255 ?          ?        105.3101 13.73684 ?        ?        ?         ?        
1 1 1 24 1  12 o 40.29877 17.38450 -0.5673050 25.52872 -0.5673050 25.52872 ?          ?        40.29877 17.38450 ?        ?        ?         ?        
1 1 1 24 1  13 o 52.39464 18.55459 26.66333   24.39412 26.66333   24.39412 ?          ?        52.39464 18.55459 ?        ?        ?         ?        
1 1 1 24 1  14 o 54.83816 17.47415 32.33638   21.55759 32.33638   21.55759 ?          ?        54.83816 17.47415 ?        ?        ?         ?        
1 1 1 24 1  15 o 44.79823 17.15774 17.01915   21.55759 17.01915   21.55759 ?          ?        44.79823 17.15774 ?        ?        ?         ?        
1 1 1 24 2  0  o 46.86160 32.15460 -48.78823  91.90340 -48.78823  91.90340 -48.78823  91.90340 46.86160 32.15460 46.86160 32.15460 -0.000000 0.000000 
1 1 1 24 2  1  o 326.0395 16.96489 1072.206   110.6245 1072.206   110.6245 ?          ?        326.0395 16.96489 ?        ?        ?         ?        
1 1 1 24 2  2  o 149.6303 16.87162 225.7874   50.49014 225.7874   50.49014 ?          ?        149.6303 16.87162 ?        ?        ?         ?        
1 1 1 24 2  3  o 184.0967 25.26880 345.4887   93.03801 345.4887   93.03801 ?          ?        184.0967 25.26880 ?        ?        ?         ?        
1 1 1 24 2  4  o 260.5962 15.56520 684.7371   81.12460 684.7371   81.12460 ?          ?        260.5962 15.56520 ?        ?        ?         ?        
1 1 1 24 2  5  o 170.7879 20.09624 296.1332   68.64390 296.1332   68.64390 ?          ?        170.7879 20.09624 ?        ?        ?         ?        
1 1 1 24 2  6  o 191.6365 16.87381 371.0175   64.67276 371.0175   64.67276 ?          ?        191.6365 16.87381 ?        ?        ?         ?        
1 1 1 24 2  7  o 214.3121 11.91194 462.3535   51.05745 462.3535   51.05745 ?          ?        214.3121 11.91194 ?        ?        ?         ?        
1 1 1 24 2  8  o 172.3129 14.15688 300.1043   48.78823 300.1043   48.78823 ?          ?        172.3129 14.15688 ?        ?        ?         ?        
1 1 1 24 2  9  o 282.1697 13.36989 806.1404   75.45156 806.1404   75.45156 ?          ?        282.1697 13.36989 ?        ?        ?         ?        
1 1 1 24 2  10 o 127.1040 14.28260 164.5184   36.30752 164.5184   36.30752 ?          ?        127.1040 14.28260 ?        ?        ?         ?        
1 1 1 24 2  11 o 47.52364 19.33849 10.77879   28.93255 10.77879   28.93255 ?          ?        47.52364 19.33849 ?        ?        ?         ?        
1 1 1 24 2  12 o 40.33128 17.18374 1.701915   24.39412 1.701915   24.39412 ?          ?        40.33128 17.18374 ?        ?        ?         ?        
1 1 1 24 2  13 o 127.4246 10.68500 166.2204   27.23064 166.2204   27.23064 ?          ?        127.4246 10.68500 ?        ?        ?         ?        
1 1 1 24 2  14 o 90.47275 12.54090 85.09574   22.69220 85.09574   22.69220 ?          ?        90.47275 12.54090 ?        ?        ?         ?        
1 1 1 24 2  15 o 75.49433 14.41800 62.40355   20.99029 62.40355   20.99029 ?          ?        75.49433 14.41800 ?        ?        ?         ?        
1 1 1 24 3  0  o 75.64160 45.19590 68.07660   118.5667 68.07660   118.5667 68.07660   118.5667 75.64160 45.19590 75.64160 45.19590 -0.000000 0.000000 
1 1 1 24 3  1  o 385.4884 16.18818 1497.685   124.8071 1497.685   124.8071 ?          ?        385.4884 16.18818 ?        ?        ?         ?        
1 1 1 24 3  2  o 67.58392 26.71354 26.66333   53.32666 26.66333   53.32666 ?          ?        67.58392 26.71354 ?        ?        ?         ?        
1 1 1 24 3  3  o 83.47279 29.66484 62.40355   62.40355 62.40355   62.40355 ?          ?        83.47279 29.66484 ?        ?        ?         ?        
1 1 1 24 3  4  f 121.0495 22.63172 153.7396   52.75936 153.7396   52.75936 ?          ?        121.0495 22.63172 ?        ?        ?         ?        
1 1 1 24 3  5  o 353.1734 12.68983 1254.879   89.63419 1254.879   89.63419 ?          ?        353.1734 12.68983 ?        ?        ?         ?        
1 1 1 24 3  6  o 155.5204 19.15088 245.0758   59.56702 245.0758   59.56702 ?          ?        155.5204 19.15088 ?        ?        ?         ?        
1 1 1 24 3  7  o 379.5234 15.32152 1456.272   116.2975 1456.272   116.2975 ?          ?        379.5234 15.32152 ?        ?        ?         ?        
1 1 1 24 3  8  o 95.90948 17.82029 96.44185   32.90369 96.44185   32.90369 ?          ?        95.90948 17.82029 ?        ?        ?         ?        
1 1 1 24 3  9  o 313.4866 11.40088 991.6491   71.48043 991.6491   71.48043 ?          ?        313.4866 11.40088 ?        ?        ?         ?        
1 1 1 24 3  10 o 136.5903 11.83700 188.9126   32.33638 188.9126   32.33638 ?          ?        136.5903 11.83700 ?        ?        ?         ?        
1 1 1 24 3  11 o 82.74155 19.49527 74.31695   31.76908 74.31695   31.76908 ?          ?        82.74155 19.49527 ?        ?        ?         ?        
1 1 1 24 3  12 o 46.60886 18.32274 14.74993   24.96142 14.74993   24.96142 ?          ?        46.60886 18.32274 ?        ?        ?         ?        
1 1 1 24 3  13 o 66.81030 18.19363 49.35553   24.96142 49.35553   24.96142 ?          ?        66.81030 18.19363 ?        ?        ?         ?        
1 1 1 24 3  14 o 63.78300 17.93343 45.38440   23.82681 45.38440   23.82681 ?          ?        63.78300 17.93343 ?        ?        ?         ?        
1 1 1 24 3  15 o 99.47166 11.69152 103.2495   23.25950 103.2495   23.25950 ?          ?        99.47166 11.69152 ?        ?        ?         ?        
1 1 1 24 4  0  o 80.43363 43.22818 96.44185   94.73994 96.44185   94.73994 96.44185   94.73994 80.43363 43.22818 80.43363 43.22818 -0.000000 0.000000 
1 1 1 24 4  1  o 276.2903 16.83700 769.8329   93.03801 769.8329   93.03801 ?          ?        276.2903 16.83700 ?        ?        ?         ?        
1 1 1 24 4  2  o 175.6391 16.14973 310.8831   56.73050 310.8831   56.73050 ?          ?        175.6391 16.14973 ?        ?        ?         ?        
1 1 1 24 4  3  o 62.25162 25.10837 18.15376   48.22092 18.15376   48.22092 ?          ?        62.25162 25.10837 ?        ?        ?         ?        
1 1 1 24 4  4  o 287.2996 13.32863 830.5344   76.58617 830.5344   76.58617 ?          ?        287.2996 13.32863 ?        ?        ?         ?        
1 1 1 24 4  5  o 340.8569 13.98053 1170.350   95.30723 1170.350   95.30723 ?          ?        340.8569 13.98053 ?        ?        ?         ?        
1 1 1 24 4  6  o 131.3416 13.17389 173.5953   34.60560 173.5953   34.60560 ?          ?        131.3416 13.17389 ?        ?        ?         ?        
1 1 1 24 4  7  o 181.8062 11.07736 332.4407   40.27865 332.4407   40.27865 ?          ?        181.8062 11.07736 ?        ?        ?         ?        
1 1 1 24 4  8  o 167.3118 11.52840 281.9506   38.57674 281.9506   38.57674 ?          ?        167.3118 11.52840 ?        ?        ?         ?        
1 1 1 24 4  9  o 318.0865 13.46537 1024.553   85.66305 1024.553   85.66305 ?          ?        318.0865 13.46537 ?        ?        ?         ?        
1 1 1 24 4  10 f 75.37189 17.92522 60.70163   26.66333 60.70163   26.66333 ?          ?        75.37189 17.92522 ?        ?        ?         ?        
1 1 1 24 4  11 o 87.49235 15.81749 81.12460   26.66333 81.12460   26.66333 ?          ?        87.49235 15.81749 ?        ?        ?         ?        
1 1 1 24 4  12 o 37.51263 16.80764 -9.644185  26.09603 -9.644185  26.09603 ?          ?        37.51263 16.80764 ?        ?        ?         ?        
1 1 1 24 4  13 o 42.95144 17.39095 10.21149   23.25950 10.21149   23.25950 ?          ?        42.95144 17.39095 ?        ?        ?         ?        
1 1 1 24 4  14 o 50.49717 17.69155 25.52872   22.12490 25.52872   22.12490 ?          ?        50.49717 17.69155 ?        ?        ?         ?        
1 1 1 24 4  15 o 69.68333 17.18232 55.02858   23.82681 55.02858   23.82681 ?          ?        69.68333 17.18232 ?        ?        ?         ?        
1 1 1 24 5  0  o 50.20528 32.35611 6.240355   72.61504 6.240355   72.61504 6.240355   72.61504 50.20528 32.35611 50.20528 32.35611 -0.000000 0.000000 
1 1 1 24 5  1  o 291.0922 16.66296 854.3613   97.00916 854.3613   97.00916 ?          ?        291.0922 16.66296 ?        ?        ?         ?        
1 1 1 24 5  2  o 143.9130 21.28679 209.9028   61.26894 209.9028   61.26894 ?          ?        143.9130 21.28679 ?        ?        ?         ?        
1 1 1 24 5  3  o 191.4283 14.22498 368.7482   54.46128 368.7482   54.46128 ?          ?        191.4283 14.22498 ?        ?        ?         ?        
1 1 1 24 5  4  o 186.4471 15.51783 350.5945   57.86510 350.5945   57.86510 ?          ?        186.4471 15.51783 ?        ?        ?         ?        
1 1 1 24 5  5  o 447.6045 17.30034 2025.846   154.8743 2025.846   154.8743 ?          ?        447.6045 17.30034 ?        ?        ?         ?        
1 1 1 24 5  6  o 167.9139 10.47349 283.0852   35.17290 283.0852   35.17290 ?          ?        167.9139 10.47349 ?        ?        ?         ?        
1 1 1 24 5  7  o 113.4228 14.50489 129.9128   32.90369 129.9128   32.90369 ?          ?        113.4228 14.50489 ?        ?        ?         ?        
1 1 1 24 5  8  o 39.34123 18.38875 -33.47099  35.74022 -33.47099  35.74022 ?          ?        39.34123 18.38875 ?        ?        ?         ?        
1 1 1 24 5  9  o 255.3730 10.88523 657.5065   55.59589 657.5065   55.59589 ?          ?        255.3730 10.88523 ?        ?        ?         ?        
1 1 1 24 5  10 o 33.64577 16.02896 -36.30752  29.49986 -36.30752  29.49986 ?          ?        33.64577 16.02896 ?        ?        ?         ?        
1 1 1 24 5  11 o 140.7450 9.472213 200.2587   26.66333 200.2587   26.66333 ?          ?        140.7450 9.472213 ?        ?        ?         ?        
1 1 1 24 5  12 o 51.40668 18.71223 23.82681   24.96142 23.82681   24.96142 ?          ?        51.40668 18.71223 ?        ?        ?         ?        
1 1 1 24 5  13 o 107.6283 12.38677 119.7014   26.66333 119.7014   26.66333 ?          ?        107.6283 12.38677 ?        ?        ?         ?        
1 1 1 24 5  14 o 53.85956 17.95890 30.63447   22.69220 30.63447   22.69220 ?          ?        53.85956 17.95890 ?        ?        ?         ?        
1 1 1 24 5  15 o 116.8809 8.979344 140.1243   20.99029 140.1243   20.99029 ?          ?        116.8809 8.979344 ?        ?        ?         ?        
1 1 1 24 6  1  o 258.2845 17.79112 673.3909   91.90340 673.3909   91.90340 ?          ?        258.2845 17.79112 ?        ?        ?         ?        
1 1 1 24 6  2  o 75.27744 32.88561 -14.74993  93.60532 -14.74993  93.60532 ?          ?        75.27744 32.88561 ?        ?        ?         ?        
1 1 1 24 6  3  o 95.58228 35.46712 76.01886   90.20149 76.01886   90.20149 ?          ?        95.58228 35.46712 ?        ?        ?         ?        
1 1 1 24 6  4  o 356.6972 19.00574 1288.917   135.5859 1288.917   135.5859 ?          ?        356.6972 19.00574 ?        ?        ?         ?        
1 1 1 24 6  5  o 216.8383 10.20341 471.9977   44.24979 471.9977   44.24979 ?          ?        216.8383 10.20341 ?        ?        ?         ?        
1 1 1 24 6  6  o 90.27199 23.61219 86.23035   43.11518 86.23035   43.11518 ?          ?        90.27199 23.61219 ?        ?        ?         ?        
1 1 1 24 6  7  o 295.1292 10.38002 875.3516   61.26894 875.3516   61.26894 ?          ?        295.1292 10.38002 ?        ?        ?         ?        
1 1 1 24 6  8  o 246.2604 10.13619 609.8528   49.92284 609.8528   49.92284 ?          ?        246.2604 10.13619 ?        ?        ?         ?        
1 1 1 24 6  9  o 150.4910 13.19393 229.1912   39.71135 229.1912   39.71135 ?          ?        150.4910 13.19393 ?        ?        ?         ?        
1 1 1 24 6  10 o 150.6021 10.92405 229.1912   32.90369 229.1912   32.90369 ?          ?        150.6021 10.92405 ?        ?        ?         ?        
1 1 1 24 6  11 o 161.2899 9.848440 263.2295   31.76908 263.2295   31.76908 ?          ?        161.2899 9.848440 ?        ?        ?         ?        
1 1 1 24 6  12 o 25.62531 12.66027 -52.19205  23.82681 -52.19205  23.82681 ?          ?        25.62531 12.66027 ?        ?        ?         ?        
1 1 1 24 6  13 o 79.71118 16.88503 69.77851   26.09603 69.77851   26.09603 ?          ?        79.71118 16.88503 ?        ?        ?         ?        
1 1 1 24 6  14 f 57.09616 17.62171 35.74022   22.12490 35.74022   22.12490 ?          ?        57.09616 17.62171 ?        ?        ?         ?        
1 1 1 24 6  15 o 64.15829 18.73502 47.08631   25.52872 47.08631   25.52872 ?          ?        64.15829 18.73502 ?        ?        ?         ?        
1 1 1 24 7  1  o 192.6702 13.69162 373.2867   52.75936 373.2867   52.75936 ?          ?        192.6702 13.69162 ?        ?        ?         ?        
1 1 1 24 7  2  o 69.91624 31.19553 -32.90369  89.06688 -32.90369  89.06688 ?          ?        69.91624 31.19553 ?        ?        ?         ?        
1 1 1 24 7  3  f 138.1875 22.37404 194.0183   61.83624 194.0183   61.83624 ?          ?        138.1875 22.37404 ?        ?        ?         ?        
1 1 1 24 7  4  o 124.4276 17.55337 156.5762   43.68248 156.5762   43.68248 ?          ?        124.4276 17.55337 ?        ?        ?         ?        
1 1 1 24 7  5  o 246.6760 11.72897 611.5547   57.86510 611.5547   57.86510 ?          ?        246.6760 11.72897 ?        ?        ?         ?        
1 1 1 24 7  6  o 186.1387 11.88624 348.3253   44.24979 348.3253   44.24979 ?          ?        186.1387 11.88624 ?        ?        ?         ?        
1 1 1 24 7  7  o 165.3567 13.55164 275.7102   44.81709 275.7102   44.81709 ?          ?        165.3567 13.55164 ?        ?        ?         ?        
1 1 1 24 7  8  o 244.9563 10.42174 603.6125   51.05745 603.6125   51.05745 ?          ?        244.9563 10.42174 ?        ?        ?         ?        
1 1 1 24 7  9  o 235.3530 9.159685 557.0934   43.11518 557.0934   43.11518 ?          ?        235.3530 9.159685 ?        ?        ?         ?        
1 1 1 24 7  10 o 161.0519 10.91974 262.0949   35.17290 262.0949   35.17290 ?          ?        161.0519 10.91974 ?        ?        ?         ?        
1 1 1 24 7  11 o 137.8761 10.90369 192.8837   30.06716 192.8837   30.06716 ?          ?        137.8761 10.90369 ?        ?        ?         ?        
1 1 1 24 7  12 o 121.1796 11.00157 149.7685   26.66333 149.7685   26.66333 ?          ?        121.1796 11.00157 ?        ?        ?         ?        
1 1 1 24 7  13 o 57.40416 19.25878 34.60560   26.09603 34.60560   26.09603 ?          ?        57.40416 19.25878 ?        ?        ?         ?        
1 1 1 24 7  14 o 60.96036 17.61934 41.41326   22.69220 41.41326   22.69220 ?          ?        60.96036 17.61934 ?        ?        ?         ?        
1 1 1 24 7  15 o 96.25120 13.55621 98.14376   26.09603 98.14376   26.09603 ?          ?        96.25120 13.55621 ?        ?        ?         ?        
1 1 1 24 8  0  o 212.5305 28.24783 466.3247   119.1340 466.3247   119.1340 466.3247   119.1340 212.5305 28.24783 212.5305 28.24783 -0.000000 0.000000 
1 1 1 24 8  1  o 197.6332 21.52871 395.9789   85.09574 395.9789   85.09574 ?          ?        197.6332 21.52871 ?        ?        ?         ?        
1 1 1 24 8  2  o 219.4255 19.00277 486.7477   83.39383 486.7477   83.39383 ?          ?        219.4255 19.00277 ?        ?        ?         ?        
1 1 1 24 8  3  f 260.0516 11.23477 679.0640   58.43241 679.0640   58.43241 ?          ?        260.0516 11.23477 ?        ?        ?         ?        
1 1 1 24 8  4  o 108.3551 23.18661 124.2398   48.78823 124.2398   48.78823 ?          ?        108.3551 23.18661 ?        ?        ?         ?        
1 1 1 24 8  5  o 213.1775 13.03981 457.2478   55.59589 457.2478   55.59589 ?          ?        213.1775 13.03981 ?        ?        ?         ?        
1 1 1 24 8  6  o 134.3637 14.98867 182.1049   40.27865 182.1049   40.27865 ?          ?        134.3637 14.98867 ?        ?        ?         ?        
1 1 1 24 8  7  o 489.8081 24.49633 2463.238   239.9700 2463.238   239.9700 ?          ?        489.8081 24.49633 ?        ?        ?         ?        
1 1 1 24 8  8  o 214.3414 9.660583 461.7863   41.41326 461.7863   41.41326 ?          ?        214.3414 9.660583 ?        ?        ?         ?        
1 1 1 24 8  9  o 186.0231 10.97873 348.8925   40.84595 348.8925   40.84595 ?          ?        186.0231 10.97873 ?        ?        ?         ?        
1 1 1 24 8  10 o 112.9540 14.31396 129.9128   32.33638 129.9128   32.33638 ?          ?        112.9540 14.31396 ?        ?        ?         ?        
1 1 1 24 8  11 o 154.7957 9.345401 242.2392   28.93255 242.2392   28.93255 ?          ?        154.7957 9.345401 ?        ?        ?         ?        
1 1 1 24 8  12 o 134.8151 10.30966 184.9414   27.79794 184.9414   27.79794 ?          ?        134.8151 10.30966 ?        ?        ?         ?        
1 1 1 24 8  13 o 158.1312 10.58330 256.4218   33.47099 256.4218   33.47099 ?          ?        158.1312 10.58330 ?        ?        ?         ?        
1 1 1 24 8  14 o 70.33730 16.41470 55.02858   22.69220 55.02858   22.69220 ?          ?        70.33730 16.41470 ?        ?        ?         ?        
1 1 1 24 8  15 o 27.31375 12.98804 -21.55759  19.28837 -21.55759  19.28837 ?          ?        27.31375 12.98804 ?        ?        ?         ?        
1 1 1 24 9  0  o 33.37175 23.63808 -62.97085  60.13433 -62.97085  60.13433 -62.97085  60.13433 33.37175 23.63808 33.37175 23.63808 -0.000000 0.000000 
1 1 1 24 9  1  o 212.8407 20.92337 458.9497   89.06688 458.9497   89.06688 ?          ?        212.8407 20.92337 ?        ?        ?         ?        
1 1 1 24 9  2  o 153.4662 12.01399 236.5662   36.87482 236.5662   36.87482 ?          ?        153.4662 12.01399 ?        ?        ?         ?        
1 1 1 24 9  3  o 303.4194 14.30325 926.9763   86.79766 926.9763   86.79766 ?          ?        303.4194 14.30325 ?        ?        ?         ?        
1 1 1 24 9  4  o 80.81181 22.16056 68.64390   36.87482 68.64390   36.87482 ?          ?        80.81181 22.16056 ?        ?        ?         ?        
1 1 1 24 9  5  o 170.4883 11.97911 292.1620   40.84595 292.1620   40.84595 ?          ?        170.4883 11.97911 ?        ?        ?         ?        
1 1 1 24 9  6  o 83.87095 22.03462 74.31695   37.44213 74.31695   37.44213 ?          ?        83.87095 22.03462 ?        ?        ?         ?        
1 1 1 24 9  7  o 641.5754 30.41777 4283.152   390.3058 4283.152   390.3058 ?          ?        641.5754 30.41777 ?        ?        ?         ?        
1 1 1 24 9  8  o 203.2656 10.74517 415.8346   43.68248 415.8346   43.68248 ?          ?        203.2656 10.74517 ?        ?        ?         ?        
1 1 1 24 9  9  o 211.6001 9.383582 450.4402   39.71135 450.4402   39.71135 ?          ?        211.6001 9.383582 ?        ?        ?         ?        
1 1 1 24 9  10 o 143.2551 11.28630 207.6336   32.33638 207.6336   32.33638 ?          ?        143.2551 11.28630 ?        ?        ?         ?        
1 1 1 24 9  11 o 72.42094 18.05848 56.73050   26.09603 56.73050   26.09603 ?          ?        72.42094 18.05848 ?        ?        ?         ?        
1 1 1 24 9  12 o 65.02133 17.49831 45.95170   23.25950 45.95170   23.25950 ?          ?        65.02133 17.49831 ?        ?        ?         ?        
1 1 1 24 9  13 o 196.9895 8.783614 394.8442   34.60560 394.8442   34.60560 ?          ?        196.9895 8.783614 ?        ?        ?         ?        
1 1 1 24 9  14 o 77.11142 17.00982 66.37468   25.52872 66.37468   25.52872 ?          ?        77.11142 17.00982 ?        ?        ?         ?        
1 1 1 24 9  15 o 111.2173 10.45678 128.2109   23.25950 128.2109   23.25950 ?          ?        111.2173 10.45678 ?        ?        ?         ?        
1 1 1 24 10 0  o 121.2815 34.08028 179.8357   71.48043 179.8357   71.48043 179.8357   71.48043 121.2815 34.08028 121.2815 34.08028 -0.000000 0.000000 
1 1 1 24 10 1  o 215.8030 15.64142 469.1612   67.50929 469.1612   67.50929 ?          ?        215.8030 15.64142 ?        ?        ?         ?        
1 1 1 24 10 2  o 213.2513 13.16831 457.2478   56.16319 457.2478   56.16319 ?          ?        213.2513 13.16831 ?        ?        ?         ?        
1 1 1 24 10 3  o 237.8536 13.95284 569.5742   66.37468 569.5742   66.37468 ?          ?        237.8536 13.95284 ?        ?        ?         ?        
1 1 1 24 10 4  o 158.0759 14.53469 251.8834   45.95170 251.8834   45.95170 ?          ?        158.0759 14.53469 ?        ?        ?         ?        
1 1 1 24 10 5  f 171.4488 12.40833 295.5659   42.54787 295.5659   42.54787 ?          ?        171.4488 12.40833 ?        ?        ?         ?        
1 1 1 24 10 6  o 61.45298 22.84118 30.06716   37.44213 30.06716   37.44213 ?          ?        61.45298 22.84118 ?        ?        ?         ?        
1 1 1 24 10 7  o 374.6926 16.12468 1419.964   120.8360 1419.964   120.8360 ?          ?        374.6926 16.12468 ?        ?        ?         ?        
1 1 1 24 10 8  o 245.7884 9.117007 607.0163   44.81709 607.0163   44.81709 ?          ?        245.7884 9.117007 ?        ?        ?         ?        
1 1 1 24 10 9  o 300.2452 10.86446 908.8225   65.24007 908.8225   65.24007 ?          ?        300.2452 10.86446 ?        ?        ?         ?        
1 1 1 24 10 10 o 128.6305 10.80534 167.3549   27.79794 167.3549   27.79794 ?          ?        128.6305 10.80534 ?        ?        ?         ?        
1 1 1 24 10 11 o 215.8466 8.936149 470.8631   38.57674 470.8631   38.57674 ?          ?        215.8466 8.936149 ?        ?        ?         ?        
1 1 1 24 10 12 o 163.8798 9.173542 272.3064   30.06716 272.3064   30.06716 ?          ?        163.8798 9.173542 ?        ?        ?         ?        
1 1 1 24 10 13 o 106.6593 11.96741 117.4321   25.52872 117.4321   25.52872 ?          ?        106.6593 11.96741 ?        ?        ?         ?        
1 1 1 24 10 14 o 87.74432 13.90068 81.12460   24.39412 81.12460   24.39412 ?          ?        87.74432 13.90068 ?        ?        ?         ?        
1 1 1 24 10 15 o 61.07298 18.17561 42.54787   23.82681 42.54787   23.82681 ?          ?        61.07298 18.17561 ?        ?        ?         ?        
1 1 1 24 11 0  o 169.9486 26.52390 306.9120   85.09574 306.9120   85.09574 306.9120   85.09574 169.9486 26.52390 169.9486 26.52390 -0.000000 0.000000 
1 1 1 24 11 1  o 121.1517 16.85736 148.0666   40.84595 148.0666   40.84595 ?          ?        121.1517 16.85736 ?        ?        ?         ?        
1 1 1 24 11 2  o 334.6233 12.63039 1125.533   84.52843 1125.533   84.52843 ?          ?        334.6233 12.63039 ?        ?        ?         ?        
1 1 1 24 11 3  o 179.9349 10.56200 325.0657   38.00943 325.0657   38.00943 ?          ?        179.9349 10.56200 ?        ?        ?         ?        
1 1 1 24 11 4  o 123.9725 17.38901 155.4416   43.11518 155.4416   43.11518 ?          ?        123.9725 17.38901 ?        ?        ?         ?        
1 1 1 24 11 5  o 106.2948 19.39964 117.9994   39.71135 117.9994   39.71135 ?          ?        106.2948 19.39964 ?        ?        ?         ?        
1 1 1 24 11 6  o 119.8743 15.61724 145.2301   37.44213 145.2301   37.44213 ?          ?        119.8743 15.61724 ?        ?        ?         ?        
1 1 1 24 11 7  o 117.2009 13.06921 138.4224   30.63447 138.4224   30.63447 ?          ?        117.2009 13.06921 ?        ?        ?         ?        
1 1 1 24 11 8  f 247.3782 10.54904 616.0932   52.19205 616.0932   52.19205 ?          ?        247.3782 10.54904 ?        ?        ?         ?        
1 1 1 24 11 9  o 160.9046 10.57717 260.9603   34.03830 260.9603   34.03830 ?          ?        160.9046 10.57717 ?        ?        ?         ?        
1 1 1 24 11 10 f 116.5863 13.13811 138.4224   30.63447 138.4224   30.63447 ?          ?        116.5863 13.13811 ?        ?        ?         ?        
1 1 1 24 11 11 o 151.7035 9.722869 233.1623   29.49986 233.1623   29.49986 ?          ?        151.7035 9.722869 ?        ?        ?         ?        
1 1 1 24 11 12 o 109.9329 11.86907 123.6725   26.09603 123.6725   26.09603 ?          ?        109.9329 11.86907 ?        ?        ?         ?        
1 1 1 24 11 13 o 89.00857 13.06588 82.25922   23.25950 82.25922   23.25950 ?          ?        89.00857 13.06588 ?        ?        ?         ?        
1 1 1 24 11 14 o 37.38971 15.81804 3.403830   20.42298 3.403830   20.42298 ?          ?        37.38971 15.81804 ?        ?        ?         ?        
1 1 1 24 11 15 o 102.1317 11.94248 109.4899   24.39412 109.4899   24.39412 ?          ?        102.1317 11.94248 ?        ?        ?         ?        
1 1 1 24 12 0  o 124.3314 23.63346 170.7588   52.75936 170.7588   52.75936 170.7588   52.75936 124.3314 23.63346 124.3314 23.63346 -0.000000 0.000000 
1 1 1 24 12 1  o 196.0938 12.15072 386.3347   47.65361 386.3347   47.65361 ?          ?        196.0938 12.15072 ?        ?        ?         ?        
1 1 1 24 12 2  o 131.4365 15.53828 174.1626   40.84595 174.1626   40.84595 ?          ?        131.4365 15.53828 ?        ?        ?         ?        
1 1 1 24 12 3  o 131.2442 17.29006 174.1626   45.38440 174.1626   45.38440 ?          ?        131.2442 17.29006 ?        ?        ?         ?        
1 1 1 24 12 4  o 141.6689 13.01444 201.9606   36.87482 201.9606   36.87482 ?          ?        141.6689 13.01444 ?        ?        ?         ?        
1 1 1 24 12 5  o 107.3108 19.48584 120.2687   40.27865 120.2687   40.27865 ?          ?        107.3108 19.48584 ?        ?        ?         ?        
1 1 1 24 12 6  o 151.7360 14.95505 232.5950   45.38440 232.5950   45.38440 ?          ?        151.7360 14.95505 ?        ?        ?         ?        
1 1 1 24 12 7  o 264.5241 8.792962 702.3236   46.51900 702.3236   46.51900 ?          ?        264.5241 8.792962 ?        ?        ?         ?        
1 1 1 24 12 8  o 389.5245 11.14149 1529.454   86.79766 1529.454   86.79766 ?          ?        389.5245 11.14149 ?        ?        ?         ?        
1 1 1 24 12 9  o 139.1217 12.23328 195.7202   34.03830 195.7202   34.03830 ?          ?        139.1217 12.23328 ?        ?        ?         ?        
1 1 1 24 12 10 o 132.8728 11.52775 179.2684   30.63447 179.2684   30.63447 ?          ?        132.8728 11.52775 ?        ?        ?         ?        
1 1 1 24 12 11 o 130.5657 10.21070 173.0280   26.66333 173.0280   26.66333 ?          ?        130.5657 10.21070 ?        ?        ?         ?        
1 1 1 24 12 12 o 81.50101 16.23730 71.48043   25.52872 71.48043   25.52872 ?          ?        81.50101 16.23730 ?        ?        ?         ?        
1 1 1 24 12 13 o 48.54402 19.50290 15.31723   28.93255 15.31723   28.93255 ?          ?        48.54402 19.50290 ?        ?        ?         ?        
1 1 1 24 12 14 o 54.95847 18.83545 31.76908   24.96142 31.76908   24.96142 ?          ?        54.95847 18.83545 ?        ?        ?         ?        
1 1 1 24 12 15 o 148.1354 11.87187 230.3258   35.17290 230.3258   35.17290 ?          ?        148.1354 11.87187 ?        ?        ?         ?        
1 1 1 24 13 0  o 127.1842 20.83922 173.0280   49.35553 173.0280   49.35553 173.0280   49.35553 127.1842 20.83922 127.1842 20.83922 -0.000000 0.000000 
1 1 1 24 13 1  f 280.8758 10.80578 791.9578   60.70163 791.9578   60.70163 ?          ?        280.8758 10.80578 ?        ?        ?         ?        
1 1 1 24 13 2  f 222.6995 11.08120 498.0938   49.35553 498.0938   49.35553 ?          ?        222.6995 11.08120 ?        ?        ?         ?        
1 1 1 24 13 3  o 384.5882 13.42338 1489.176   103.2495 1489.176   103.2495 ?          ?        384.5882 13.42338 ?        ?        ?         ?        
1 1 1 24 13 4  o 249.5774 12.27453 626.3047   61.26894 626.3047   61.26894 ?          ?        249.5774 12.27453 ?        ?        ?         ?        
1 1 1 24 13 5  o 151.8986 12.32471 232.0277   37.44213 232.0277   37.44213 ?          ?        151.8986 12.32471 ?        ?        ?         ?        
1 1 1 24 13 6  o 124.0140 15.09592 155.4416   37.44213 155.4416   37.44213 ?          ?        124.0140 15.09592 ?        ?        ?         ?        
1 1 1 24 13 7  o 224.4142 10.74373 506.6033   48.22092 506.6033   48.22092 ?          ?        224.4142 10.74373 ?        ?        ?         ?        
1 1 1 24 13 8  o 287.1582 11.65594 832.2363   66.94199 832.2363   66.94199 ?          ?        287.1582 11.65594 ?        ?        ?         ?        
1 1 1 24 13 9  o 211.5951 9.517859 451.0074   40.27865 451.0074   40.27865 ?          ?        211.5951 9.517859 ?        ?        ?         ?        
1 1 1 24 13 10 o 100.6743 14.08763 103.8168   28.36525 103.8168   28.36525 ?          ?        100.6743 14.08763 ?        ?        ?         ?        
1 1 1 24 13 11 o 152.8320 10.20786 237.1335   31.20177 237.1335   31.20177 ?          ?        152.8320 10.20786 ?        ?        ?         ?        
1 1 1 24 13 12 o 164.5765 10.34118 275.7102   34.03830 275.7102   34.03830 ?          ?        164.5765 10.34118 ?        ?        ?         ?        
1 1 1 24 13 13 o 59.65921 19.24753 38.57674   26.09603 38.57674   26.09603 ?          ?        59.65921 19.24753 ?        ?        ?         ?        
1 1 1 24 13 14 o 62.00048 18.63423 43.11518   24.96142 43.11518   24.96142 ?          ?        62.00048 18.63423 ?        ?        ?         ?        
1 1 1 24 13 15 o 45.79115 19.06884 11.34610   28.93255 11.34610   28.93255 ?          ?        45.79115 19.06884 ?        ?        ?         ?        
1 1 1 24 14 0  o 158.9008 15.81552 260.9603   49.35553 260.9603   49.35553 260.9603   49.35553 158.9008 15.81552 158.9008 15.81552 -0.000000 0.000000 
1 1 1 24 14 1  f 256.0172 9.528313 657.5065   48.78823 657.5065   48.78823 ?          ?        256.0172 9.528313 ?        ?        ?         ?        
1 1 1 24 14 2  o 264.0359 9.561228 699.4871   50.49014 699.4871   50.49014 ?          ?        264.0359 9.561228 ?        ?        ?         ?        
1 1 1 24 14 3  o 141.6596 15.61835 202.5279   44.24979 202.5279   44.24979 ?          ?        141.6596 15.61835 ?        ?        ?         ?        
1 1 1 24 14 4  o 452.4780 15.23335 2064.423   137.8551 2064.423   137.8551 ?          ?        452.4780 15.23335 ?        ?        ?         ?        
1 1 1 24 14 5  o 129.3338 16.66817 169.0569   43.11518 169.0569   43.11518 ?          ?        129.3338 16.66817 ?        ?        ?         ?        
1 1 1 24 14 6  o 184.6173 12.29148 343.2195   45.38440 343.2195   45.38440 ?          ?        184.6173 12.29148 ?        ?        ?         ?        
1 1 1 24 14 7  o 251.6104 10.03340 636.5162   50.49014 636.5162   50.49014 ?          ?        251.6104 10.03340 ?        ?        ?         ?        
1 1 1 24 14 8  o 186.1101 10.21155 348.8925   38.00943 348.8925   38.00943 ?          ?        186.1101 10.21155 ?        ?        ?         ?        
1 1 1 24 14 9  o 136.0745 12.71568 187.7779   34.60560 187.7779   34.60560 ?          ?        136.0745 12.71568 ?        ?        ?         ?        
1 1 1 24 14 10 o 121.9636 12.09372 151.4704   29.49986 151.4704   29.49986 ?          ?        121.9636 12.09372 ?        ?        ?         ?        
1 1 1 24 14 11 o 175.2637 9.063221 310.8831   31.76908 310.8831   31.76908 ?          ?        175.2637 9.063221 ?        ?        ?         ?        
1 1 1 24 14 12 o 95.03260 14.62548 93.60532   27.79794 93.60532   27.79794 ?          ?        95.03260 14.62548 ?        ?        ?         ?        
1 1 1 24 14 13 o 80.22013 16.47749 70.91312   25.52872 70.91312   25.52872 ?          ?        80.22013 16.47749 ?        ?        ?         ?        
1 1 1 24 14 14 o 54.44394 18.18200 31.76908   23.25950 31.76908   23.25950 ?          ?        54.44394 18.18200 ?        ?        ?         ?        
1 1 1 24 14 15 o 58.94270 20.44959 38.57674   29.49986 38.57674   29.49986 ?          ?        58.94270 20.44959 ?        ?        ?         ?        
1 1 1 24 15 0  o 179.9877 15.99916 333.0080   56.73050 333.0080   56.73050 333.0080   56.73050 179.9877 15.99916 179.9877 15.99916 -0.000000 0.000000 
1 1 1 24 15 1  o 169.9111 10.68427 289.8928   36.30752 289.8928   36.30752 ?          ?        169.9111 10.68427 ?        ?        ?         ?        
1 1 1 24 15 2  o 279.4008 9.746086 783.4482   54.46128 783.4482   54.46128 ?          ?        279.4008 9.746086 ?        ?        ?         ?        
1 1 1 24 15 3  o 128.9622 12.97706 167.3549   33.47099 167.3549   33.47099 ?          ?        128.9622 12.97706 ?        ?        ?         ?        
1 1 1 24 15 4  o 123.4219 16.08764 153.7396   39.71135 153.7396   39.71135 ?          ?        123.4219 16.08764 ?        ?        ?         ?        
1 1 1 24 15 5  o 137.0183 15.11231 189.4799   41.41326 189.4799   41.41326 ?          ?        137.0183 15.11231 ?        ?        ?         ?        
1 1 1 24 15 6  f 186.9319 12.13929 351.7291   45.38440 351.7291   45.38440 ?          ?        186.9319 12.13929 ?        ?        ?         ?        
1 1 1 24 15 7  o 58.81591 20.96877 30.63447   31.20177 30.63447   31.20177 ?          ?        58.81591 20.96877 ?        ?        ?         ?        
1 1 1 24 15 8  f 261.7928 10.29325 690.4101   53.89397 690.4101   53.89397 ?          ?        261.7928 10.29325 ?        ?        ?         ?        
1 1 1 24 15 9  o 119.0168 13.82313 144.0954   32.90369 144.0954   32.90369 ?          ?        119.0168 13.82313 ?        ?        ?         ?        
1 1 1 24 15 10 o 59.81569 19.24250 36.87482   26.09603 36.87482   26.09603 ?          ?        59.81569 19.24250 ?        ?        ?         ?        
1 1 1 24 15 11 o 125.2496 11.54996 159.9800   28.93255 159.9800   28.93255 ?          ?        125.2496 11.54996 ?        ?        ?         ?        
1 1 1 24 15 12 o 113.2966 12.01741 131.6148   27.23064 131.6148   27.23064 ?          ?        113.2966 12.01741 ?        ?        ?         ?        
1 1 1 24 15 13 o 51.35848 18.32245 26.09603   23.82681 26.09603   23.82681 ?          ?        51.35848 18.32245 ?        ?        ?         ?        
1 1 1 24 15 14 o 69.82437 17.16095 55.02858   23.82681 55.02858   23.82681 ?          ?        69.82437 17.16095 ?        ?        ?         ?        
1 1 1 24 16 0  o 161.6009 17.56556 271.7391   55.59589 271.7391   55.59589 271.7391   55.59589 161.6009 17.56556 161.6009 17.56556 -0.000000 0.000000 
1 1 1 24 16 1  o 224.9216 9.836714 507.7379   44.24979 507.7379   44.24979 ?          ?        224.9216 9.836714 ?        ?        ?         ?        
1 1 1 24 16 2  o 148.3241 12.23925 221.2489   36.30752 221.2489   36.30752 ?          ?        148.3241 12.23925 ?        ?        ?         ?        
1 1 1 24 16 3  o 195.7224 10.57959 384.6328   41.41326 384.6328   41.41326 ?          ?        195.7224 10.57959 ?        ?        ?         ?        
1 1 1 24 16 4  o 134.3066 13.30545 181.5376   35.74022 181.5376   35.74022 ?          ?        134.3066 13.30545 ?        ?        ?         ?        
1 1 1 24 16 5  o 150.6974 12.42295 228.6239   37.44213 228.6239   37.44213 ?          ?        150.6974 12.42295 ?        ?        ?         ?        
1 1 1 24 16 6  o 129.0616 13.62641 167.9223   35.17290 167.9223   35.17290 ?          ?        129.0616 13.62641 ?        ?        ?         ?        
1 1 1 24 16 7  o 44.43700 19.19509 -2.836525  31.20177 -2.836525  31.20177 ?          ?        44.43700 19.19509 ?        ?        ?         ?        
1 1 1 24 16 8  o 55.96349 19.98882 27.79794   28.36525 27.79794   28.36525 ?          ?        55.96349 19.98882 ?        ?        ?         ?        
1 1 1 24 16 9  o 56.66602 21.19392 26.09603   32.33638 26.09603   32.33638 ?          ?        56.66602 21.19392 ?        ?        ?         ?        
1 1 1 24 16 10 o 115.2007 13.29613 135.5859   30.63447 135.5859   30.63447 ?          ?        115.2007 13.29613 ?        ?        ?         ?        
1 1 1 24 16 11 o 53.28043 20.02368 23.82681   28.93255 23.82681   28.93255 ?          ?        53.28043 20.02368 ?        ?        ?         ?        
1 1 1 24 16 12 o 135.9847 10.84676 188.9126   29.49986 188.9126   29.49986 ?          ?        135.9847 10.84676 ?        ?        ?         ?        
1 1 1 24 16 13 o 64.78042 18.40120 47.08631   24.96142 47.08631   24.96142 ?          ?        64.78042 18.40120 ?        ?        ?         ?        
1 1 1 24 16 14 o 83.15073 15.23659 76.01886   24.39412 76.01886   24.39412 ?          ?        83.15073 15.23659 ?        ?        ?         ?        
1 1 1 24 17 0  o 269.5302 14.18514 735.2272   76.01886 735.2272   76.01886 735.2272   76.01886 269.5302 14.18514 269.5302 14.18514 -0.000000 0.000000 
1 1 1 24 17 1  o 155.9799 11.45668 244.5084   35.74022 244.5084   35.74022 ?          ?        155.9799 11.45668 ?        ?        ?         ?        
1 1 1 24 17 2  o 108.1309 15.73940 117.9994   34.03830 117.9994   34.03830 ?          ?        108.1309 15.73940 ?        ?        ?         ?        
1 1 1 24 17 3  o 173.1778 11.13790 301.2389   38.57674 301.2389   38.57674 ?          ?        173.1778 11.13790 ?        ?        ?         ?        
1 1 1 24 17 4  o 537.1120 15.68477 2911.409   168.4896 2911.409   168.4896 ?          ?        537.1120 15.68477 ?        ?        ?         ?        
1 1 1 24 17 5  o 131.4610 12.94616 174.1626   34.03830 174.1626   34.03830 ?          ?        131.4610 12.94616 ?        ?        ?         ?        
1 1 1 24 17 6  o 184.9116 10.89133 343.7868   40.27865 343.7868   40.27865 ?          ?        184.9116 10.89133 ?        ?        ?         ?        
1 1 1 24 17 7  o 148.4413 12.61176 222.3835   37.44213 222.3835   37.44213 ?          ?        148.4413 12.61176 ?        ?        ?         ?        
1 1 1 24 17 8  o 49.33405 19.96541 11.34610   30.63447 11.34610   30.63447 ?          ?        49.33405 19.96541 ?        ?        ?         ?        
1 1 1 24 17 9  o 42.90873 18.50878 -1.701915  28.93255 -1.701915  28.93255 ?          ?        42.90873 18.50878 ?        ?        ?         ?        
1 1 1 24 17 10 o 205.2005 9.261537 425.4788   38.00943 425.4788   38.00943 ?          ?        205.2005 9.261537 ?        ?        ?         ?        
1 1 1 24 17 11 o 122.7115 12.48231 154.3070   30.63447 154.3070   30.63447 ?          ?        122.7115 12.48231 ?        ?        ?         ?        
1 1 1 24 17 12 o 184.2366 9.083697 344.9214   33.47099 344.9214   33.47099 ?          ?        184.2366 9.083697 ?        ?        ?         ?        
1 1 1 24 17 13 o 79.56255 16.58762 69.77851   25.52872 69.77851   25.52872 ?          ?        79.56255 16.58762 ?        ?        ?         ?        
1 1 1 24 17 14 o 112.8031 13.32728 134.4513   30.06716 134.4513   30.06716 ?          ?        112.8031 13.32728 ?        ?        ?         ?        
1 1 1 24 18 0  o 122.4359 15.33644 152.0377   38.00943 152.0377   38.00943 152.0377   38.00943 122.4359 15.33644 122.4359 15.33644 -0.000000 0.000000 
1 1 1 24 18 1  o 477.8714 12.82122 2297.585   122.5379 2297.585   122.5379 ?          ?        477.8714 12.82122 ?        ?        ?         ?        
1 1 1 24 18 2  o 284.5620 8.373153 811.8134   47.65361 811.8134   47.65361 ?          ?        284.5620 8.373153 ?        ?        ?         ?        
1 1 1 24 18 3  o 204.3566 10.41020 419.2384   42.54787 419.2384   42.54787 ?          ?        204.3566 10.41020 ?        ?        ?         ?        
1 1 1 24 18 4  o 360.1444 10.86899 1303.099   78.28809 1303.099   78.28809 ?          ?        360.1444 10.86899 ?        ?        ?         ?        
1 1 1 24 18 5  o 143.6884 13.42375 208.2009   38.57674 208.2009   38.57674 ?          ?        143.6884 13.42375 ?        ?        ?         ?        
1 1 1 24 18 6  o 400.8799 12.73635 1620.223   102.1149 1620.223   102.1149 ?          ?        400.8799 12.73635 ?        ?        ?         ?        
1 1 1 24 18 7  o 115.5665 15.46305 135.5859   35.74022 135.5859   35.74022 ?          ?        115.5665 15.46305 ?        ?        ?         ?        
1 1 1 24 18 8  o 147.6725 13.06158 220.6816   38.57674 220.6816   38.57674 ?          ?        147.6725 13.06158 ?        ?        ?         ?        
1 1 1 24 18 9  o 53.60092 20.34032 22.12490   30.06716 22.12490   30.06716 ?          ?        53.60092 20.34032 ?        ?        ?         ?        
1 1 1 24 18 10 f 46.76199 18.62276 13.04801   26.09603 13.04801   26.09603 ?          ?        46.76199 18.62276 ?        ?        ?         ?        
1 1 1 24 18 11 o 53.24191 18.38737 27.79794   23.82681 27.79794   23.82681 ?          ?        53.24191 18.38737 ?        ?        ?         ?        
1 1 1 24 18 12 o 83.78617 17.49741 77.15348   28.36525 77.15348   28.36525 ?          ?        83.78617 17.49741 ?        ?        ?         ?        
1 1 1 24 18 13 o 55.57012 18.83549 32.33638   24.96142 32.33638   24.96142 ?          ?        55.57012 18.83549 ?        ?        ?         ?        
1 1 1 24 18 14 o 80.66190 15.68077 72.04772   24.39412 72.04772   24.39412 ?          ?        80.66190 15.68077 ?        ?        ?         ?        
1 1 1 24 19 0  o 139.5734 18.38871 205.9317   49.92284 205.9317   49.92284 205.9317   49.92284 139.5734 18.38871 139.5734 18.38871 -0.000000 0.000000 
1 1 1 24 19 1  o 226.6744 10.01092 515.6802   45.38440 515.6802   45.38440 ?          ?        226.6744 10.01092 ?        ?        ?         ?        
1 1 1 24 19 2  o 450.1262 10.64974 2034.356   95.87454 2034.356   95.87454 ?          ?        450.1262 10.64974 ?        ?        ?         ?        
1 1 1 24 19 3  o 155.3096 10.77557 242.2392   33.47099 242.2392   33.47099 ?          ?        155.3096 10.77557 ?        ?        ?         ?        
1 1 1 24 19 4  o 218.1913 8.840120 477.6707   38.57674 477.6707   38.57674 ?          ?        218.1913 8.840120 ?        ?        ?         ?        
1 1 1 24 19 5  o 128.9990 14.29268 167.9223   36.87482 167.9223   36.87482 ?          ?        128.9990 14.29268 ?        ?        ?         ?        
1 1 1 24 19 6  o 86.92227 19.11837 79.99000   32.33638 79.99000   32.33638 ?          ?        86.92227 19.11837 ?        ?        ?         ?        
1 1 1 24 19 7  o 39.63342 18.47224 -31.76908  35.74022 -31.76908  35.74022 ?          ?        39.63342 18.47224 ?        ?        ?         ?        
1 1 1 24 19 8  o 407.5017 13.01664 1682.059   106.0860 1682.059   106.0860 ?          ?        407.5017 13.01664 ?        ?        ?         ?        
1 1 1 24 19 9  o 83.93548 19.31381 76.01886   31.76908 76.01886   31.76908 ?          ?        83.93548 19.31381 ?        ?        ?         ?        
1 1 1 24 19 10 o 123.1139 13.82391 155.4416   34.03830 155.4416   34.03830 ?          ?        123.1139 13.82391 ?        ?        ?         ?        
1 1 1 24 19 11 o 81.25489 16.96106 71.48043   26.66333 71.48043   26.66333 ?          ?        81.25489 16.96106 ?        ?        ?         ?        
1 1 1 24 19 12 o 122.6124 12.26107 155.4416   30.06716 155.4416   30.06716 ?          ?        122.6124 12.26107 ?        ?        ?         ?        
1 1 1 24 19 13 o 72.65247 17.38527 58.99971   24.96142 58.99971   24.96142 ?          ?        72.65247 17.38527 ?        ?        ?         ?        
1 1 1 24 19 14 o 111.6655 13.20903 131.6148   29.49986 131.6148   29.49986 ?          ?        111.6655 13.20903 ?        ?        ?         ?        
1 1 1 24 20 0  o 216.6765 14.13038 477.1035   60.70163 477.1035   60.70163 477.1035   60.70163 216.6765 14.13038 216.6765 14.13038 -0.000000 0.000000 
1 1 1 24 20 1  o 208.0228 8.999525 433.9883   37.44213 433.9883   37.44213 ?          ?        208.0228 8.999525 ?        ?        ?         ?        
1 1 1 24 20 2  o 209.7670 9.195142 441.3633   38.57674 441.3633   38.57674 ?          ?        209.7670 9.195142 ?        ?        ?         ?        
1 1 1 24 20 3  o 189.4626 9.581708 360.2386   36.30752 360.2386   36.30752 ?          ?        189.4626 9.581708 ?        ?        ?         ?        
1 1 1 24 20 4  o 213.0634 10.11792 456.1132   43.11518 456.1132   43.11518 ?          ?        213.0634 10.11792 ?        ?        ?         ?        
1 1 1 24 20 5  o 117.0736 15.02171 138.4224   35.17290 138.4224   35.17290 ?          ?        117.0736 15.02171 ?        ?        ?         ?        
1 1 1 24 20 6  o 91.00462 17.14779 86.79766   30.06716 86.79766   30.06716 ?          ?        91.00462 17.14779 ?        ?        ?         ?        
1 1 1 24 20 7  o 126.7222 14.10180 162.8165   35.74022 162.8165   35.74022 ?          ?        126.7222 14.10180 ?        ?        ?         ?        
1 1 1 24 20 8  o 223.5543 18.90557 515.1129   84.52843 515.1129   84.52843 ?          ?        223.5543 18.90557 ?        ?        ?         ?        
1 1 1 24 20 9  o 40.57344 18.19405 -11.91340  30.63447 -11.91340  30.63447 ?          ?        40.57344 18.19405 ?        ?        ?         ?        
1 1 1 24 20 10 o 203.1923 9.911461 418.6711   40.27865 418.6711   40.27865 ?          ?        203.1923 9.911461 ?        ?        ?         ?        
1 1 1 24 20 11 o 121.2458 11.69741 150.3358   28.36525 150.3358   28.36525 ?          ?        121.2458 11.69741 ?        ?        ?         ?        
1 1 1 24 20 12 o 104.2596 13.05906 112.8937   27.23064 112.8937   27.23064 ?          ?        104.2596 13.05906 ?        ?        ?         ?        
1 1 1 24 20 13 o 46.18258 18.77172 13.04801   27.23064 13.04801   27.23064 ?          ?        46.18258 18.77172 ?        ?        ?         ?        
1 1 1 24 20 14 o 129.6336 12.03460 175.8645   31.20177 175.8645   31.20177 ?          ?        129.6336 12.03460 ?        ?        ?         ?        
1 1 1 24 21 0  o 54.88795 28.69243 44.81709   40.84595 44.81709   40.84595 44.81709   40.84595 54.88795 28.69243 54.88795 28.69243 -0.000000 0.000000 
1 1 1 24 21 1  o 276.3196 8.006995 765.2943   44.24979 765.2943   44.24979 ?          ?        276.3196 8.006995 ?        ?        ?         ?        
1 1 1 24 21 2  o 351.6773 9.840158 1241.263   69.21120 1241.263   69.21120 ?          ?        351.6773 9.840158 ?        ?        ?         ?        
1 1 1 24 21 3  o 116.2434 13.42088 136.1532   31.20177 136.1532   31.20177 ?          ?        116.2434 13.42088 ?        ?        ?         ?        
1 1 1 24 21 4  f 204.3181 9.579189 419.2384   39.14404 419.2384   39.14404 ?          ?        204.3181 9.579189 ?        ?        ?         ?        
1 1 1 24 21 5  o 194.3964 9.484441 379.5270   36.87482 379.5270   36.87482 ?          ?        194.3964 9.484441 ?        ?        ?         ?        
1 1 1 24 21 6  o 171.7859 9.742066 296.7005   33.47099 296.7005   33.47099 ?          ?        171.7859 9.742066 ?        ?        ?         ?        
1 1 1 24 21 7  o 180.5522 10.52588 328.4696   38.00943 328.4696   38.00943 ?          ?        180.5522 10.52588 ?        ?        ?         ?        
1 1 1 24 21 8  o 157.6107 18.89689 256.4218   59.56702 256.4218   59.56702 ?          ?        157.6107 18.89689 ?        ?        ?         ?        
1 1 1 24 21 9  o 34.55278 16.32860 -33.47099  30.06716 -33.47099  30.06716 ?          ?        34.55278 16.32860 ?        ?        ?         ?        
1 1 1 24 21 10 o 72.47284 18.96093 57.29780   27.79794 57.29780   27.79794 ?          ?        72.47284 18.96093 ?        ?        ?         ?        
1 1 1 24 21 11 o 147.0002 11.96356 221.2489   35.17290 221.2489   35.17290 ?          ?        147.0002 11.96356 ?        ?        ?         ?        
1 1 1 24 21 12 o 130.6789 10.85303 175.2972   28.36525 175.2972   28.36525 ?          ?        130.6789 10.85303 ?        ?        ?         ?        
1 1 1 24 21 13 o 40.59136 17.97211 -4.538440  28.93255 -4.538440  28.93255 ?          ?        40.59136 17.97211 ?        ?        ?         ?        
1 1 1 24 21 14 o 25.97186 12.79068 -47.65361  23.82681 -47.65361  23.82681 ?          ?        25.97186 12.79068 ?        ?        ?         ?        
1 1 1 24 22 0  o 110.0784 20.59392 133.3167   40.84595 133.3167   40.84595 133.3167   40.84595 110.0784 20.59392 110.0784 20.59392 -0.000000 0.000000 
1 1 1 24 22 1  o 230.0313 8.015176 530.4301   36.87482 530.4301   36.87482 ?          ?        230.0313 8.015176 ?        ?        ?         ?        
1 1 1 24 22 2  o 554.0165 13.61901 3092.379   150.9031 3092.379   150.9031 ?          ?        554.0165 13.61901 ?        ?        ?         ?        
1 1 1 24 22 3  o 83.02088 17.93401 72.61504   28.93255 72.61504   28.93255 ?          ?        83.02088 17.93401 ?        ?        ?         ?        
1 1 1 24 22 4  f 359.2760 9.316236 1295.725   66.94199 1295.725   66.94199 ?          ?        359.2760 9.316236 ?        ?        ?         ?        
1 1 1 24 22 5  f 178.1663 9.074775 318.8254   32.33638 318.8254   32.33638 ?          ?        178.1663 9.074775 ?        ?        ?         ?        
1 1 1 24 22 6  o 122.0695 11.85085 150.3358   28.93255 150.3358   28.93255 ?          ?        122.0695 11.85085 ?        ?        ?         ?        
1 1 1 24 22 7  o 172.0470 10.88136 298.4024   37.44213 298.4024   37.44213 ?          ?        172.0470 10.88136 ?        ?        ?         ?        
1 1 1 24 22 8  o 146.3721 11.43353 216.7105   33.47099 216.7105   33.47099 ?          ?        146.3721 11.43353 ?        ?        ?         ?        
1 1 1 24 22 9  o 63.34960 21.05867 40.84595   31.20177 40.84595   31.20177 ?          ?        63.34960 21.05867 ?        ?        ?         ?        
1 1 1 24 22 10 o 48.13607 20.00951 8.509575   31.76908 8.509575   31.76908 ?          ?        48.13607 20.00951 ?        ?        ?         ?        
1 1 1 24 22 11 o 73.05166 20.76213 58.99971   31.76908 58.99971   31.76908 ?          ?        73.05166 20.76213 ?        ?        ?         ?        
1 1 1 24 22 12 f 75.32961 18.24217 63.53815   27.23064 63.53815   27.23064 ?          ?        75.32961 18.24217 ?        ?        ?         ?        
1 1 1 24 22 13 o 51.38378 19.23988 24.39412   26.66333 24.39412   26.66333 ?          ?        51.38378 19.23988 ?        ?        ?         ?        
1 1 1 24 22 14 o 117.4387 11.83509 144.6628   27.79794 144.6628   27.79794 ?          ?        117.4387 11.83509 ?        ?        ?         ?        
1 1 1 24 23 0  f 448.0743 14.78534 2023.010   132.1821 2023.010   132.1821 2023.010   132.1821 448.0743 14.78534 448.0743 14.78534 -0.000000 0.000000 
1 1 1 24 23 1  o 218.7557 8.428310 479.9400   36.87482 479.9400   36.87482 ?          ?        218.7557 8.428310 ?        ?        ?         ?        
1 1 1 24 23 2  o 169.5961 9.366101 288.7582   31.76908 288.7582   31.76908 ?          ?        169.5961 9.366101 ?        ?        ?         ?        
1 1 1 24 23 3  o 66.72000 19.82612 45.95170   28.36525 45.95170   28.36525 ?          ?        66.72000 19.82612 ?        ?        ?         ?        
1 1 1 24 23 4  f 249.2504 8.876575 623.4681   44.24979 623.4681   44.24979 ?          ?        249.2504 8.876575 ?        ?        ?         ?        
1 1 1 24 23 5  o 71.06952 18.84642 53.32666   27.23064 53.32666   27.23064 ?          ?        71.06952 18.84642 ?        ?        ?         ?        
1 1 1 24 23 6  o 113.0656 13.04546 129.3455   29.49986 129.3455   29.49986 ?          ?        113.0656 13.04546 ?        ?        ?         ?        
1 1 1 24 23 7  o 132.3495 12.00196 176.9992   31.76908 176.9992   31.76908 ?          ?        132.3495 12.00196 ?        ?        ?         ?        
1 1 1 24 23 8  o 194.6824 9.761906 382.3636   38.00943 382.3636   38.00943 ?          ?        194.6824 9.761906 ?        ?        ?         ?        
1 1 1 24 23 9  o 96.72342 17.66518 99.84568   32.90369 99.84568   32.90369 ?          ?        96.72342 17.66518 ?        ?        ?         ?        
1 1 1 24 23 10 o 173.2573 10.96907 305.7773   38.00943 305.7773   38.00943 ?          ?        173.2573 10.96907 ?        ?        ?         ?        
1 1 1 24 23 11 o 53.29076 19.15878 26.66333   26.09603 26.66333   26.09603 ?          ?        53.29076 19.15878 ?        ?        ?         ?        
1 1 1 24 23 12 o 72.21889 19.82845 59.56702   29.49986 59.56702   29.49986 ?          ?        72.21889 19.82845 ?        ?        ?         ?        
1 1 1 24 23 13 o 48.65886 19.13467 18.72106   27.23064 18.72106   27.23064 ?          ?        48.65886 19.13467 ?        ?        ?         ?        
1 1 1 24 23 14 o 94.20891 13.85009 94.73994   26.09603 94.73994   26.09603 ?          ?        94.20891 13.85009 ?        ?        ?         ?        
1 1 1 24 24 0  o 104.9162 23.22186 125.9417   42.54787 125.9417   42.54787 125.9417   42.54787 104.9162 23.22186 104.9162 23.22186 -0.000000 0.000000 
1 1 1 24 24 1  o 133.0799 11.29666 178.1338   30.06716 178.1338   30.06716 ?          ?        133.0799 11.29666 ?        ?        ?         ?        
1 1 1 24 24 2  o 196.1842 8.964255 386.3347   35.17290 386.3347   35.17290 ?          ?        196.1842 8.964255 ?        ?        ?         ?        
1 1 1 24 24 3  f 158.7766 9.111088 253.0180   28.93255 253.0180   28.93255 ?          ?        158.7766 9.111088 ?        ?        ?         ?        
1 1 1 24 24 4  o 48.78798 19.65489 11.34610   29.49986 11.34610   29.49986 ?          ?        48.78798 19.65489 ?        ?        ?         ?        
1 1 1 24 24 5  o 58.16506 19.67302 32.33638   27.23064 32.33638   27.23064 ?          ?        58.16506 19.67302 ?        ?        ?         ?        
1 1 1 24 24 6  o 102.3172 13.86143 106.0860   28.36525 106.0860   28.36525 ?          ?        102.3172 13.86143 ?        ?        ?         ?        
1 1 1 24 24 7  o 199.4213 8.249792 399.9500   32.90369 399.9500   32.90369 ?          ?        199.4213 8.249792 ?        ?        ?         ?        
1 1 1 24 24 8  o 61.96804 18.88918 40.27865   25.52872 40.27865   25.52872 ?          ?        61.96804 18.88918 ?        ?        ?         ?        
1 1 1 24 24 9  o 150.9927 9.956499 230.8931   30.06716 230.8931   30.06716 ?          ?        150.9927 9.956499 ?        ?        ?         ?        
1 1 1 24 24 10 o 215.1161 11.07626 471.9977   47.65361 471.9977   47.65361 ?          ?        215.1161 11.07626 ?        ?        ?         ?        
1 1 1 24 24 11 o 64.23897 21.05870 44.24979   31.20177 44.24979   31.20177 ?          ?        64.23897 21.05870 ?        ?        ?         ?        
1 1 1 24 24 12 o 142.0525 11.58152 208.7682   32.90369 208.7682   32.90369 ?          ?        142.0525 11.58152 ?        ?        ?         ?        
1 1 1 24 24 13 o 61.70531 18.90536 43.11518   25.52872 43.11518   25.52872 ?          ?        61.70531 18.90536 ?        ?        ?         ?        
1 1 1 24 24 14 o 76.78046 17.07187 66.94199   25.52872 66.94199   25.52872 ?          ?        76.78046 17.07187 ?        ?        ?         ?        
1 1 1 24 25 0  o 210.8549 12.05508 450.4402   50.49014 450.4402   50.49014 450.4402   50.49014 210.8549 12.05508 210.8549 12.05508 -0.000000 0.000000 
1 1 1 24 25 1  o 233.2079 8.635780 545.7473   40.27865 545.7473   40.27865 ?          ?        233.2079 8.635780 ?        ?        ?         ?        
1 1 1 24 25 2  o 513.8275 11.86882 2656.689   121.9706 2656.689   121.9706 ?          ?        513.8275 11.86882 ?        ?        ?         ?        
1 1 1 24 25 3  o 144.4925 10.79702 209.9028   31.20177 209.9028   31.20177 ?          ?        144.4925 10.79702 ?        ?        ?         ?        
1 1 1 24 25 4  o 120.4100 13.19204 146.3647   31.76908 146.3647   31.76908 ?          ?        120.4100 13.19204 ?        ?        ?         ?        
1 1 1 24 25 5  o 110.0148 13.92288 122.5379   30.63447 122.5379   30.63447 ?          ?        110.0148 13.92288 ?        ?        ?         ?        
1 1 1 24 25 6  o 48.11207 18.92965 14.18262   26.66333 14.18262   26.66333 ?          ?        48.11207 18.92965 ?        ?        ?         ?        
1 1 1 24 25 7  o 51.63854 19.25876 21.55759   26.66333 21.55759   26.66333 ?          ?        51.63854 19.25876 ?        ?        ?         ?        
1 1 1 24 25 8  o 69.58795 19.82505 52.19205   28.93255 52.19205   28.93255 ?          ?        69.58795 19.82505 ?        ?        ?         ?        
1 1 1 24 25 9  o 96.92152 13.75511 96.44185   26.66333 96.44185   26.66333 ?          ?        96.92152 13.75511 ?        ?        ?         ?        
1 1 1 24 25 10 o 65.43371 18.88891 46.51900   26.09603 46.51900   26.09603 ?          ?        65.43371 18.88891 ?        ?        ?         ?        
1 1 1 24 25 11 o 83.95580 19.31063 78.85539   31.76908 78.85539   31.76908 ?          ?        83.95580 19.31063 ?        ?        ?         ?        
1 1 1 24 25 12 o 71.33456 18.81431 57.29780   27.23064 57.29780   27.23064 ?          ?        71.33456 18.81431 ?        ?        ?         ?        
1 1 1 24 25 13 o 41.78765 17.88965 3.971134   26.66333 3.971134   26.66333 ?          ?        41.78765 17.88965 ?        ?        ?         ?        
1 1 1 24 26 0  o 105.9106 19.94751 123.6725   38.00943 123.6725   38.00943 123.6725   38.00943 105.9106 19.94751 105.9106 19.94751 -0.000000 0.000000 
1 1 1 24 26 1  f 130.7578 11.06342 171.8934   28.93255 171.8934   28.93255 ?          ?        130.7578 11.06342 ?        ?        ?         ?        
1 1 1 24 26 2  o 109.8196 12.13961 121.4033   26.66333 121.4033   26.66333 ?          ?        109.8196 12.13961 ?        ?        ?         ?        
1 1 1 24 26 3  o 111.9046 13.94123 126.5090   31.20177 126.5090   31.20177 ?          ?        111.9046 13.94123 ?        ?        ?         ?        
1 1 1 24 26 4  o 243.1456 8.166165 593.4010   39.71135 593.4010   39.71135 ?          ?        243.1456 8.166165 ?        ?        ?         ?        
1 1 1 24 26 5  o 75.74825 16.55816 60.70163   24.39412 60.70163   24.39412 ?          ?        75.74825 16.55816 ?        ?        ?         ?        
1 1 1 24 26 6  o 257.8470 7.810571 667.7179   40.27865 667.7179   40.27865 ?          ?        257.8470 7.810571 ?        ?        ?         ?        
1 1 1 24 26 7  o 199.8187 8.233386 401.6519   32.90369 401.6519   32.90369 ?          ?        199.8187 8.233386 ?        ?        ?         ?        
1 1 1 24 26 8  o 154.9311 8.604900 242.2392   26.66333 242.2392   26.66333 ?          ?        154.9311 8.604900 ?        ?        ?         ?        
1 1 1 24 26 9  o 74.57398 17.09282 60.13433   24.96142 60.13433   24.96142 ?          ?        74.57398 17.09282 ?        ?        ?         ?        
1 1 1 24 26 10 o 121.8702 10.93924 151.4704   26.66333 151.4704   26.66333 ?          ?        121.8702 10.93924 ?        ?        ?         ?        
1 1 1 24 26 11 o 40.08089 17.43698 -1.134610  26.09603 -1.134610  26.09603 ?          ?        40.08089 17.43698 ?        ?        ?         ?        
1 1 1 24 26 12 o 46.60428 18.95849 13.04801   27.79794 13.04801   27.79794 ?          ?        46.60428 18.95849 ?        ?        ?         ?        
1 1 1 24 26 13 o 74.29560 18.70620 63.53815   27.79794 63.53815   27.79794 ?          ?        74.29560 18.70620 ?        ?        ?         ?        
1 1 1 24 27 0  o 245.6487 11.60244 609.2856   56.73050 609.2856   56.73050 609.2856   56.73050 245.6487 11.60244 245.6487 11.60244 -0.000000 0.000000 
1 1 1 24 27 1  o 98.32343 14.13597 97.57646   27.79794 97.57646   27.79794 ?          ?        98.32343 14.13597 ?        ?        ?         ?        
1 1 1 24 27 2  o 124.2754 11.18401 155.4416   27.79794 155.4416   27.79794 ?          ?        124.2754 11.18401 ?        ?        ?         ?        
1 1 1 24 27 3  o 161.8893 8.935906 263.2295   28.93255 263.2295   28.93255 ?          ?        161.8893 8.935906 ?        ?        ?         ?        
1 1 1 24 27 4  o 429.3572 11.16489 1857.924   95.87454 1857.924   95.87454 ?          ?        429.3572 11.16489 ?        ?        ?         ?        
1 1 1 24 27 5  f 164.4070 8.799062 271.7391   28.93255 271.7391   28.93255 ?          ?        164.4070 8.799062 ?        ?        ?         ?        
1 1 1 24 27 6  o 223.0679 8.265383 500.3629   36.87482 500.3629   36.87482 ?          ?        223.0679 8.265383 ?        ?        ?         ?        
1 1 1 24 27 7  o 138.8177 11.44274 195.1529   31.76908 195.1529   31.76908 ?          ?        138.8177 11.44274 ?        ?        ?         ?        
1 1 1 24 27 8  o 437.4312 12.19087 1948.125   106.6533 1948.125   106.6533 ?          ?        437.4312 12.19087 ?        ?        ?         ?        
1 1 1 24 27 9  f 40.06077 16.79721 3.971134   22.69220 3.971134   22.69220 ?          ?        40.06077 16.79721 ?        ?        ?         ?        
1 1 1 24 27 10 o 125.4383 9.949677 159.9800   24.96142 159.9800   24.96142 ?          ?        125.4383 9.949677 ?        ?        ?         ?        
1 1 1 24 27 11 o 101.6128 13.95752 107.7879   28.36525 107.7879   28.36525 ?          ?        101.6128 13.95752 ?        ?        ?         ?        
1 1 1 24 27 12 o 105.0758 15.11722 117.4321   31.76908 117.4321   31.76908 ?          ?        105.0758 15.11722 ?        ?        ?         ?        
1 1 1 24 27 13 o 72.19476 17.13011 58.99971   24.39412 58.99971   24.39412 ?          ?        72.19476 17.13011 ?        ?        ?         ?        
1 1 1 24 28 0  o 280.1346 11.48369 791.3904   64.10546 791.3904   64.10546 791.3904   64.10546 280.1346 11.48369 280.1346 11.48369 -0.000000 0.000000 
1 1 1 24 28 1  o 132.6833 10.04774 176.9992   26.66333 176.9992   26.66333 ?          ?        132.6833 10.04774 ?        ?        ?         ?        
1 1 1 24 28 2  o 168.3608 9.266342 284.7871   31.20177 284.7871   31.20177 ?          ?        168.3608 9.266342 ?        ?        ?         ?        
1 1 1 24 28 3  o 189.6992 8.523068 361.3732   32.33638 361.3732   32.33638 ?          ?        189.6992 8.523068 ?        ?        ?         ?        
1 1 1 24 28 4  o 171.0954 9.118239 294.4313   31.20177 294.4313   31.20177 ?          ?        171.0954 9.118239 ?        ?        ?         ?        
1 1 1 24 28 5  o 249.6399 8.521850 626.3047   42.54787 626.3047   42.54787 ?          ?        249.6399 8.521850 ?        ?        ?         ?        
1 1 1 24 28 6  o 203.6957 8.355184 417.5364   34.03830 417.5364   34.03830 ?          ?        203.6957 8.355184 ?        ?        ?         ?        
1 1 1 24 28 7  o 69.30087 17.24028 51.62476   23.82681 51.62476   23.82681 ?          ?        69.30087 17.24028 ?        ?        ?         ?        
1 1 1 24 28 8  o 49.28196 18.05086 20.99029   23.25950 20.99029   23.25950 ?          ?        49.28196 18.05086 ?        ?        ?         ?        
1 1 1 24 28 9  o 41.36152 17.26953 5.105744   23.82681 5.105744   23.82681 ?          ?        41.36152 17.26953 ?        ?        ?         ?        
1 1 1 24 28 10 o 89.98731 12.92377 83.39383   23.25950 83.39383   23.25950 ?          ?        89.98731 12.92377 ?        ?        ?         ?        
1 1 1 24 28 11 o 100.0385 12.19237 103.8168   24.39412 103.8168   24.39412 ?          ?        100.0385 12.19237 ?        ?        ?         ?        
1 1 1 24 28 12 o 48.95091 18.38828 21.55759   24.39412 21.55759   24.39412 ?          ?        48.95091 18.38828 ?        ?        ?         ?        
1 1 1 24 28 13 o 90.51698 14.72836 87.93227   26.66333 87.93227   26.66333 ?          ?        90.51698 14.72836 ?        ?        ?         ?        
1 1 1 24 29 0  o 50.27290 27.41997 36.87482   38.57674 36.87482   38.57674 36.87482   38.57674 50.27290 27.41997 50.27290 27.41997 -0.000000 0.000000 
1 1 1 24 29 1  o 114.7546 12.11191 132.7494   27.79794 132.7494   27.79794 ?          ?        114.7546 12.11191 ?        ?        ?         ?        
1 1 1 24 29 2  o 349.3885 9.092768 1226.513   63.53815 1226.513   63.53815 ?          ?        349.3885 9.092768 ?        ?        ?         ?        
1 1 1 24 29 3  o 250.0582 8.053857 628.0066   40.27865 628.0066   40.27865 ?          ?        250.0582 8.053857 ?        ?        ?         ?        
1 1 1 24 29 4  o 70.92709 19.14827 53.32666   27.79794 53.32666   27.79794 ?          ?        70.92709 19.14827 ?        ?        ?         ?        
1 1 1 24 29 5  o 83.73634 17.50519 74.31695   28.36525 74.31695   28.36525 ?          ?        83.73634 17.50519 ?        ?        ?         ?        
1 1 1 24 29 6  o 312.1263 9.178626 981.4376   57.29780 981.4376   57.29780 ?          ?        312.1263 9.178626 ?        ?        ?         ?        
1 1 1 24 29 7  f 80.95866 15.98514 69.77851   24.96142 69.77851   24.96142 ?          ?        80.95866 15.98514 ?        ?        ?         ?        
1 1 1 24 29 8  o 147.3967 9.622080 220.1143   28.36525 220.1143   28.36525 ?          ?        147.3967 9.622080 ?        ?        ?         ?        
1 1 1 24 29 9  o 277.5630 8.175513 778.9097   45.38440 778.9097   45.38440 ?          ?        277.5630 8.175513 ?        ?        ?         ?        
1 1 1 24 29 10 o 132.1914 9.870548 178.1338   26.09603 178.1338   26.09603 ?          ?        132.1914 9.870548 ?        ?        ?         ?        
1 1 1 24 29 11 o 85.10980 13.66441 76.01886   23.25950 76.01886   23.25950 ?          ?        85.10980 13.66441 ?        ?        ?         ?        
1 1 1 24 29 12 o 131.5095 10.13742 178.1338   26.66333 178.1338   26.66333 ?          ?        131.5095 10.13742 ?        ?        ?         ?        
1 1 1 24 29 13 o 106.5716 15.43736 123.1052   32.90369 123.1052   32.90369 ?          ?        106.5716 15.43736 ?        ?        ?         ?        
1 1 1 24 30 0  o 172.7648 13.79948 305.7773   47.08631 305.7773   47.08631 305.7773   47.08631 172.7648 13.79948 172.7648 13.79948 -0.000000 0.000000 
1 1 1 24 30 1  o 177.3316 8.957534 315.9889   31.76908 315.9889   31.76908 ?          ?        177.3316 8.957534 ?        ?        ?         ?        
1 1 1 24 30 2  o 365.9856 9.067935 1346.782   66.37468 1346.782   66.37468 ?          ?        365.9856 9.067935 ?        ?        ?         ?        
1 1 1 24 30 3  o 84.11987 16.08569 74.31695   26.09603 74.31695   26.09603 ?          ?        84.11987 16.08569 ?        ?        ?         ?        
1 1 1 24 30 4  o 83.81878 17.49231 74.31695   28.36525 74.31695   28.36525 ?          ?        83.81878 17.49231 ?        ?        ?         ?        
1 1 1 24 30 5  o 107.4310 11.88145 116.8648   25.52872 116.8648   25.52872 ?          ?        107.4310 11.88145 ?        ?        ?         ?        
1 1 1 24 30 6  o 49.44906 18.42523 19.85567   24.39412 19.85567   24.39412 ?          ?        49.44906 18.42523 ?        ?        ?         ?        
1 1 1 24 30 7  o 86.79726 14.05235 77.15348   24.39412 77.15348   24.39412 ?          ?        86.79726 14.05235 ?        ?        ?         ?        
1 1 1 24 30 8  o 165.8383 8.552077 277.9794   28.36525 277.9794   28.36525 ?          ?        165.8383 8.552077 ?        ?        ?         ?        
1 1 1 24 30 9  o 74.73831 15.68176 60.13433   22.69220 60.13433   22.69220 ?          ?        74.73831 15.68176 ?        ?        ?         ?        
1 1 1 24 30 10 o 115.7477 9.557382 136.7205   22.12490 136.7205   22.12490 ?          ?        115.7477 9.557382 ?        ?        ?         ?        
1 1 1 24 30 11 o 58.85973 17.78250 38.00943   22.69220 38.00943   22.69220 ?          ?        58.85973 17.78250 ?        ?        ?         ?        
1 1 1 24 30 12 o 193.6559 8.202457 382.9308   31.76908 382.9308   31.76908 ?          ?        193.6559 8.202457 ?        ?        ?         ?        
1 1 1 24 30 13 o 132.1216 10.73452 181.5376   28.36525 181.5376   28.36525 ?          ?        132.1216 10.73452 ?        ?        ?         ?        
1 1 1 24 31 0  o 55.71469 27.82754 47.08631   37.44213 47.08631   37.44213 47.08631   37.44213 55.71469 27.82754 55.71469 27.82754 -0.000000 0.000000 
1 1 1 24 31 1  o 142.5602 10.54543 204.7971   30.06716 204.7971   30.06716 ?          ?        142.5602 10.54543 ?        ?        ?         ?        
1 1 1 24 31 2  o 325.2452 8.459554 1063.130   55.02858 1063.130   55.02858 ?          ?        325.2452 8.459554 ?        ?        ?         ?        
1 1 1 24 31 3  o 436.9738 10.25624 1923.164   89.63419 1923.164   89.63419 ?          ?        436.9738 10.25624 ?        ?        ?         ?        
1 1 1 24 31 4  o 427.0646 10.22854 1838.635   87.36497 1838.635   87.36497 ?          ?        427.0646 10.22854 ?        ?        ?         ?        
1 1 1 24 31 5  o 232.5020 7.808001 543.4781   36.30752 543.4781   36.30752 ?          ?        232.5020 7.808001 ?        ?        ?         ?        
1 1 1 24 31 6  o 49.27377 18.41224 19.85567   24.39412 19.85567   24.39412 ?          ?        49.27377 18.41224 ?        ?        ?         ?        
1 1 1 24 31 7  o 39.53139 17.40807 -5.673049  26.66333 -5.673049  26.66333 ?          ?        39.53139 17.40807 ?        ?        ?         ?        
1 1 1 24 31 8  o 369.0573 9.223040 1379.686   68.07660 1379.686   68.07660 ?          ?        369.0573 9.223040 ?        ?        ?         ?        
1 1 1 24 31 9  o 197.9956 7.736148 395.9789   30.63447 395.9789   30.63447 ?          ?        197.9956 7.736148 ?        ?        ?         ?        
1 1 1 24 31 10 o 37.72895 16.43831 -1.701915  23.25950 -1.701915  23.25950 ?          ?        37.72895 16.43831 ?        ?        ?         ?        
1 1 1 24 31 11 o 29.09582 13.91055 -27.79794  22.69220 -27.79794  22.69220 ?          ?        29.09582 13.91055 ?        ?        ?         ?        
1 1 1 24 31 12 o 99.98468 12.48262 104.9514   24.96142 104.9514   24.96142 ?          ?        99.98468 12.48262 ?        ?        ?         ?        
1 1 1 24 32 0  o 74.45879 26.11649 73.74965   35.17290 73.74965   35.17290 73.74965   35.17290 74.45879 26.11649 74.45879 26.11649 -0.000000 0.000000 
1 1 1 24 32 1  o 119.5057 11.39303 144.0954   27.23064 144.0954   27.23064 ?          ?        119.5057 11.39303 ?        ?        ?         ?        
1 1 1 24 32 2  o 142.8635 9.530303 205.3644   27.23064 205.3644   27.23064 ?          ?        142.8635 9.530303 ?        ?        ?         ?        
1 1 1 24 32 3  o 58.97614 19.67299 34.03830   27.23064 34.03830   27.23064 ?          ?        58.97614 19.67299 ?        ?        ?         ?        
1 1 1 24 32 4  o 196.6111 8.656253 389.1712   34.03830 389.1712   34.03830 ?          ?        196.6111 8.656253 ?        ?        ?         ?        
1 1 1 24 32 5  o 140.0733 9.720138 197.9895   27.23064 197.9895   27.23064 ?          ?        140.0733 9.720138 ?        ?        ?         ?        
1 1 1 24 32 6  o 107.8287 12.62681 118.5667   27.23064 118.5667   27.23064 ?          ?        107.8287 12.62681 ?        ?        ?         ?        
1 1 1 24 32 7  o 34.76369 15.83546 -14.18262  24.39412 -14.18262  24.39412 ?          ?        34.76369 15.83546 ?        ?        ?         ?        
1 1 1 24 32 8  o 175.0993 7.937765 309.7485   27.79794 309.7485   27.79794 ?          ?        175.0993 7.937765 ?        ?        ?         ?        
1 1 1 24 32 9  o 112.6866 13.34106 131.0475   30.06716 131.0475   30.06716 ?          ?        112.6866 13.34106 ?        ?        ?         ?        
1 1 1 24 32 10 f 92.07285 13.55525 88.49958   24.96142 88.49958   24.96142 ?          ?        92.07285 13.55525 ?        ?        ?         ?        
1 1 1 24 32 11 o 56.08747 19.04832 33.47099   25.52872 33.47099   25.52872 ?          ?        56.08747 19.04832 ?        ?        ?         ?        
1 1 1 24 32 12 o 31.89110 14.73605 -14.74993  22.12490 -14.74993  22.12490 ?          ?        31.89110 14.73605 ?        ?        ?         ?        
1 1 1 24 33 0  o 225.1355 11.27336 512.8437   50.49014 512.8437   50.49014 512.8437   50.49014 225.1355 11.27336 225.1355 11.27336 -0.000000 0.000000 
1 1 1 24 33 1  o 172.2746 8.891176 298.4024   30.63447 298.4024   30.63447 ?          ?        172.2746 8.891176 ?        ?        ?         ?        
1 1 1 24 33 2  f 228.6896 7.814133 525.3243   35.74022 525.3243   35.74022 ?          ?        228.6896 7.814133 ?        ?        ?         ?        
1 1 1 24 33 3  o 147.7444 9.791421 220.1143   28.93255 220.1143   28.93255 ?          ?        147.7444 9.791421 ?        ?        ?         ?        
1 1 1 24 33 4  o 166.5160 8.687620 279.1140   28.93255 279.1140   28.93255 ?          ?        166.5160 8.687620 ?        ?        ?         ?        
1 1 1 24 33 5  f 51.57442 18.33017 24.39412   23.82681 24.39412   23.82681 ?          ?        51.57442 18.33017 ?        ?        ?         ?        
1 1 1 24 33 6  o 119.2073 10.70770 144.0954   25.52872 144.0954   25.52872 ?          ?        119.2073 10.70770 ?        ?        ?         ?        
1 1 1 24 33 7  o 110.7338 11.01475 124.8071   24.39412 124.8071   24.39412 ?          ?        110.7338 11.01475 ?        ?        ?         ?        
1 1 1 24 33 8  o 48.34887 17.99633 19.85567   23.25950 19.85567   23.25950 ?          ?        48.34887 17.99633 ?        ?        ?         ?        
1 1 1 24 33 9  o 108.0612 13.91210 121.4033   30.06716 121.4033   30.06716 ?          ?        108.0612 13.91210 ?        ?        ?         ?        
1 1 1 24 33 10 o 116.3605 10.72590 139.5570   24.96142 139.5570   24.96142 ?          ?        116.3605 10.72590 ?        ?        ?         ?        
1 1 1 24 33 11 o 88.16377 13.51281 81.69191   23.82681 81.69191   23.82681 ?          ?        88.16377 13.51281 ?        ?        ?         ?        
1 1 1 24 33 12 o 79.39384 16.61398 70.91312   25.52872 70.91312   25.52872 ?          ?        79.39384 16.61398 ?        ?        ?         ?        
1 1 1 24 34 0  o 21.96381 16.14452 -85.66305  40.27865 -85.66305  40.27865 -85.66305  40.27865 21.96381 16.14452 21.96381 16.14452 -0.000000 0.000000 
1 1 1 24 34 1  o 101.7516 13.10217 104.9514   26.66333 104.9514   26.66333 ?          ?        101.7516 13.10217 ?        ?        ?         ?        
1 1 1 24 34 2  o 33.24166 15.70492 -31.76908  27.79794 -31.76908  27.79794 ?          ?        33.24166 15.70492 ?        ?        ?         ?        
1 1 1 24 34 3  o 152.4705 10.79018 234.8643   32.90369 234.8643   32.90369 ?          ?        152.4705 10.79018 ?        ?        ?         ?        
1 1 1 24 34 4  o 80.61101 16.74447 69.21120   26.09603 69.21120   26.09603 ?          ?        80.61101 16.74447 ?        ?        ?         ?        
1 1 1 24 34 5  f 87.38101 14.28309 78.28809   24.96142 78.28809   24.96142 ?          ?        87.38101 14.28309 ?        ?        ?         ?        
1 1 1 24 34 6  o 126.3975 10.77183 162.2492   27.23064 162.2492   27.23064 ?          ?        126.3975 10.77183 ?        ?        ?         ?        
1 1 1 24 34 7  o 32.15055 15.09810 -24.96142  24.96142 -24.96142  24.96142 ?          ?        32.15055 15.09810 ?        ?        ?         ?        
1 1 1 24 34 8  o 25.87144 12.82440 -56.73050  24.96142 -56.73050  24.96142 ?          ?        25.87144 12.82440 ?        ?        ?         ?        
1 1 1 24 34 9  o 95.25516 15.78243 95.87454   30.06716 95.87454   30.06716 ?          ?        95.25516 15.78243 ?        ?        ?         ?        
1 1 1 24 34 10 o 109.4646 11.40159 123.6725   24.96142 123.6725   24.96142 ?          ?        109.4646 11.40159 ?        ?        ?         ?        
1 1 1 24 34 11 o 45.77302 18.07549 15.88454   24.39412 15.88454   24.39412 ?          ?        45.77302 18.07549 ?        ?        ?         ?        
1 1 1 24 34 12 o 47.09072 18.36598 18.72106   24.96142 18.72106   24.96142 ?          ?        47.09072 18.36598 ?        ?        ?         ?        
1 1 1 24 35 0  o 82.26027 25.64305 86.23035   36.87482 86.23035   36.87482 86.23035   36.87482 82.26027 25.64305 82.26027 25.64305 -0.000000 0.000000 
1 1 1 24 35 1  o 163.3829 9.027828 268.9026   29.49986 268.9026   29.49986 ?          ?        163.3829 9.027828 ?        ?        ?         ?        
1 1 1 24 35 2  o 190.7476 8.030105 365.9117   30.63447 365.9117   30.63447 ?          ?        190.7476 8.030105 ?        ?        ?         ?        
1 1 1 24 35 3  o 92.72446 15.29545 87.93227   28.36525 87.93227   28.36525 ?          ?        92.72446 15.29545 ?        ?        ?         ?        
1 1 1 24 35 4  o 94.05479 14.47595 90.76879   27.23064 90.76879   27.23064 ?          ?        94.05479 14.47595 ?        ?        ?         ?        
1 1 1 24 35 5  o 95.29823 12.20353 92.47070   23.25950 92.47070   23.25950 ?          ?        95.29823 12.20353 ?        ?        ?         ?        
1 1 1 24 35 6  o 63.06615 18.82267 42.54787   25.52872 42.54787   25.52872 ?          ?        63.06615 18.82267 ?        ?        ?         ?        
1 1 1 24 35 7  o 108.3835 12.03874 120.2687   26.09603 120.2687   26.09603 ?          ?        108.3835 12.03874 ?        ?        ?         ?        
1 1 1 24 35 8  o 35.74427 16.03667 -9.076880  23.82681 -9.076880  23.82681 ?          ?        35.74427 16.03667 ?        ?        ?         ?        
1 1 1 24 35 9  o 103.8028 12.84326 111.7591   26.66333 111.7591   26.66333 ?          ?        103.8028 12.84326 ?        ?        ?         ?        
1 1 1 24 35 10 o 104.8299 11.90568 114.0283   24.96142 114.0283   24.96142 ?          ?        104.8299 11.90568 ?        ?        ?         ?        
1 1 1 24 35 11 o 46.51466 17.98422 18.15376   23.82681 18.15376   23.82681 ?          ?        46.51466 17.98422 ?        ?        ?         ?        
1 1 1 24 35 12 o 37.96666 16.83677 -3.971134  25.52872 -3.971134  25.52872 ?          ?        37.96666 16.83677 ?        ?        ?         ?        
1 1 1 24 36 0  o 143.9198 13.21699 213.8740   37.44213 213.8740   37.44213 213.8740   37.44213 143.9198 13.21699 143.9198 13.21699 -0.000000 0.000000 
1 1 1 24 36 1  o 92.41196 13.50551 86.79766   24.96142 86.79766   24.96142 ?          ?        92.41196 13.50551 ?        ?        ?         ?        
1 1 1 24 36 2  o 101.0479 12.91270 103.8168   26.09603 103.8168   26.09603 ?          ?        101.0479 12.91270 ?        ?        ?         ?        
1 1 1 24 36 3  o 43.92645 17.93301 8.509575   24.96142 8.509575   24.96142 ?          ?        43.92645 17.93301 ?        ?        ?         ?        
1 1 1 24 36 4  o 46.96703 18.50876 14.18262   25.52872 14.18262   25.52872 ?          ?        46.96703 18.50876 ?        ?        ?         ?        
1 1 1 24 36 5  o 172.0881 8.406321 298.9697   28.93255 298.9697   28.93255 ?          ?        172.0881 8.406321 ?        ?        ?         ?        
1 1 1 24 36 6  o 56.31261 19.04832 31.76908   25.52872 31.76908   25.52872 ?          ?        56.31261 19.04832 ?        ?        ?         ?        
1 1 1 24 36 7  o 125.5055 9.718344 159.9800   24.39412 159.9800   24.39412 ?          ?        125.5055 9.718344 ?        ?        ?         ?        
1 1 1 24 36 8  o 91.51761 14.56732 87.36497   26.66333 87.36497   26.66333 ?          ?        91.51761 14.56732 ?        ?        ?         ?        
1 1 1 24 36 9  o 69.62250 19.56429 55.02858   28.36525 55.02858   28.36525 ?          ?        69.62250 19.56429 ?        ?        ?         ?        
1 1 1 24 36 10 o 99.17664 12.58432 102.6822   24.96142 102.6822   24.96142 ?          ?        99.17664 12.58432 ?        ?        ?         ?        
1 1 1 24 36 11 o 100.5632 14.38526 107.7879   28.93255 107.7879   28.93255 ?          ?        100.5632 14.38526 ?        ?        ?         ?        
1 1 1 24 37 0  o 158.1410 13.64694 258.1238   42.54787 258.1238   42.54787 258.1238   42.54787 158.1410 13.64694 158.1410 13.64694 -0.000000 0.000000 
1 1 1 24 37 1  o 119.6603 11.14126 145.2301   26.66333 145.2301   26.66333 ?          ?        119.6603 11.14126 ?        ?        ?         ?        
1 1 1 24 37 2  o 187.1641 8.486957 353.4310   31.76908 353.4310   31.76908 ?          ?        187.1641 8.486957 ?        ?        ?         ?        
1 1 1 24 37 3  o 54.98581 19.40586 28.36525   26.66333 28.36525   26.66333 ?          ?        54.98581 19.40586 ?        ?        ?         ?        
1 1 1 24 37 4  o 162.4481 9.079781 266.6333   29.49986 266.6333   29.49986 ?          ?        162.4481 9.079781 ?        ?        ?         ?        
1 1 1 24 37 5  o 80.62585 16.40145 69.77851   25.52872 69.77851   25.52872 ?          ?        80.62585 16.40145 ?        ?        ?         ?        
1 1 1 24 37 6  o 129.3903 10.08423 170.1915   26.09603 170.1915   26.09603 ?          ?        129.3903 10.08423 ?        ?        ?         ?        
1 1 1 24 37 7  o 133.9622 9.316594 182.1049   24.96142 182.1049   24.96142 ?          ?        133.9622 9.316594 ?        ?        ?         ?        
1 1 1 24 37 8  o 58.37434 18.34174 36.87482   23.82681 36.87482   23.82681 ?          ?        58.37434 18.34174 ?        ?        ?         ?        
1 1 1 24 37 9  f 42.80219 17.50512 9.644185   23.82681 9.644185   23.82681 ?          ?        42.80219 17.50512 ?        ?        ?         ?        
1 1 1 24 37 10 o 78.43668 15.37506 67.50929   23.25950 67.50929   23.25950 ?          ?        78.43668 15.37506 ?        ?        ?         ?        
1 1 1 24 37 11 o 98.77742 13.20951 103.2495   26.09603 103.2495   26.09603 ?          ?        98.77742 13.20951 ?        ?        ?         ?        
1 1 1 24 38 0  o 64.26733 28.98783 62.40355   39.71135 62.40355   39.71135 62.40355   39.71135 64.26733 28.98783 64.26733 28.98783 -0.000000 0.000000 
1 1 1 24 38 1  o 87.13457 15.88905 80.55730   26.66333 80.55730   26.66333 ?          ?        87.13457 15.88905 ?        ?        ?         ?        
1 1 1 24 38 2  o 234.8471 8.092380 555.9589   38.00943 555.9589   38.00943 ?          ?        234.8471 8.092380 ?        ?        ?         ?        
1 1 1 24 38 3  o 105.8755 11.78810 114.0283   24.96142 114.0283   24.96142 ?          ?        105.8755 11.78810 ?        ?        ?         ?        
1 1 1 24 38 4  o 172.5309 8.384745 300.6716   28.93255 300.6716   28.93255 ?          ?        172.5309 8.384745 ?        ?        ?         ?        
1 1 1 24 38 5  o 162.6975 8.717176 267.7679   28.36525 267.7679   28.36525 ?          ?        162.6975 8.717176 ?        ?        ?         ?        
1 1 1 24 38 6  o 60.07630 18.23599 38.57674   23.82681 38.57674   23.82681 ?          ?        60.07630 18.23599 ?        ?        ?         ?        
1 1 1 24 38 7  o 33.21217 15.32582 -17.01915  23.82681 -17.01915  23.82681 ?          ?        33.21217 15.32582 ?        ?        ?         ?        
1 1 1 24 38 8  o 97.76102 13.05670 99.27837   25.52872 99.27837   25.52872 ?          ?        97.76102 13.05670 ?        ?        ?         ?        
1 1 1 24 38 9  o 96.82699 13.47560 98.14376   26.09603 98.14376   26.09603 ?          ?        96.82699 13.47560 ?        ?        ?         ?        
1 1 1 24 38 10 f 118.8553 10.73941 146.3647   25.52872 146.3647   25.52872 ?          ?        118.8553 10.73941 ?        ?        ?         ?        
1 1 1 24 38 11 o 76.88235 16.70112 66.94199   24.96142 66.94199   24.96142 ?          ?        76.88235 16.70112 ?        ?        ?         ?        
1 1 1 24 39 0  o 29.41255 19.86737 -11.34610  32.90369 -11.34610  32.90369 -11.34610  32.90369 29.41255 19.86737 29.41255 19.86737 -0.000000 0.000000 
1 1 1 24 39 1  o 98.96603 12.61110 99.84568   24.96142 99.84568   24.96142 ?          ?        98.96603 12.61110 ?        ?        ?         ?        
1 1 1 24 39 2  o 104.9177 12.70678 112.3264   26.66333 112.3264   26.66333 ?          ?        104.9177 12.70678 ?        ?        ?         ?        
1 1 1 24 39 3  o 33.57197 15.42508 -16.45185  23.82681 -16.45185  23.82681 ?          ?        33.57197 15.42508 ?        ?        ?         ?        
1 1 1 24 39 4  o 119.0182 14.06129 145.7974   33.47099 145.7974   33.47099 ?          ?        119.0182 14.06129 ?        ?        ?         ?        
1 1 1 24 39 5  o 46.77001 18.00466 16.45185   23.82681 16.45185   23.82681 ?          ?        46.77001 18.00466 ?        ?        ?         ?        
1 1 1 24 39 6  o 52.09547 19.29257 23.82681   26.66333 23.82681   26.66333 ?          ?        52.09547 19.29257 ?        ?        ?         ?        
1 1 1 24 39 7  o 105.6457 11.00826 114.5956   23.25950 114.5956   23.25950 ?          ?        105.6457 11.00826 ?        ?        ?         ?        
1 1 1 24 39 8  o 49.73952 18.26467 23.25950   23.82681 23.25950   23.82681 ?          ?        49.73952 18.26467 ?        ?        ?         ?        
1 1 1 24 39 9  o 131.7366 10.33526 178.7011   27.23064 178.7011   27.23064 ?          ?        131.7366 10.33526 ?        ?        ?         ?        
1 1 1 24 39 10 o 87.06651 14.00890 80.55730   24.39412 80.55730   24.39412 ?          ?        87.06651 14.00890 ?        ?        ?         ?        
1 1 1 24 40 0  o 99.02056 18.41823 108.9226   32.90369 108.9226   32.90369 108.9226   32.90369 99.02056 18.41823 99.02056 18.41823 -0.000000 0.000000 
1 1 1 24 40 1  o 28.89626 13.98661 -39.71135  24.96142 -39.71135  24.96142 ?          ?        28.89626 13.98661 ?        ?        ?         ?        
1 1 1 24 40 2  o 184.1563 8.471549 342.6522   31.20177 342.6522   31.20177 ?          ?        184.1563 8.471549 ?        ?        ?         ?        
1 1 1 24 40 3  o 164.6941 9.128184 274.5756   30.06716 274.5756   30.06716 ?          ?        164.6941 9.128184 ?        ?        ?         ?        
1 1 1 24 40 4  o 135.5696 9.833815 186.6433   26.66333 186.6433   26.66333 ?          ?        135.5696 9.833815 ?        ?        ?         ?        
1 1 1 24 40 5  o 77.88586 15.84645 65.24007   23.82681 65.24007   23.82681 ?          ?        77.88586 15.84645 ?        ?        ?         ?        
1 1 1 24 40 6  o 137.0101 10.76558 191.7491   29.49986 191.7491   29.49986 ?          ?        137.0101 10.76558 ?        ?        ?         ?        
1 1 1 24 40 7  o 76.94851 17.04036 65.24007   25.52872 65.24007   25.52872 ?          ?        76.94851 17.04036 ?        ?        ?         ?        
1 1 1 24 40 8  o 31.31390 14.64280 -19.28837  22.69220 -19.28837  22.69220 ?          ?        31.31390 14.64280 ?        ?        ?         ?        
1 1 1 24 40 9  o 260.4774 8.058389 690.9775   41.98057 690.9775   41.98057 ?          ?        260.4774 8.058389 ?        ?        ?         ?        
1 1 1 24 40 10 o 38.28313 16.75561 -1.134610  24.39412 -1.134610  24.39412 ?          ?        38.28313 16.75561 ?        ?        ?         ?        
1 1 1 24 41 0  o 34.13862 22.05391 3.403830   34.03830 3.403830   34.03830 3.403830   34.03830 34.13862 22.05391 34.13862 22.05391 -0.000000 0.000000 
1 1 1 24 41 1  o 100.8822 13.21508 104.3841   26.66333 104.3841   26.66333 ?          ?        100.8822 13.21508 ?        ?        ?         ?        
1 1 1 24 41 2  o 96.07968 13.28518 94.73994   25.52872 94.73994   25.52872 ?          ?        96.07968 13.28518 ?        ?        ?         ?        
1 1 1 24 41 3  o 138.5173 9.419770 194.5856   26.09603 194.5856   26.09603 ?          ?        138.5173 9.419770 ?        ?        ?         ?        
1 1 1 24 41 4  o 60.84356 18.18952 39.71135   23.82681 39.71135   23.82681 ?          ?        60.84356 18.18952 ?        ?        ?         ?        
1 1 1 24 41 5  o 96.11434 13.57551 95.30723   26.09603 95.30723   26.09603 ?          ?        96.11434 13.57551 ?        ?        ?         ?        
1 1 1 24 41 6  f 89.98964 12.92343 83.96114   23.25950 83.96114   23.25950 ?          ?        89.98964 12.92343 ?        ?        ?         ?        
1 1 1 24 41 7  o 93.17219 13.39532 90.76879   24.96142 90.76879   24.96142 ?          ?        93.17219 13.39532 ?        ?        ?         ?        
1 1 1 24 41 8  o 106.2310 11.48163 116.8648   24.39412 116.8648   24.39412 ?          ?        106.2310 11.48163 ?        ?        ?         ?        
1 1 1 24 41 9  o 188.2332 8.589445 362.5079   32.33638 362.5079   32.33638 ?          ?        188.2332 8.589445 ?        ?        ?         ?        
1 1 1 24 41 10 o 43.36055 17.85586 10.77879   24.96142 10.77879   24.96142 ?          ?        43.36055 17.85586 ?        ?        ?         ?        
1 1 1 24 42 0  o 21.72537 15.85630 -65.24007  35.74022 -65.24007  35.74022 -65.24007  35.74022 21.72537 15.85630 21.72537 15.85630 -0.000000 0.000000 
1 1 1 24 42 1  o 87.90421 16.42119 82.82652   27.79794 82.82652   27.79794 ?          ?        87.90421 16.42119 ?        ?        ?         ?        
1 1 1 24 42 2  o 46.92591 18.50363 14.74993   25.52872 14.74993   25.52872 ?          ?        46.92591 18.50363 ?        ?        ?         ?        
1 1 1 24 42 3  o 47.69480 18.10462 18.15376   23.82681 18.15376   23.82681 ?          ?        47.69480 18.10462 ?        ?        ?         ?        
1 1 1 24 42 4  o 127.4611 9.791782 165.0858   24.96142 165.0858   24.96142 ?          ?        127.4611 9.791782 ?        ?        ?         ?        
1 1 1 24 42 5  o 174.8960 8.595729 310.3158   30.06716 310.3158   30.06716 ?          ?        174.8960 8.595729 ?        ?        ?         ?        
1 1 1 24 42 6  o 86.57285 15.64505 81.12460   26.09603 81.12460   26.09603 ?          ?        86.57285 15.64505 ?        ?        ?         ?        
1 1 1 24 42 7  o 51.37460 19.07413 24.39412   26.09603 24.39412   26.09603 ?          ?        51.37460 19.07413 ?        ?        ?         ?        
1 1 1 24 42 8  o 72.26506 18.08211 58.99971   26.09603 58.99971   26.09603 ?          ?        72.26506 18.08211 ?        ?        ?         ?        
1 1 1 24 42 9  o 50.73402 17.69946 26.66333   22.12490 26.66333   22.12490 ?          ?        50.73402 17.69946 ?        ?        ?         ?        
1 1 1 24 42 10 o 50.25591 18.47824 24.96142   24.39412 24.96142   24.39412 ?          ?        50.25591 18.47824 ?        ?        ?         ?        
1 1 1 24 43 0  o 44.57088 25.83478 27.79794   36.87482 27.79794   36.87482 27.79794   36.87482 44.57088 25.83478 44.57088 25.83478 -0.000000 0.000000 
1 1 1 24 43 1  o 75.40150 17.28833 61.83624   25.52872 61.83624   25.52872 ?          ?        75.40150 17.28833 ?        ?        ?         ?        
1 1 1 24 43 2  o 79.83535 16.19749 68.64390   24.96142 68.64390   24.96142 ?          ?        79.83535 16.19749 ?        ?        ?         ?        
1 1 1 24 43 3  o 221.7935 7.801312 496.9591   34.60560 496.9591   34.60560 ?          ?        221.7935 7.801312 ?        ?        ?         ?        
1 1 1 24 43 4  o 168.7362 8.741414 288.7582   29.49986 288.7582   29.49986 ?          ?        168.7362 8.741414 ?        ?        ?         ?        
1 1 1 24 43 5  o 61.16868 19.19044 40.84595   26.09603 40.84595   26.09603 ?          ?        61.16868 19.19044 ?        ?        ?         ?        
1 1 1 24 43 6  o 77.09615 16.66103 65.80738   24.96142 65.80738   24.96142 ?          ?        77.09615 16.66103 ?        ?        ?         ?        
1 1 1 24 43 7  o 54.39511 19.19821 30.06716   26.09603 30.06716   26.09603 ?          ?        54.39511 19.19821 ?        ?        ?         ?        
1 1 1 24 43 8  o 38.03021 16.85443 -4.538440  25.52872 -4.538440  25.52872 ?          ?        38.03021 16.85443 ?        ?        ?         ?        
1 1 1 24 43 9  o 54.14032 18.80825 31.20177   24.96142 31.20177   24.96142 ?          ?        54.14032 18.80825 ?        ?        ?         ?        
1 1 1 24 44 0  o 119.1886 17.97025 152.0377   40.84595 152.0377   40.84595 152.0377   40.84595 119.1886 17.97025 119.1886 17.97025 -0.000000 0.000000 
1 1 1 24 44 1  o 114.7721 11.12148 134.4513   25.52872 134.4513   25.52872 ?          ?        114.7721 11.12148 ?        ?        ?         ?        
1 1 1 24 44 2  o 46.59098 18.46178 14.18262   25.52872 14.18262   25.52872 ?          ?        46.59098 18.46178 ?        ?        ?         ?        
1 1 1 24 44 3  o 65.33466 19.91006 46.51900   28.36525 46.51900   28.36525 ?          ?        65.33466 19.91006 ?        ?        ?         ?        
1 1 1 24 44 4  o 95.99226 12.41080 95.30723   23.82681 95.30723   23.82681 ?          ?        95.99226 12.41080 ?        ?        ?         ?        
1 1 1 24 44 5  o 197.5256 8.041762 395.9789   31.76908 395.9789   31.76908 ?          ?        197.5256 8.041762 ?        ?        ?         ?        
1 1 1 24 44 6  o 111.2502 11.98350 128.2109   26.66333 128.2109   26.66333 ?          ?        111.2502 11.98350 ?        ?        ?         ?        
1 1 1 24 44 7  o 185.4332 8.413209 350.5945   31.20177 350.5945   31.20177 ?          ?        185.4332 8.413209 ?        ?        ?         ?        
1 1 1 24 44 8  o 46.36253 17.49080 19.28837   22.12490 19.28837   22.12490 ?          ?        46.36253 17.49080 ?        ?        ?         ?        
1 1 1 24 44 9  o 86.96997 14.35060 81.12460   24.96142 81.12460   24.96142 ?          ?        86.96997 14.35060 ?        ?        ?         ?        
1 1 1 24 45 0  o 31.35449 21.41180 -16.45185  39.71135 -16.45185  39.71135 -16.45185  39.71135 31.35449 21.41180 31.35449 21.41180 -0.000000 0.000000 
1 1 1 24 45 1  o 164.7640 8.607841 275.1429   28.36525 275.1429   28.36525 ?          ?        164.7640 8.607841 ?        ?        ?         ?        
1 1 1 24 45 2  o 133.0494 10.65967 180.9703   28.36525 180.9703   28.36525 ?          ?        133.0494 10.65967 ?        ?        ?         ?        
1 1 1 24 45 3  o 79.33590 16.94369 69.21120   26.09603 69.21120   26.09603 ?          ?        79.33590 16.94369 ?        ?        ?         ?        
1 1 1 24 45 4  o 61.95769 19.38993 41.98057   26.66333 41.98057   26.66333 ?          ?        61.95769 19.38993 ?        ?        ?         ?        
1 1 1 24 45 5  o 99.92601 13.05768 104.3841   26.09603 104.3841   26.09603 ?          ?        99.92601 13.05768 ?        ?        ?         ?        
1 1 1 24 45 6  o 89.30959 13.02184 83.39383   23.25950 83.39383   23.25950 ?          ?        89.30959 13.02184 ?        ?        ?         ?        
1 1 1 24 45 7  o 163.9317 8.997608 275.1429   29.49986 275.1429   29.49986 ?          ?        163.9317 8.997608 ?        ?        ?         ?        
1 1 1 24 45 8  o 55.35136 20.79565 30.06716   31.20177 30.06716   31.20177 ?          ?        55.35136 20.79565 ?        ?        ?         ?        
1 1 1 24 46 0  o 69.23018 26.28365 68.07660   34.03830 68.07660   34.03830 68.07660   34.03830 69.23018 26.28365 69.23018 26.28365 -0.000000 0.000000 
1 1 1 24 46 1  o 145.0094 8.802436 213.8740   25.52872 213.8740   25.52872 ?          ?        145.0094 8.802436 ?        ?        ?         ?        
1 1 1 24 46 2  o 29.18138 14.10067 -36.87482  24.96142 -36.87482  24.96142 ?          ?        29.18138 14.10067 ?        ?        ?         ?        
1 1 1 24 46 3  o 160.5435 8.657450 262.0949   27.79794 262.0949   27.79794 ?          ?        160.5435 8.657450 ?        ?        ?         ?        
1 1 1 24 46 4  o 126.3287 10.77769 164.5184   27.23064 164.5184   27.23064 ?          ?        126.3287 10.77769 ?        ?        ?         ?        
1 1 1 24 46 5  o 71.92193 17.81679 57.86510   25.52872 57.86510   25.52872 ?          ?        71.92193 17.81679 ?        ?        ?         ?        
1 1 1 24 46 6  o 89.02794 14.65609 83.96114   26.09603 83.96114   26.09603 ?          ?        89.02794 14.65609 ?        ?        ?         ?        
1 1 1 24 46 7  o 81.18727 15.23576 72.61504   23.82681 72.61504   23.82681 ?          ?        81.18727 15.23576 ?        ?        ?         ?        
1 1 1 24 46 8  o 68.62732 20.64696 55.59589   30.63447 55.59589   30.63447 ?          ?        68.62732 20.64696 ?        ?        ?         ?        
1 1 1 24 47 0  o 125.8068 15.84642 164.5184   40.27865 164.5184   40.27865 164.5184   40.27865 125.8068 15.84642 125.8068 15.84642 -0.000000 0.000000 
1 1 1 24 47 1  o 74.03880 17.49605 60.70163   25.52872 60.70163   25.52872 ?          ?        74.03880 17.49605 ?        ?        ?         ?        
1 1 1 24 47 2  o 111.0825 11.23554 127.0763   24.96142 127.0763   24.96142 ?          ?        111.0825 11.23554 ?        ?        ?         ?        
1 1 1 24 47 3  o 67.60252 18.68848 51.62476   26.09603 51.62476   26.09603 ?          ?        67.60252 18.68848 ?        ?        ?         ?        
1 1 1 24 47 4  o 44.07517 17.95328 10.77879   24.96142 10.77879   24.96142 ?          ?        44.07517 17.95328 ?        ?        ?         ?        
1 1 1 24 47 5  o 102.4476 12.45940 109.4899   25.52872 109.4899   25.52872 ?          ?        102.4476 12.45940 ?        ?        ?         ?        
1 1 1 24 47 6  o 98.63074 13.51675 102.6822   26.66333 102.6822   26.66333 ?          ?        98.63074 13.51675 ?        ?        ?         ?        
1 1 1 24 47 7  o 41.78627 17.88938 3.971134   26.66333 3.971134   26.66333 ?          ?        41.78627 17.88938 ?        ?        ?         ?        
1 1 1 24 47 8  o 38.16540 16.96149 -4.538440  26.09603 -4.538440  26.09603 ?          ?        38.16540 16.96149 ?        ?        ?         ?        
1 1 1 24 48 0  o 46.46434 26.24557 33.47099   36.87482 33.47099   36.87482 33.47099   36.87482 46.46434 26.24557 46.46434 26.24557 -0.000000 0.000000 
1 1 1 24 48 1  o 53.29943 19.34566 27.79794   26.66333 27.79794   26.66333 ?          ?        53.29943 19.34566 ?        ?        ?         ?        
1 1 1 24 48 2  o 34.39709 15.72169 -13.61532  24.39412 -13.61532  24.39412 ?          ?        34.39709 15.72169 ?        ?        ?         ?        
1 1 1 24 48 3  o 91.81111 15.13866 89.06688   27.79794 89.06688   27.79794 ?          ?        91.81111 15.13866 ?        ?        ?         ?        
1 1 1 24 48 4  o 76.85468 17.70023 66.37468   26.66333 66.37468   26.66333 ?          ?        76.85468 17.70023 ?        ?        ?         ?        
1 1 1 24 48 5  f 194.0392 8.040069 383.4982   31.20177 383.4982   31.20177 ?          ?        194.0392 8.040069 ?        ?        ?         ?        
1 1 1 24 48 6  o 48.75245 18.67156 20.99029   25.52872 20.99029   25.52872 ?          ?        48.75245 18.67156 ?        ?        ?         ?        
1 1 1 24 48 7  o 88.65282 14.71810 84.52843   26.09603 84.52843   26.09603 ?          ?        88.65282 14.71810 ?        ?        ?         ?        
1 1 1 24 49 0  o 86.76961 26.61332 98.71106   40.27865 98.71106   40.27865 98.71106   40.27865 86.76961 26.61332 86.76961 26.61332 -0.000000 0.000000 
1 1 1 24 49 1  o 131.1970 11.89119 178.1338   31.20177 178.1338   31.20177 ?          ?        131.1970 11.89119 ?        ?        ?         ?        
1 1 1 24 49 2  o 103.8706 13.38104 112.8937   27.79794 112.8937   27.79794 ?          ?        103.8706 13.38104 ?        ?        ?         ?        
1 1 1 24 49 3  o 51.54988 18.90804 25.52872   25.52872 25.52872   25.52872 ?          ?        51.54988 18.90804 ?        ?        ?         ?        
1 1 1 24 49 4  o 132.1389 10.30379 179.8357   27.23064 179.8357   27.23064 ?          ?        132.1389 10.30379 ?        ?        ?         ?        
1 1 1 24 49 5  o 61.32861 19.64907 42.54787   27.23064 42.54787   27.23064 ?          ?        61.32861 19.64907 ?        ?        ?         ?        
1 1 1 24 49 6  o 68.84465 17.30943 53.89397   23.82681 53.89397   23.82681 ?          ?        68.84465 17.30943 ?        ?        ?         ?        
1 1 1 24 49 7  o 55.44400 19.04382 33.47099   25.52872 33.47099   25.52872 ?          ?        55.44400 19.04382 ?        ?        ?         ?        
1 1 1 24 50 0  o 153.9759 12.88531 247.3450   39.14404 247.3450   39.14404 247.3450   39.14404 153.9759 12.88531 153.9759 12.88531 -0.000000 0.000000 
1 1 1 24 50 1  o 98.01933 12.73291 100.4130   24.96142 100.4130   24.96142 ?          ?        98.01933 12.73291 ?        ?        ?         ?        
1 1 1 24 50 2  o 141.5520 10.01937 205.9317   28.36525 205.9317   28.36525 ?          ?        141.5520 10.01937 ?        ?        ?         ?        
1 1 1 24 50 3  o 93.59417 13.94106 92.47070   26.09603 92.47070   26.09603 ?          ?        93.59417 13.94106 ?        ?        ?         ?        
1 1 1 24 50 4  o 40.01292 17.98151 -7.942269  30.06716 -7.942269  30.06716 ?          ?        40.01292 17.98151 ?        ?        ?         ?        
1 1 1 24 50 5  o 109.6718 12.15596 125.9417   26.66333 125.9417   26.66333 ?          ?        109.6718 12.15596 ?        ?        ?         ?        
1 1 1 24 50 6  o 42.67992 17.48845 10.77879   23.82681 10.77879   23.82681 ?          ?        42.67992 17.48845 ?        ?        ?         ?        
1 1 1 24 51 0  o 27.54530 19.36262 -31.20177  38.57674 -31.20177  38.57674 -31.20177  38.57674 27.54530 19.36262 27.54530 19.36262 -0.000000 0.000000 
1 1 1 24 51 1  o 139.9027 9.529240 200.8260   26.66333 200.8260   26.66333 ?          ?        139.9027 9.529240 ?        ?        ?         ?        
1 1 1 24 51 2  o 34.75007 16.34479 -26.66333  29.49986 -26.66333  29.49986 ?          ?        34.75007 16.34479 ?        ?        ?         ?        
1 1 1 24 51 3  o 149.7559 10.03872 231.4604   30.06716 231.4604   30.06716 ?          ?        149.7559 10.03872 ?        ?        ?         ?        
1 1 1 24 51 4  o 136.3510 10.40155 192.3164   28.36525 192.3164   28.36525 ?          ?        136.3510 10.40155 ?        ?        ?         ?        
1 1 1 24 51 5  o 93.66432 15.14197 94.73994   28.36525 94.73994   28.36525 ?          ?        93.66432 15.14197 ?        ?        ?         ?        
1 1 1 24 52 0  o 156.6270 12.46956 255.8545   38.57674 255.8545   38.57674 255.8545   38.57674 156.6270 12.46956 156.6270 12.46956 -0.000000 0.000000 
1 1 1 24 52 1  o 28.64912 13.86000 -35.74022  24.39412 -35.74022  24.39412 ?          ?        28.64912 13.86000 ?        ?        ?         ?        
1 1 1 24 52 2  o 27.78611 13.65535 -48.22092  26.09603 -48.22092  26.09603 ?          ?        27.78611 13.65535 ?        ?        ?         ?        
1 1 1 24 52 3  o 118.0319 11.53529 145.2301   27.23064 145.2301   27.23064 ?          ?        118.0319 11.53529 ?        ?        ?         ?        
1 1 1 24 52 4  o 42.28648 18.76356 -3.403830  31.76908 -3.403830  31.76908 ?          ?        42.28648 18.76356 ?        ?        ?         ?        
1 1 1 24 52 5  o 43.48861 17.99848 10.21149   25.52872 10.21149   25.52872 ?          ?        43.48861 17.99848 ?        ?        ?         ?        
1 1 1 24 53 0  f 55.24300 28.27577 51.05745   39.14404 51.05745   39.14404 51.05745   39.14404 55.24300 28.27577 55.24300 28.27577 -0.000000 0.000000 
1 1 1 24 53 1  o 50.39633 19.14558 23.25950   26.66333 23.25950   26.66333 ?          ?        50.39633 19.14558 ?        ?        ?         ?        
1 1 1 24 53 2  o 65.45850 18.88659 49.35553   26.09603 49.35553   26.09603 ?          ?        65.45850 18.88659 ?        ?        ?         ?        
1 1 1 24 53 3  o 51.98862 18.73299 27.79794   24.96142 27.79794   24.96142 ?          ?        51.98862 18.73299 ?        ?        ?         ?        
1 1 1 24 53 4  o 133.8435 11.02028 186.6433   29.49986 186.6433   29.49986 ?          ?        133.8435 11.02028 ?        ?        ?         ?        
1 1 1 24 54 0  o 38.69423 23.94375 17.58645   35.74022 17.58645   35.74022 17.58645   35.74022 38.69423 23.94375 38.69423 23.94375 -0.000000 0.000000 
1 1 1 24 54 1  o 63.35564 20.46675 46.51900   29.49986 46.51900   29.49986 ?          ?        63.35564 20.46675 ?        ?        ?         ?        
1 1 1 24 54 2  o 102.5952 14.37682 112.8937   29.49986 112.8937   29.49986 ?          ?        102.5952 14.37682 ?        ?        ?         ?        
1 1 1 24 55 0  o 135.3829 16.31827 199.1240   43.11518 199.1240   43.11518 199.1240   43.11518 135.3829 16.31827 135.3829 16.31827 -0.000000 0.000000 
1 1 1 25 0  1  o 229.4223 19.30363 540.6417   87.36497 540.6417   87.36497 540.6417   87.36497 229.4223 19.30363 229.4223 19.30363 -0.000000 0.000000 
1 1 1 25 0  2  o 168.8846 35.01918 323.9312   104.3841 323.9312   104.3841 323.9312   104.3841 168.8846 35.01918 168.8846 35.01918 -0.000000 0.000000 
1 1 1 25 0  3  f 65.30266 38.82684 51.62476   86.79766 51.62476   86.79766 51.62476   86.79766 65.30266 38.82684 65.30266 38.82684 -0.000000 0.000000 
1 1 1 25 0  4  o 30.42701 21.46322 -47.08631  48.22092 -47.08631  48.22092 -47.08631  48.22092 30.42701 21.46322 30.42701 21.46322 -0.000000 0.000000 
1 1 1 25 0  5  o 43.39842 29.12317 -19.85567  68.64390 -19.85567  68.64390 -19.85567  68.64390 43.39842 29.12317 43.39842 29.12317 -0.000000 0.000000 
1 1 1 25 0  7  o 117.0246 32.54013 167.9223   65.80738 167.9223   65.80738 167.9223   65.80738 117.0246 32.54013 117.0246 32.54013 -0.000000 0.000000 
1 1 1 25 0  8  o 189.9548 21.21456 379.5270   78.85539 379.5270   78.85539 379.5270   78.85539 189.9548 21.21456 189.9548 21.21456 -0.000000 0.000000 
1 1 1 25 0  9  f 114.0464 27.87797 154.3070   55.02858 154.3070   55.02858 154.3070   55.02858 114.0464 27.87797 114.0464 27.87797 -0.000000 0.000000 
1 1 1 25 0  10 o 109.0398 25.78566 140.6916   48.78823 140.6916   48.78823 140.6916   48.78823 109.0398 25.78566 109.0398 25.78566 -0.000000 0.000000 
1 1 1 25 0  11 o 61.85350 30.35593 60.13433   44.24979 60.13433   44.24979 60.13433   44.24979 61.85350 30.35593 61.85350 30.35593 -0.000000 0.000000 
1 1 1 25 0  12 o 97.84750 28.11385 121.4033   47.65361 121.4033   47.65361 121.4033   47.65361 97.84750 28.11385 97.84750 28.11385 -0.000000 0.000000 
1 1 1 25 0  13 o 31.81593 21.25858 -5.673049  35.74022 -5.673049  35.74022 -5.673049  35.74022 31.81593 21.25858 31.81593 21.25858 -0.000000 0.000000 
1 1 1 25 0  14 o 180.8057 11.87075 337.5464   42.54787 337.5464   42.54787 337.5464   42.54787 180.8057 11.87075 180.8057 11.87075 -0.000000 0.000000 
1 1 1 25 0  15 o 45.30905 24.51439 33.47099   30.63447 33.47099   30.63447 33.47099   30.63447 45.30905 24.51439 45.30905 24.51439 -0.000000 0.000000 
1 1 1 25 1  1  o 215.1962 19.77167 469.1612   85.09574 469.1612   85.09574 ?          ?        215.1962 19.77167 ?        ?        ?         ?        
1 1 1 25 1  2  f 274.5169 17.56574 761.8906   96.44185 761.8906   96.44185 ?          ?        274.5169 17.56574 ?        ?        ?         ?        
1 1 1 25 1  3  o 155.2536 21.01081 245.0758   65.24007 245.0758   65.24007 ?          ?        155.2536 21.01081 ?        ?        ?         ?        
1 1 1 25 1  4  o 284.8225 18.12523 820.8903   103.2495 820.8903   103.2495 ?          ?        284.8225 18.12523 ?        ?        ?         ?        
1 1 1 25 1  5  o 94.44824 26.53759 94.17262   52.19205 94.17262   52.19205 ?          ?        94.44824 26.53759 ?        ?        ?         ?        
1 1 1 25 1  6  o 73.06192 26.61124 45.95170   50.49014 45.95170   50.49014 ?          ?        73.06192 26.61124 ?        ?        ?         ?        
1 1 1 25 1  7  o 208.6296 11.96447 438.5268   49.92284 438.5268   49.92284 ?          ?        208.6296 11.96447 ?        ?        ?         ?        
1 1 1 25 1  8  o 122.9221 15.92229 153.7396   39.14404 153.7396   39.14404 ?          ?        122.9221 15.92229 ?        ?        ?         ?        
1 1 1 25 1  9  o 113.9334 12.94610 131.6148   29.49986 131.6148   29.49986 ?          ?        113.9334 12.94610 ?        ?        ?         ?        
1 1 1 25 1  10 o 85.04900 20.26992 78.85539   34.03830 78.85539   34.03830 ?          ?        85.04900 20.26992 ?        ?        ?         ?        
1 1 1 25 1  11 o 136.9251 11.60090 191.1818   31.76908 191.1818   31.76908 ?          ?        136.9251 11.60090 ?        ?        ?         ?        
1 1 1 25 1  12 o 86.47220 16.66816 80.55730   27.79794 80.55730   27.79794 ?          ?        86.47220 16.66816 ?        ?        ?         ?        
1 1 1 25 1  13 o 69.33870 16.90231 53.32666   23.25950 53.32666   23.25950 ?          ?        69.33870 16.90231 ?        ?        ?         ?        
1 1 1 25 1  14 o 86.82467 13.72122 79.42269   23.82681 79.42269   23.82681 ?          ?        86.82467 13.72122 ?        ?        ?         ?        
1 1 1 25 1  15 o 31.62366 14.58707 -13.61532  21.55759 -13.61532  21.55759 ?          ?        31.62366 14.58707 ?        ?        ?         ?        
1 1 1 25 2  1  o 196.2587 20.95683 390.8731   82.25922 390.8731   82.25922 ?          ?        196.2587 20.95683 ?        ?        ?         ?        
1 1 1 25 2  2  o 144.7484 16.65681 211.6048   48.22092 211.6048   48.22092 ?          ?        144.7484 16.65681 ?        ?        ?         ?        
1 1 1 25 2  3  o 179.9212 26.64349 332.4407   95.87454 332.4407   95.87454 ?          ?        179.9212 26.64349 ?        ?        ?         ?        
1 1 1 25 2  4  o 567.1163 26.10868 3295.475   296.1332 3295.475   296.1332 ?          ?        567.1163 26.10868 ?        ?        ?         ?        
1 1 1 25 2  5  o 126.2131 23.11011 167.3549   56.16319 167.3549   56.16319 ?          ?        126.2131 23.11011 ?        ?        ?         ?        
1 1 1 25 2  6  o 111.4722 21.63794 131.0475   46.51900 131.0475   46.51900 ?          ?        111.4722 21.63794 ?        ?        ?         ?        
1 1 1 25 2  7  o 64.45415 22.16914 39.14404   34.60560 39.14404   34.60560 ?          ?        64.45415 22.16914 ?        ?        ?         ?        
1 1 1 25 2  8  f 435.1404 17.07885 1931.673   148.6339 1931.673   148.6339 ?          ?        435.1404 17.07885 ?        ?        ?         ?        
1 1 1 25 2  9  o 94.12606 17.52957 93.60532   31.76908 93.60532   31.76908 ?          ?        94.12606 17.52957 ?        ?        ?         ?        
1 1 1 25 2  10 o 43.79528 18.38345 4.538440   27.23064 4.538440   27.23064 ?          ?        43.79528 18.38345 ?        ?        ?         ?        
1 1 1 25 2  11 o 98.78289 14.07022 100.4130   27.79794 100.4130   27.79794 ?          ?        98.78289 14.07022 ?        ?        ?         ?        
1 1 1 25 2  12 o 99.80281 12.22116 102.1149   24.39412 102.1149   24.39412 ?          ?        99.80281 12.22116 ?        ?        ?         ?        
1 1 1 25 2  13 o 61.78433 19.63435 41.98057   27.23064 41.98057   27.23064 ?          ?        61.78433 19.63435 ?        ?        ?         ?        
1 1 1 25 2  14 o 197.8329 9.319689 401.0846   36.87482 401.0846   36.87482 ?          ?        197.8329 9.319689 ?        ?        ?         ?        
1 1 1 25 2  15 o 51.67010 18.72163 27.23064   24.96142 27.23064   24.96142 ?          ?        51.67010 18.72163 ?        ?        ?         ?        
1 1 1 25 3  3  o 222.7354 15.02725 500.3629   66.94199 500.3629   66.94199 ?          ?        222.7354 15.02725 ?        ?        ?         ?        
1 1 1 25 3  4  o 310.5245 14.15867 971.2261   87.93227 971.2261   87.93227 ?          ?        310.5245 14.15867 ?        ?        ?         ?        
1 1 1 25 3  5  o 113.7858 17.94861 131.0475   40.84595 131.0475   40.84595 ?          ?        113.7858 17.94861 ?        ?        ?         ?        
1 1 1 25 3  6  o 293.5363 16.42759 872.5150   96.44185 872.5150   96.44185 ?          ?        293.5363 16.42759 ?        ?        ?         ?        
1 1 1 25 3  7  o 115.3175 16.97229 135.0186   39.14404 135.0186   39.14404 ?          ?        115.3175 16.97229 ?        ?        ?         ?        
1 1 1 25 3  8  o 251.6504 12.28614 639.9200   61.83624 639.9200   61.83624 ?          ?        251.6504 12.28614 ?        ?        ?         ?        
1 1 1 25 3  9  o 142.0159 12.18371 204.2298   34.60560 204.2298   34.60560 ?          ?        142.0159 12.18371 ?        ?        ?         ?        
1 1 1 25 3  10 o 143.1520 10.30368 207.6336   29.49986 207.6336   29.49986 ?          ?        143.1520 10.30368 ?        ?        ?         ?        
1 1 1 25 3  11 o 127.0619 11.38522 164.5184   28.93255 164.5184   28.93255 ?          ?        127.0619 11.38522 ?        ?        ?         ?        
1 1 1 25 3  12 o 53.92836 19.36810 27.23064   26.66333 27.23064   26.66333 ?          ?        53.92836 19.36810 ?        ?        ?         ?        
1 1 1 25 3  13 o 67.00642 19.27966 50.49014   27.23064 50.49014   27.23064 ?          ?        67.00642 19.27966 ?        ?        ?         ?        
1 1 1 25 3  14 o 114.3212 11.41347 135.5859   26.09603 135.5859   26.09603 ?          ?        114.3212 11.41347 ?        ?        ?         ?        
1 1 1 25 3  15 o 41.87698 17.59057 7.374964   24.96142 7.374964   24.96142 ?          ?        41.87698 17.59057 ?        ?        ?         ?        
1 1 1 25 4  2  o 371.0261 25.68747 1409.753   190.6145 1409.753   190.6145 ?          ?        371.0261 25.68747 ?        ?        ?         ?        
1 1 1 25 4  3  o 132.5790 20.96708 178.7011   55.59589 178.7011   55.59589 ?          ?        132.5790 20.96708 ?        ?        ?         ?        
1 1 1 25 4  4  o 166.8384 13.77132 280.2487   45.95170 280.2487   45.95170 ?          ?        166.8384 13.77132 ?        ?        ?         ?        
1 1 1 25 4  5  o 85.83573 23.22829 77.72078   40.84595 77.72078   40.84595 ?          ?        85.83573 23.22829 ?        ?        ?         ?        
1 1 1 25 4  6  o 161.6110 12.98815 263.2295   41.98057 263.2295   41.98057 ?          ?        161.6110 12.98815 ?        ?        ?         ?        
1 1 1 25 4  7  o 113.1870 18.54478 130.4801   41.98057 130.4801   41.98057 ?          ?        113.1870 18.54478 ?        ?        ?         ?        
1 1 1 25 4  8  o 241.0533 11.06118 586.0261   53.32666 586.0261   53.32666 ?          ?        241.0533 11.06118 ?        ?        ?         ?        
1 1 1 25 4  9  o 46.92410 20.32611 -2.836525  35.17290 -2.836525  35.17290 ?          ?        46.92410 20.32611 ?        ?        ?         ?        
1 1 1 25 4  10 o 150.2310 11.13984 229.1912   33.47099 229.1912   33.47099 ?          ?        150.2310 11.13984 ?        ?        ?         ?        
1 1 1 25 4  11 o 81.94561 17.47754 72.61504   27.79794 72.61504   27.79794 ?          ?        81.94561 17.47754 ?        ?        ?         ?        
1 1 1 25 4  12 o 109.2349 11.42557 121.9706   24.96142 121.9706   24.96142 ?          ?        109.2349 11.42557 ?        ?        ?         ?        
1 1 1 25 4  13 o 44.70866 17.79793 13.61532   23.82681 13.61532   23.82681 ?          ?        44.70866 17.79793 ?        ?        ?         ?        
1 1 1 25 4  14 o 147.2258 12.71589 226.9220   37.44213 226.9220   37.44213 ?          ?        147.2258 12.71589 ?        ?        ?         ?        
1 1 1 25 4  15 o 35.64157 16.17721 -9.644185  24.96142 -9.644185  24.96142 ?          ?        35.64157 16.17721 ?        ?        ?         ?        
1 1 1 25 5  1  o 69.42672 26.24954 36.30752   49.92284 36.30752   49.92284 ?          ?        69.42672 26.24954 ?        ?        ?         ?        
1 1 1 25 5  2  o 283.1763 17.22893 810.6788   97.57646 810.6788   97.57646 ?          ?        283.1763 17.22893 ?        ?        ?         ?        
1 1 1 25 5  3  o 176.6731 16.69742 315.4216   58.99971 315.4216   58.99971 ?          ?        176.6731 16.69742 ?        ?        ?         ?        
1 1 1 25 5  4  o 294.1908 13.78775 871.3804   81.12460 871.3804   81.12460 ?          ?        294.1908 13.78775 ?        ?        ?         ?        
1 1 1 25 5  5  o 153.8634 15.11699 238.8354   46.51900 238.8354   46.51900 ?          ?        153.8634 15.11699 ?        ?        ?         ?        
1 1 1 25 5  6  o 277.3367 12.78466 774.9386   70.91312 774.9386   70.91312 ?          ?        277.3367 12.78466 ?        ?        ?         ?        
1 1 1 25 5  7  o 108.2206 17.82320 119.1340   38.57674 119.1340   38.57674 ?          ?        108.2206 17.82320 ?        ?        ?         ?        
1 1 1 25 5  8  o 126.3817 13.24203 161.6819   33.47099 161.6819   33.47099 ?          ?        126.3817 13.24203 ?        ?        ?         ?        
1 1 1 25 5  9  o 101.9847 16.96607 106.6533   34.60560 106.6533   34.60560 ?          ?        101.9847 16.96607 ?        ?        ?         ?        
1 1 1 25 5  10 o 102.6750 14.91817 108.3553   30.63447 108.3553   30.63447 ?          ?        102.6750 14.91817 ?        ?        ?         ?        
1 1 1 25 5  11 o 148.1548 10.33867 222.9509   30.63447 222.9509   30.63447 ?          ?        148.1548 10.33867 ?        ?        ?         ?        
1 1 1 25 5  12 o 156.7995 10.13048 250.1815   31.76908 250.1815   31.76908 ?          ?        156.7995 10.13048 ?        ?        ?         ?        
1 1 1 25 5  13 o 64.44144 18.98196 46.51900   26.09603 46.51900   26.09603 ?          ?        64.44144 18.98196 ?        ?        ?         ?        
1 1 1 25 5  14 o 117.8445 11.31293 144.0954   26.66333 144.0954   26.66333 ?          ?        117.8445 11.31293 ?        ?        ?         ?        
1 1 1 25 5  15 o 56.62496 18.62020 35.74022   24.39412 35.74022   24.39412 ?          ?        56.62496 18.62020 ?        ?        ?         ?        
1 1 1 25 6  1  o 212.5231 29.63012 465.7574   125.9417 465.7574   125.9417 ?          ?        212.5231 29.63012 ?        ?        ?         ?        
1 1 1 25 6  2  o 121.8835 29.77087 159.4127   72.04772 159.4127   72.04772 ?          ?        121.8835 29.77087 ?        ?        ?         ?        
1 1 1 25 6  3  o 184.2362 17.24367 343.2195   63.53815 343.2195   63.53815 ?          ?        184.2362 17.24367 ?        ?        ?         ?        
1 1 1 25 6  4  o 219.4164 14.47890 485.0457   63.53815 485.0457   63.53815 ?          ?        219.4164 14.47890 ?        ?        ?         ?        
1 1 1 25 6  5  o 151.1574 16.32588 230.8931   49.35553 230.8931   49.35553 ?          ?        151.1574 16.32588 ?        ?        ?         ?        
1 1 1 25 6  6  o 111.2046 20.66869 129.9128   44.24979 129.9128   44.24979 ?          ?        111.2046 20.66869 ?        ?        ?         ?        
1 1 1 25 6  7  o 153.0445 13.52981 236.5662   41.41326 236.5662   41.41326 ?          ?        153.0445 13.52981 ?        ?        ?         ?        
1 1 1 25 6  8  o 167.7346 10.82291 283.6525   36.30752 283.6525   36.30752 ?          ?        167.7346 10.82291 ?        ?        ?         ?        
1 1 1 25 6  9  o 104.7152 14.62752 111.7591   30.63447 111.7591   30.63447 ?          ?        104.7152 14.62752 ?        ?        ?         ?        
1 1 1 25 6  10 o 86.13397 19.54435 80.55730   32.90369 80.55730   32.90369 ?          ?        86.13397 19.54435 ?        ?        ?         ?        
1 1 1 25 6  11 o 51.13139 19.05613 22.12490   26.09603 22.12490   26.09603 ?          ?        51.13139 19.05613 ?        ?        ?         ?        
1 1 1 25 6  12 o 65.74356 19.13041 47.08631   26.66333 47.08631   26.66333 ?          ?        65.74356 19.13041 ?        ?        ?         ?        
1 1 1 25 6  13 o 38.90424 17.30674 -6.240355  27.23064 -6.240355  27.23064 ?          ?        38.90424 17.30674 ?        ?        ?         ?        
1 1 1 25 6  14 o 73.76985 17.21596 61.26894   24.96142 61.26894   24.96142 ?          ?        73.76985 17.21596 ?        ?        ?         ?        
1 1 1 25 6  15 o 40.35287 16.73153 7.942269   22.12490 7.942269   22.12490 ?          ?        40.35287 16.73153 ?        ?        ?         ?        
1 1 1 25 7  0  o 291.0588 28.57104 883.2938   163.3838 883.2938   163.3838 883.2938   163.3838 291.0588 28.57104 291.0588 28.57104 -0.000000 0.000000 
1 1 1 25 7  1  o 119.4942 32.74813 153.1723   80.55730 153.1723   80.55730 ?          ?        119.4942 32.74813 ?        ?        ?         ?        
1 1 1 25 7  2  o 293.1665 19.15743 871.3804   112.3264 871.3804   112.3264 ?          ?        293.1665 19.15743 ?        ?        ?         ?        
1 1 1 25 7  3  o 93.51604 25.63515 92.47070   49.35553 92.47070   49.35553 ?          ?        93.51604 25.63515 ?        ?        ?         ?        
1 1 1 25 7  4  o 193.8545 13.90063 378.3924   53.89397 378.3924   53.89397 ?          ?        193.8545 13.90063 ?        ?        ?         ?        
1 1 1 25 7  5  o 114.6882 15.08682 132.7494   34.60560 132.7494   34.60560 ?          ?        114.6882 15.08682 ?        ?        ?         ?        
1 1 1 25 7  6  o 117.0489 21.65594 144.0954   48.78823 144.0954   48.78823 ?          ?        117.0489 21.65594 ?        ?        ?         ?        
1 1 1 25 7  7  o 142.1673 15.56257 204.7971   44.24979 204.7971   44.24979 ?          ?        142.1673 15.56257 ?        ?        ?         ?        
1 1 1 25 7  8  o 116.5797 16.30191 138.4224   38.00943 138.4224   38.00943 ?          ?        116.5797 16.30191 ?        ?        ?         ?        
1 1 1 25 7  9  o 130.5445 11.51606 172.4607   30.06716 172.4607   30.06716 ?          ?        130.5445 11.51606 ?        ?        ?         ?        
1 1 1 25 7  10 o 87.54710 17.79084 82.25922   30.06716 82.25922   30.06716 ?          ?        87.54710 17.79084 ?        ?        ?         ?        
1 1 1 25 7  11 o 80.29234 17.44538 69.77851   27.23064 69.77851   27.23064 ?          ?        80.29234 17.44538 ?        ?        ?         ?        
1 1 1 25 7  12 f 153.4417 9.058143 238.8354   27.79794 238.8354   27.79794 ?          ?        153.4417 9.058143 ?        ?        ?         ?        
1 1 1 25 7  13 o 100.2499 14.43022 106.0860   28.93255 106.0860   28.93255 ?          ?        100.2499 14.43022 ?        ?        ?         ?        
1 1 1 25 7  14 o 151.7265 9.534445 236.5662   28.93255 236.5662   28.93255 ?          ?        151.7265 9.534445 ?        ?        ?         ?        
1 1 1 25 8  0  o 471.4571 34.04837 2303.258   317.6908 2303.258   317.6908 2303.258   317.6908 471.4571 34.04837 471.4571 34.04837 -0.000000 0.000000 
1 1 1 25 8  1  o 288.0881 25.79660 850.3901   148.6339 850.3901   148.6339 ?          ?        288.0881 25.79660 ?        ?        ?         ?        
1 1 1 25 8  2  f 445.3843 21.84468 2019.606   194.5856 2019.606   194.5856 ?          ?        445.3843 21.84468 ?        ?        ?         ?        
1 1 1 25 8  3  o 104.4942 26.54179 116.2975   55.59589 116.2975   55.59589 ?          ?        104.4942 26.54179 ?        ?        ?         ?        
1 1 1 25 8  4  o 197.6201 13.63575 393.1424   53.89397 393.1424   53.89397 ?          ?        197.6201 13.63575 ?        ?        ?         ?        
1 1 1 25 8  5  o 60.02633 20.07866 34.60560   28.36525 34.60560   28.36525 ?          ?        60.02633 20.07866 ?        ?        ?         ?        
1 1 1 25 8  6  o 125.4944 18.98635 159.9800   47.65361 159.9800   47.65361 ?          ?        125.4944 18.98635 ?        ?        ?         ?        
1 1 1 25 8  7  o 200.9441 11.57511 406.7577   46.51900 406.7577   46.51900 ?          ?        200.9441 11.57511 ?        ?        ?         ?        
1 1 1 25 8  8  o 109.2656 13.23955 120.8360   28.93255 120.8360   28.93255 ?          ?        109.2656 13.23955 ?        ?        ?         ?        
1 1 1 25 8  9  o 115.5321 13.25799 135.5859   30.63447 135.5859   30.63447 ?          ?        115.5321 13.25799 ?        ?        ?         ?        
1 1 1 25 8  10 o 45.45037 19.40158 1.701915   31.20177 1.701915   31.20177 ?          ?        45.45037 19.40158 ?        ?        ?         ?        
1 1 1 25 8  11 o 34.36546 15.92692 -20.42298  26.09603 -20.42298  26.09603 ?          ?        34.36546 15.92692 ?        ?        ?         ?        
1 1 1 25 8  12 o 88.71420 13.10923 81.12460   23.25950 81.12460   23.25950 ?          ?        88.71420 13.10923 ?        ?        ?         ?        
1 1 1 25 8  13 o 75.56146 16.93855 63.53815   24.96142 63.53815   24.96142 ?          ?        75.56146 16.93855 ?        ?        ?         ?        
1 1 1 25 8  14 o 63.30408 17.69274 45.38440   23.25950 45.38440   23.25950 ?          ?        63.30408 17.69274 ?        ?        ?         ?        
1 1 1 25 9  0  f 357.5253 30.33006 1326.926   213.8740 1326.926   213.8740 1326.926   213.8740 357.5253 30.33006 357.5253 30.33006 -0.000000 0.000000 
1 1 1 25 9  1  f 178.8565 16.96936 323.3638   60.70163 323.3638   60.70163 ?          ?        178.8565 16.96936 ?        ?        ?         ?        
1 1 1 25 9  2  o 140.5311 17.15667 199.6914   48.22092 199.6914   48.22092 ?          ?        140.5311 17.15667 ?        ?        ?         ?        
1 1 1 25 9  3  o 212.5891 14.81046 455.5459   62.97085 455.5459   62.97085 ?          ?        212.5891 14.81046 ?        ?        ?         ?        
1 1 1 25 9  4  o 380.7700 11.99361 1457.406   91.33610 1457.406   91.33610 ?          ?        380.7700 11.99361 ?        ?        ?         ?        
1 1 1 25 9  5  o 61.97388 24.27022 24.39412   43.68248 24.39412   43.68248 ?          ?        61.97388 24.27022 ?        ?        ?         ?        
1 1 1 25 9  6  o 233.4031 11.66679 548.0166   54.46128 548.0166   54.46128 ?          ?        233.4031 11.66679 ?        ?        ?         ?        
1 1 1 25 9  7  f 43.45348 19.49014 -15.31723  35.17290 -15.31723  35.17290 ?          ?        43.45348 19.49014 ?        ?        ?         ?        
1 1 1 25 9  8  o 57.83508 20.76143 29.49986   30.63447 29.49986   30.63447 ?          ?        57.83508 20.76143 ?        ?        ?         ?        
1 1 1 25 9  9  o 196.9621 10.08096 391.4404   39.71135 391.4404   39.71135 ?          ?        196.9621 10.08096 ?        ?        ?         ?        
1 1 1 25 9  10 o 99.90480 15.33183 102.6822   30.63447 102.6822   30.63447 ?          ?        99.90480 15.33183 ?        ?        ?         ?        
1 1 1 25 9  11 o 109.7216 12.15044 123.1052   26.66333 123.1052   26.66333 ?          ?        109.7216 12.15044 ?        ?        ?         ?        
1 1 1 25 9  12 o 80.11236 16.82236 69.77851   26.09603 69.77851   26.09603 ?          ?        80.11236 16.82236 ?        ?        ?         ?        
1 1 1 25 9  13 o 149.5933 9.101558 228.6239   27.23064 228.6239   27.23064 ?          ?        149.5933 9.101558 ?        ?        ?         ?        
1 1 1 25 9  14 o 126.3454 9.878250 164.5184   24.96142 164.5184   24.96142 ?          ?        126.3454 9.878250 ?        ?        ?         ?        
1 1 1 25 10 0  o 306.3114 14.70356 948.5339   89.63419 948.5339   89.63419 948.5339   89.63419 306.3114 14.70356 306.3114 14.70356 -0.000000 0.000000 
1 1 1 25 10 1  o 206.3890 16.90461 430.5845   69.77851 430.5845   69.77851 ?          ?        206.3890 16.90461 ?        ?        ?         ?        
1 1 1 25 10 2  f 178.3471 12.56457 319.9600   44.81709 319.9600   44.81709 ?          ?        178.3471 12.56457 ?        ?        ?         ?        
1 1 1 25 10 3  o 361.0608 11.54845 1309.907   83.39383 1309.907   83.39383 ?          ?        361.0608 11.54845 ?        ?        ?         ?        
1 1 1 25 10 4  o 205.6850 10.89459 424.9114   44.81709 424.9114   44.81709 ?          ?        205.6850 10.89459 ?        ?        ?         ?        
1 1 1 25 10 5  o 72.38856 25.19681 48.78823   44.81709 48.78823   44.81709 ?          ?        72.38856 25.19681 ?        ?        ?         ?        
1 1 1 25 10 6  o 164.4347 12.59262 272.3064   41.41326 272.3064   41.41326 ?          ?        164.4347 12.59262 ?        ?        ?         ?        
1 1 1 25 10 7  o 137.6462 21.84380 194.5856   60.13433 194.5856   60.13433 ?          ?        137.6462 21.84380 ?        ?        ?         ?        
1 1 1 25 10 8  o 86.59983 20.03495 79.99000   34.03830 79.99000   34.03830 ?          ?        86.59983 20.03495 ?        ?        ?         ?        
1 1 1 25 10 9  o 112.3501 13.38101 128.2109   30.06716 128.2109   30.06716 ?          ?        112.3501 13.38101 ?        ?        ?         ?        
1 1 1 25 10 10 o 159.8195 11.89136 259.8257   38.00943 259.8257   38.00943 ?          ?        159.8195 11.89136 ?        ?        ?         ?        
1 1 1 25 10 11 f 72.17091 17.77905 56.73050   25.52872 56.73050   25.52872 ?          ?        72.17091 17.77905 ?        ?        ?         ?        
1 1 1 25 10 12 o 203.4429 9.062697 420.3730   36.87482 420.3730   36.87482 ?          ?        203.4429 9.062697 ?        ?        ?         ?        
1 1 1 25 10 13 o 63.75652 18.49613 45.38440   24.96142 45.38440   24.96142 ?          ?        63.75652 18.49613 ?        ?        ?         ?        
1 1 1 25 10 14 o 98.67465 13.79819 103.2495   27.23064 103.2495   27.23064 ?          ?        98.67465 13.79819 ?        ?        ?         ?        
1 1 1 25 11 0  o 216.7143 15.87678 479.3727   68.07660 479.3727   68.07660 479.3727   68.07660 216.7143 15.87678 216.7143 15.87678 -0.000000 0.000000 
1 1 1 25 11 1  o 256.0625 12.84987 659.7757   65.80738 659.7757   65.80738 ?          ?        256.0625 12.84987 ?        ?        ?         ?        
1 1 1 25 11 2  o 184.4280 14.14971 342.6522   52.19205 342.6522   52.19205 ?          ?        184.4280 14.14971 ?        ?        ?         ?        
1 1 1 25 11 3  o 124.1569 15.30702 155.4416   38.00943 155.4416   38.00943 ?          ?        124.1569 15.30702 ?        ?        ?         ?        
1 1 1 25 11 4  o 232.6637 12.67918 544.6128   58.99971 544.6128   58.99971 ?          ?        232.6637 12.67918 ?        ?        ?         ?        
1 1 1 25 11 5  o 232.7511 14.25872 546.8820   66.37468 546.8820   66.37468 ?          ?        232.7511 14.25872 ?        ?        ?         ?        
1 1 1 25 11 6  o 132.1881 14.37702 176.4319   38.00943 176.4319   38.00943 ?          ?        132.1881 14.37702 ?        ?        ?         ?        
1 1 1 25 11 7  o 446.9715 15.23063 2025.279   136.1532 2025.279   136.1532 ?          ?        446.9715 15.23063 ?        ?        ?         ?        
1 1 1 25 11 8  o 152.7236 11.70095 235.4316   35.74022 235.4316   35.74022 ?          ?        152.7236 11.70095 ?        ?        ?         ?        
1 1 1 25 11 9  o 175.7741 9.521027 311.4504   33.47099 311.4504   33.47099 ?          ?        175.7741 9.521027 ?        ?        ?         ?        
1 1 1 25 11 10 o 98.24138 15.30270 99.27837   30.06716 99.27837   30.06716 ?          ?        98.24138 15.30270 ?        ?        ?         ?        
1 1 1 25 11 11 o 56.89121 19.04829 32.90369   25.52872 32.90369   25.52872 ?          ?        56.89121 19.04829 ?        ?        ?         ?        
1 1 1 25 11 12 o 46.23414 18.66122 12.48071   26.66333 12.48071   26.66333 ?          ?        46.23414 18.66122 ?        ?        ?         ?        
1 1 1 25 11 13 o 38.35377 17.01381 -5.673049  26.09603 -5.673049  26.09603 ?          ?        38.35377 17.01381 ?        ?        ?         ?        
1 1 1 25 11 14 o 78.31493 15.76599 68.07660   23.82681 68.07660   23.82681 ?          ?        78.31493 15.76599 ?        ?        ?         ?        
1 1 1 25 12 0  o 282.8143 18.20812 814.6500   102.1149 814.6500   102.1149 814.6500   102.1149 282.8143 18.20812 282.8143 18.20812 -0.000000 0.000000 
1 1 1 25 12 1  o 177.5243 14.69997 317.6908   52.19205 317.6908   52.19205 ?          ?        177.5243 14.69997 ?        ?        ?         ?        
1 1 1 25 12 2  o 407.2082 14.41918 1670.713   117.4321 1670.713   117.4321 ?          ?        407.2082 14.41918 ?        ?        ?         ?        
1 1 1 25 12 3  f 156.9862 15.17765 248.4796   47.65361 248.4796   47.65361 ?          ?        156.9862 15.17765 ?        ?        ?         ?        
1 1 1 25 12 4  o 123.5168 14.00846 153.7396   34.60560 153.7396   34.60560 ?          ?        123.5168 14.00846 ?        ?        ?         ?        
1 1 1 25 12 5  o 120.8462 19.48192 148.6339   47.08631 148.6339   47.08631 ?          ?        120.8462 19.48192 ?        ?        ?         ?        
1 1 1 25 12 6  o 183.1712 10.99481 337.5464   40.27865 337.5464   40.27865 ?          ?        183.1712 10.99481 ?        ?        ?         ?        
1 1 1 25 12 7  o 244.5920 9.857421 601.9106   48.22092 601.9106   48.22092 ?          ?        244.5920 9.857421 ?        ?        ?         ?        
1 1 1 25 12 8  o 156.2868 10.70820 246.2104   33.47099 246.2104   33.47099 ?          ?        156.2868 10.70820 ?        ?        ?         ?        
1 1 1 25 12 9  o 255.6413 9.653278 659.2084   49.35553 659.2084   49.35553 ?          ?        255.6413 9.653278 ?        ?        ?         ?        
1 1 1 25 12 10 o 37.58903 17.41880 -24.39412  31.20177 -24.39412  31.20177 ?          ?        37.58903 17.41880 ?        ?        ?         ?        
1 1 1 25 12 11 o 139.1635 12.43343 198.5567   34.60560 198.5567   34.60560 ?          ?        139.1635 12.43343 ?        ?        ?         ?        
1 1 1 25 12 12 o 45.54498 18.42919 11.91340   26.09603 11.91340   26.09603 ?          ?        45.54498 18.42919 ?        ?        ?         ?        
1 1 1 25 12 13 o 130.0059 10.47285 173.5953   27.23064 173.5953   27.23064 ?          ?        130.0059 10.47285 ?        ?        ?         ?        
1 1 1 25 12 14 o 119.5662 9.963853 147.4993   23.82681 147.4993   23.82681 ?          ?        119.5662 9.963853 ?        ?        ?         ?        
1 1 1 25 13 0  o 408.2509 20.11419 1691.136   163.3838 1691.136   163.3838 1691.136   163.3838 408.2509 20.11419 408.2509 20.11419 -0.000000 0.000000 
1 1 1 25 13 1  o 117.6141 18.81143 140.1243   44.24979 140.1243   44.24979 ?          ?        117.6141 18.81143 ?        ?        ?         ?        
1 1 1 25 13 2  o 116.4820 14.61096 136.7205   34.03830 136.7205   34.03830 ?          ?        116.4820 14.61096 ?        ?        ?         ?        
1 1 1 25 13 3  o 216.3478 12.84873 470.8631   55.59589 470.8631   55.59589 ?          ?        216.3478 12.84873 ?        ?        ?         ?        
1 1 1 25 13 4  o 129.6789 17.06129 170.1915   44.24979 170.1915   44.24979 ?          ?        129.6789 17.06129 ?        ?        ?         ?        
1 1 1 25 13 5  o 130.1173 13.73384 170.7588   35.74022 170.7588   35.74022 ?          ?        130.1173 13.73384 ?        ?        ?         ?        
1 1 1 25 13 6  o 207.9996 9.136901 434.5556   38.00943 434.5556   38.00943 ?          ?        207.9996 9.136901 ?        ?        ?         ?        
1 1 1 25 13 7  o 297.7931 12.28745 895.7745   73.18234 895.7745   73.18234 ?          ?        297.7931 12.28745 ?        ?        ?         ?        
1 1 1 25 13 8  o 170.4095 10.48657 292.7294   35.74022 292.7294   35.74022 ?          ?        170.4095 10.48657 ?        ?        ?         ?        
1 1 1 25 13 9  o 83.60302 18.15171 74.88425   29.49986 74.88425   29.49986 ?          ?        83.60302 18.15171 ?        ?        ?         ?        
1 1 1 25 13 10 o 34.46098 15.95422 -20.42298  26.09603 -20.42298  26.09603 ?          ?        34.46098 15.95422 ?        ?        ?         ?        
1 1 1 25 13 11 o 39.92144 17.58599 -5.105744  27.23064 -5.105744  27.23064 ?          ?        39.92144 17.58599 ?        ?        ?         ?        
1 1 1 25 13 12 o 67.68179 19.21754 51.05745   27.23064 51.05745   27.23064 ?          ?        67.68179 19.21754 ?        ?        ?         ?        
1 1 1 25 13 13 o 87.77206 15.76152 83.96114   26.66333 83.96114   26.66333 ?          ?        87.77206 15.76152 ?        ?        ?         ?        
1 1 1 25 13 14 f 79.21443 17.30717 70.91312   26.66333 70.91312   26.66333 ?          ?        79.21443 17.30717 ?        ?        ?         ?        
1 1 1 25 14 0  o 126.6270 27.34688 182.6722   60.70163 182.6722   60.70163 182.6722   60.70163 126.6270 27.34688 126.6270 27.34688 -0.000000 0.000000 
1 1 1 25 14 1  o 363.7669 10.60480 1328.628   77.15348 1328.628   77.15348 ?          ?        363.7669 10.60480 ?        ?        ?         ?        
1 1 1 25 14 2  o 290.6688 11.22241 848.6883   65.24007 848.6883   65.24007 ?          ?        290.6688 11.22241 ?        ?        ?         ?        
1 1 1 25 14 3  o 194.6383 11.36718 380.6616   44.24979 380.6616   44.24979 ?          ?        194.6383 11.36718 ?        ?        ?         ?        
1 1 1 25 14 4  o 209.8385 11.89554 443.0652   49.92284 443.0652   49.92284 ?          ?        209.8385 11.89554 ?        ?        ?         ?        
1 1 1 25 14 5  o 306.9790 12.19697 948.5339   74.88425 948.5339   74.88425 ?          ?        306.9790 12.19697 ?        ?        ?         ?        
1 1 1 25 14 6  o 125.1363 14.05383 158.2781   35.17290 158.2781   35.17290 ?          ?        125.1363 14.05383 ?        ?        ?         ?        
1 1 1 25 14 7  o 307.9862 10.95979 956.4762   67.50929 956.4762   67.50929 ?          ?        307.9862 10.95979 ?        ?        ?         ?        
1 1 1 25 14 8  o 100.9419 15.45532 103.8168   31.20177 103.8168   31.20177 ?          ?        100.9419 15.45532 ?        ?        ?         ?        
1 1 1 25 14 9  o 168.8267 9.912827 288.1909   33.47099 288.1909   33.47099 ?          ?        168.8267 9.912827 ?        ?        ?         ?        
1 1 1 25 14 10 o 41.30021 17.88723 -1.701915  27.23064 -1.701915  27.23064 ?          ?        41.30021 17.88723 ?        ?        ?         ?        
1 1 1 25 14 11 o 124.9886 12.93573 160.5473   32.33638 160.5473   32.33638 ?          ?        124.9886 12.93573 ?        ?        ?         ?        
1 1 1 25 14 12 o 71.78754 17.83715 57.29780   25.52872 57.29780   25.52872 ?          ?        71.78754 17.83715 ?        ?        ?         ?        
1 1 1 25 14 13 o 41.84854 17.69379 5.105744   25.52872 5.105744   25.52872 ?          ?        41.84854 17.69379 ?        ?        ?         ?        
1 1 1 25 14 14 o 107.8514 11.04613 120.8360   23.82681 120.8360   23.82681 ?          ?        107.8514 11.04613 ?        ?        ?         ?        
1 1 1 25 15 0  o 227.7650 11.77313 524.1898   53.32666 524.1898   53.32666 524.1898   53.32666 227.7650 11.77313 227.7650 11.77313 -0.000000 0.000000 
1 1 1 25 15 1  o 279.6494 10.54887 785.1501   58.99971 785.1501   58.99971 ?          ?        279.6494 10.54887 ?        ?        ?         ?        
1 1 1 25 15 2  o 444.7324 13.39390 1990.673   119.1340 1990.673   119.1340 ?          ?        444.7324 13.39390 ?        ?        ?         ?        
1 1 1 25 15 3  o 328.2712 11.31944 1082.985   74.31695 1082.985   74.31695 ?          ?        328.2712 11.31944 ?        ?        ?         ?        
1 1 1 25 15 4  f 248.9890 11.05040 623.4681   55.02858 623.4681   55.02858 ?          ?        248.9890 11.05040 ?        ?        ?         ?        
1 1 1 25 15 5  o 286.2586 10.89986 823.7267   62.40355 823.7267   62.40355 ?          ?        286.2586 10.89986 ?        ?        ?         ?        
1 1 1 25 15 6  o 237.1135 12.08236 566.7377   57.29780 566.7377   57.29780 ?          ?        237.1135 12.08236 ?        ?        ?         ?        
1 1 1 25 15 7  o 279.2364 10.97080 786.2847   61.26894 786.2847   61.26894 ?          ?        279.2364 10.97080 ?        ?        ?         ?        
1 1 1 25 15 8  o 197.7227 10.75948 394.8442   42.54787 394.8442   42.54787 ?          ?        197.7227 10.75948 ?        ?        ?         ?        
1 1 1 25 15 9  o 177.9586 10.67929 321.0946   38.00943 321.0946   38.00943 ?          ?        177.9586 10.67929 ?        ?        ?         ?        
1 1 1 25 15 10 o 100.0667 14.74009 103.2495   29.49986 103.2495   29.49986 ?          ?        100.0667 14.74009 ?        ?        ?         ?        
1 1 1 25 15 11 o 125.3913 12.21555 161.1146   30.63447 161.1146   30.63447 ?          ?        125.3913 12.21555 ?        ?        ?         ?        
1 1 1 25 15 12 o 44.84210 17.66839 14.18262   23.25950 14.18262   23.25950 ?          ?        44.84210 17.66839 ?        ?        ?         ?        
1 1 1 25 15 13 o 94.88367 13.75159 94.73994   26.09603 94.73994   26.09603 ?          ?        94.88367 13.75159 ?        ?        ?         ?        
1 1 1 25 15 14 o 119.1753 10.94859 147.4993   26.09603 147.4993   26.09603 ?          ?        119.1753 10.94859 ?        ?        ?         ?        
1 1 1 25 16 0  o 168.2039 16.83256 292.7294   55.59589 292.7294   55.59589 292.7294   55.59589 168.2039 16.83256 168.2039 16.83256 -0.000000 0.000000 
1 1 1 25 16 1  o 182.1898 9.497130 333.0080   34.60560 333.0080   34.60560 ?          ?        182.1898 9.497130 ?        ?        ?         ?        
1 1 1 25 16 2  o 155.8152 13.83535 244.5084   43.11518 244.5084   43.11518 ?          ?        155.8152 13.83535 ?        ?        ?         ?        
1 1 1 25 16 3  o 269.5529 10.83876 730.1215   58.43241 730.1215   58.43241 ?          ?        269.5529 10.83876 ?        ?        ?         ?        
1 1 1 25 16 4  o 212.8976 10.39227 455.5459   44.24979 455.5459   44.24979 ?          ?        212.8976 10.39227 ?        ?        ?         ?        
1 1 1 25 16 5  o 319.7142 11.00136 1027.957   70.34581 1027.957   70.34581 ?          ?        319.7142 11.00136 ?        ?        ?         ?        
1 1 1 25 16 6  o 182.1355 11.36881 334.1426   41.41326 334.1426   41.41326 ?          ?        182.1355 11.36881 ?        ?        ?         ?        
1 1 1 25 16 7  o 99.74725 18.60767 104.9514   35.74022 104.9514   35.74022 ?          ?        99.74725 18.60767 ?        ?        ?         ?        
1 1 1 25 16 8  o 213.9391 9.943920 461.7863   42.54787 461.7863   42.54787 ?          ?        213.9391 9.943920 ?        ?        ?         ?        
1 1 1 25 16 9  o 63.76629 21.24925 41.41326   31.76908 41.41326   31.76908 ?          ?        63.76629 21.24925 ?        ?        ?         ?        
1 1 1 25 16 10 o 41.85426 17.47450 5.105744   24.39412 5.105744   24.39412 ?          ?        41.85426 17.47450 ?        ?        ?         ?        
1 1 1 25 16 11 o 64.88279 19.93802 45.38440   28.36525 45.38440   28.36525 ?          ?        64.88279 19.93802 ?        ?        ?         ?        
1 1 1 25 16 12 f 78.73318 17.72116 68.64390   27.23064 68.64390   27.23064 ?          ?        78.73318 17.72116 ?        ?        ?         ?        
1 1 1 25 16 13 o 82.53868 18.65153 77.15348   30.06716 77.15348   30.06716 ?          ?        82.53868 18.65153 ?        ?        ?         ?        
1 1 1 25 16 14 o 100.9488 13.20636 107.7879   26.66333 107.7879   26.66333 ?          ?        100.9488 13.20636 ?        ?        ?         ?        
1 1 1 25 17 0  o 102.0024 28.32370 126.5090   49.92284 126.5090   49.92284 126.5090   49.92284 102.0024 28.32370 102.0024 28.32370 -0.000000 0.000000 
1 1 1 25 17 1  o 308.2467 9.110105 953.0723   56.16319 953.0723   56.16319 ?          ?        308.2467 9.110105 ?        ?        ?         ?        
1 1 1 25 17 2  o 134.1590 11.84009 180.9703   31.76908 180.9703   31.76908 ?          ?        134.1590 11.84009 ?        ?        ?         ?        
1 1 1 25 17 3  o 382.7668 11.18998 1473.291   85.66305 1473.291   85.66305 ?          ?        382.7668 11.18998 ?        ?        ?         ?        
1 1 1 25 17 4  o 154.1846 12.50992 239.4027   38.57674 239.4027   38.57674 ?          ?        154.1846 12.50992 ?        ?        ?         ?        
1 1 1 25 17 5  o 224.2391 10.11965 505.4687   45.38440 505.4687   45.38440 ?          ?        224.2391 10.11965 ?        ?        ?         ?        
1 1 1 25 17 6  o 107.9726 16.81330 118.5667   36.30752 118.5667   36.30752 ?          ?        107.9726 16.81330 ?        ?        ?         ?        
1 1 1 25 17 7  o 158.2418 12.36843 253.0180   39.14404 253.0180   39.14404 ?          ?        158.2418 12.36843 ?        ?        ?         ?        
1 1 1 25 17 8  o 123.5434 12.85746 154.8743   31.76908 154.8743   31.76908 ?          ?        123.5434 12.85746 ?        ?        ?         ?        
1 1 1 25 17 9  o 67.30825 20.49611 48.22092   30.06716 48.22092   30.06716 ?          ?        67.30825 20.49611 ?        ?        ?         ?        
1 1 1 25 17 10 o 78.21819 17.80161 66.37468   27.23064 66.37468   27.23064 ?          ?        78.21819 17.80161 ?        ?        ?         ?        
1 1 1 25 17 11 o 112.6690 13.84665 131.0475   31.20177 131.0475   31.20177 ?          ?        112.6690 13.84665 ?        ?        ?         ?        
1 1 1 25 17 12 o 77.00192 17.67723 65.80738   26.66333 65.80738   26.66333 ?          ?        77.00192 17.67723 ?        ?        ?         ?        
1 1 1 25 17 13 o 43.25206 18.38322 5.105744   27.79794 5.105744   27.79794 ?          ?        43.25206 18.38322 ?        ?        ?         ?        
1 1 1 25 17 14 o 39.70815 16.73005 5.673049   22.69220 5.673049   22.69220 ?          ?        39.70815 16.73005 ?        ?        ?         ?        
1 1 1 25 18 0  o 59.09955 32.11469 51.05745   52.75936 51.05745   52.75936 51.05745   52.75936 59.09955 32.11469 59.09955 32.11469 -0.000000 0.000000 
1 1 1 25 18 1  o 414.0450 11.71481 1723.472   97.00916 1723.472   97.00916 ?          ?        414.0450 11.71481 ?        ?        ?         ?        
1 1 1 25 18 2  o 255.5846 8.545602 655.2372   43.68248 655.2372   43.68248 ?          ?        255.5846 8.545602 ?        ?        ?         ?        
1 1 1 25 18 3  o 224.5139 10.35994 506.6033   46.51900 506.6033   46.51900 ?          ?        224.5139 10.35994 ?        ?        ?         ?        
1 1 1 25 18 4  o 152.8110 11.50863 234.8643   35.17290 234.8643   35.17290 ?          ?        152.8110 11.50863 ?        ?        ?         ?        
1 1 1 25 18 5  o 202.9299 10.20384 414.1326   41.41326 414.1326   41.41326 ?          ?        202.9299 10.20384 ?        ?        ?         ?        
1 1 1 25 18 6  o 86.17091 21.18730 79.42269   36.30752 79.42269   36.30752 ?          ?        86.17091 21.18730 ?        ?        ?         ?        
1 1 1 25 18 7  o 106.5768 16.50120 115.7302   35.17290 115.7302   35.17290 ?          ?        106.5768 16.50120 ?        ?        ?         ?        
1 1 1 25 18 8  o 67.72791 21.15904 47.65361   31.76908 47.65361   31.76908 ?          ?        67.72791 21.15904 ?        ?        ?         ?        
1 1 1 25 18 9  o 81.35558 19.98999 72.04772   32.33638 72.04772   32.33638 ?          ?        81.35558 19.98999 ?        ?        ?         ?        
1 1 1 25 18 10 o 73.02654 20.76441 58.43241   31.76908 58.43241   31.76908 ?          ?        73.02654 20.76441 ?        ?        ?         ?        
1 1 1 25 18 11 f 148.8100 9.911921 225.2201   29.49986 225.2201   29.49986 ?          ?        148.8100 9.911921 ?        ?        ?         ?        
1 1 1 25 18 12 o 124.3791 11.63080 159.9800   28.93255 159.9800   28.93255 ?          ?        124.3791 11.63080 ?        ?        ?         ?        
1 1 1 25 18 13 o 57.07220 19.04828 35.17290   25.52872 35.17290   25.52872 ?          ?        57.07220 19.04828 ?        ?        ?         ?        
1 1 1 25 18 14 o 74.96465 18.60479 65.24007   27.79794 65.24007   27.79794 ?          ?        74.96465 18.60479 ?        ?        ?         ?        
1 1 1 25 19 0  o 138.7755 18.72187 204.2298   50.49014 204.2298   50.49014 204.2298   50.49014 138.7755 18.72187 138.7755 18.72187 -0.000000 0.000000 
1 1 1 25 19 1  o 168.0465 10.29644 283.6525   34.60560 283.6525   34.60560 ?          ?        168.0465 10.29644 ?        ?        ?         ?        
1 1 1 25 19 2  o 116.8677 14.32003 137.8551   33.47099 137.8551   33.47099 ?          ?        116.8677 14.32003 ?        ?        ?         ?        
1 1 1 25 19 3  o 116.1510 14.16419 136.1532   32.90369 136.1532   32.90369 ?          ?        116.1510 14.16419 ?        ?        ?         ?        
1 1 1 25 19 4  o 206.7553 10.01504 429.4498   41.41326 429.4498   41.41326 ?          ?        206.7553 10.01504 ?        ?        ?         ?        
1 1 1 25 19 5  o 396.3456 11.45072 1582.213   90.76879 1582.213   90.76879 ?          ?        396.3456 11.45072 ?        ?        ?         ?        
1 1 1 25 19 6  o 73.59169 20.95662 57.29780   32.33638 57.29780   32.33638 ?          ?        73.59169 20.95662 ?        ?        ?         ?        
1 1 1 25 19 7  o 73.32905 21.46493 56.73050   33.47099 56.73050   33.47099 ?          ?        73.32905 21.46493 ?        ?        ?         ?        
1 1 1 25 19 8  o 112.1262 14.41964 128.2109   32.33638 128.2109   32.33638 ?          ?        112.1262 14.41964 ?        ?        ?         ?        
1 1 1 25 19 9  o 82.93313 18.58988 74.31695   30.06716 74.31695   30.06716 ?          ?        82.93313 18.58988 ?        ?        ?         ?        
1 1 1 25 19 10 o 45.39925 19.29717 3.403830   30.63447 3.403830   30.63447 ?          ?        45.39925 19.29717 ?        ?        ?         ?        
1 1 1 25 19 11 o 52.64682 19.13581 25.52872   26.09603 25.52872   26.09603 ?          ?        52.64682 19.13581 ?        ?        ?         ?        
1 1 1 25 19 12 o 90.39018 16.28474 89.63419   28.36525 89.63419   28.36525 ?          ?        90.39018 16.28474 ?        ?        ?         ?        
1 1 1 25 19 13 o 122.7415 11.55487 156.5762   28.36525 156.5762   28.36525 ?          ?        122.7415 11.55487 ?        ?        ?         ?        
1 1 1 25 19 14 o 64.35732 19.97088 48.22092   28.36525 48.22092   28.36525 ?          ?        64.35732 19.97088 ?        ?        ?         ?        
1 1 1 25 20 0  o 309.9791 14.99043 972.3607   92.47070 972.3607   92.47070 972.3607   92.47070 309.9791 14.99043 309.9791 14.99043 -0.000000 0.000000 
1 1 1 25 20 1  o 537.3734 13.24903 2910.842   142.3935 2910.842   142.3935 ?          ?        537.3734 13.24903 ?        ?        ?         ?        
1 1 1 25 20 2  o 90.53995 18.49698 86.23035   32.33638 86.23035   32.33638 ?          ?        90.53995 18.49698 ?        ?        ?         ?        
1 1 1 25 20 3  f 119.8150 13.25756 144.6628   31.76908 144.6628   31.76908 ?          ?        119.8150 13.25756 ?        ?        ?         ?        
1 1 1 25 20 4  f 135.2913 11.95065 184.3741   32.33638 184.3741   32.33638 ?          ?        135.2913 11.95065 ?        ?        ?         ?        
1 1 1 25 20 5  o 99.32074 18.95724 103.8168   36.30752 103.8168   36.30752 ?          ?        99.32074 18.95724 ?        ?        ?         ?        
1 1 1 25 20 6  o 136.2200 13.11856 187.7779   35.74022 187.7779   35.74022 ?          ?        136.2200 13.11856 ?        ?        ?         ?        
1 1 1 25 20 7  o 285.7832 10.91799 824.8613   62.40355 824.8613   62.40355 ?          ?        285.7832 10.91799 ?        ?        ?         ?        
1 1 1 25 20 8  o 41.51590 18.72519 -14.74993  32.90369 -14.74993  32.90369 ?          ?        41.51590 18.72519 ?        ?        ?         ?        
1 1 1 25 20 9  f 86.49558 17.97837 80.55730   30.06716 80.55730   30.06716 ?          ?        86.49558 17.97837 ?        ?        ?         ?        
1 1 1 25 20 10 o 68.51136 20.65398 51.05745   30.63447 51.05745   30.63447 ?          ?        68.51136 20.65398 ?        ?        ?         ?        
1 1 1 25 20 11 o 81.14278 18.26866 72.61504   28.93255 72.61504   28.93255 ?          ?        81.14278 18.26866 ?        ?        ?         ?        
1 1 1 25 20 12 o 36.54218 16.48715 -9.644185  25.52872 -9.644185  25.52872 ?          ?        36.54218 16.48715 ?        ?        ?         ?        
1 1 1 25 20 13 o 74.31980 18.08462 62.97085   26.66333 62.97085   26.66333 ?          ?        74.31980 18.08462 ?        ?        ?         ?        
1 1 1 25 20 14 o 37.13246 16.46367 -3.971134  24.39412 -3.971134  24.39412 ?          ?        37.13246 16.46367 ?        ?        ?         ?        
1 1 1 25 21 0  o 197.3758 13.93628 397.1135   54.46128 397.1135   54.46128 397.1135   54.46128 197.3758 13.93628 197.3758 13.93628 -0.000000 0.000000 
1 1 1 25 21 1  o 255.6614 8.432087 655.8046   43.11518 655.8046   43.11518 ?          ?        255.6614 8.432087 ?        ?        ?         ?        
1 1 1 25 21 2  o 162.1093 11.54842 264.3641   37.44213 264.3641   37.44213 ?          ?        162.1093 11.54842 ?        ?        ?         ?        
1 1 1 25 21 3  o 59.21584 20.98305 31.20177   31.20177 31.20177   31.20177 ?          ?        59.21584 20.98305 ?        ?        ?         ?        
1 1 1 25 21 4  o 84.12257 18.69871 74.88425   30.63447 74.88425   30.63447 ?          ?        84.12257 18.69871 ?        ?        ?         ?        
1 1 1 25 21 5  o 41.71604 18.77519 -15.31723  32.90369 -15.31723  32.90369 ?          ?        41.71604 18.77519 ?        ?        ?         ?        
1 1 1 25 21 6  o 118.1121 15.61010 141.8262   36.87482 141.8262   36.87482 ?          ?        118.1121 15.61010 ?        ?        ?         ?        
1 1 1 25 21 7  o 93.84539 19.39913 94.17262   35.17290 94.17262   35.17290 ?          ?        93.84539 19.39913 ?        ?        ?         ?        
1 1 1 25 21 8  o 34.69533 16.62657 -43.68248  32.90369 -43.68248  32.90369 ?          ?        34.69533 16.62657 ?        ?        ?         ?        
1 1 1 25 21 9  o 141.0293 11.46442 202.5279   32.33638 202.5279   32.33638 ?          ?        141.0293 11.46442 ?        ?        ?         ?        
1 1 1 25 21 10 o 103.3865 14.54114 110.6245   30.06716 110.6245   30.06716 ?          ?        103.3865 14.54114 ?        ?        ?         ?        
1 1 1 25 21 11 o 157.0847 10.83438 253.0180   34.03830 253.0180   34.03830 ?          ?        157.0847 10.83438 ?        ?        ?         ?        
1 1 1 25 21 12 o 115.2824 12.30250 137.8551   28.36525 137.8551   28.36525 ?          ?        115.2824 12.30250 ?        ?        ?         ?        
1 1 1 25 21 13 o 88.89478 15.88952 87.36497   27.23064 87.36497   27.23064 ?          ?        88.89478 15.88952 ?        ?        ?         ?        
1 1 1 25 22 0  o 161.3534 15.00928 268.3353   47.65361 268.3353   47.65361 268.3353   47.65361 161.3534 15.00928 161.3534 15.00928 -0.000000 0.000000 
1 1 1 25 22 1  o 284.0595 8.587677 809.5441   48.78823 809.5441   48.78823 ?          ?        284.0595 8.587677 ?        ?        ?         ?        
1 1 1 25 22 2  o 175.5197 9.050005 309.1812   31.76908 309.1812   31.76908 ?          ?        175.5197 9.050005 ?        ?        ?         ?        
1 1 1 25 22 3  o 101.5397 15.64367 104.3841   31.76908 104.3841   31.76908 ?          ?        101.5397 15.64367 ?        ?        ?         ?        
1 1 1 25 22 4  o 148.5886 11.45387 222.3835   34.03830 222.3835   34.03830 ?          ?        148.5886 11.45387 ?        ?        ?         ?        
1 1 1 25 22 5  o 258.2121 9.117761 670.5544   47.08631 670.5544   47.08631 ?          ?        258.2121 9.117761 ?        ?        ?         ?        
1 1 1 25 22 6  o 81.01347 18.59076 69.77851   29.49986 69.77851   29.49986 ?          ?        81.01347 18.59076 ?        ?        ?         ?        
1 1 1 25 22 7  o 144.4458 11.38964 211.0374   32.90369 211.0374   32.90369 ?          ?        144.4458 11.38964 ?        ?        ?         ?        
1 1 1 25 22 8  o 107.1055 26.57628 129.3455   56.73050 129.3455   56.73050 ?          ?        107.1055 26.57628 ?        ?        ?         ?        
1 1 1 25 22 9  o 46.89782 20.14957 1.134610   34.03830 1.134610   34.03830 ?          ?        46.89782 20.14957 ?        ?        ?         ?        
1 1 1 25 22 10 o 40.73303 17.85671 -3.971134  27.79794 -3.971134  27.79794 ?          ?        40.73303 17.85671 ?        ?        ?         ?        
1 1 1 25 22 11 o 34.97563 16.02654 -15.31723  25.52872 -15.31723  25.52872 ?          ?        34.97563 16.02654 ?        ?        ?         ?        
1 1 1 25 22 12 o 49.57028 19.78154 17.58645   29.49986 17.58645   29.49986 ?          ?        49.57028 19.78154 ?        ?        ?         ?        
1 1 1 25 22 13 o 81.86448 16.51748 74.88425   26.09603 74.88425   26.09603 ?          ?        81.86448 16.51748 ?        ?        ?         ?        
1 1 1 25 23 0  o 149.4195 14.88628 230.8931   43.68248 230.8931   43.68248 230.8931   43.68248 149.4195 14.88628 149.4195 14.88628 -0.000000 0.000000 
1 1 1 25 23 1  o 376.6738 9.488374 1424.503   71.48043 1424.503   71.48043 ?          ?        376.6738 9.488374 ?        ?        ?         ?        
1 1 1 25 23 2  o 33.74011 15.97894 -34.60560  28.93255 -34.60560  28.93255 ?          ?        33.74011 15.97894 ?        ?        ?         ?        
1 1 1 25 23 3  o 248.4525 8.105906 619.4970   40.27865 619.4970   40.27865 ?          ?        248.4525 8.105906 ?        ?        ?         ?        
1 1 1 25 23 4  o 91.77505 17.62795 88.49958   31.20177 88.49958   31.20177 ?          ?        91.77505 17.62795 ?        ?        ?         ?        
1 1 1 25 23 5  o 291.3117 9.347595 853.7939   54.46128 853.7939   54.46128 ?          ?        291.3117 9.347595 ?        ?        ?         ?        
1 1 1 25 23 6  f 123.2462 12.65831 153.7396   31.20177 153.7396   31.20177 ?          ?        123.2462 12.65831 ?        ?        ?         ?        
1 1 1 25 23 7  o 285.4616 9.439794 821.4576   53.89397 821.4576   53.89397 ?          ?        285.4616 9.439794 ?        ?        ?         ?        
1 1 1 25 23 8  o 55.28767 23.64817 3.971134   46.51900 3.971134   46.51900 ?          ?        55.28767 23.64817 ?        ?        ?         ?        
1 1 1 25 23 9  o 61.50605 21.40333 37.44213   32.33638 37.44213   32.33638 ?          ?        61.50605 21.40333 ?        ?        ?         ?        
1 1 1 25 23 10 o 34.50132 16.70597 -55.02858  35.74022 -55.02858  35.74022 ?          ?        34.50132 16.70597 ?        ?        ?         ?        
1 1 1 25 23 11 o 110.7913 14.08133 128.2109   31.20177 128.2109   31.20177 ?          ?        110.7913 14.08133 ?        ?        ?         ?        
1 1 1 25 23 12 o 47.71897 18.88057 17.01915   26.66333 17.01915   26.66333 ?          ?        47.71897 18.88057 ?        ?        ?         ?        
1 1 1 25 23 13 o 47.00578 19.26791 13.61532   28.93255 13.61532   28.93255 ?          ?        47.00578 19.26791 ?        ?        ?         ?        
1 1 1 25 24 0  o 293.1705 12.53059 867.4093   73.18234 867.4093   73.18234 867.4093   73.18234 293.1705 12.53059 293.1705 12.53059 -0.000000 0.000000 
1 1 1 25 24 1  o 469.9414 11.83039 2223.835   111.1918 2223.835   111.1918 ?          ?        469.9414 11.83039 ?        ?        ?         ?        
1 1 1 25 24 2  o 51.54945 19.99442 17.58645   29.49986 17.58645   29.49986 ?          ?        51.54945 19.99442 ?        ?        ?         ?        
1 1 1 25 24 3  o 43.00323 18.02116 3.403830   26.09603 3.403830   26.09603 ?          ?        43.00323 18.02116 ?        ?        ?         ?        
1 1 1 25 24 4  o 101.5915 15.91490 104.9514   32.33638 104.9514   32.33638 ?          ?        101.5915 15.91490 ?        ?        ?         ?        
1 1 1 25 24 5  o 355.7578 9.248900 1273.032   65.80738 1273.032   65.80738 ?          ?        355.7578 9.248900 ?        ?        ?         ?        
1 1 1 25 24 6  o 64.69721 20.42343 43.11518   29.49986 43.11518   29.49986 ?          ?        64.69721 20.42343 ?        ?        ?         ?        
1 1 1 25 24 7  o 89.37835 14.59863 81.69191   26.09603 81.69191   26.09603 ?          ?        89.37835 14.59863 ?        ?        ?         ?        
1 1 1 25 24 8  o 199.2682 9.679605 401.6519   38.57674 401.6519   38.57674 ?          ?        199.2682 9.679605 ?        ?        ?         ?        
1 1 1 25 24 9  o 45.48938 19.21618 4.538440   30.06716 4.538440   30.06716 ?          ?        45.48938 19.21618 ?        ?        ?         ?        
1 1 1 25 24 10 o 73.40133 20.22958 59.56702   30.63447 59.56702   30.63447 ?          ?        73.40133 20.22958 ?        ?        ?         ?        
1 1 1 25 24 11 o 53.86465 20.77873 24.39412   31.76908 24.39412   31.76908 ?          ?        53.86465 20.77873 ?        ?        ?         ?        
1 1 1 25 24 12 o 45.36908 18.53017 11.91340   26.66333 11.91340   26.66333 ?          ?        45.36908 18.53017 ?        ?        ?         ?        
1 1 1 25 24 13 o 132.6185 11.33596 183.2395   30.06716 183.2395   30.06716 ?          ?        132.6185 11.33596 ?        ?        ?         ?        
1 1 1 25 25 0  o 99.82312 24.29001 116.8648   41.98057 116.8648   41.98057 116.8648   41.98057 99.82312 24.29001 99.82312 24.29001 -0.000000 0.000000 
1 1 1 25 25 1  o 265.2733 8.233486 706.2947   43.68248 706.2947   43.68248 ?          ?        265.2733 8.233486 ?        ?        ?         ?        
1 1 1 25 25 2  o 45.99994 18.74681 8.509575   27.23064 8.509575   27.23064 ?          ?        45.99994 18.74681 ?        ?        ?         ?        
1 1 1 25 25 3  o 283.2633 8.111129 805.5731   45.95170 805.5731   45.95170 ?          ?        283.2633 8.111129 ?        ?        ?         ?        
1 1 1 25 25 4  o 118.6645 12.66898 142.3935   30.06716 142.3935   30.06716 ?          ?        118.6645 12.66898 ?        ?        ?         ?        
1 1 1 25 25 5  o 238.1145 8.100460 569.5742   38.57674 569.5742   38.57674 ?          ?        238.1145 8.100460 ?        ?        ?         ?        
1 1 1 25 25 6  o 133.0025 10.66343 178.7011   28.36525 178.7011   28.36525 ?          ?        133.0025 10.66343 ?        ?        ?         ?        
1 1 1 25 25 7  o 185.1579 9.498085 346.6233   35.17290 346.6233   35.17290 ?          ?        185.1579 9.498085 ?        ?        ?         ?        
1 1 1 25 25 8  o 117.0932 11.62777 139.5570   27.23064 139.5570   27.23064 ?          ?        117.0932 11.62777 ?        ?        ?         ?        
1 1 1 25 25 9  o 50.17620 19.72603 17.58645   28.93255 17.58645   28.93255 ?          ?        50.17620 19.72603 ?        ?        ?         ?        
1 1 1 25 25 10 o 64.30135 21.43814 43.68248   32.33638 43.68248   32.33638 ?          ?        64.30135 21.43814 ?        ?        ?         ?        
1 1 1 25 25 11 o 44.97498 19.48565 1.701915   32.33638 1.701915   32.33638 ?          ?        44.97498 19.48565 ?        ?        ?         ?        
1 1 1 25 25 12 o 42.47367 18.50900 0.000000   29.49986 0.000000   29.49986 ?          ?        42.47367 18.50900 ?        ?        ?         ?        
1 1 1 25 25 13 o 130.9554 11.47993 179.2684   30.06716 179.2684   30.06716 ?          ?        130.9554 11.47993 ?        ?        ?         ?        
1 1 1 25 26 0  o 54.37411 28.61687 44.24979   40.84595 44.24979   40.84595 44.24979   40.84595 54.37411 28.61687 54.37411 28.61687 -0.000000 0.000000 
1 1 1 25 26 1  o 278.0940 7.955904 776.0732   44.24979 776.0732   44.24979 ?          ?        278.0940 7.955904 ?        ?        ?         ?        
1 1 1 25 26 2  o 195.3509 9.147696 383.4982   35.74022 383.4982   35.74022 ?          ?        195.3509 9.147696 ?        ?        ?         ?        
1 1 1 25 26 3  o 283.7585 8.296899 808.9769   47.08631 808.9769   47.08631 ?          ?        283.7585 8.296899 ?        ?        ?         ?        
1 1 1 25 26 4  o 218.0554 8.195216 477.6707   35.74022 477.6707   35.74022 ?          ?        218.0554 8.195216 ?        ?        ?         ?        
1 1 1 25 26 5  o 124.4746 11.62187 156.5762   28.93255 156.5762   28.93255 ?          ?        124.4746 11.62187 ?        ?        ?         ?        
1 1 1 25 26 6  o 96.63496 15.26355 95.30723   29.49986 95.30723   29.49986 ?          ?        96.63496 15.26355 ?        ?        ?         ?        
1 1 1 25 26 7  o 39.84941 17.19045 -1.134610  24.96142 -1.134610  24.96142 ?          ?        39.84941 17.19045 ?        ?        ?         ?        
1 1 1 25 26 8  o 143.0061 9.322443 207.0663   26.66333 207.0663   26.66333 ?          ?        143.0061 9.322443 ?        ?        ?         ?        
1 1 1 25 26 9  o 215.9975 8.404614 471.9977   36.30752 471.9977   36.30752 ?          ?        215.9975 8.404614 ?        ?        ?         ?        
1 1 1 25 26 10 o 92.39725 16.56382 92.47070   29.49986 92.47070   29.49986 ?          ?        92.39725 16.56382 ?        ?        ?         ?        
1 1 1 25 26 11 o 106.6760 14.09274 119.7014   30.06716 119.7014   30.06716 ?          ?        106.6760 14.09274 ?        ?        ?         ?        
1 1 1 25 26 12 o 43.91930 18.18830 9.644185   26.09603 9.644185   26.09603 ?          ?        43.91930 18.18830 ?        ?        ?         ?        
1 1 1 25 26 13 o 182.0026 10.59785 344.3541   38.57674 344.3541   38.57674 ?          ?        182.0026 10.59785 ?        ?        ?         ?        
1 1 1 25 27 0  o 59.58183 28.26717 53.32666   38.00943 53.32666   38.00943 53.32666   38.00943 59.58183 28.26717 59.58183 28.26717 -0.000000 0.000000 
1 1 1 25 27 1  o 211.2232 8.594586 448.1709   36.30752 448.1709   36.30752 ?          ?        211.2232 8.594586 ?        ?        ?         ?        
1 1 1 25 27 2  o 267.2569 8.384646 717.6408   44.81709 717.6408   44.81709 ?          ?        267.2569 8.384646 ?        ?        ?         ?        
1 1 1 25 27 3  o 140.2851 11.32304 198.5567   31.76908 198.5567   31.76908 ?          ?        140.2851 11.32304 ?        ?        ?         ?        
1 1 1 25 27 4  o 47.38677 18.55463 14.18262   25.52872 14.18262   25.52872 ?          ?        47.38677 18.55463 ?        ?        ?         ?        
1 1 1 25 27 5  o 201.7629 8.294635 409.5942   33.47099 409.5942   33.47099 ?          ?        201.7629 8.294635 ?        ?        ?         ?        
1 1 1 25 27 6  o 118.5277 11.48703 142.3935   27.23064 142.3935   27.23064 ?          ?        118.5277 11.48703 ?        ?        ?         ?        
1 1 1 25 27 7  o 34.65249 16.00895 -19.85567  26.09603 -19.85567  26.09603 ?          ?        34.65249 16.00895 ?        ?        ?         ?        
1 1 1 25 27 8  o 84.58243 16.34508 76.58617   26.66333 76.58617   26.66333 ?          ?        84.58243 16.34508 ?        ?        ?         ?        
1 1 1 25 27 9  o 103.4339 13.16331 110.0572   27.23064 110.0572   27.23064 ?          ?        103.4339 13.16331 ?        ?        ?         ?        
1 1 1 25 27 10 o 32.53027 15.79068 -50.49014  32.33638 -50.49014  32.33638 ?          ?        32.53027 15.79068 ?        ?        ?         ?        
1 1 1 25 27 11 o 219.3117 9.829656 492.4207   43.11518 492.4207   43.11518 ?          ?        219.3117 9.829656 ?        ?        ?         ?        
1 1 1 25 27 12 o 39.55702 17.55216 -4.538440  27.79794 -4.538440  27.79794 ?          ?        39.55702 17.55216 ?        ?        ?         ?        
1 1 1 25 27 13 o 36.26870 16.53029 -11.91340  26.66333 -11.91340  26.66333 ?          ?        36.26870 16.53029 ?        ?        ?         ?        
1 1 1 25 28 0  o 104.7966 24.29976 127.6436   44.24979 127.6436   44.24979 127.6436   44.24979 104.7966 24.29976 104.7966 24.29976 -0.000000 0.000000 
1 1 1 25 28 1  o 280.5664 8.189095 790.8231   45.95170 790.8231   45.95170 ?          ?        280.5664 8.189095 ?        ?        ?         ?        
1 1 1 25 28 2  o 237.8417 8.348273 568.4396   39.71135 568.4396   39.71135 ?          ?        237.8417 8.348273 ?        ?        ?         ?        
1 1 1 25 28 3  o 286.2318 8.324306 823.1595   47.65361 823.1595   47.65361 ?          ?        286.2318 8.324306 ?        ?        ?         ?        
1 1 1 25 28 4  o 243.0240 7.820097 593.4010   38.00943 593.4010   38.00943 ?          ?        243.0240 7.820097 ?        ?        ?         ?        
1 1 1 25 28 5  o 135.8337 9.814695 186.0760   26.66333 186.0760   26.66333 ?          ?        135.8337 9.814695 ?        ?        ?         ?        
1 1 1 25 28 6  o 40.82595 17.87736 -4.538440  27.79794 -4.538440  27.79794 ?          ?        40.82595 17.87736 ?        ?        ?         ?        
1 1 1 25 28 7  o 134.0781 10.15477 182.1049   27.23064 182.1049   27.23064 ?          ?        134.0781 10.15477 ?        ?        ?         ?        
1 1 1 25 28 8  o 103.0050 13.21811 108.9226   27.23064 108.9226   27.23064 ?          ?        103.0050 13.21811 ?        ?        ?         ?        
1 1 1 25 28 9  o 248.8156 7.980075 625.7374   39.71135 625.7374   39.71135 ?          ?        248.8156 7.980075 ?        ?        ?         ?        
1 1 1 25 28 10 o 170.3690 9.490103 296.1332   32.33638 296.1332   32.33638 ?          ?        170.3690 9.490103 ?        ?        ?         ?        
1 1 1 25 28 11 o 44.27716 18.78428 5.673049   28.93255 5.673049   28.93255 ?          ?        44.27716 18.78428 ?        ?        ?         ?        
1 1 1 25 28 12 o 53.05872 18.57784 29.49986   24.39412 29.49986   24.39412 ?          ?        53.05872 18.57784 ?        ?        ?         ?        
1 1 1 25 29 0  o 39.10659 24.26086 13.04801   36.87482 13.04801   36.87482 13.04801   36.87482 39.10659 24.26086 39.10659 24.26086 -0.000000 0.000000 
1 1 1 25 29 1  o 198.1845 8.730651 394.8442   34.60560 394.8442   34.60560 ?          ?        198.1845 8.730651 ?        ?        ?         ?        
1 1 1 25 29 2  o 95.55557 13.65490 92.47070   26.09603 92.47070   26.09603 ?          ?        95.55557 13.65490 ?        ?        ?         ?        
1 1 1 25 29 3  o 221.7577 8.186304 494.1226   36.30752 494.1226   36.30752 ?          ?        221.7577 8.186304 ?        ?        ?         ?        
1 1 1 25 29 4  o 113.2165 12.27645 129.9128   27.79794 129.9128   27.79794 ?          ?        113.2165 12.27645 ?        ?        ?         ?        
1 1 1 25 29 5  o 330.5820 8.666202 1100.572   57.29780 1100.572   57.29780 ?          ?        330.5820 8.666202 ?        ?        ?         ?        
1 1 1 25 29 6  o 86.47914 16.01796 79.42269   26.66333 79.42269   26.66333 ?          ?        86.47914 16.01796 ?        ?        ?         ?        
1 1 1 25 29 7  f 200.2078 8.075704 404.4884   32.33638 404.4884   32.33638 ?          ?        200.2078 8.075704 ?        ?        ?         ?        
1 1 1 25 29 8  o 78.77767 16.38602 66.94199   24.96142 66.94199   24.96142 ?          ?        78.77767 16.38602 ?        ?        ?         ?        
1 1 1 25 29 9  o 83.22747 15.57269 74.31695   24.96142 74.31695   24.96142 ?          ?        83.22747 15.57269 ?        ?        ?         ?        
1 1 1 25 29 10 o 74.00549 16.16103 60.13433   23.25950 60.13433   23.25950 ?          ?        74.00549 16.16103 ?        ?        ?         ?        
1 1 1 25 29 11 o 35.05378 15.59678 -5.673049  22.12490 -5.673049  22.12490 ?          ?        35.05378 15.59678 ?        ?        ?         ?        
1 1 1 25 29 12 o 146.8307 9.079619 221.2489   26.66333 221.2489   26.66333 ?          ?        146.8307 9.079619 ?        ?        ?         ?        
1 1 1 25 30 0  o 36.78197 23.51966 5.673049   37.44213 5.673049   37.44213 5.673049   37.44213 36.78197 23.51966 36.78197 23.51966 -0.000000 0.000000 
1 1 1 25 30 1  o 181.2474 8.607508 330.1715   31.20177 330.1715   31.20177 ?          ?        181.2474 8.607508 ?        ?        ?         ?        
1 1 1 25 30 2  o 107.9401 13.40213 117.9994   28.93255 117.9994   28.93255 ?          ?        107.9401 13.40213 ?        ?        ?         ?        
1 1 1 25 30 3  o 217.9375 8.199647 477.6707   35.74022 477.6707   35.74022 ?          ?        217.9375 8.199647 ?        ?        ?         ?        
1 1 1 25 30 4  o 154.8875 9.156724 241.6719   28.36525 241.6719   28.36525 ?          ?        154.8875 9.156724 ?        ?        ?         ?        
1 1 1 25 30 5  o 111.6277 11.43476 126.5090   25.52872 126.5090   25.52872 ?          ?        111.6277 11.43476 ?        ?        ?         ?        
1 1 1 25 30 6  o 211.3742 8.185862 450.4402   34.60560 450.4402   34.60560 ?          ?        211.3742 8.185862 ?        ?        ?         ?        
1 1 1 25 30 7  o 262.3148 7.893811 694.3813   41.41326 694.3813   41.41326 ?          ?        262.3148 7.893811 ?        ?        ?         ?        
1 1 1 25 30 8  o 146.7464 9.278130 218.4124   27.23064 218.4124   27.23064 ?          ?        146.7464 9.278130 ?        ?        ?         ?        
1 1 1 25 30 9  o 90.55240 13.78286 85.09574   24.96142 85.09574   24.96142 ?          ?        90.55240 13.78286 ?        ?        ?         ?        
1 1 1 25 30 10 f 43.33377 17.71570 10.21149   24.39412 10.21149   24.39412 ?          ?        43.33377 17.71570 ?        ?        ?         ?        
1 1 1 25 30 11 o 104.8944 12.98003 115.1629   27.23064 115.1629   27.23064 ?          ?        104.8944 12.98003 ?        ?        ?         ?        
1 1 1 25 30 12 o 46.77604 18.98223 14.74993   27.79794 14.74993   27.79794 ?          ?        46.77604 18.98223 ?        ?        ?         ?        
1 1 1 25 31 0  o 144.8811 13.53335 216.7105   38.57674 216.7105   38.57674 216.7105   38.57674 144.8811 13.53335 144.8811 13.53335 -0.000000 0.000000 
1 1 1 25 31 1  o 129.0449 10.55084 167.9223   27.23064 167.9223   27.23064 ?          ?        129.0449 10.55084 ?        ?        ?         ?        
1 1 1 25 31 2  o 171.0332 8.789863 294.4313   30.06716 294.4313   30.06716 ?          ?        171.0332 8.789863 ?        ?        ?         ?        
1 1 1 25 31 3  o 61.68857 19.40674 39.14404   26.66333 39.14404   26.66333 ?          ?        61.68857 19.40674 ?        ?        ?         ?        
1 1 1 25 31 4  o 201.3358 8.030459 407.8922   32.33638 407.8922   32.33638 ?          ?        201.3358 8.030459 ?        ?        ?         ?        
1 1 1 25 31 5  o 98.08023 12.72500 98.14376   24.96142 98.14376   24.96142 ?          ?        98.08023 12.72500 ?        ?        ?         ?        
1 1 1 25 31 6  o 68.40214 19.15208 50.49014   27.23064 50.49014   27.23064 ?          ?        68.40214 19.15208 ?        ?        ?         ?        
1 1 1 25 31 7  o 186.7507 8.201969 352.2964   30.63447 352.2964   30.63447 ?          ?        186.7507 8.201969 ?        ?        ?         ?        
1 1 1 25 31 8  o 61.69012 18.65302 40.84595   24.96142 40.84595   24.96142 ?          ?        61.69012 18.65302 ?        ?        ?         ?        
1 1 1 25 31 9  o 154.6729 9.352822 243.9411   28.93255 243.9411   28.93255 ?          ?        154.6729 9.352822 ?        ?        ?         ?        
1 1 1 25 31 10 o 119.9847 10.63832 148.0666   25.52872 148.0666   25.52872 ?          ?        119.9847 10.63832 ?        ?        ?         ?        
1 1 1 25 31 11 o 42.61681 17.20962 11.34610   22.69220 11.34610   22.69220 ?          ?        42.61681 17.20962 ?        ?        ?         ?        
1 1 1 25 31 12 f 28.74185 13.97639 -39.71135  25.52872 -39.71135  25.52872 ?          ?        28.74185 13.97639 ?        ?        ?         ?        
1 1 1 25 32 0  o 52.04576 28.40352 40.27865   41.41326 40.27865   41.41326 40.27865   41.41326 52.04576 28.40352 52.04576 28.40352 -0.000000 0.000000 
1 1 1 25 32 1  o 49.62773 19.21806 17.01915   27.23064 17.01915   27.23064 ?          ?        49.62773 19.21806 ?        ?        ?         ?        
1 1 1 25 32 2  o 166.5838 9.365189 279.6813   31.20177 279.6813   31.20177 ?          ?        166.5838 9.365189 ?        ?        ?         ?        
1 1 1 25 32 3  o 309.1229 9.451325 963.2838   58.43241 963.2838   58.43241 ?          ?        309.1229 9.451325 ?        ?        ?         ?        
1 1 1 25 32 4  o 143.4836 9.686798 208.2009   27.79794 208.2009   27.79794 ?          ?        143.4836 9.686798 ?        ?        ?         ?        
1 1 1 25 32 5  o 284.4750 8.475423 816.3518   48.22092 816.3518   48.22092 ?          ?        284.4750 8.475423 ?        ?        ?         ?        
1 1 1 25 32 6  o 66.06222 19.10052 47.08631   26.66333 47.08631   26.66333 ?          ?        66.06222 19.10052 ?        ?        ?         ?        
1 1 1 25 32 7  o 144.5568 8.829996 211.6048   25.52872 211.6048   25.52872 ?          ?        144.5568 8.829996 ?        ?        ?         ?        
1 1 1 25 32 8  o 75.43150 18.22673 62.40355   27.23064 62.40355   27.23064 ?          ?        75.43150 18.22673 ?        ?        ?         ?        
1 1 1 25 32 9  o 55.15460 17.71550 32.33638   22.12490 32.33638   22.12490 ?          ?        55.15460 17.71550 ?        ?        ?         ?        
1 1 1 25 32 10 o 31.51312 14.79012 -22.12490  23.82681 -22.12490  23.82681 ?          ?        31.51312 14.79012 ?        ?        ?         ?        
1 1 1 25 32 11 o 30.06409 14.10251 -19.28837  21.55759 -19.28837  21.55759 ?          ?        30.06409 14.10251 ?        ?        ?         ?        
1 1 1 25 32 12 o 32.55563 15.13823 -17.01915  23.82681 -17.01915  23.82681 ?          ?        32.55563 15.13823 ?        ?        ?         ?        
1 1 1 25 33 0  o 156.9414 13.94477 254.1526   43.11518 254.1526   43.11518 254.1526   43.11518 156.9414 13.94477 156.9414 13.94477 -0.000000 0.000000 
1 1 1 25 33 1  o 139.6734 10.15414 196.8548   28.36525 196.8548   28.36525 ?          ?        139.6734 10.15414 ?        ?        ?         ?        
1 1 1 25 33 2  o 43.64158 17.89418 7.374964   24.96142 7.374964   24.96142 ?          ?        43.64158 17.89418 ?        ?        ?         ?        
1 1 1 25 33 3  o 106.3357 14.40461 115.7302   30.63447 115.7302   30.63447 ?          ?        106.3357 14.40461 ?        ?        ?         ?        
1 1 1 25 33 4  o 38.23421 16.91111 -6.807660  25.52872 -6.807660  25.52872 ?          ?        38.23421 16.91111 ?        ?        ?         ?        
1 1 1 25 33 5  o 65.03706 18.37788 45.38440   24.96142 45.38440   24.96142 ?          ?        65.03706 18.37788 ?        ?        ?         ?        
1 1 1 25 33 6  o 73.07463 17.32130 57.86510   24.96142 57.86510   24.96142 ?          ?        73.07463 17.32130 ?        ?        ?         ?        
1 1 1 25 33 7  o 104.8583 12.71399 112.8937   26.66333 112.8937   26.66333 ?          ?        104.8583 12.71399 ?        ?        ?         ?        
1 1 1 25 33 8  o 119.6971 10.66389 146.3647   25.52872 146.3647   25.52872 ?          ?        119.6971 10.66389 ?        ?        ?         ?        
1 1 1 25 33 9  o 120.8266 10.32944 149.7685   24.96142 149.7685   24.96142 ?          ?        120.8266 10.32944 ?        ?        ?         ?        
1 1 1 25 33 10 o 58.23128 18.08732 37.44213   23.25950 37.44213   23.25950 ?          ?        58.23128 18.08732 ?        ?        ?         ?        
1 1 1 25 33 11 o 123.4347 11.03039 158.2781   27.23064 158.2781   27.23064 ?          ?        123.4347 11.03039 ?        ?        ?         ?        
1 1 1 25 34 0  o 51.80356 27.05953 40.84595   36.30752 40.84595   36.30752 40.84595   36.30752 51.80356 27.05953 51.80356 27.05953 -0.000000 0.000000 
1 1 1 25 34 1  o 153.9936 9.762469 239.4027   30.06716 239.4027   30.06716 ?          ?        153.9936 9.762469 ?        ?        ?         ?        
1 1 1 25 34 2  o 43.72543 17.90561 7.942269   24.96142 7.942269   24.96142 ?          ?        43.72543 17.90561 ?        ?        ?         ?        
1 1 1 25 34 3  o 139.6798 9.747519 197.4221   27.23064 197.4221   27.23064 ?          ?        139.6798 9.747519 ?        ?        ?         ?        
1 1 1 25 34 4  o 164.1791 9.156820 272.3064   30.06716 272.3064   30.06716 ?          ?        164.1791 9.156820 ?        ?        ?         ?        
1 1 1 25 34 5  o 118.7344 11.22814 143.5282   26.66333 143.5282   26.66333 ?          ?        118.7344 11.22814 ?        ?        ?         ?        
1 1 1 25 34 6  o 80.28544 16.11307 69.21120   24.96142 69.21120   24.96142 ?          ?        80.28544 16.11307 ?        ?        ?         ?        
1 1 1 25 34 7  o 70.62882 17.69190 54.46128   24.96142 54.46128   24.96142 ?          ?        70.62882 17.69190 ?        ?        ?         ?        
1 1 1 25 34 8  o 122.6386 10.87069 154.3070   26.66333 154.3070   26.66333 ?          ?        122.6386 10.87069 ?        ?        ?         ?        
1 1 1 25 34 9  o 94.87555 14.05174 94.73994   26.66333 94.73994   26.66333 ?          ?        94.87555 14.05174 ?        ?        ?         ?        
1 1 1 25 34 10 o 129.1590 9.882675 171.3261   25.52872 171.3261   25.52872 ?          ?        129.1590 9.882675 ?        ?        ?         ?        
1 1 1 25 34 11 o 86.39272 14.11816 79.42269   24.39412 79.42269   24.39412 ?          ?        86.39272 14.11816 ?        ?        ?         ?        
1 1 1 25 35 0  o 150.1743 13.81876 233.7296   40.84595 233.7296   40.84595 233.7296   40.84595 150.1743 13.81876 150.1743 13.81876 -0.000000 0.000000 
1 1 1 25 35 1  o 51.92543 19.28000 22.69220   26.66333 22.69220   26.66333 ?          ?        51.92543 19.28000 ?        ?        ?         ?        
1 1 1 25 35 2  o 36.11652 16.43209 -14.74993  26.09603 -14.74993  26.09603 ?          ?        36.11652 16.43209 ?        ?        ?         ?        
1 1 1 25 35 3  f 91.68591 14.54058 86.23035   26.66333 86.23035   26.66333 ?          ?        91.68591 14.54058 ?        ?        ?         ?        
1 1 1 25 35 4  o 168.3284 8.257059 285.9217   27.79794 285.9217   27.79794 ?          ?        168.3284 8.257059 ?        ?        ?         ?        
1 1 1 25 35 5  f 115.6960 10.78751 136.1532   24.96142 136.1532   24.96142 ?          ?        115.6960 10.78751 ?        ?        ?         ?        
1 1 1 25 35 6  o 111.2196 11.73176 126.5090   26.09603 126.5090   26.09603 ?          ?        111.2196 11.73176 ?        ?        ?         ?        
1 1 1 25 35 7  o 46.72678 18.17001 15.88454   24.39412 15.88454   24.39412 ?          ?        46.72678 18.17001 ?        ?        ?         ?        
1 1 1 25 35 8  o 171.9799 8.576544 300.6716   29.49986 300.6716   29.49986 ?          ?        171.9799 8.576544 ?        ?        ?         ?        
1 1 1 25 35 9  o 56.98083 21.50828 30.06716   33.47099 30.06716   33.47099 ?          ?        56.98083 21.50828 ?        ?        ?         ?        
1 1 1 25 35 10 o 44.39672 18.26558 10.77879   26.09603 10.77879   26.09603 ?          ?        44.39672 18.26558 ?        ?        ?         ?        
1 1 1 25 35 11 o 90.43672 14.74143 87.93227   26.66333 87.93227   26.66333 ?          ?        90.43672 14.74143 ?        ?        ?         ?        
1 1 1 25 36 0  o 72.34638 28.37220 74.31695   39.14404 74.31695   39.14404 74.31695   39.14404 72.34638 28.37220 72.34638 28.37220 -0.000000 0.000000 
1 1 1 25 36 1  f 60.30598 19.45556 37.44213   26.66333 37.44213   26.66333 ?          ?        60.30598 19.45556 ?        ?        ?         ?        
1 1 1 25 36 2  o 103.2777 13.18321 108.9226   27.23064 108.9226   27.23064 ?          ?        103.2777 13.18321 ?        ?        ?         ?        
1 1 1 25 36 3  o 64.03539 19.01413 43.68248   26.09603 43.68248   26.09603 ?          ?        64.03539 19.01413 ?        ?        ?         ?        
1 1 1 25 36 4  o 59.50169 18.27127 37.44213   23.82681 37.44213   23.82681 ?          ?        59.50169 18.27127 ?        ?        ?         ?        
1 1 1 25 36 5  o 35.11383 16.20680 -19.28837  26.66333 -19.28837  26.66333 ?          ?        35.11383 16.20680 ?        ?        ?         ?        
1 1 1 25 36 6  o 65.78423 18.85604 47.08631   26.09603 47.08631   26.09603 ?          ?        65.78423 18.85604 ?        ?        ?         ?        
1 1 1 25 36 7  o 167.4712 8.807441 284.7871   29.49986 284.7871   29.49986 ?          ?        167.4712 8.807441 ?        ?        ?         ?        
1 1 1 25 36 8  o 81.95512 15.79226 73.18234   24.96142 73.18234   24.96142 ?          ?        81.95512 15.79226 ?        ?        ?         ?        
1 1 1 25 36 9  o 117.5653 14.23506 145.7974   33.47099 145.7974   33.47099 ?          ?        117.5653 14.23506 ?        ?        ?         ?        
1 1 1 25 36 10 o 89.17268 16.52522 88.49958   28.36525 88.49958   28.36525 ?          ?        89.17268 16.52522 ?        ?        ?         ?        
1 1 1 25 36 11 o 29.87494 14.35637 -31.76908  24.96142 -31.76908  24.96142 ?          ?        29.87494 14.35637 ?        ?        ?         ?        
1 1 1 25 37 0  o 74.10779 26.78548 74.88425   36.30752 74.88425   36.30752 74.88425   36.30752 74.10779 26.78548 74.10779 26.78548 -0.000000 0.000000 
1 1 1 25 37 1  o 120.7318 11.27732 148.0666   27.23064 148.0666   27.23064 ?          ?        120.7318 11.27732 ?        ?        ?         ?        
1 1 1 25 37 2  o 115.7582 11.02674 136.1532   25.52872 136.1532   25.52872 ?          ?        115.7582 11.02674 ?        ?        ?         ?        
1 1 1 25 37 3  o 62.87875 17.73140 42.54787   23.25950 42.54787   23.25950 ?          ?        62.87875 17.73140 ?        ?        ?         ?        
1 1 1 25 37 4  o 113.6487 11.23142 131.6148   25.52872 131.6148   25.52872 ?          ?        113.6487 11.23142 ?        ?        ?         ?        
1 1 1 25 37 5  o 119.6261 10.67021 145.7974   25.52872 145.7974   25.52872 ?          ?        119.6261 10.67021 ?        ?        ?         ?        
1 1 1 25 37 6  o 94.04342 12.36636 90.76879   23.25950 90.76879   23.25950 ?          ?        94.04342 12.36636 ?        ?        ?         ?        
1 1 1 25 37 7  o 62.40476 19.83846 42.54787   27.79794 42.54787   27.79794 ?          ?        62.40476 19.83846 ?        ?        ?         ?        
1 1 1 25 37 8  o 177.1251 8.647693 319.9600   30.63447 319.9600   30.63447 ?          ?        177.1251 8.647693 ?        ?        ?         ?        
1 1 1 25 37 9  o 125.0849 11.56517 162.2492   28.93255 162.2492   28.93255 ?          ?        125.0849 11.56517 ?        ?        ?         ?        
1 1 1 25 37 10 o 71.36994 16.59455 57.29780   23.25950 57.29780   23.25950 ?          ?        71.36994 16.59455 ?        ?        ?         ?        
1 1 1 25 38 0  o 131.5806 14.76459 182.1049   38.00943 182.1049   38.00943 182.1049   38.00943 131.5806 14.76459 131.5806 14.76459 -0.000000 0.000000 
1 1 1 25 38 1  o 91.24194 14.30046 85.66305   26.09603 85.66305   26.09603 ?          ?        91.24194 14.30046 ?        ?        ?         ?        
1 1 1 25 38 2  f 195.9031 8.108367 387.4693   31.76908 387.4693   31.76908 ?          ?        195.9031 8.108367 ?        ?        ?         ?        
1 1 1 25 38 3  o 49.34446 18.58806 19.85567   24.96142 19.85567   24.96142 ?          ?        49.34446 18.58806 ?        ?        ?         ?        
1 1 1 25 38 4  o 47.69979 18.25670 17.58645   24.39412 17.58645   24.39412 ?          ?        47.69979 18.25670 ?        ?        ?         ?        
1 1 1 25 38 5  o 68.36066 18.30276 51.05745   25.52872 51.05745   25.52872 ?          ?        68.36066 18.30276 ?        ?        ?         ?        
1 1 1 25 38 6  o 65.86339 18.30276 47.65361   24.96142 47.65361   24.96142 ?          ?        65.86339 18.30276 ?        ?        ?         ?        
1 1 1 25 38 7  o 59.50963 18.27077 38.57674   23.82681 38.57674   23.82681 ?          ?        59.50963 18.27077 ?        ?        ?         ?        
1 1 1 25 38 8  f 39.98753 17.21952 1.134610   24.96142 1.134610   24.96142 ?          ?        39.98753 17.21952 ?        ?        ?         ?        
1 1 1 25 38 9  o 157.8049 9.706439 255.8545   30.63447 255.8545   30.63447 ?          ?        157.8049 9.706439 ?        ?        ?         ?        
1 1 1 25 38 10 o 173.9440 8.479700 309.7485   29.49986 309.7485   29.49986 ?          ?        173.9440 8.479700 ?        ?        ?         ?        
1 1 1 25 39 0  o 103.0056 16.03371 113.4610   31.20177 113.4610   31.20177 113.4610   31.20177 103.0056 16.03371 103.0056 16.03371 -0.000000 0.000000 
1 1 1 25 39 1  o 122.6067 11.33622 153.1723   27.79794 153.1723   27.79794 ?          ?        122.6067 11.33622 ?        ?        ?         ?        
1 1 1 25 39 2  o 97.22977 14.58671 97.57646   28.36525 97.57646   28.36525 ?          ?        97.22977 14.58671 ?        ?        ?         ?        
1 1 1 25 39 3  o 174.9530 8.592927 309.7485   30.06716 309.7485   30.06716 ?          ?        174.9530 8.592927 ?        ?        ?         ?        
1 1 1 25 39 4  o 71.07793 17.29932 55.02858   24.39412 55.02858   24.39412 ?          ?        71.07793 17.29932 ?        ?        ?         ?        
1 1 1 25 39 5  o 208.6454 8.021023 440.2286   33.47099 440.2286   33.47099 ?          ?        208.6454 8.021023 ?        ?        ?         ?        
1 1 1 25 39 6  o 64.13010 19.74392 45.38440   27.79794 45.38440   27.79794 ?          ?        64.13010 19.74392 ?        ?        ?         ?        
1 1 1 25 39 7  o 72.38731 17.10093 58.43241   24.39412 58.43241   24.39412 ?          ?        72.38731 17.10093 ?        ?        ?         ?        
1 1 1 25 39 8  f 99.56221 13.10539 103.8168   26.09603 103.8168   26.09603 ?          ?        99.56221 13.10539 ?        ?        ?         ?        
1 1 1 25 39 9  o 57.26982 18.62019 36.30752   24.39412 36.30752   24.39412 ?          ?        57.26982 18.62019 ?        ?        ?         ?        
1 1 1 25 39 10 o 48.11223 18.15101 21.55759   23.82681 21.55759   23.82681 ?          ?        48.11223 18.15101 ?        ?        ?         ?        
1 1 1 25 40 0  o 49.06498 26.64708 36.87482   36.30752 36.87482   36.30752 36.87482   36.30752 49.06498 26.64708 49.06498 26.64708 -0.000000 0.000000 
1 1 1 25 40 1  o 153.3214 9.250261 238.2681   28.36525 238.2681   28.36525 ?          ?        153.3214 9.250261 ?        ?        ?         ?        
1 1 1 25 40 2  o 80.91962 17.01342 70.91312   26.66333 70.91312   26.66333 ?          ?        80.91962 17.01342 ?        ?        ?         ?        
1 1 1 25 40 3  o 34.33963 15.64442 -13.61532  23.82681 -13.61532  23.82681 ?          ?        34.33963 15.64442 ?        ?        ?         ?        
1 1 1 25 40 4  o 28.43789 13.86107 -44.24979  25.52872 -44.24979  25.52872 ?          ?        28.43789 13.86107 ?        ?        ?         ?        
1 1 1 25 40 5  o 139.3176 9.976462 197.9895   27.79794 197.9895   27.79794 ?          ?        139.3176 9.976462 ?        ?        ?         ?        
1 1 1 25 40 6  o 142.6422 9.545083 207.6336   27.23064 207.6336   27.23064 ?          ?        142.6422 9.545083 ?        ?        ?         ?        
1 1 1 25 40 7  o 45.17477 18.24903 12.48071   25.52872 12.48071   25.52872 ?          ?        45.17477 18.24903 ?        ?        ?         ?        
1 1 1 25 40 8  o 191.2448 8.305868 372.7193   31.76908 372.7193   31.76908 ?          ?        191.2448 8.305868 ?        ?        ?         ?        
1 1 1 25 40 9  o 163.2519 9.035074 273.4410   29.49986 273.4410   29.49986 ?          ?        163.2519 9.035074 ?        ?        ?         ?        
1 1 1 25 40 10 f 30.77348 14.53935 -23.82681  23.82681 -23.82681  23.82681 ?          ?        30.77348 14.53935 ?        ?        ?         ?        
1 1 1 25 41 0  o 106.6161 20.11998 127.6436   38.57674 127.6436   38.57674 127.6436   38.57674 106.6161 20.11998 106.6161 20.11998 -0.000000 0.000000 
1 1 1 25 41 1  o 166.4092 8.522738 280.2487   28.36525 280.2487   28.36525 ?          ?        166.4092 8.522738 ?        ?        ?         ?        
1 1 1 25 41 2  o 105.0302 11.88298 112.8937   24.96142 112.8937   24.96142 ?          ?        105.0302 11.88298 ?        ?        ?         ?        
1 1 1 25 41 3  o 35.29076 16.06027 -13.61532  24.96142 -13.61532  24.96142 ?          ?        35.29076 16.06027 ?        ?        ?         ?        
1 1 1 25 41 4  o 111.6759 12.19182 128.2109   27.23064 128.2109   27.23064 ?          ?        111.6759 12.19182 ?        ?        ?         ?        
1 1 1 25 41 5  o 67.25304 19.25654 50.49014   27.23064 50.49014   27.23064 ?          ?        67.25304 19.25654 ?        ?        ?         ?        
1 1 1 25 41 6  o 90.84438 14.05080 86.79766   25.52872 86.79766   25.52872 ?          ?        90.84438 14.05080 ?        ?        ?         ?        
1 1 1 25 41 7  o 39.02975 16.91730 0.000000   24.39412 0.000000   24.39412 ?          ?        39.02975 16.91730 ?        ?        ?         ?        
1 1 1 25 41 8  o 63.26050 18.81088 45.38440   25.52872 45.38440   25.52872 ?          ?        63.26050 18.81088 ?        ?        ?         ?        
1 1 1 25 41 9  o 113.0279 12.04599 133.8840   27.23064 133.8840   27.23064 ?          ?        113.0279 12.04599 ?        ?        ?         ?        
1 1 1 25 42 0  o 51.04890 27.82686 40.27865   39.71135 40.27865   39.71135 40.27865   39.71135 51.04890 27.82686 51.04890 27.82686 -0.000000 0.000000 
1 1 1 25 42 1  o 76.09790 17.17956 62.97085   25.52872 62.97085   25.52872 ?          ?        76.09790 17.17956 ?        ?        ?         ?        
1 1 1 25 42 2  o 103.2480 13.73646 110.0572   28.36525 110.0572   28.36525 ?          ?        103.2480 13.73646 ?        ?        ?         ?        
1 1 1 25 42 3  o 64.45354 18.70733 45.38440   25.52872 45.38440   25.52872 ?          ?        64.45354 18.70733 ?        ?        ?         ?        
1 1 1 25 42 4  o 109.9964 11.86222 124.8071   26.09603 124.8071   26.09603 ?          ?        109.9964 11.86222 ?        ?        ?         ?        
1 1 1 25 42 5  o 189.3008 8.391162 364.2098   31.76908 364.2098   31.76908 ?          ?        189.3008 8.391162 ?        ?        ?         ?        
1 1 1 25 42 6  o 162.7820 9.235409 270.6045   30.06716 270.6045   30.06716 ?          ?        162.7820 9.235409 ?        ?        ?         ?        
1 1 1 25 42 7  o 83.70553 16.16489 77.15348   26.09603 77.15348   26.09603 ?          ?        83.70553 16.16489 ?        ?        ?         ?        
1 1 1 25 42 8  o 137.7883 10.29306 196.2875   28.36525 196.2875   28.36525 ?          ?        137.7883 10.29306 ?        ?        ?         ?        
1 1 1 25 42 9  o 65.57330 18.87582 49.92284   26.09603 49.92284   26.09603 ?          ?        65.57330 18.87582 ?        ?        ?         ?        
1 1 1 25 43 0  o 182.3565 11.92598 340.9503   43.11518 340.9503   43.11518 340.9503   43.11518 182.3565 11.92598 182.3565 11.92598 -0.000000 0.000000 
1 1 1 25 43 1  f 93.90270 12.68696 90.76879   23.82681 90.76879   23.82681 ?          ?        93.90270 12.68696 ?        ?        ?         ?        
1 1 1 25 43 2  o 33.67030 15.84546 -27.79794  27.79794 -27.79794  27.79794 ?          ?        33.67030 15.84546 ?        ?        ?         ?        
1 1 1 25 43 3  o 145.0901 9.775043 215.0086   28.36525 215.0086   28.36525 ?          ?        145.0901 9.775043 ?        ?        ?         ?        
1 1 1 25 43 4  o 107.1932 11.90781 118.5667   25.52872 118.5667   25.52872 ?          ?        107.1932 11.90781 ?        ?        ?         ?        
1 1 1 25 43 5  o 87.94730 13.54607 81.12460   23.82681 81.12460   23.82681 ?          ?        87.94730 13.54607 ?        ?        ?         ?        
1 1 1 25 43 6  o 260.9905 7.933864 692.6793   41.41326 692.6793   41.41326 ?          ?        260.9905 7.933864 ?        ?        ?         ?        
1 1 1 25 43 7  o 44.99665 18.47941 11.34610   26.66333 11.34610   26.66333 ?          ?        44.99665 18.47941 ?        ?        ?         ?        
1 1 1 25 43 8  o 63.07651 18.82203 45.38440   25.52872 45.38440   25.52872 ?          ?        63.07651 18.82203 ?        ?        ?         ?        
1 1 1 25 44 0  o 25.27294 17.90845 -34.03830  34.60560 -34.03830  34.60560 -34.03830  34.60560 25.27294 17.90845 25.27294 17.90845 -0.000000 0.000000 
1 1 1 25 44 1  o 97.11510 12.55938 97.57646   24.39412 97.57646   24.39412 ?          ?        97.11510 12.55938 ?        ?        ?         ?        
1 1 1 25 44 2  f 111.2732 12.49085 128.2109   27.79794 128.2109   27.79794 ?          ?        111.2732 12.49085 ?        ?        ?         ?        
1 1 1 25 44 3  o 102.1974 11.93480 107.7879   24.39412 107.7879   24.39412 ?          ?        102.1974 11.93480 ?        ?        ?         ?        
1 1 1 25 44 4  o 125.2896 10.64068 161.6819   26.66333 161.6819   26.66333 ?          ?        125.2896 10.64068 ?        ?        ?         ?        
1 1 1 25 44 5  o 102.5055 13.00581 109.4899   26.66333 109.4899   26.66333 ?          ?        102.5055 13.00581 ?        ?        ?         ?        
1 1 1 25 44 6  o 146.0906 9.708102 218.9797   28.36525 218.9797   28.36525 ?          ?        146.0906 9.708102 ?        ?        ?         ?        
1 1 1 25 44 7  o 26.69580 13.09652 -43.68248  23.82681 -43.68248  23.82681 ?          ?        26.69580 13.09652 ?        ?        ?         ?        
1 1 1 25 44 8  o 30.51021 14.58741 -28.93255  24.96142 -28.93255  24.96142 ?          ?        30.51021 14.58741 ?        ?        ?         ?        
1 1 1 25 45 0  o 129.2422 15.28384 178.1338   38.57674 178.1338   38.57674 178.1338   38.57674 129.2422 15.28384 129.2422 15.28384 -0.000000 0.000000 
1 1 1 25 45 1  o 108.9007 13.02344 123.1052   28.36525 123.1052   28.36525 ?          ?        108.9007 13.02344 ?        ?        ?         ?        
1 1 1 25 45 2  o 105.4686 13.17831 115.7302   27.79794 115.7302   27.79794 ?          ?        105.4686 13.17831 ?        ?        ?         ?        
1 1 1 25 45 3  o 38.02070 16.85178 -5.105744  25.52872 -5.105744  25.52872 ?          ?        38.02070 16.85178 ?        ?        ?         ?        
1 1 1 25 45 4  o 90.15647 14.78725 85.66305   26.66333 85.66305   26.66333 ?          ?        90.15647 14.78725 ?        ?        ?         ?        
1 1 1 25 45 5  o 95.05865 14.02467 95.30723   26.66333 95.30723   26.66333 ?          ?        95.05865 14.02467 ?        ?        ?         ?        
1 1 1 25 45 6  o 115.8893 10.76951 138.9897   24.96142 138.9897   24.96142 ?          ?        115.8893 10.76951 ?        ?        ?         ?        
1 1 1 25 45 7  o 35.71373 16.24981 -11.34610  25.52872 -11.34610  25.52872 ?          ?        35.71373 16.24981 ?        ?        ?         ?        
1 1 1 25 45 8  o 94.25204 13.84375 94.73994   26.09603 94.73994   26.09603 ?          ?        94.25204 13.84375 ?        ?        ?         ?        
1 1 1 25 46 0  o 168.2650 11.74726 292.1620   39.14404 292.1620   39.14404 292.1620   39.14404 168.2650 11.74726 168.2650 11.74726 -0.000000 0.000000 
1 1 1 25 46 1  o 78.17198 18.11883 68.64390   27.79794 68.64390   27.79794 ?          ?        78.17198 18.11883 ?        ?        ?         ?        
1 1 1 25 46 2  o 102.6493 12.15859 109.4899   24.96142 109.4899   24.96142 ?          ?        102.6493 12.15859 ?        ?        ?         ?        
1 1 1 25 46 3  o 38.71465 16.74920 0.000000   23.82681 0.000000   23.82681 ?          ?        38.71465 16.74920 ?        ?        ?         ?        
1 1 1 25 46 4  o 31.63127 15.15033 -33.47099  27.23064 -33.47099  27.23064 ?          ?        31.63127 15.15033 ?        ?        ?         ?        
1 1 1 25 46 5  o 117.7410 11.80470 144.0954   27.79794 144.0954   27.79794 ?          ?        117.7410 11.80470 ?        ?        ?         ?        
1 1 1 25 46 6  o 82.92388 15.62327 76.01886   24.96142 76.01886   24.96142 ?          ?        82.92388 15.62327 ?        ?        ?         ?        
1 1 1 25 46 7  o 31.51637 14.83526 -22.69220  24.39412 -22.69220  24.39412 ?          ?        31.51637 14.83526 ?        ?        ?         ?        
1 1 1 25 47 0  o 20.00354 14.72088 -72.04772  34.03830 -72.04772  34.03830 -72.04772  34.03830 20.00354 14.72088 20.00354 14.72088 -0.000000 0.000000 
1 1 1 25 47 1  o 161.3971 9.314653 266.0660   30.06716 266.0660   30.06716 ?          ?        161.3971 9.314653 ?        ?        ?         ?        
1 1 1 25 47 2  o 168.7472 8.908939 290.4601   30.06716 290.4601   30.06716 ?          ?        168.7472 8.908939 ?        ?        ?         ?        
1 1 1 25 47 3  o 48.57569 18.50383 20.42298   24.96142 20.42298   24.96142 ?          ?        48.57569 18.50383 ?        ?        ?         ?        
1 1 1 25 47 4  o 203.0932 7.681641 419.2384   31.20177 419.2384   31.20177 ?          ?        203.0932 7.681641 ?        ?        ?         ?        
1 1 1 25 47 5  o 55.38922 19.04200 32.90369   25.52872 32.90369   25.52872 ?          ?        55.38922 19.04200 ?        ?        ?         ?        
1 1 1 25 47 6  o 92.53162 14.40769 91.33610   26.66333 91.33610   26.66333 ?          ?        92.53162 14.40769 ?        ?        ?         ?        
1 1 1 25 47 7  o 51.32808 19.23575 25.52872   26.66333 25.52872   26.66333 ?          ?        51.32808 19.23575 ?        ?        ?         ?        
1 1 1 25 48 0  o 34.44148 22.37463 3.971134   35.74022 3.971134   35.74022 3.971134   35.74022 34.44148 22.37463 34.44148 22.37463 -0.000000 0.000000 
1 1 1 25 48 1  o 30.68839 14.76929 -35.74022  26.66333 -35.74022  26.66333 ?          ?        30.68839 14.76929 ?        ?        ?         ?        
1 1 1 25 48 2  o 80.81122 18.32047 73.74965   28.93255 73.74965   28.93255 ?          ?        80.81122 18.32047 ?        ?        ?         ?        
1 1 1 25 48 3  o 40.29053 17.17559 3.403830   24.39412 3.403830   24.39412 ?          ?        40.29053 17.17559 ?        ?        ?         ?        
1 1 1 25 48 4  o 47.95841 17.79051 21.55759   22.69220 21.55759   22.69220 ?          ?        47.95841 17.79051 ?        ?        ?         ?        
1 1 1 25 48 5  f 132.6205 10.05249 181.5376   26.66333 181.5376   26.66333 ?          ?        132.6205 10.05249 ?        ?        ?         ?        
1 1 1 25 48 6  o 89.40845 14.27646 85.66305   25.52872 85.66305   25.52872 ?          ?        89.40845 14.27646 ?        ?        ?         ?        
1 1 1 25 49 0  o 126.6426 14.66938 171.3261   36.30752 171.3261   36.30752 171.3261   36.30752 126.6426 14.66938 126.6426 14.66938 -0.000000 0.000000 
1 1 1 25 49 1  o 49.16685 18.56953 21.55759   24.96142 21.55759   24.96142 ?          ?        49.16685 18.56953 ?        ?        ?         ?        
1 1 1 25 49 2  o 55.07024 19.22138 31.76908   26.09603 31.76908   26.09603 ?          ?        55.07024 19.22138 ?        ?        ?         ?        
1 1 1 25 49 3  o 28.33106 13.74064 -37.44213  24.39412 -37.44213  24.39412 ?          ?        28.33106 13.74064 ?        ?        ?         ?        
1 1 1 25 49 4  o 91.94416 14.49974 90.20149   26.66333 90.20149   26.66333 ?          ?        91.94416 14.49974 ?        ?        ?         ?        
1 1 1 25 49 5  o 124.3107 11.18083 161.1146   27.79794 161.1146   27.79794 ?          ?        124.3107 11.18083 ?        ?        ?         ?        
1 1 1 25 50 0  o 91.23484 22.65767 102.1149   35.74022 102.1149   35.74022 102.1149   35.74022 91.23484 22.65767 91.23484 22.65767 -0.000000 0.000000 
1 1 1 25 50 1  o 60.99123 19.43347 41.98057   26.66333 41.98057   26.66333 ?          ?        60.99123 19.43347 ?        ?        ?         ?        
1 1 1 25 50 2  o 96.62175 14.09136 99.27837   27.23064 99.27837   27.23064 ?          ?        96.62175 14.09136 ?        ?        ?         ?        
1 1 1 25 50 3  o 46.79975 18.48787 17.01915   25.52872 17.01915   25.52872 ?          ?        46.79975 18.48787 ?        ?        ?         ?        
1 1 1 25 50 4  o 75.95587 16.87486 65.24007   24.96142 65.24007   24.96142 ?          ?        75.95587 16.87486 ?        ?        ?         ?        
1 1 1 25 50 5  o 39.38708 17.09311 1.134610   24.96142 1.134610   24.96142 ?          ?        39.38708 17.09311 ?        ?        ?         ?        
1 1 1 25 51 0  o 53.55331 27.43657 47.65361   36.87482 47.65361   36.87482 47.65361   36.87482 53.55331 27.43657 53.55331 27.43657 -0.000000 0.000000 
1 1 1 25 51 1  o 109.6749 12.15562 125.9417   26.66333 125.9417   26.66333 ?          ?        109.6749 12.15562 ?        ?        ?         ?        
1 1 1 25 51 2  o 47.06491 18.66067 17.01915   26.09603 17.01915   26.09603 ?          ?        47.06491 18.66067 ?        ?        ?         ?        
1 1 1 25 51 3  o 141.3936 10.23121 207.0663   28.93255 207.0663   28.93255 ?          ?        141.3936 10.23121 ?        ?        ?         ?        
1 1 1 25 51 4  f 87.90594 16.08733 86.23035   27.23064 86.23035   27.23064 ?          ?        87.90594 16.08733 ?        ?        ?         ?        
1 1 1 25 52 0  o 97.77329 20.40540 112.3264   35.17290 112.3264   35.17290 112.3264   35.17290 97.77329 20.40540 97.77329 20.40540 -0.000000 0.000000 
1 1 1 25 52 1  o 113.1935 13.03073 135.5859   29.49986 135.5859   29.49986 ?          ?        113.1935 13.03073 ?        ?        ?         ?        
1 1 1 25 52 2  o 72.35242 19.25718 61.26894   28.36525 61.26894   28.36525 ?          ?        72.35242 19.25718 ?        ?        ?         ?        
1 1 1 25 52 3  o 31.17629 15.05891 -38.57674  28.36525 -38.57674  28.36525 ?          ?        31.17629 15.05891 ?        ?        ?         ?        
1 1 1 25 53 0  o 145.5519 13.67114 224.0854   39.14404 224.0854   39.14404 224.0854   39.14404 145.5519 13.67114 145.5519 13.67114 -0.000000 0.000000 
1 1 1 25 53 1  o 77.86902 18.77011 70.34581   28.93255 70.34581   28.93255 ?          ?        77.86902 18.77011 ?        ?        ?         ?        
1 1 1 26 0  0  f 144.2685 46.84301 267.7679   119.1340 267.7679   119.1340 267.7679   119.1340 144.2685 46.84301 144.2685 46.84301 -0.000000 0.000000 
1 1 1 26 0  2  o 65.87157 37.42003 60.13433   75.45156 60.13433   75.45156 60.13433   75.45156 65.87157 37.42003 65.87157 37.42003 -0.000000 0.000000 
1 1 1 26 0  3  o 150.0186 22.03357 235.9989   63.53815 235.9989   63.53815 235.9989   63.53815 150.0186 22.03357 150.0186 22.03357 -0.000000 0.000000 
1 1 1 26 0  4  o 63.31354 34.43495 58.99971   60.70163 58.99971   60.70163 58.99971   60.70163 63.31354 34.43495 63.31354 34.43495 -0.000000 0.000000 
1 1 1 26 0  5  o 99.03262 41.56620 142.3935   82.25922 142.3935   82.25922 142.3935   82.25922 99.03262 41.56620 99.03262 41.56620 -0.000000 0.000000 
1 1 1 26 0  7  o 89.78650 35.96237 115.1629   62.40355 115.1629   62.40355 115.1629   62.40355 89.78650 35.96237 89.78650 35.96237 -0.000000 0.000000 
1 1 1 26 0  8  o 172.5770 17.93321 310.8831   60.70163 310.8831   60.70163 310.8831   60.70163 172.5770 17.93321 172.5770 17.93321 -0.000000 0.000000 
1 1 1 26 0  9  o 33.25384 22.56263 -16.45185  43.11518 -16.45185  43.11518 -16.45185  43.11518 33.25384 22.56263 33.25384 22.56263 -0.000000 0.000000 
1 1 1 26 0  10 o 33.61160 22.71592 -14.18262  43.11518 -14.18262  43.11518 -14.18262  43.11518 33.61160 22.71592 33.61160 22.71592 -0.000000 0.000000 
1 1 1 26 0  11 o 164.9280 15.02522 283.6525   48.78823 283.6525   48.78823 283.6525   48.78823 164.9280 15.02522 164.9280 15.02522 -0.000000 0.000000 
1 1 1 26 0  12 o 81.80485 25.40456 87.36497   36.30752 87.36497   36.30752 87.36497   36.30752 81.80485 25.40456 81.80485 25.40456 -0.000000 0.000000 
1 1 1 26 0  13 o 215.8849 12.16891 479.3727   52.19205 479.3727   52.19205 479.3727   52.19205 215.8849 12.16891 215.8849 12.16891 -0.000000 0.000000 
1 1 1 26 0  14 o 57.85580 26.58986 53.32666   33.47099 53.32666   33.47099 53.32666   33.47099 57.85580 26.58986 57.85580 26.58986 -0.000000 0.000000 
1 1 1 26 1  0  o 158.0120 44.81247 309.7485   122.5379 309.7485   122.5379 309.7485   122.5379 158.0120 44.81247 158.0120 44.81247 -0.000000 0.000000 
1 1 1 26 1  1  o 134.6881 31.66649 195.1529   83.96114 195.1529   83.96114 ?          ?        134.6881 31.66649 ?        ?        ?         ?        
1 1 1 26 1  2  o 74.53143 27.45955 45.95170   53.89397 45.95170   53.89397 ?          ?        74.53143 27.45955 ?        ?        ?         ?        
1 1 1 26 1  3  o 168.1018 19.40493 286.4890   65.24007 286.4890   65.24007 ?          ?        168.1018 19.40493 ?        ?        ?         ?        
1 1 1 26 1  4  o 90.01431 29.08363 82.25922   59.56702 82.25922   59.56702 ?          ?        90.01431 29.08363 ?        ?        ?         ?        
1 1 1 26 1  5  o 312.3839 16.88927 988.2452   105.5187 988.2452   105.5187 ?          ?        312.3839 16.88927 ?        ?        ?         ?        
1 1 1 26 1  6  o 89.25334 31.85916 74.31695   72.04772 74.31695   72.04772 ?          ?        89.25334 31.85916 ?        ?        ?         ?        
1 1 1 26 1  7  o 109.3376 25.15344 129.3455   53.89397 129.3455   53.89397 ?          ?        109.3376 25.15344 ?        ?        ?         ?        
1 1 1 26 1  8  o 48.12140 21.51366 -15.88454  42.54787 -15.88454  42.54787 ?          ?        48.12140 21.51366 ?        ?        ?         ?        
1 1 1 26 1  9  o 133.6436 12.31024 181.5376   32.90369 181.5376   32.90369 ?          ?        133.6436 12.31024 ?        ?        ?         ?        
1 1 1 26 1  10 f 81.30825 19.42515 72.04772   31.20177 72.04772   31.20177 ?          ?        81.30825 19.42515 ?        ?        ?         ?        
1 1 1 26 1  11 o 85.92387 17.44360 79.99000   28.93255 79.99000   28.93255 ?          ?        85.92387 17.44360 ?        ?        ?         ?        
1 1 1 26 1  12 o 73.91898 17.83150 60.70163   26.09603 60.70163   26.09603 ?          ?        73.91898 17.83150 ?        ?        ?         ?        
1 1 1 26 1  13 o 61.84227 18.89680 42.54787   25.52872 42.54787   25.52872 ?          ?        61.84227 18.89680 ?        ?        ?         ?        
1 1 1 26 1  14 o 51.74998 18.13864 27.79794   23.25950 27.79794   23.25950 ?          ?        51.74998 18.13864 ?        ?        ?         ?        
1 1 1 26 2  0  o 79.69434 44.99939 90.76879   108.3553 90.76879   108.3553 90.76879   108.3553 79.69434 44.99939 79.69434 44.99939 -0.000000 0.000000 
1 1 1 26 2  2  o 132.3675 26.43610 185.5087   67.50929 185.5087   67.50929 ?          ?        132.3675 26.43610 ?        ?        ?         ?        
1 1 1 26 2  3  o 73.26004 25.36962 49.92284   45.38440 49.92284   45.38440 ?          ?        73.26004 25.36962 ?        ?        ?         ?        
1 1 1 26 2  4  o 206.4950 14.01126 430.0172   57.86510 430.0172   57.86510 ?          ?        206.4950 14.01126 ?        ?        ?         ?        
1 1 1 26 2  5  o 182.6707 14.90696 336.9791   54.46128 336.9791   54.46128 ?          ?        182.6707 14.90696 ?        ?        ?         ?        
1 1 1 26 2  6  o 160.5962 16.07284 261.5276   51.62476 261.5276   51.62476 ?          ?        160.5962 16.07284 ?        ?        ?         ?        
1 1 1 26 2  7  o 39.41618 18.83210 -53.32666  41.41326 -53.32666  41.41326 ?          ?        39.41618 18.83210 ?        ?        ?         ?        
1 1 1 26 2  8  o 112.2485 16.93094 128.7782   38.00943 128.7782   38.00943 ?          ?        112.2485 16.93094 ?        ?        ?         ?        
1 1 1 26 2  9  o 227.9379 12.69318 528.7282   57.86510 528.7282   57.86510 ?          ?        227.9379 12.69318 ?        ?        ?         ?        
1 1 1 26 2  10 o 153.3818 12.20553 239.9700   37.44213 239.9700   37.44213 ?          ?        153.3818 12.20553 ?        ?        ?         ?        
1 1 1 26 2  11 o 87.04295 15.90737 81.12460   26.66333 81.12460   26.66333 ?          ?        87.04295 15.90737 ?        ?        ?         ?        
1 1 1 26 2  12 o 141.8434 10.19876 205.9317   28.93255 205.9317   28.93255 ?          ?        141.8434 10.19876 ?        ?        ?         ?        
1 1 1 26 2  13 o 48.90408 19.16020 18.72106   27.23064 18.72106   27.23064 ?          ?        48.90408 19.16020 ?        ?        ?         ?        
1 1 1 26 2  14 o 38.94680 16.89983 0.5673050  24.39412 0.5673050  24.39412 ?          ?        38.94680 16.89983 ?        ?        ?         ?        
1 1 1 26 3  1  o 249.7687 20.89616 633.6796   104.3841 633.6796   104.3841 ?          ?        249.7687 20.89616 ?        ?        ?         ?        
1 1 1 26 3  2  o 108.2986 36.02986 117.9994   91.33610 117.9994   91.33610 ?          ?        108.2986 36.02986 ?        ?        ?         ?        
1 1 1 26 3  3  o 85.16077 31.57821 60.13433   71.48043 60.13433   71.48043 ?          ?        85.16077 31.57821 ?        ?        ?         ?        
1 1 1 26 3  4  o 115.9533 24.48779 142.9609   55.02858 142.9609   55.02858 ?          ?        115.9533 24.48779 ?        ?        ?         ?        
1 1 1 26 3  5  o 169.9536 14.68720 291.5948   49.92284 291.5948   49.92284 ?          ?        169.9536 14.68720 ?        ?        ?         ?        
1 1 1 26 3  6  o 101.7571 24.96382 111.1918   50.49014 111.1918   50.49014 ?          ?        101.7571 24.96382 ?        ?        ?         ?        
1 1 1 26 3  7  o 75.41029 25.23849 56.73050   44.81709 56.73050   44.81709 ?          ?        75.41029 25.23849 ?        ?        ?         ?        
1 1 1 26 3  8  o 114.4442 16.85395 133.8840   38.57674 133.8840   38.57674 ?          ?        114.4442 16.85395 ?        ?        ?         ?        
1 1 1 26 3  9  o 122.7305 14.79156 154.3070   36.30752 154.3070   36.30752 ?          ?        122.7305 14.79156 ?        ?        ?         ?        
1 1 1 26 3  10 o 59.30708 21.49411 32.33638   32.90369 32.33638   32.90369 ?          ?        59.30708 21.49411 ?        ?        ?         ?        
1 1 1 26 3  11 o 84.69535 17.34334 77.72078   28.36525 77.72078   28.36525 ?          ?        84.69535 17.34334 ?        ?        ?         ?        
1 1 1 26 3  12 o 55.38928 19.23203 31.20177   26.09603 31.20177   26.09603 ?          ?        55.38928 19.23203 ?        ?        ?         ?        
1 1 1 26 3  13 o 58.69081 20.44119 36.30752   29.49986 36.30752   29.49986 ?          ?        58.69081 20.44119 ?        ?        ?         ?        
1 1 1 26 3  14 o 85.81392 15.43660 81.12460   25.52872 81.12460   25.52872 ?          ?        85.81392 15.43660 ?        ?        ?         ?        
1 1 1 26 4  1  o 218.9158 20.86101 486.7477   91.33610 486.7477   91.33610 ?          ?        218.9158 20.86101 ?        ?        ?         ?        
1 1 1 26 4  2  o 133.2600 21.07278 180.4030   56.16319 180.4030   56.16319 ?          ?        133.2600 21.07278 ?        ?        ?         ?        
1 1 1 26 4  3  o 213.7272 18.04952 462.3535   77.15348 462.3535   77.15348 ?          ?        213.7272 18.04952 ?        ?        ?         ?        
1 1 1 26 4  4  o 77.42944 27.95155 52.75936   55.59589 52.75936   55.59589 ?          ?        77.42944 27.95155 ?        ?        ?         ?        
1 1 1 26 4  5  o 116.7384 24.14498 144.6628   54.46128 144.6628   54.46128 ?          ?        116.7384 24.14498 ?        ?        ?         ?        
1 1 1 26 4  6  o 142.0180 15.17947 204.2298   43.11518 204.2298   43.11518 ?          ?        142.0180 15.17947 ?        ?        ?         ?        
1 1 1 26 4  7  o 135.9583 16.48193 188.3452   44.81709 188.3452   44.81709 ?          ?        135.9583 16.48193 ?        ?        ?         ?        
1 1 1 26 4  8  o 44.95243 20.74638 -32.33638  43.68248 -32.33638  43.68248 ?          ?        44.95243 20.74638 ?        ?        ?         ?        
1 1 1 26 4  9  o 221.5331 10.49934 496.9591   46.51900 496.9591   46.51900 ?          ?        221.5331 10.49934 ?        ?        ?         ?        
1 1 1 26 4  10 o 91.93152 19.42232 91.90340   34.60560 91.90340   34.60560 ?          ?        91.93152 19.42232 ?        ?        ?         ?        
1 1 1 26 4  11 o 129.5059 12.26549 171.8934   31.76908 171.8934   31.76908 ?          ?        129.5059 12.26549 ?        ?        ?         ?        
1 1 1 26 4  12 o 80.71552 16.72814 71.48043   26.09603 71.48043   26.09603 ?          ?        80.71552 16.72814 ?        ?        ?         ?        
1 1 1 26 4  13 o 159.6868 9.769677 261.5276   31.20177 261.5276   31.20177 ?          ?        159.6868 9.769677 ?        ?        ?         ?        
1 1 1 26 4  14 o 65.16248 19.43826 48.78823   27.23064 48.78823   27.23064 ?          ?        65.16248 19.43826 ?        ?        ?         ?        
1 1 1 26 5  0  o 267.7265 23.88029 740.9003   125.9417 740.9003   125.9417 740.9003   125.9417 267.7265 23.88029 267.7265 23.88029 -0.000000 0.000000 
1 1 1 26 5  1  o 202.7551 22.66366 418.6711   91.90340 418.6711   91.90340 ?          ?        202.7551 22.66366 ?        ?        ?         ?        
1 1 1 26 5  2  o 157.3319 34.99089 267.7679   107.2206 267.7679   107.2206 ?          ?        157.3319 34.99089 ?        ?        ?         ?        
1 1 1 26 5  3  o 159.0192 17.65925 255.8545   56.16319 255.8545   56.16319 ?          ?        159.0192 17.65925 ?        ?        ?         ?        
1 1 1 26 5  4  o 238.5935 14.50400 574.6800   69.21120 574.6800   69.21120 ?          ?        238.5935 14.50400 ?        ?        ?         ?        
1 1 1 26 5  5  o 168.2172 16.86228 286.4890   56.73050 286.4890   56.73050 ?          ?        168.2172 16.86228 ?        ?        ?         ?        
1 1 1 26 5  6  o 133.7881 16.11323 181.5376   43.11518 181.5376   43.11518 ?          ?        133.7881 16.11323 ?        ?        ?         ?        
1 1 1 26 5  7  o 164.9166 11.69583 274.5756   38.57674 274.5756   38.57674 ?          ?        164.9166 11.69583 ?        ?        ?         ?        
1 1 1 26 5  8  o 131.7095 15.72144 176.9992   41.41326 176.9992   41.41326 ?          ?        131.7095 15.72144 ?        ?        ?         ?        
1 1 1 26 5  9  o 104.3538 14.94999 111.7591   31.20177 111.7591   31.20177 ?          ?        104.3538 14.94999 ?        ?        ?         ?        
1 1 1 26 5  10 o 75.83599 20.46894 62.97085   31.76908 62.97085   31.76908 ?          ?        75.83599 20.46894 ?        ?        ?         ?        
1 1 1 26 5  11 o 209.1591 10.03556 444.7671   41.98057 444.7671   41.98057 ?          ?        209.1591 10.03556 ?        ?        ?         ?        
1 1 1 26 5  12 o 90.21745 14.14844 85.09574   25.52872 85.09574   25.52872 ?          ?        90.21745 14.14844 ?        ?        ?         ?        
1 1 1 26 5  13 o 38.37009 16.87028 -2.836525  24.96142 -2.836525  24.96142 ?          ?        38.37009 16.87028 ?        ?        ?         ?        
1 1 1 26 5  14 o 66.66418 18.77589 51.05745   26.09603 51.05745   26.09603 ?          ?        66.66418 18.77589 ?        ?        ?         ?        
1 1 1 26 6  0  o 142.2627 31.24735 232.0277   77.72078 232.0277   77.72078 232.0277   77.72078 142.2627 31.24735 142.2627 31.24735 -0.000000 0.000000 
1 1 1 26 6  1  o 331.6015 15.05507 1108.514   99.84568 1108.514   99.84568 ?          ?        331.6015 15.05507 ?        ?        ?         ?        
1 1 1 26 6  2  o 207.0041 32.47551 444.7671   134.4513 444.7671   134.4513 ?          ?        207.0041 32.47551 ?        ?        ?         ?        
1 1 1 26 6  3  o 386.4167 16.00248 1507.896   123.6725 1507.896   123.6725 ?          ?        386.4167 16.00248 ?        ?        ?         ?        
1 1 1 26 6  4  o 148.0235 18.01291 222.3835   53.32666 222.3835   53.32666 ?          ?        148.0235 18.01291 ?        ?        ?         ?        
1 1 1 26 6  5  o 183.1882 15.79390 339.2484   57.86510 339.2484   57.86510 ?          ?        183.1882 15.79390 ?        ?        ?         ?        
1 1 1 26 6  6  o 143.8689 14.39271 209.3355   41.41326 209.3355   41.41326 ?          ?        143.8689 14.39271 ?        ?        ?         ?        
1 1 1 26 6  7  o 259.8779 13.20695 683.6025   68.64390 683.6025   68.64390 ?          ?        259.8779 13.20695 ?        ?        ?         ?        
1 1 1 26 6  8  o 75.06854 24.06649 58.43241   40.84595 58.43241   40.84595 ?          ?        75.06854 24.06649 ?        ?        ?         ?        
1 1 1 26 6  9  o 241.1317 9.881243 588.2952   47.65361 588.2952   47.65361 ?          ?        241.1317 9.881243 ?        ?        ?         ?        
1 1 1 26 6  10 o 143.5457 11.46105 209.9028   32.90369 209.9028   32.90369 ?          ?        143.5457 11.46105 ?        ?        ?         ?        
1 1 1 26 6  11 o 136.4646 12.67933 191.1818   34.60560 191.1818   34.60560 ?          ?        136.4646 12.67933 ?        ?        ?         ?        
1 1 1 26 6  12 o 73.54363 17.88836 60.13433   26.09603 60.13433   26.09603 ?          ?        73.54363 17.88836 ?        ?        ?         ?        
1 1 1 26 6  13 o 117.0745 13.08333 143.5282   30.63447 143.5282   30.63447 ?          ?        117.0745 13.08333 ?        ?        ?         ?        
1 1 1 26 6  14 o 39.58978 16.70750 5.105744   22.69220 5.105744   22.69220 ?          ?        39.58978 16.70750 ?        ?        ?         ?        
1 1 1 26 7  1  o 205.9035 16.94447 428.3152   69.77851 428.3152   69.77851 ?          ?        205.9035 16.94447 ?        ?        ?         ?        
1 1 1 26 7  2  o 177.7795 32.13094 336.9791   110.0572 336.9791   110.0572 ?          ?        177.7795 32.13094 ?        ?        ?         ?        
1 1 1 26 7  3  o 262.2608 14.16852 693.2466   74.31695 693.2466   74.31695 ?          ?        262.2608 14.16852 ?        ?        ?         ?        
1 1 1 26 7  4  o 77.34657 26.48558 57.29780   49.35553 57.29780   49.35553 ?          ?        77.34657 26.48558 ?        ?        ?         ?        
1 1 1 26 7  5  o 212.1434 13.77191 453.8440   58.43241 453.8440   58.43241 ?          ?        212.1434 13.77191 ?        ?        ?         ?        
1 1 1 26 7  6  o 229.5645 10.87338 530.4301   49.92284 530.4301   49.92284 ?          ?        229.5645 10.87338 ?        ?        ?         ?        
1 1 1 26 7  7  o 201.6143 11.39594 410.1615   45.95170 410.1615   45.95170 ?          ?        201.6143 11.39594 ?        ?        ?         ?        
1 1 1 26 7  8  o 101.7491 21.06253 111.1918   41.41326 111.1918   41.41326 ?          ?        101.7491 21.06253 ?        ?        ?         ?        
1 1 1 26 7  9  o 170.4159 11.31841 294.9986   38.57674 294.9986   38.57674 ?          ?        170.4159 11.31841 ?        ?        ?         ?        
1 1 1 26 7  10 o 80.89288 19.19817 71.48043   30.63447 71.48043   30.63447 ?          ?        80.89288 19.19817 ?        ?        ?         ?        
1 1 1 26 7  11 o 122.1701 13.46634 153.7396   32.90369 153.7396   32.90369 ?          ?        122.1701 13.46634 ?        ?        ?         ?        
1 1 1 26 7  12 o 91.79362 13.90550 87.93227   25.52872 87.93227   25.52872 ?          ?        91.79362 13.90550 ?        ?        ?         ?        
1 1 1 26 7  13 o 83.69380 16.16716 77.15348   26.09603 77.15348   26.09603 ?          ?        83.69380 16.16716 ?        ?        ?         ?        
1 1 1 26 7  14 o 50.24923 18.28288 24.96142   23.82681 24.96142   23.82681 ?          ?        50.24923 18.28288 ?        ?        ?         ?        
1 1 1 26 8  1  o 164.3776 18.29152 273.4410   60.13433 273.4410   60.13433 ?          ?        164.3776 18.29152 ?        ?        ?         ?        
1 1 1 26 8  2  o 257.3021 24.14278 676.2275   124.2398 676.2275   124.2398 ?          ?        257.3021 24.14278 ?        ?        ?         ?        
1 1 1 26 8  3  f 200.9453 14.68054 407.3250   58.99971 407.3250   58.99971 ?          ?        200.9453 14.68054 ?        ?        ?         ?        
1 1 1 26 8  4  o 156.0407 18.35989 247.3450   57.29780 247.3450   57.29780 ?          ?        156.0407 18.35989 ?        ?        ?         ?        
1 1 1 26 8  5  o 76.08629 25.39771 56.73050   45.38440 56.73050   45.38440 ?          ?        76.08629 25.39771 ?        ?        ?         ?        
1 1 1 26 8  6  o 206.1752 11.69416 428.3152   48.22092 428.3152   48.22092 ?          ?        206.1752 11.69416 ?        ?        ?         ?        
1 1 1 26 8  7  f 120.5687 12.46889 146.9320   30.06716 146.9320   30.06716 ?          ?        120.5687 12.46889 ?        ?        ?         ?        
1 1 1 26 8  8  o 170.7017 12.62881 295.5659   43.11518 295.5659   43.11518 ?          ?        170.7017 12.62881 ?        ?        ?         ?        
1 1 1 26 8  9  o 148.3159 12.23993 224.0854   36.30752 224.0854   36.30752 ?          ?        148.3159 12.23993 ?        ?        ?         ?        
1 1 1 26 8  10 o 50.33723 20.24085 14.74993   31.20177 14.74993   31.20177 ?          ?        50.33723 20.24085 ?        ?        ?         ?        
1 1 1 26 8  11 o 191.5768 9.179843 372.1520   35.17290 372.1520   35.17290 ?          ?        191.5768 9.179843 ?        ?        ?         ?        
1 1 1 26 8  12 o 64.05141 18.46847 45.38440   24.96142 45.38440   24.96142 ?          ?        64.05141 18.46847 ?        ?        ?         ?        
1 1 1 26 8  13 o 86.69907 15.61980 82.25922   26.09603 82.25922   26.09603 ?          ?        86.69907 15.61980 ?        ?        ?         ?        
1 1 1 26 8  14 o 191.2436 9.047518 375.5559   34.60560 375.5559   34.60560 ?          ?        191.2436 9.047518 ?        ?        ?         ?        
1 1 1 26 9  0  o 205.4450 38.27854 470.2958   141.8262 470.2958   141.8262 470.2958   141.8262 205.4450 38.27854 205.4450 38.27854 -0.000000 0.000000 
1 1 1 26 9  1  o 322.3279 14.34420 1046.678   92.47070 1046.678   92.47070 ?          ?        322.3279 14.34420 ?        ?        ?         ?        
1 1 1 26 9  2  o 158.0274 17.05209 252.4507   53.89397 252.4507   53.89397 ?          ?        158.0274 17.05209 ?        ?        ?         ?        
1 1 1 26 9  3  o 282.6005 13.75100 805.0057   77.72078 805.0057   77.72078 ?          ?        282.6005 13.75100 ?        ?        ?         ?        
1 1 1 26 9  4  o 186.8086 15.48781 352.8637   57.86510 352.8637   57.86510 ?          ?        186.8086 15.48781 ?        ?        ?         ?        
1 1 1 26 9  5  o 289.0563 13.14949 842.4479   76.01886 842.4479   76.01886 ?          ?        289.0563 13.14949 ?        ?        ?         ?        
1 1 1 26 9  6  o 228.6502 10.17253 525.8917   46.51900 525.8917   46.51900 ?          ?        228.6502 10.17253 ?        ?        ?         ?        
1 1 1 26 9  7  o 285.8468 8.831678 821.4576   50.49014 821.4576   50.49014 ?          ?        285.8468 8.831678 ?        ?        ?         ?        
1 1 1 26 9  8  f 48.92330 21.24084 -3.403830  38.57674 -3.403830  38.57674 ?          ?        48.92330 21.24084 ?        ?        ?         ?        
1 1 1 26 9  9  o 35.95847 16.97128 -35.17290  32.33638 -35.17290  32.33638 ?          ?        35.95847 16.97128 ?        ?        ?         ?        
1 1 1 26 9  10 o 149.0799 11.22586 226.3547   33.47099 226.3547   33.47099 ?          ?        149.0799 11.22586 ?        ?        ?         ?        
1 1 1 26 9  11 o 67.97142 18.64379 50.49014   26.09603 50.49014   26.09603 ?          ?        67.97142 18.64379 ?        ?        ?         ?        
1 1 1 26 9  12 o 93.75679 14.21941 91.90340   26.66333 91.90340   26.66333 ?          ?        93.75679 14.21941 ?        ?        ?         ?        
1 1 1 26 9  13 o 102.2538 13.03782 109.4899   26.66333 109.4899   26.66333 ?          ?        102.2538 13.03782 ?        ?        ?         ?        
1 1 1 26 9  14 o 64.73367 18.68105 48.22092   25.52872 48.22092   25.52872 ?          ?        64.73367 18.68105 ?        ?        ?         ?        
1 1 1 26 10 0  o 213.7981 20.23736 472.5651   85.09574 472.5651   85.09574 472.5651   85.09574 213.7981 20.23736 213.7981 20.23736 -0.000000 0.000000 
1 1 1 26 10 1  o 203.8625 15.44444 419.2384   62.97085 419.2384   62.97085 ?          ?        203.8625 15.44444 ?        ?        ?         ?        
1 1 1 26 10 2  o 363.0206 13.36138 1326.926   97.00916 1326.926   97.00916 ?          ?        363.0206 13.36138 ?        ?        ?         ?        
1 1 1 26 10 3  o 80.12173 24.37848 66.37468   42.54787 66.37468   42.54787 ?          ?        80.12173 24.37848 ?        ?        ?         ?        
1 1 1 26 10 4  o 204.9019 13.28960 423.2095   54.46128 423.2095   54.46128 ?          ?        204.9019 13.28960 ?        ?        ?         ?        
1 1 1 26 10 5  o 205.0279 13.69648 424.3441   56.16319 424.3441   56.16319 ?          ?        205.0279 13.69648 ?        ?        ?         ?        
1 1 1 26 10 6  o 143.2160 12.67579 207.0663   36.30752 207.0663   36.30752 ?          ?        143.2160 12.67579 ?        ?        ?         ?        
1 1 1 26 10 7  o 152.6081 12.63915 235.4316   38.57674 235.4316   38.57674 ?          ?        152.6081 12.63915 ?        ?        ?         ?        
1 1 1 26 10 8  o 136.6467 14.11550 190.0471   38.57674 190.0471   38.57674 ?          ?        136.6467 14.11550 ?        ?        ?         ?        
1 1 1 26 10 9  o 70.47552 20.99015 53.32666   31.76908 53.32666   31.76908 ?          ?        70.47552 20.99015 ?        ?        ?         ?        
1 1 1 26 10 10 o 70.39837 20.51227 53.89397   30.63447 53.89397   30.63447 ?          ?        70.39837 20.51227 ?        ?        ?         ?        
1 1 1 26 10 11 o 48.34414 18.95574 16.45185   26.66333 16.45185   26.66333 ?          ?        48.34414 18.95574 ?        ?        ?         ?        
1 1 1 26 10 12 o 106.2992 13.87586 117.9994   29.49986 117.9994   29.49986 ?          ?        106.2992 13.87586 ?        ?        ?         ?        
1 1 1 26 10 13 o 73.39081 18.84328 61.26894   27.79794 61.26894   27.79794 ?          ?        73.39081 18.84328 ?        ?        ?         ?        
1 1 1 26 10 14 o 147.1919 10.02089 224.0854   29.49986 224.0854   29.49986 ?          ?        147.1919 10.02089 ?        ?        ?         ?        
1 1 1 26 11 0  o 122.1002 19.94318 159.4127   45.38440 159.4127   45.38440 159.4127   45.38440 122.1002 19.94318 122.1002 19.94318 -0.000000 0.000000 
1 1 1 26 11 1  o 288.0049 13.39447 835.0729   77.15348 835.0729   77.15348 ?          ?        288.0049 13.39447 ?        ?        ?         ?        
1 1 1 26 11 2  o 256.3975 14.05001 662.6122   72.04772 662.6122   72.04772 ?          ?        256.3975 14.05001 ?        ?        ?         ?        
1 1 1 26 11 3  o 111.0444 20.15641 129.3455   43.11518 129.3455   43.11518 ?          ?        111.0444 20.15641 ?        ?        ?         ?        
1 1 1 26 11 4  o 118.2488 17.99083 141.8262   42.54787 141.8262   42.54787 ?          ?        118.2488 17.99083 ?        ?        ?         ?        
1 1 1 26 11 5  o 246.4771 11.96860 612.1221   58.99971 612.1221   58.99971 ?          ?        246.4771 11.96860 ?        ?        ?         ?        
1 1 1 26 11 6  o 46.37480 19.67935 1.701915   31.76908 1.701915   31.76908 ?          ?        46.37480 19.67935 ?        ?        ?         ?        
1 1 1 26 11 7  o 194.0184 10.96491 379.5270   42.54787 379.5270   42.54787 ?          ?        194.0184 10.96491 ?        ?        ?         ?        
1 1 1 26 11 8  o 190.9738 10.39707 368.1809   39.71135 368.1809   39.71135 ?          ?        190.9738 10.39707 ?        ?        ?         ?        
1 1 1 26 11 9  o 186.8819 9.865808 353.4310   36.87482 353.4310   36.87482 ?          ?        186.8819 9.865808 ?        ?        ?         ?        
1 1 1 26 11 10 o 105.2904 15.08641 114.5956   31.76908 114.5956   31.76908 ?          ?        105.2904 15.08641 ?        ?        ?         ?        
1 1 1 26 11 11 o 142.7007 10.73382 207.6336   30.63447 207.6336   30.63447 ?          ?        142.7007 10.73382 ?        ?        ?         ?        
1 1 1 26 11 12 o 101.6519 13.39406 107.7879   27.23064 107.7879   27.23064 ?          ?        101.6519 13.39406 ?        ?        ?         ?        
1 1 1 26 11 13 o 78.36089 16.45112 68.07660   24.96142 68.07660   24.96142 ?          ?        78.36089 16.45112 ?        ?        ?         ?        
1 1 1 26 11 14 f 56.28590 20.00034 34.03830   28.36525 34.03830   28.36525 ?          ?        56.28590 20.00034 ?        ?        ?         ?        
1 1 1 26 12 0  o 255.7824 15.87339 664.8814   80.55730 664.8814   80.55730 664.8814   80.55730 255.7824 15.87339 255.7824 15.87339 -0.000000 0.000000 
1 1 1 26 12 1  o 149.6700 11.75015 225.2201   35.17290 225.2201   35.17290 ?          ?        149.6700 11.75015 ?        ?        ?         ?        
1 1 1 26 12 2  o 186.2455 11.72713 348.8925   43.68248 348.8925   43.68248 ?          ?        186.2455 11.72713 ?        ?        ?         ?        
1 1 1 26 12 3  o 112.6847 17.36884 128.7782   39.14404 128.7782   39.14404 ?          ?        112.6847 17.36884 ?        ?        ?         ?        
1 1 1 26 12 4  o 313.4523 10.94966 987.6780   68.64390 987.6780   68.64390 ?          ?        313.4523 10.94966 ?        ?        ?         ?        
1 1 1 26 12 5  o 158.2858 11.82738 252.4507   37.44213 252.4507   37.44213 ?          ?        158.2858 11.82738 ?        ?        ?         ?        
1 1 1 26 12 6  o 137.0617 11.38238 189.4799   31.20177 189.4799   31.20177 ?          ?        137.0617 11.38238 ?        ?        ?         ?        
1 1 1 26 12 7  o 154.5496 15.41693 242.8065   47.65361 242.8065   47.65361 ?          ?        154.5496 15.41693 ?        ?        ?         ?        
1 1 1 26 12 8  o 210.2193 10.79454 446.4690   45.38440 446.4690   45.38440 ?          ?        210.2193 10.79454 ?        ?        ?         ?        
1 1 1 26 12 9  o 206.8918 9.597131 432.8537   39.71135 432.8537   39.71135 ?          ?        206.8918 9.597131 ?        ?        ?         ?        
1 1 1 26 12 10 o 66.75846 20.99188 47.65361   31.20177 47.65361   31.20177 ?          ?        66.75846 20.99188 ?        ?        ?         ?        
1 1 1 26 12 11 o 104.5893 13.56030 112.8937   28.36525 112.8937   28.36525 ?          ?        104.5893 13.56030 ?        ?        ?         ?        
1 1 1 26 12 12 o 76.74683 19.53380 66.94199   30.06716 66.94199   30.06716 ?          ?        76.74683 19.53380 ?        ?        ?         ?        
1 1 1 26 12 13 o 30.60898 14.62335 -29.49986  24.96142 -29.49986  24.96142 ?          ?        30.60898 14.62335 ?        ?        ?         ?        
1 1 1 26 12 14 o 68.39892 18.88258 54.46128   26.66333 54.46128   26.66333 ?          ?        68.39892 18.88258 ?        ?        ?         ?        
1 1 1 26 13 0  o 636.6755 29.26974 4148.134   371.0175 4148.134   371.0175 4148.134   371.0175 636.6755 29.26974 636.6755 29.26974 -0.000000 0.000000 
1 1 1 26 13 1  o 132.7294 16.45547 178.1338   43.68248 178.1338   43.68248 ?          ?        132.7294 16.45547 ?        ?        ?         ?        
1 1 1 26 13 2  o 266.6703 10.74319 714.8043   57.29780 714.8043   57.29780 ?          ?        266.6703 10.74319 ?        ?        ?         ?        
1 1 1 26 13 3  o 93.96537 19.37780 93.03801   35.17290 93.03801   35.17290 ?          ?        93.96537 19.37780 ?        ?        ?         ?        
1 1 1 26 13 4  o 291.6218 10.11579 854.3613   58.99971 854.3613   58.99971 ?          ?        291.6218 10.11579 ?        ?        ?         ?        
1 1 1 26 13 5  o 44.62437 18.95120 1.134610   29.49986 1.134610   29.49986 ?          ?        44.62437 18.95120 ?        ?        ?         ?        
1 1 1 26 13 6  o 266.4413 10.53951 715.3715   56.16319 715.3715   56.16319 ?          ?        266.4413 10.53951 ?        ?        ?         ?        
1 1 1 26 13 7  o 120.4090 18.61035 148.6339   44.81709 148.6339   44.81709 ?          ?        120.4090 18.61035 ?        ?        ?         ?        
1 1 1 26 13 8  o 59.17070 22.38162 27.79794   36.30752 27.79794   36.30752 ?          ?        59.17070 22.38162 ?        ?        ?         ?        
1 1 1 26 13 9  o 85.14571 19.97780 78.85539   33.47099 78.85539   33.47099 ?          ?        85.14571 19.97780 ?        ?        ?         ?        
1 1 1 26 13 10 o 50.42078 20.14655 15.88454   30.63447 15.88454   30.63447 ?          ?        50.42078 20.14655 ?        ?        ?         ?        
1 1 1 26 13 11 o 51.02673 19.64441 20.42298   28.36525 20.42298   28.36525 ?          ?        51.02673 19.64441 ?        ?        ?         ?        
1 1 1 26 13 12 o 73.68364 19.37472 61.83624   28.93255 61.83624   28.93255 ?          ?        73.68364 19.37472 ?        ?        ?         ?        
1 1 1 26 13 13 o 59.34771 18.79218 39.14404   24.96142 39.14404   24.96142 ?          ?        59.34771 18.79218 ?        ?        ?         ?        
1 1 1 26 13 14 o 69.98597 17.46479 56.16319   24.39412 56.16319   24.39412 ?          ?        69.98597 17.46479 ?        ?        ?         ?        
1 1 1 26 14 0  o 437.9239 22.99863 1954.933   200.2587 1954.933   200.2587 1954.933   200.2587 437.9239 22.99863 437.9239 22.99863 -0.000000 0.000000 
1 1 1 26 14 1  o 151.0716 16.33515 230.8931   49.35553 230.8931   49.35553 ?          ?        151.0716 16.33515 ?        ?        ?         ?        
1 1 1 26 14 2  o 240.5770 10.02193 581.4876   48.22092 581.4876   48.22092 ?          ?        240.5770 10.02193 ?        ?        ?         ?        
1 1 1 26 14 3  o 163.5036 13.35826 269.4698   43.68248 269.4698   43.68248 ?          ?        163.5036 13.35826 ?        ?        ?         ?        
1 1 1 26 14 4  o 272.9993 10.70193 749.4099   58.43241 749.4099   58.43241 ?          ?        272.9993 10.70193 ?        ?        ?         ?        
1 1 1 26 14 5  f 48.00993 19.88561 6.807660   31.20177 6.807660   31.20177 ?          ?        48.00993 19.88561 ?        ?        ?         ?        
1 1 1 26 14 6  o 164.8207 12.39103 274.5756   40.84595 274.5756   40.84595 ?          ?        164.8207 12.39103 ?        ?        ?         ?        
1 1 1 26 14 7  o 186.1329 10.51508 349.4599   39.14404 349.4599   39.14404 ?          ?        186.1329 10.51508 ?        ?        ?         ?        
1 1 1 26 14 8  o 42.50003 19.18436 -15.88454  34.60560 -15.88454  34.60560 ?          ?        42.50003 19.18436 ?        ?        ?         ?        
1 1 1 26 14 9  o 158.0676 10.94646 253.5853   34.60560 253.5853   34.60560 ?          ?        158.0676 10.94646 ?        ?        ?         ?        
1 1 1 26 14 10 o 103.5746 13.96702 110.6245   28.93255 110.6245   28.93255 ?          ?        103.5746 13.96702 ?        ?        ?         ?        
1 1 1 26 14 11 o 120.7937 12.68049 150.3358   30.63447 150.3358   30.63447 ?          ?        120.7937 12.68049 ?        ?        ?         ?        
1 1 1 26 14 12 o 117.7082 12.28995 144.0954   28.93255 144.0954   28.93255 ?          ?        117.7082 12.28995 ?        ?        ?         ?        
1 1 1 26 14 13 o 78.49736 17.09765 69.21120   26.09603 69.21120   26.09603 ?          ?        78.49736 17.09765 ?        ?        ?         ?        
1 1 1 26 14 14 o 80.13654 16.81859 72.61504   26.09603 72.61504   26.09603 ?          ?        80.13654 16.81859 ?        ?        ?         ?        
1 1 1 26 15 0  o 171.8845 15.93326 304.6428   53.89397 304.6428   53.89397 304.6428   53.89397 171.8845 15.93326 171.8845 15.93326 -0.000000 0.000000 
1 1 1 26 15 1  o 325.3073 11.59697 1064.831   75.45156 1064.831   75.45156 ?          ?        325.3073 11.59697 ?        ?        ?         ?        
1 1 1 26 15 2  o 314.4958 11.90545 995.6202   74.88425 995.6202   74.88425 ?          ?        314.4958 11.90545 ?        ?        ?         ?        
1 1 1 26 15 3  o 150.4567 15.08221 228.6239   45.38440 228.6239   45.38440 ?          ?        150.4567 15.08221 ?        ?        ?         ?        
1 1 1 26 15 4  o 195.3060 11.47356 384.0654   44.81709 384.0654   44.81709 ?          ?        195.3060 11.47356 ?        ?        ?         ?        
1 1 1 26 15 5  o 46.66349 20.27124 -4.538440  35.17290 -4.538440  35.17290 ?          ?        46.66349 20.27124 ?        ?        ?         ?        
1 1 1 26 15 6  o 127.1776 14.05130 163.9511   35.74022 163.9511   35.74022 ?          ?        127.1776 14.05130 ?        ?        ?         ?        
1 1 1 26 15 7  o 41.96216 18.90839 -15.31723  33.47099 -15.31723  33.47099 ?          ?        41.96216 18.90839 ?        ?        ?         ?        
1 1 1 26 15 8  o 35.58060 16.65541 -27.23064  29.49986 -27.23064  29.49986 ?          ?        35.58060 16.65541 ?        ?        ?         ?        
1 1 1 26 15 9  o 72.29015 20.33759 56.73050   30.63447 56.73050   30.63447 ?          ?        72.29015 20.33759 ?        ?        ?         ?        
1 1 1 26 15 10 o 45.17635 19.15656 3.971134   30.06716 3.971134   30.06716 ?          ?        45.17635 19.15656 ?        ?        ?         ?        
1 1 1 26 15 11 o 39.39987 17.59145 -8.509575  28.36525 -8.509575  28.36525 ?          ?        39.39987 17.59145 ?        ?        ?         ?        
1 1 1 26 15 12 o 51.89337 19.27763 24.96142   26.66333 24.96142   26.66333 ?          ?        51.89337 19.27763 ?        ?        ?         ?        
1 1 1 26 15 13 o 59.25339 19.25878 39.14404   26.09603 39.14404   26.09603 ?          ?        59.25339 19.25878 ?        ?        ?         ?        
1 1 1 26 16 0  o 161.9027 16.42369 271.7391   52.19205 271.7391   52.19205 271.7391   52.19205 161.9027 16.42369 161.9027 16.42369 -0.000000 0.000000 
1 1 1 26 16 1  f 138.2355 11.69612 192.3164   32.33638 192.3164   32.33638 ?          ?        138.2355 11.69612 ?        ?        ?         ?        
1 1 1 26 16 2  o 190.8862 12.77940 367.0463   48.78823 367.0463   48.78823 ?          ?        190.8862 12.77940 ?        ?        ?         ?        
1 1 1 26 16 3  o 177.6949 13.24920 318.2581   47.08631 318.2581   47.08631 ?          ?        177.6949 13.24920 ?        ?        ?         ?        
1 1 1 26 16 4  o 130.8566 13.87302 173.0280   36.30752 173.0280   36.30752 ?          ?        130.8566 13.87302 ?        ?        ?         ?        
1 1 1 26 16 5  o 75.48296 22.64101 59.56702   36.87482 59.56702   36.87482 ?          ?        75.48296 22.64101 ?        ?        ?         ?        
1 1 1 26 16 6  o 49.71996 20.69261 6.807660   34.03830 6.807660   34.03830 ?          ?        49.71996 20.69261 ?        ?        ?         ?        
1 1 1 26 16 7  o 42.79700 18.75369 -5.673049  30.63447 -5.673049  30.63447 ?          ?        42.79700 18.75369 ?        ?        ?         ?        
1 1 1 26 16 8  o 152.3174 12.66328 236.5662   38.57674 236.5662   38.57674 ?          ?        152.3174 12.66328 ?        ?        ?         ?        
1 1 1 26 16 9  o 53.72787 21.05934 20.42298   32.90369 20.42298   32.90369 ?          ?        53.72787 21.05934 ?        ?        ?         ?        
1 1 1 26 16 10 o 63.45638 19.78605 43.11518   27.79794 43.11518   27.79794 ?          ?        63.45638 19.78605 ?        ?        ?         ?        
1 1 1 26 16 11 o 46.62159 19.08883 11.34610   28.36525 11.34610   28.36525 ?          ?        46.62159 19.08883 ?        ?        ?         ?        
1 1 1 26 16 12 o 129.0207 12.09177 172.4607   31.20177 172.4607   31.20177 ?          ?        129.0207 12.09177 ?        ?        ?         ?        
1 1 1 26 16 13 o 47.79323 19.94715 11.91340   31.76908 11.91340   31.76908 ?          ?        47.79323 19.94715 ?        ?        ?         ?        
1 1 1 26 17 0  o 170.9070 16.37671 301.8062   55.02858 301.8062   55.02858 301.8062   55.02858 170.9070 16.37671 170.9070 16.37671 -0.000000 0.000000 
1 1 1 26 17 1  o 202.3651 9.811807 411.2961   39.71135 411.2961   39.71135 ?          ?        202.3651 9.811807 ?        ?        ?         ?        
1 1 1 26 17 2  o 424.5765 11.82508 1813.674   100.4130 1813.674   100.4130 ?          ?        424.5765 11.82508 ?        ?        ?         ?        
1 1 1 26 17 3  o 78.22160 20.96389 64.67276   33.47099 64.67276   33.47099 ?          ?        78.22160 20.96389 ?        ?        ?         ?        
1 1 1 26 17 4  o 320.7676 10.16937 1034.764   65.24007 1034.764   65.24007 ?          ?        320.7676 10.16937 ?        ?        ?         ?        
1 1 1 26 17 5  o 71.56073 22.45977 52.75936   35.74022 52.75936   35.74022 ?          ?        71.56073 22.45977 ?        ?        ?         ?        
1 1 1 26 17 6  o 114.3845 16.61477 133.3167   38.00943 133.3167   38.00943 ?          ?        114.3845 16.61477 ?        ?        ?         ?        
1 1 1 26 17 7  o 136.3044 13.73475 188.9126   37.44213 188.9126   37.44213 ?          ?        136.3044 13.73475 ?        ?        ?         ?        
1 1 1 26 17 8  o 114.7320 14.33937 135.0186   32.90369 135.0186   32.90369 ?          ?        114.7320 14.33937 ?        ?        ?         ?        
1 1 1 26 17 9  o 117.6163 14.22890 142.3935   33.47099 142.3935   33.47099 ?          ?        117.6163 14.22890 ?        ?        ?         ?        
1 1 1 26 17 10 o 80.09803 17.48182 69.77851   27.23064 69.77851   27.23064 ?          ?        80.09803 17.48182 ?        ?        ?         ?        
1 1 1 26 17 11 o 120.4295 12.01224 149.7685   28.93255 149.7685   28.93255 ?          ?        120.4295 12.01224 ?        ?        ?         ?        
1 1 1 26 17 12 o 151.1644 10.50812 234.8643   31.76908 234.8643   31.76908 ?          ?        151.1644 10.50812 ?        ?        ?         ?        
1 1 1 26 17 13 o 33.28614 15.48431 -18.15376  24.96142 -18.15376  24.96142 ?          ?        33.28614 15.48431 ?        ?        ?         ?        
1 1 1 26 18 0  o 163.4088 12.82696 272.8737   41.41326 272.8737   41.41326 272.8737   41.41326 163.4088 12.82696 163.4088 12.82696 -0.000000 0.000000 
1 1 1 26 18 1  o 168.7643 11.59725 286.4890   39.14404 286.4890   39.14404 ?          ?        168.7643 11.59725 ?        ?        ?         ?        
1 1 1 26 18 2  o 119.2301 14.51210 143.5282   34.60560 143.5282   34.60560 ?          ?        119.2301 14.51210 ?        ?        ?         ?        
1 1 1 26 18 3  o 170.6949 11.13373 293.2967   38.00943 293.2967   38.00943 ?          ?        170.6949 11.13373 ?        ?        ?         ?        
1 1 1 26 18 4  o 188.3435 10.24106 356.8348   38.57674 356.8348   38.57674 ?          ?        188.3435 10.24106 ?        ?        ?         ?        
1 1 1 26 18 5  o 55.26950 20.78957 23.82681   31.20177 23.82681   31.20177 ?          ?        55.26950 20.78957 ?        ?        ?         ?        
1 1 1 26 18 6  o 98.68447 18.21800 102.6822   34.60560 102.6822   34.60560 ?          ?        98.68447 18.21800 ?        ?        ?         ?        
1 1 1 26 18 7  o 82.81770 20.05070 73.74965   32.90369 73.74965   32.90369 ?          ?        82.81770 20.05070 ?        ?        ?         ?        
1 1 1 26 18 8  o 41.67494 18.53293 -9.644185  31.20177 -9.644185  31.20177 ?          ?        41.67494 18.53293 ?        ?        ?         ?        
1 1 1 26 18 9  o 111.3365 15.28623 128.2109   34.03830 128.2109   34.03830 ?          ?        111.3365 15.28623 ?        ?        ?         ?        
1 1 1 26 18 10 o 55.78419 20.82776 27.23064   31.20177 27.23064   31.20177 ?          ?        55.78419 20.82776 ?        ?        ?         ?        
1 1 1 26 18 11 o 92.44646 16.55398 93.03801   29.49986 93.03801   29.49986 ?          ?        92.44646 16.55398 ?        ?        ?         ?        
1 1 1 26 18 12 o 88.09924 18.60681 87.36497   31.76908 87.36497   31.76908 ?          ?        88.09924 18.60681 ?        ?        ?         ?        
1 1 1 26 18 13 o 54.33422 19.38258 30.63447   26.66333 30.63447   26.66333 ?          ?        54.33422 19.38258 ?        ?        ?         ?        
1 1 1 26 19 0  o 46.76047 28.29753 23.25950   47.65361 23.25950   47.65361 23.25950   47.65361 46.76047 28.29753 46.76047 28.29753 -0.000000 0.000000 
1 1 1 26 19 1  o 184.5782 11.21835 342.6522   41.41326 342.6522   41.41326 ?          ?        184.5782 11.21835 ?        ?        ?         ?        
1 1 1 26 19 2  o 104.8623 14.87749 111.1918   31.20177 111.1918   31.20177 ?          ?        104.8623 14.87749 ?        ?        ?         ?        
1 1 1 26 19 3  f 208.0323 9.953568 435.1229   41.41326 435.1229   41.41326 ?          ?        208.0323 9.953568 ?        ?        ?         ?        
1 1 1 26 19 4  o 148.6586 10.11282 222.3835   30.06716 222.3835   30.06716 ?          ?        148.6586 10.11282 ?        ?        ?         ?        
1 1 1 26 19 5  o 91.74809 19.73420 89.63419   35.17290 89.63419   35.17290 ?          ?        91.74809 19.73420 ?        ?        ?         ?        
1 1 1 26 19 6  o 149.9147 13.62306 228.0566   40.84595 228.0566   40.84595 ?          ?        149.9147 13.62306 ?        ?        ?         ?        
1 1 1 26 19 7  o 82.99952 20.30297 74.31695   33.47099 74.31695   33.47099 ?          ?        82.99952 20.30297 ?        ?        ?         ?        
1 1 1 26 19 8  o 329.7955 11.09511 1103.975   73.18234 1103.975   73.18234 ?          ?        329.7955 11.09511 ?        ?        ?         ?        
1 1 1 26 19 9  o 82.28951 21.23525 74.88425   35.17290 74.88425   35.17290 ?          ?        82.28951 21.23525 ?        ?        ?         ?        
1 1 1 26 19 10 o 58.28555 20.94984 32.33638   31.20177 32.33638   31.20177 ?          ?        58.28555 20.94984 ?        ?        ?         ?        
1 1 1 26 19 11 o 97.52729 13.96052 99.27837   27.23064 99.27837   27.23064 ?          ?        97.52729 13.96052 ?        ?        ?         ?        
1 1 1 26 19 12 o 37.47284 17.02522 -11.91340  27.79794 -11.91340  27.79794 ?          ?        37.47284 17.02522 ?        ?        ?         ?        
1 1 1 26 19 13 o 39.02998 17.94830 -17.01915  32.33638 -17.01915  32.33638 ?          ?        39.02998 17.94830 ?        ?        ?         ?        
1 1 1 26 20 0  o 70.09078 31.56501 72.61504   47.08631 72.61504   47.08631 72.61504   47.08631 70.09078 31.56501 70.09078 31.56501 -0.000000 0.000000 
1 1 1 26 20 1  f 318.8482 9.340970 1021.149   59.56702 1021.149   59.56702 ?          ?        318.8482 9.340970 ?        ?        ?         ?        
1 1 1 26 20 2  o 241.5903 9.627666 586.5934   46.51900 586.5934   46.51900 ?          ?        241.5903 9.627666 ?        ?        ?         ?        
1 1 1 26 20 3  o 122.9218 13.38400 152.6050   32.90369 152.6050   32.90369 ?          ?        122.9218 13.38400 ?        ?        ?         ?        
1 1 1 26 20 4  o 154.4379 11.20373 240.5373   34.60560 240.5373   34.60560 ?          ?        154.4379 11.20373 ?        ?        ?         ?        
1 1 1 26 20 5  o 84.22277 18.97813 75.45156   31.20177 75.45156   31.20177 ?          ?        84.22277 18.97813 ?        ?        ?         ?        
1 1 1 26 20 6  o 110.7425 15.88050 125.3744   35.17290 125.3744   35.17290 ?          ?        110.7425 15.88050 ?        ?        ?         ?        
1 1 1 26 20 7  o 125.0513 14.51705 159.9800   36.30752 159.9800   36.30752 ?          ?        125.0513 14.51705 ?        ?        ?         ?        
1 1 1 26 20 8  o 141.6422 13.81793 205.3644   39.14404 205.3644   39.14404 ?          ?        141.6422 13.81793 ?        ?        ?         ?        
1 1 1 26 20 9  o 52.67459 20.10102 22.12490   29.49986 22.12490   29.49986 ?          ?        52.67459 20.10102 ?        ?        ?         ?        
1 1 1 26 20 10 o 46.15695 19.13536 8.509575   28.93255 8.509575   28.93255 ?          ?        46.15695 19.13536 ?        ?        ?         ?        
1 1 1 26 20 11 o 72.07919 21.09762 58.99971   32.33638 58.99971   32.33638 ?          ?        72.07919 21.09762 ?        ?        ?         ?        
1 1 1 26 20 12 o 110.5244 12.06220 127.0763   26.66333 127.0763   26.66333 ?          ?        110.5244 12.06220 ?        ?        ?         ?        
1 1 1 26 20 13 o 66.01867 19.86864 50.49014   28.36525 50.49014   28.36525 ?          ?        66.01867 19.86864 ?        ?        ?         ?        
1 1 1 26 21 0  o 389.4533 16.15635 1535.127   125.3744 1535.127   125.3744 1535.127   125.3744 389.4533 16.15635 389.4533 16.15635 -0.000000 0.000000 
1 1 1 26 21 1  o 92.85670 19.82719 91.33610   35.74022 91.33610   35.74022 ?          ?        92.85670 19.82719 ?        ?        ?         ?        
1 1 1 26 21 2  o 149.0498 12.56028 224.0854   37.44213 224.0854   37.44213 ?          ?        149.0498 12.56028 ?        ?        ?         ?        
1 1 1 26 21 3  o 77.34124 20.28650 63.53815   31.76908 63.53815   31.76908 ?          ?        77.34124 20.28650 ?        ?        ?         ?        
1 1 1 26 21 4  o 154.9438 11.35021 242.2392   35.17290 242.2392   35.17290 ?          ?        154.9438 11.35021 ?        ?        ?         ?        
1 1 1 26 21 5  o 184.2750 10.31324 342.0849   38.00943 342.0849   38.00943 ?          ?        184.2750 10.31324 ?        ?        ?         ?        
1 1 1 26 21 6  o 114.0511 13.43015 132.1821   30.63447 132.1821   30.63447 ?          ?        114.0511 13.43015 ?        ?        ?         ?        
1 1 1 26 21 7  o 93.81960 19.67674 95.30723   35.74022 95.30723   35.74022 ?          ?        93.81960 19.67674 ?        ?        ?         ?        
1 1 1 26 21 8  o 135.0940 12.17807 186.0760   32.90369 186.0760   32.90369 ?          ?        135.0940 12.17807 ?        ?        ?         ?        
1 1 1 26 21 9  o 85.53613 20.74418 81.12460   35.17290 81.12460   35.17290 ?          ?        85.53613 20.74418 ?        ?        ?         ?        
1 1 1 26 21 10 o 113.6910 13.97168 133.8840   31.76908 133.8840   31.76908 ?          ?        113.6910 13.97168 ?        ?        ?         ?        
1 1 1 26 21 11 o 53.78493 21.43716 22.12490   34.60560 22.12490   34.60560 ?          ?        53.78493 21.43716 ?        ?        ?         ?        
1 1 1 26 21 12 f 46.24519 19.45922 8.509575   30.63447 8.509575   30.63447 ?          ?        46.24519 19.45922 ?        ?        ?         ?        
1 1 1 26 21 13 o 88.17449 17.34609 87.93227   29.49986 87.93227   29.49986 ?          ?        88.17449 17.34609 ?        ?        ?         ?        
1 1 1 26 22 0  o 123.1432 18.61570 159.9800   43.68248 159.9800   43.68248 159.9800   43.68248 123.1432 18.61570 123.1432 18.61570 -0.000000 0.000000 
1 1 1 26 22 1  o 134.6224 12.01003 182.6722   32.33638 182.6722   32.33638 ?          ?        134.6224 12.01003 ?        ?        ?         ?        
1 1 1 26 22 2  o 114.7609 14.58293 133.3167   33.47099 133.3167   33.47099 ?          ?        114.7609 14.58293 ?        ?        ?         ?        
1 1 1 26 22 3  o 120.0660 12.99359 145.7974   31.20177 145.7974   31.20177 ?          ?        120.0660 12.99359 ?        ?        ?         ?        
1 1 1 26 22 4  o 98.94149 14.33435 99.27837   28.36525 99.27837   28.36525 ?          ?        98.94149 14.33435 ?        ?        ?         ?        
1 1 1 26 22 5  o 111.3942 14.00511 125.9417   31.20177 125.9417   31.20177 ?          ?        111.3942 14.00511 ?        ?        ?         ?        
1 1 1 26 22 6  o 393.4879 11.31761 1565.762   89.06688 1565.762   89.06688 ?          ?        393.4879 11.31761 ?        ?        ?         ?        
1 1 1 26 22 7  o 41.31150 18.60180 -13.61532  32.33638 -13.61532  32.33638 ?          ?        41.31150 18.60180 ?        ?        ?         ?        
1 1 1 26 22 8  o 63.80357 21.98268 40.84595   34.03830 40.84595   34.03830 ?          ?        63.80357 21.98268 ?        ?        ?         ?        
1 1 1 26 22 9  o 57.17282 21.78467 27.23064   34.60560 27.23064   34.60560 ?          ?        57.17282 21.78467 ?        ?        ?         ?        
1 1 1 26 22 10 o 86.77636 16.60933 81.69191   27.79794 81.69191   27.79794 ?          ?        86.77636 16.60933 ?        ?        ?         ?        
1 1 1 26 22 11 o 54.00662 19.73817 28.36525   27.79794 28.36525   27.79794 ?          ?        54.00662 19.73817 ?        ?        ?         ?        
1 1 1 26 22 12 o 37.64548 17.12878 -12.48071  28.36525 -12.48071  28.36525 ?          ?        37.64548 17.12878 ?        ?        ?         ?        
1 1 1 26 22 13 o 36.35636 16.75580 -15.88454  28.36525 -15.88454  28.36525 ?          ?        36.35636 16.75580 ?        ?        ?         ?        
1 1 1 26 23 0  o 222.4495 12.32062 501.4976   54.46128 501.4976   54.46128 501.4976   54.46128 222.4495 12.32062 222.4495 12.32062 -0.000000 0.000000 
1 1 1 26 23 1  o 190.0985 8.952806 363.0752   34.03830 363.0752   34.03830 ?          ?        190.0985 8.952806 ?        ?        ?         ?        
1 1 1 26 23 2  o 159.3475 10.85854 255.8545   34.60560 255.8545   34.60560 ?          ?        159.3475 10.85854 ?        ?        ?         ?        
1 1 1 26 23 3  f 101.5176 16.20590 104.9514   32.90369 104.9514   32.90369 ?          ?        101.5176 16.20590 ?        ?        ?         ?        
1 1 1 26 23 4  o 81.02458 18.58902 69.77851   29.49986 69.77851   29.49986 ?          ?        81.02458 18.58902 ?        ?        ?         ?        
1 1 1 26 23 5  o 64.69685 20.42344 43.11518   29.49986 43.11518   29.49986 ?          ?        64.69685 20.42344 ?        ?        ?         ?        
1 1 1 26 23 6  o 88.89493 19.95571 85.09574   34.60560 85.09574   34.60560 ?          ?        88.89493 19.95571 ?        ?        ?         ?        
1 1 1 26 23 7  o 64.58126 20.42720 43.68248   29.49986 43.68248   29.49986 ?          ?        64.58126 20.42720 ?        ?        ?         ?        
1 1 1 26 23 8  o 117.2283 13.79206 141.2589   32.33638 141.2589   32.33638 ?          ?        117.2283 13.79206 ?        ?        ?         ?        
1 1 1 26 23 9  f 57.42906 20.39744 31.76908   29.49986 31.76908   29.49986 ?          ?        57.42906 20.39744 ?        ?        ?         ?        
1 1 1 26 23 10 o 91.05840 21.75927 94.73994   39.14404 94.73994   39.14404 ?          ?        91.05840 21.75927 ?        ?        ?         ?        
1 1 1 26 23 11 o 54.26825 20.09686 27.79794   28.93255 27.79794   28.93255 ?          ?        54.26825 20.09686 ?        ?        ?         ?        
1 1 1 26 23 12 o 37.00595 17.00066 -15.88454  28.93255 -15.88454  28.93255 ?          ?        37.00595 17.00066 ?        ?        ?         ?        
1 1 1 26 23 13 o 46.40955 19.38987 11.34610   30.06716 11.34610   30.06716 ?          ?        46.40955 19.38987 ?        ?        ?         ?        
1 1 1 26 24 0  o 252.0151 11.87454 642.1892   59.56702 642.1892   59.56702 642.1892   59.56702 252.0151 11.87454 252.0151 11.87454 -0.000000 0.000000 
1 1 1 26 24 1  o 51.49121 20.14166 17.01915   30.06716 17.01915   30.06716 ?          ?        51.49121 20.14166 ?        ?        ?         ?        
1 1 1 26 24 2  o 113.6121 12.48337 130.4801   28.36525 130.4801   28.36525 ?          ?        113.6121 12.48337 ?        ?        ?         ?        
1 1 1 26 24 3  o 160.7902 10.23187 260.3930   32.90369 260.3930   32.90369 ?          ?        160.7902 10.23187 ?        ?        ?         ?        
1 1 1 26 24 4  o 207.3407 8.755520 432.2864   36.30752 432.2864   36.30752 ?          ?        207.3407 8.755520 ?        ?        ?         ?        
1 1 1 26 24 5  o 86.71677 19.15691 80.55730   32.33638 80.55730   32.33638 ?          ?        86.71677 19.15691 ?        ?        ?         ?        
1 1 1 26 24 6  f 40.32030 18.28108 -15.88454  31.76908 -15.88454  31.76908 ?          ?        40.32030 18.28108 ?        ?        ?         ?        
1 1 1 26 24 7  o 116.9986 12.60693 139.5570   29.49986 139.5570   29.49986 ?          ?        116.9986 12.60693 ?        ?        ?         ?        
1 1 1 26 24 8  o 147.7551 15.16600 225.7874   44.81709 225.7874   44.81709 ?          ?        147.7551 15.16600 ?        ?        ?         ?        
1 1 1 26 24 9  o 64.06081 21.62541 42.54787   32.90369 42.54787   32.90369 ?          ?        64.06081 21.62541 ?        ?        ?         ?        
1 1 1 26 24 10 o 92.96136 18.65992 95.87454   33.47099 95.87454   33.47099 ?          ?        92.96136 18.65992 ?        ?        ?         ?        
1 1 1 26 24 11 o 127.3649 12.91709 169.0569   32.90369 169.0569   32.90369 ?          ?        127.3649 12.91709 ?        ?        ?         ?        
1 1 1 26 24 12 o 32.76808 15.82069 -41.98057  31.20177 -41.98057  31.20177 ?          ?        32.76808 15.82069 ?        ?        ?         ?        
1 1 1 26 25 0  o 40.80186 25.15138 15.31723   39.14404 15.31723   39.14404 15.31723   39.14404 40.80186 25.15138 40.80186 25.15138 -0.000000 0.000000 
1 1 1 26 25 1  o 41.53453 18.29944 -7.374964  29.49986 -7.374964  29.49986 ?          ?        41.53453 18.29944 ?        ?        ?         ?        
1 1 1 26 25 2  o 137.8427 11.52367 191.7491   31.76908 191.7491   31.76908 ?          ?        137.8427 11.52367 ?        ?        ?         ?        
1 1 1 26 25 3  o 82.74039 17.98661 72.61504   28.93255 72.61504   28.93255 ?          ?        82.74039 17.98661 ?        ?        ?         ?        
1 1 1 26 25 4  o 153.6998 10.15024 238.2681   31.20177 238.2681   31.20177 ?          ?        153.6998 10.15024 ?        ?        ?         ?        
1 1 1 26 25 5  o 136.7728 10.57686 188.9126   28.93255 188.9126   28.93255 ?          ?        136.7728 10.57686 ?        ?        ?         ?        
1 1 1 26 25 6  o 95.84263 14.20591 94.17262   27.23064 94.17262   27.23064 ?          ?        95.84263 14.20591 ?        ?        ?         ?        
1 1 1 26 25 7  o 100.1725 13.30871 102.6822   26.66333 102.6822   26.66333 ?          ?        100.1725 13.30871 ?        ?        ?         ?        
1 1 1 26 25 8  o 107.5829 17.66519 121.4033   38.00943 121.4033   38.00943 ?          ?        107.5829 17.66519 ?        ?        ?         ?        
1 1 1 26 25 9  o 55.60585 20.33237 28.36525   29.49986 28.36525   29.49986 ?          ?        55.60585 20.33237 ?        ?        ?         ?        
1 1 1 26 25 10 o 101.4373 14.54093 107.7879   29.49986 107.7879   29.49986 ?          ?        101.4373 14.54093 ?        ?        ?         ?        
1 1 1 26 25 11 o 48.90348 19.67414 16.45185   29.49986 16.45185   29.49986 ?          ?        48.90348 19.67414 ?        ?        ?         ?        
1 1 1 26 25 12 o 32.34430 15.75995 -51.62476  32.90369 -51.62476  32.90369 ?          ?        32.34430 15.75995 ?        ?        ?         ?        
1 1 1 26 26 0  o 49.45551 28.33478 33.47099   43.68248 33.47099   43.68248 33.47099   43.68248 49.45551 28.33478 49.45551 28.33478 -0.000000 0.000000 
1 1 1 26 26 1  o 120.3140 12.73105 146.3647   30.63447 146.3647   30.63447 ?          ?        120.3140 12.73105 ?        ?        ?         ?        
1 1 1 26 26 2  o 130.9954 11.04335 173.0280   28.93255 173.0280   28.93255 ?          ?        130.9954 11.04335 ?        ?        ?         ?        
1 1 1 26 26 3  o 65.18650 20.39422 43.68248   29.49986 43.68248   29.49986 ?          ?        65.18650 20.39422 ?        ?        ?         ?        
1 1 1 26 26 4  o 184.5779 9.066900 343.2195   33.47099 343.2195   33.47099 ?          ?        184.5779 9.066900 ?        ?        ?         ?        
1 1 1 26 26 5  o 195.2808 8.424711 384.0654   32.90369 384.0654   32.90369 ?          ?        195.2808 8.424711 ?        ?        ?         ?        
1 1 1 26 26 6  o 315.5553 8.539545 1004.697   53.89397 1004.697   53.89397 ?          ?        315.5553 8.539545 ?        ?        ?         ?        
1 1 1 26 26 7  o 85.52014 17.51928 78.85539   28.93255 78.85539   28.93255 ?          ?        85.52014 17.51928 ?        ?        ?         ?        
1 1 1 26 26 8  o 102.6217 13.26749 108.3553   27.23064 108.3553   27.23064 ?          ?        102.6217 13.26749 ?        ?        ?         ?        
1 1 1 26 26 9  o 148.0862 10.91809 224.0854   32.33638 224.0854   32.33638 ?          ?        148.0862 10.91809 ?        ?        ?         ?        
1 1 1 26 26 10 o 215.9160 11.16659 480.5073   48.22092 480.5073   48.22092 ?          ?        215.9160 11.16659 ?        ?        ?         ?        
1 1 1 26 26 11 o 64.90336 19.93673 47.65361   28.36525 47.65361   28.36525 ?          ?        64.90336 19.93673 ?        ?        ?         ?        
1 1 1 26 26 12 o 166.9399 11.21426 289.8928   37.44213 289.8928   37.44213 ?          ?        166.9399 11.21426 ?        ?        ?         ?        
1 1 1 26 27 0  o 150.9706 14.72420 235.9989   43.68248 235.9989   43.68248 235.9989   43.68248 150.9706 14.72420 150.9706 14.72420 -0.000000 0.000000 
1 1 1 26 27 1  o 90.64321 16.57607 86.23035   28.93255 86.23035   28.93255 ?          ?        90.64321 16.57607 ?        ?        ?         ?        
1 1 1 26 27 2  o 41.50263 17.83264 -1.134610  26.66333 -1.134610  26.66333 ?          ?        41.50263 17.83264 ?        ?        ?         ?        
1 1 1 26 27 3  o 77.05215 18.59270 63.53815   28.36525 63.53815   28.36525 ?          ?        77.05215 18.59270 ?        ?        ?         ?        
1 1 1 26 27 4  o 285.4622 8.247380 819.7557   47.08631 819.7557   47.08631 ?          ?        285.4622 8.247380 ?        ?        ?         ?        
1 1 1 26 27 5  o 99.70353 13.37131 101.5476   26.66333 101.5476   26.66333 ?          ?        99.70353 13.37131 ?        ?        ?         ?        
1 1 1 26 27 6  o 370.1098 9.809933 1385.926   72.61504 1385.926   72.61504 ?          ?        370.1098 9.809933 ?        ?        ?         ?        
1 1 1 26 27 7  o 90.88055 14.35732 85.09574   26.09603 85.09574   26.09603 ?          ?        90.88055 14.35732 ?        ?        ?         ?        
1 1 1 26 27 8  o 123.3874 11.26450 155.4416   27.79794 155.4416   27.79794 ?          ?        123.3874 11.26450 ?        ?        ?         ?        
1 1 1 26 27 9  o 88.13927 17.67978 85.09574   30.06716 85.09574   30.06716 ?          ?        88.13927 17.67978 ?        ?        ?         ?        
1 1 1 26 27 10 o 53.49849 21.60038 20.42298   35.74022 20.42298   35.74022 ?          ?        53.49849 21.60038 ?        ?        ?         ?        
1 1 1 26 27 11 o 56.28538 21.43098 29.49986   33.47099 29.49986   33.47099 ?          ?        56.28538 21.43098 ?        ?        ?         ?        
1 1 1 26 27 12 o 70.30262 23.58710 58.99971   39.14404 58.99971   39.14404 ?          ?        70.30262 23.58710 ?        ?        ?         ?        
1 1 1 26 28 0  o 135.3579 15.87633 192.3164   41.98057 192.3164   41.98057 192.3164   41.98057 135.3579 15.87633 135.3579 15.87633 -0.000000 0.000000 
1 1 1 26 28 1  o 144.1058 10.23548 209.3355   29.49986 209.3355   29.49986 ?          ?        144.1058 10.23548 ?        ?        ?         ?        
1 1 1 26 28 2  o 50.50415 19.30088 18.72106   27.23064 18.72106   27.23064 ?          ?        50.50415 19.30088 ?        ?        ?         ?        
1 1 1 26 28 3  o 149.9939 9.833686 226.9220   29.49986 226.9220   29.49986 ?          ?        149.9939 9.833686 ?        ?        ?         ?        
1 1 1 26 28 4  o 93.13308 14.31464 88.49958   26.66333 88.49958   26.66333 ?          ?        93.13308 14.31464 ?        ?        ?         ?        
1 1 1 26 28 5  o 230.9663 8.596786 538.3724   39.71135 538.3724   39.71135 ?          ?        230.9663 8.596786 ?        ?        ?         ?        
1 1 1 26 28 6  o 113.7477 11.47101 131.6148   26.09603 131.6148   26.09603 ?          ?        113.7477 11.47101 ?        ?        ?         ?        
1 1 1 26 28 7  o 55.23866 19.59946 28.93255   27.23064 28.93255   27.23064 ?          ?        55.23866 19.59946 ?        ?        ?         ?        
1 1 1 26 28 8  o 55.47741 18.62019 31.20177   24.39412 31.20177   24.39412 ?          ?        55.47741 18.62019 ?        ?        ?         ?        
1 1 1 26 28 9  o 49.78296 19.07741 20.42298   26.66333 20.42298   26.66333 ?          ?        49.78296 19.07741 ?        ?        ?         ?        
1 1 1 26 28 10 o 108.1500 12.32702 121.4033   26.66333 121.4033   26.66333 ?          ?        108.1500 12.32702 ?        ?        ?         ?        
1 1 1 26 28 11 o 111.7734 12.18118 130.4801   27.23064 130.4801   27.23064 ?          ?        111.7734 12.18118 ?        ?        ?         ?        
1 1 1 26 28 12 o 43.84288 19.23940 0.5673050  32.33638 0.5673050  32.33638 ?          ?        43.84288 19.23940 ?        ?        ?         ?        
1 1 1 26 29 0  o 35.75675 23.23569 1.134610   38.57674 1.134610   38.57674 1.134610   38.57674 35.75675 23.23569 35.75675 23.23569 -0.000000 0.000000 
1 1 1 26 29 1  o 40.65396 17.83914 -5.673049  27.79794 -5.673049  27.79794 ?          ?        40.65396 17.83914 ?        ?        ?         ?        
1 1 1 26 29 2  o 243.6469 8.382204 597.3721   40.84595 597.3721   40.84595 ?          ?        243.6469 8.382204 ?        ?        ?         ?        
1 1 1 26 29 3  o 203.2550 8.512855 415.8346   34.60560 415.8346   34.60560 ?          ?        203.2550 8.512855 ?        ?        ?         ?        
1 1 1 26 29 4  o 148.5016 9.550488 222.9509   28.36525 222.9509   28.36525 ?          ?        148.5016 9.550488 ?        ?        ?         ?        
1 1 1 26 29 5  o 92.50721 15.02474 87.93227   27.79794 87.93227   27.79794 ?          ?        92.50721 15.02474 ?        ?        ?         ?        
1 1 1 26 29 6  o 64.12836 19.98519 43.68248   28.36525 43.68248   28.36525 ?          ?        64.12836 19.98519 ?        ?        ?         ?        
1 1 1 26 29 7  o 107.5007 12.66533 118.5667   27.23064 118.5667   27.23064 ?          ?        107.5007 12.66533 ?        ?        ?         ?        
1 1 1 26 29 8  o 42.15402 17.27699 7.942269   23.25950 7.942269   23.25950 ?          ?        42.15402 17.27699 ?        ?        ?         ?        
1 1 1 26 29 9  f 114.1166 11.18536 133.8840   25.52872 133.8840   25.52872 ?          ?        114.1166 11.18536 ?        ?        ?         ?        
1 1 1 26 29 10 o 66.60544 19.04971 49.92284   26.66333 49.92284   26.66333 ?          ?        66.60544 19.04971 ?        ?        ?         ?        
1 1 1 26 29 11 o 45.23867 18.38037 13.04801   26.09603 13.04801   26.09603 ?          ?        45.23867 18.38037 ?        ?        ?         ?        
1 1 1 26 29 12 o 77.21606 20.03565 70.34581   31.20177 70.34581   31.20177 ?          ?        77.21606 20.03565 ?        ?        ?         ?        
1 1 1 26 30 0  o 62.40448 28.55325 58.43241   38.57674 58.43241   38.57674 58.43241   38.57674 62.40448 28.55325 62.40448 28.55325 -0.000000 0.000000 
1 1 1 26 30 1  o 273.1722 8.099247 750.5444   44.24979 750.5444   44.24979 ?          ?        273.1722 8.099247 ?        ?        ?         ?        
1 1 1 26 30 2  o 125.8226 10.82105 159.9800   27.23064 159.9800   27.23064 ?          ?        125.8226 10.82105 ?        ?        ?         ?        
1 1 1 26 30 3  o 68.95083 18.52504 51.05745   26.09603 51.05745   26.09603 ?          ?        68.95083 18.52504 ?        ?        ?         ?        
1 1 1 26 30 4  o 93.14395 14.61750 89.06688   27.23064 89.06688   27.23064 ?          ?        93.14395 14.61750 ?        ?        ?         ?        
1 1 1 26 30 5  o 183.2553 8.203627 338.6811   30.06716 338.6811   30.06716 ?          ?        183.2553 8.203627 ?        ?        ?         ?        
1 1 1 26 30 6  o 60.40979 18.73201 38.57674   24.96142 38.57674   24.96142 ?          ?        60.40979 18.73201 ?        ?        ?         ?        
1 1 1 26 30 7  o 65.02112 18.37933 45.95170   24.96142 45.95170   24.96142 ?          ?        65.02112 18.37933 ?        ?        ?         ?        
1 1 1 26 30 8  o 114.3193 11.41366 133.8840   26.09603 133.8840   26.09603 ?          ?        114.3193 11.41366 ?        ?        ?         ?        
1 1 1 26 30 9  o 46.38256 18.56881 14.18262   26.09603 14.18262   26.09603 ?          ?        46.38256 18.56881 ?        ?        ?         ?        
1 1 1 26 30 10 o 59.41868 19.67299 38.57674   27.23064 38.57674   27.23064 ?          ?        59.41868 19.67299 ?        ?        ?         ?        
1 1 1 26 30 11 o 82.37084 16.76706 76.01886   26.66333 76.01886   26.66333 ?          ?        82.37084 16.76706 ?        ?        ?         ?        
1 1 1 26 31 0  o 215.9659 12.83431 474.8342   55.02858 474.8342   55.02858 474.8342   55.02858 215.9659 12.83431 215.9659 12.83431 -0.000000 0.000000 
1 1 1 26 31 1  o 46.15775 18.76833 9.644185   27.23064 9.644185   27.23064 ?          ?        46.15775 18.76833 ?        ?        ?         ?        
1 1 1 26 31 2  o 212.8988 8.260477 456.6805   35.17290 456.6805   35.17290 ?          ?        212.8988 8.260477 ?        ?        ?         ?        
1 1 1 26 31 3  o 42.23544 18.36703 -2.836525  28.93255 -2.836525  28.93255 ?          ?        42.23544 18.36703 ?        ?        ?         ?        
1 1 1 26 31 4  o 262.1097 8.224644 692.6793   43.11518 692.6793   43.11518 ?          ?        262.1097 8.224644 ?        ?        ?         ?        
1 1 1 26 31 5  o 57.08849 19.46701 32.33638   26.66333 32.33638   26.66333 ?          ?        57.08849 19.46701 ?        ?        ?         ?        
1 1 1 26 31 6  o 225.6189 7.920481 513.9783   35.74022 513.9783   35.74022 ?          ?        225.6189 7.920481 ?        ?        ?         ?        
1 1 1 26 31 7  o 44.65259 18.54108 7.374964   27.23064 7.374964   27.23064 ?          ?        44.65259 18.54108 ?        ?        ?         ?        
1 1 1 26 31 8  o 245.4622 8.089094 610.9874   39.71135 610.9874   39.71135 ?          ?        245.4622 8.089094 ?        ?        ?         ?        
1 1 1 26 31 9  o 45.44910 17.89047 15.31723   23.82681 15.31723   23.82681 ?          ?        45.44910 17.89047 ?        ?        ?         ?        
1 1 1 26 31 10 o 111.9095 10.89904 129.3455   24.39412 129.3455   24.39412 ?          ?        111.9095 10.89904 ?        ?        ?         ?        
1 1 1 26 31 11 o 68.88503 19.63130 55.02858   28.36525 55.02858   28.36525 ?          ?        68.88503 19.63130 ?        ?        ?         ?        
1 1 1 26 32 0  o 77.92647 28.50751 83.39383   40.84595 83.39383   40.84595 83.39383   40.84595 77.92647 28.50751 77.92647 28.50751 -0.000000 0.000000 
1 1 1 26 32 1  o 69.22373 18.78262 51.62476   26.66333 51.62476   26.66333 ?          ?        69.22373 18.78262 ?        ?        ?         ?        
1 1 1 26 32 2  o 108.8220 12.77220 120.8360   27.79794 120.8360   27.79794 ?          ?        108.8220 12.77220 ?        ?        ?         ?        
1 1 1 26 32 3  o 55.53045 19.60989 28.93255   27.23064 28.93255   27.23064 ?          ?        55.53045 19.60989 ?        ?        ?         ?        
1 1 1 26 32 4  o 133.9021 11.01546 182.1049   29.49986 182.1049   29.49986 ?          ?        133.9021 11.01546 ?        ?        ?         ?        
1 1 1 26 32 5  o 90.99791 16.50513 88.49958   28.93255 88.49958   28.93255 ?          ?        90.99791 16.50513 ?        ?        ?         ?        
1 1 1 26 32 6  o 51.32238 18.89990 23.25950   25.52872 23.25950   25.52872 ?          ?        51.32238 18.89990 ?        ?        ?         ?        
1 1 1 26 32 7  o 160.3349 9.376361 260.9603   30.06716 260.9603   30.06716 ?          ?        160.3349 9.376361 ?        ?        ?         ?        
1 1 1 26 32 8  o 157.5658 9.181099 253.0180   28.93255 253.0180   28.93255 ?          ?        157.5658 9.181099 ?        ?        ?         ?        
1 1 1 26 32 9  o 99.20550 12.29474 102.1149   24.39412 102.1149   24.39412 ?          ?        99.20550 12.29474 ?        ?        ?         ?        
1 1 1 26 32 10 o 139.0645 9.586678 198.5567   26.66333 198.5567   26.66333 ?          ?        139.0645 9.586678 ?        ?        ?         ?        
1 1 1 26 32 11 o 31.96692 14.99627 -20.99029  24.39412 -20.99029  24.39412 ?          ?        31.96692 14.99627 ?        ?        ?         ?        
1 1 1 26 33 0  o 85.91824 23.33934 90.20149   34.60560 90.20149   34.60560 90.20149   34.60560 85.91824 23.33934 85.91824 23.33934 -0.000000 0.000000 
1 1 1 26 33 1  o 225.6507 8.170776 513.4110   36.87482 513.4110   36.87482 ?          ?        225.6507 8.170776 ?        ?        ?         ?        
1 1 1 26 33 2  o 48.96526 18.84403 17.58645   26.09603 17.58645   26.09603 ?          ?        48.96526 18.84403 ?        ?        ?         ?        
1 1 1 26 33 3  o 124.7346 10.46062 157.7108   26.09603 157.7108   26.09603 ?          ?        124.7346 10.46062 ?        ?        ?         ?        
1 1 1 26 33 4  o 24.95633 12.41718 -60.13433  24.39412 -60.13433  24.39412 ?          ?        24.95633 12.41718 ?        ?        ?         ?        
1 1 1 26 33 5  o 51.73697 18.91473 23.82681   25.52872 23.82681   25.52872 ?          ?        51.73697 18.91473 ?        ?        ?         ?        
1 1 1 26 33 6  o 38.80312 17.06079 -4.538440  25.52872 -4.538440  25.52872 ?          ?        38.80312 17.06079 ?        ?        ?         ?        
1 1 1 26 33 7  o 113.8726 12.20572 133.3167   27.79794 133.3167   27.79794 ?          ?        113.8726 12.20572 ?        ?        ?         ?        
1 1 1 26 33 8  o 47.76738 18.42009 18.15376   24.96142 18.15376   24.96142 ?          ?        47.76738 18.42009 ?        ?        ?         ?        
1 1 1 26 33 9  o 191.2282 8.603251 372.7193   32.90369 372.7193   32.90369 ?          ?        191.2282 8.603251 ?        ?        ?         ?        
1 1 1 26 33 10 o 100.7737 15.19963 108.9226   30.63447 108.9226   30.63447 ?          ?        100.7737 15.19963 ?        ?        ?         ?        
1 1 1 26 33 11 o 104.4173 11.40942 114.0283   23.82681 114.0283   23.82681 ?          ?        104.4173 11.40942 ?        ?        ?         ?        
1 1 1 26 34 0  o 120.5848 20.72371 159.4127   45.95170 159.4127   45.95170 159.4127   45.95170 120.5848 20.72371 120.5848 20.72371 -0.000000 0.000000 
1 1 1 26 34 1  o 36.57598 16.67971 -16.45185  27.23064 -16.45185  27.23064 ?          ?        36.57598 16.67971 ?        ?        ?         ?        
1 1 1 26 34 2  o 54.96372 19.40507 28.36525   26.66333 28.36525   26.66333 ?          ?        54.96372 19.40507 ?        ?        ?         ?        
1 1 1 26 34 3  o 183.6511 8.803754 340.9503   32.33638 340.9503   32.33638 ?          ?        183.6511 8.803754 ?        ?        ?         ?        
1 1 1 26 34 4  o 55.48418 18.83549 30.63447   24.96142 30.63447   24.96142 ?          ?        55.48418 18.83549 ?        ?        ?         ?        
1 1 1 26 34 5  o 60.78275 19.21125 39.14404   26.09603 39.14404   26.09603 ?          ?        60.78275 19.21125 ?        ?        ?         ?        
1 1 1 26 34 6  o 264.2175 8.051676 705.7274   42.54787 705.7274   42.54787 ?          ?        264.2175 8.051676 ?        ?        ?         ?        
1 1 1 26 34 7  o 92.10208 12.93500 87.93227   23.82681 87.93227   23.82681 ?          ?        92.10208 12.93500 ?        ?        ?         ?        
1 1 1 26 34 8  o 39.24016 17.15792 -1.701915  25.52872 -1.701915  25.52872 ?          ?        39.24016 17.15792 ?        ?        ?         ?        
1 1 1 26 34 9  o 52.43013 18.55586 27.79794   24.39412 27.79794   24.39412 ?          ?        52.43013 18.55586 ?        ?        ?         ?        
1 1 1 26 34 10 o 209.4284 8.261917 448.1709   34.60560 448.1709   34.60560 ?          ?        209.4284 8.261917 ?        ?        ?         ?        
1 1 1 26 35 0  o 265.6410 11.68777 715.9388   61.83624 715.9388   61.83624 715.9388   61.83624 265.6410 11.68777 265.6410 11.68777 -0.000000 0.000000 
1 1 1 26 35 1  o 86.06172 16.08753 78.85539   26.66333 78.85539   26.66333 ?          ?        86.06172 16.08753 ?        ?        ?         ?        
1 1 1 26 35 2  o 190.4981 8.338423 366.4790   31.76908 366.4790   31.76908 ?          ?        190.4981 8.338423 ?        ?        ?         ?        
1 1 1 26 35 3  o 45.43017 18.29161 11.34610   25.52872 11.34610   25.52872 ?          ?        45.43017 18.29161 ?        ?        ?         ?        
1 1 1 26 35 4  o 124.2812 10.49879 157.1435   26.09603 157.1435   26.09603 ?          ?        124.2812 10.49879 ?        ?        ?         ?        
1 1 1 26 35 5  o 110.4142 14.12942 125.9417   31.20177 125.9417   31.20177 ?          ?        110.4142 14.12942 ?        ?        ?         ?        
1 1 1 26 35 6  o 61.91689 18.63929 41.41326   24.96142 41.41326   24.96142 ?          ?        61.91689 18.63929 ?        ?        ?         ?        
1 1 1 26 35 7  o 143.6379 10.07135 211.0374   28.93255 211.0374   28.93255 ?          ?        143.6379 10.07135 ?        ?        ?         ?        
1 1 1 26 35 8  o 71.47619 16.91068 56.73050   23.82681 56.73050   23.82681 ?          ?        71.47619 16.91068 ?        ?        ?         ?        
1 1 1 26 35 9  o 65.13267 17.48481 47.65361   23.25950 47.65361   23.25950 ?          ?        65.13267 17.48481 ?        ?        ?         ?        
1 1 1 26 35 10 o 141.9068 9.394664 207.0663   26.66333 207.0663   26.66333 ?          ?        141.9068 9.394664 ?        ?        ?         ?        
1 1 1 26 36 0  o 45.78951 26.10598 30.06716   36.87482 30.06716   36.87482 30.06716   36.87482 45.78951 26.10598 45.78951 26.10598 -0.000000 0.000000 
1 1 1 26 36 1  o 110.4981 12.32176 124.8071   27.23064 124.8071   27.23064 ?          ?        110.4981 12.32176 ?        ?        ?         ?        
1 1 1 26 36 2  o 57.85609 19.25877 34.03830   26.09603 34.03830   26.09603 ?          ?        57.85609 19.25877 ?        ?        ?         ?        
1 1 1 26 36 3  o 45.19934 18.00375 12.48071   24.39412 12.48071   24.39412 ?          ?        45.19934 18.00375 ?        ?        ?         ?        
1 1 1 26 36 4  o 76.86337 18.31711 64.67276   27.79794 64.67276   27.79794 ?          ?        76.86337 18.31711 ?        ?        ?         ?        
1 1 1 26 36 5  o 135.7249 9.822564 187.2106   26.66333 187.2106   26.66333 ?          ?        135.7249 9.822564 ?        ?        ?         ?        
1 1 1 26 36 6  o 36.43728 16.63606 -15.31723  27.23064 -15.31723  27.23064 ?          ?        36.43728 16.63606 ?        ?        ?         ?        
1 1 1 26 36 7  o 100.8942 12.37009 105.5187   24.96142 105.5187   24.96142 ?          ?        100.8942 12.37009 ?        ?        ?         ?        
1 1 1 26 36 8  o 33.71386 15.60649 -17.58645  24.96142 -17.58645  24.96142 ?          ?        33.71386 15.60649 ?        ?        ?         ?        
1 1 1 26 36 9  o 39.69166 18.54539 -25.52872  36.30752 -25.52872  36.30752 ?          ?        39.69166 18.54539 ?        ?        ?         ?        
1 1 1 26 36 10 o 106.4338 12.25927 119.1340   26.09603 119.1340   26.09603 ?          ?        106.4338 12.25927 ?        ?        ?         ?        
1 1 1 26 37 0  o 35.17791 22.61847 5.105744   35.17290 5.105744   35.17290 5.105744   35.17290 35.17791 22.61847 35.17791 22.61847 -0.000000 0.000000 
1 1 1 26 37 1  o 176.8513 8.981859 316.5562   31.76908 316.5562   31.76908 ?          ?        176.8513 8.981859 ?        ?        ?         ?        
1 1 1 26 37 2  o 66.27351 19.08070 47.65361   26.66333 47.65361   26.66333 ?          ?        66.27351 19.08070 ?        ?        ?         ?        
1 1 1 26 37 3  o 49.47105 19.04587 18.72106   26.66333 18.72106   26.66333 ?          ?        49.47105 19.04587 ?        ?        ?         ?        
1 1 1 26 37 4  o 67.28674 19.51830 49.35553   27.79794 49.35553   27.79794 ?          ?        67.28674 19.51830 ?        ?        ?         ?        
1 1 1 26 37 5  o 91.94660 14.80785 87.93227   27.23064 87.93227   27.23064 ?          ?        91.94660 14.80785 ?        ?        ?         ?        
1 1 1 26 37 6  o 73.20298 19.15411 60.13433   28.36525 60.13433   28.36525 ?          ?        73.20298 19.15411 ?        ?        ?         ?        
1 1 1 26 37 7  o 88.38358 14.12107 82.25922   24.96142 82.25922   24.96142 ?          ?        88.38358 14.12107 ?        ?        ?         ?        
1 1 1 26 37 8  f 32.34743 15.26080 -26.09603  26.09603 -26.09603  26.09603 ?          ?        32.34743 15.26080 ?        ?        ?         ?        
1 1 1 26 37 9  o 67.26408 26.77042 45.95170   53.89397 45.95170   53.89397 ?          ?        67.26408 26.77042 ?        ?        ?         ?        
1 1 1 26 37 10 o 36.35759 16.35881 -7.374964  24.96142 -7.374964  24.96142 ?          ?        36.35759 16.35881 ?        ?        ?         ?        
1 1 1 26 38 0  o 117.5165 17.35883 146.9320   39.14404 146.9320   39.14404 146.9320   39.14404 117.5165 17.35883 117.5165 17.35883 -0.000000 0.000000 
1 1 1 26 38 1  o 105.6288 12.88979 114.5956   27.23064 114.5956   27.23064 ?          ?        105.6288 12.88979 ?        ?        ?         ?        
1 1 1 26 38 2  o 170.8714 8.632180 295.5659   29.49986 295.5659   29.49986 ?          ?        170.8714 8.632180 ?        ?        ?         ?        
1 1 1 26 38 3  o 138.9073 10.21014 196.2875   28.36525 196.2875   28.36525 ?          ?        138.9073 10.21014 ?        ?        ?         ?        
1 1 1 26 38 4  o 47.02382 18.19376 16.45185   24.39412 16.45185   24.39412 ?          ?        47.02382 18.19376 ?        ?        ?         ?        
1 1 1 26 38 5  o 184.4625 8.457483 345.4887   31.20177 345.4887   31.20177 ?          ?        184.4625 8.457483 ?        ?        ?         ?        
1 1 1 26 38 6  o 100.4975 12.98342 104.9514   26.09603 104.9514   26.09603 ?          ?        100.4975 12.98342 ?        ?        ?         ?        
1 1 1 26 38 7  o 113.2160 12.02597 132.7494   27.23064 132.7494   27.23064 ?          ?        113.2160 12.02597 ?        ?        ?         ?        
1 1 1 26 38 8  o 62.00467 18.63397 43.11518   24.96142 43.11518   24.96142 ?          ?        62.00467 18.63397 ?        ?        ?         ?        
1 1 1 26 38 9  o 37.34184 18.31292 -76.58617  46.51900 -76.58617  46.51900 ?          ?        37.34184 18.31292 ?        ?        ?         ?        
1 1 1 26 39 0  o 29.74231 20.66998 -27.23064  40.84595 -27.23064  40.84595 -27.23064  40.84595 29.74231 20.66998 29.74231 20.66998 -0.000000 0.000000 
1 1 1 26 39 1  o 46.47044 17.98069 15.88454   23.82681 15.88454   23.82681 ?          ?        46.47044 17.98069 ?        ?        ?         ?        
1 1 1 26 39 2  o 62.43967 18.60761 41.98057   24.96142 41.98057   24.96142 ?          ?        62.43967 18.60761 ?        ?        ?         ?        
1 1 1 26 39 3  o 142.9830 9.522332 207.6336   27.23064 207.6336   27.23064 ?          ?        142.9830 9.522332 ?        ?        ?         ?        
1 1 1 26 39 4  o 151.3995 8.618270 232.5950   26.09603 232.5950   26.09603 ?          ?        151.3995 8.618270 ?        ?        ?         ?        
1 1 1 26 39 5  o 75.60236 16.93216 62.97085   24.96142 62.97085   24.96142 ?          ?        75.60236 16.93216 ?        ?        ?         ?        
1 1 1 26 39 6  o 116.6614 11.91395 141.2589   27.79794 141.2589   27.79794 ?          ?        116.6614 11.91395 ?        ?        ?         ?        
1 1 1 26 39 7  o 95.79274 13.62109 96.44185   26.09603 96.44185   26.09603 ?          ?        95.79274 13.62109 ?        ?        ?         ?        
1 1 1 26 39 8  o 70.66730 16.70101 56.16319   23.25950 56.16319   23.25950 ?          ?        70.66730 16.70101 ?        ?        ?         ?        
1 1 1 26 39 9  o 29.41041 14.21971 -36.30752  25.52872 -36.30752  25.52872 ?          ?        29.41041 14.21971 ?        ?        ?         ?        
1 1 1 26 40 0  o 95.87444 20.96987 106.6533   35.17290 106.6533   35.17290 106.6533   35.17290 95.87444 20.96987 95.87444 20.96987 -0.000000 0.000000 
1 1 1 26 40 1  o 161.0594 9.334187 263.2295   30.06716 263.2295   30.06716 ?          ?        161.0594 9.334187 ?        ?        ?         ?        
1 1 1 26 40 2  o 45.04996 17.98504 12.48071   24.39412 12.48071   24.39412 ?          ?        45.04996 17.98504 ?        ?        ?         ?        
1 1 1 26 40 3  o 193.2409 7.779712 377.8251   30.06716 377.8251   30.06716 ?          ?        193.2409 7.779712 ?        ?        ?         ?        
1 1 1 26 40 4  o 79.51832 17.25018 69.77851   26.66333 69.77851   26.66333 ?          ?        79.51832 17.25018 ?        ?        ?         ?        
1 1 1 26 40 5  o 42.35097 17.67886 6.807660   24.96142 6.807660   24.96142 ?          ?        42.35097 17.67886 ?        ?        ?         ?        
1 1 1 26 40 6  o 48.21985 18.46428 19.28837   24.96142 19.28837   24.96142 ?          ?        48.21985 18.46428 ?        ?        ?         ?        
1 1 1 26 40 7  o 38.14170 16.81513 -3.403830  24.96142 -3.403830  24.96142 ?          ?        38.14170 16.81513 ?        ?        ?         ?        
1 1 1 26 40 8  o 61.65600 18.13038 43.11518   23.82681 43.11518   23.82681 ?          ?        61.65600 18.13038 ?        ?        ?         ?        
1 1 1 26 40 9  o 54.74502 18.40241 32.90369   23.82681 32.90369   23.82681 ?          ?        54.74502 18.40241 ?        ?        ?         ?        
1 1 1 26 41 0  o 23.90793 17.05531 -37.44213  32.90369 -37.44213  32.90369 -37.44213  32.90369 23.90793 17.05531 23.90793 17.05531 -0.000000 0.000000 
1 1 1 26 41 1  o 222.0456 8.175688 499.2284   36.30752 499.2284   36.30752 ?          ?        222.0456 8.175688 ?        ?        ?         ?        
1 1 1 26 41 2  o 169.6423 9.697964 293.2967   32.90369 293.2967   32.90369 ?          ?        169.6423 9.697964 ?        ?        ?         ?        
1 1 1 26 41 3  o 121.5138 11.43818 152.0377   27.79794 152.0377   27.79794 ?          ?        121.5138 11.43818 ?        ?        ?         ?        
1 1 1 26 41 4  o 61.87204 19.14647 41.98057   26.09603 41.98057   26.09603 ?          ?        61.87204 19.14647 ?        ?        ?         ?        
1 1 1 26 41 5  o 69.84298 17.15813 54.46128   23.82681 54.46128   23.82681 ?          ?        69.84298 17.15813 ?        ?        ?         ?        
1 1 1 26 41 6  o 140.0770 10.32738 201.9606   28.93255 201.9606   28.93255 ?          ?        140.0770 10.32738 ?        ?        ?         ?        
1 1 1 26 41 7  o 179.8062 8.045485 329.6042   28.93255 329.6042   28.93255 ?          ?        179.8062 8.045485 ?        ?        ?         ?        
1 1 1 26 41 8  o 36.81749 16.63722 -9.076880  26.09603 -9.076880  26.09603 ?          ?        36.81749 16.63722 ?        ?        ?         ?        
1 1 1 26 42 0  o 20.87493 15.33148 -72.04772  35.74022 -72.04772  35.74022 -72.04772  35.74022 20.87493 15.33148 20.87493 15.33148 -0.000000 0.000000 
1 1 1 26 42 1  o 87.76298 15.76334 83.39383   26.66333 83.39383   26.66333 ?          ?        87.76298 15.76334 ?        ?        ?         ?        
1 1 1 26 42 2  o 86.40568 16.03021 81.12460   26.66333 81.12460   26.66333 ?          ?        86.40568 16.03021 ?        ?        ?         ?        
1 1 1 26 42 3  o 117.3852 11.35719 141.8262   26.66333 141.8262   26.66333 ?          ?        117.3852 11.35719 ?        ?        ?         ?        
1 1 1 26 42 4  o 87.31165 15.85363 83.39383   26.66333 83.39383   26.66333 ?          ?        87.31165 15.85363 ?        ?        ?         ?        
1 1 1 26 42 5  o 135.3883 9.846984 187.7779   26.66333 187.7779   26.66333 ?          ?        135.3883 9.846984 ?        ?        ?         ?        
1 1 1 26 42 6  o 41.78258 17.68123 5.105744   25.52872 5.105744   25.52872 ?          ?        41.78258 17.68123 ?        ?        ?         ?        
1 1 1 26 42 7  o 89.37991 14.28102 85.09574   25.52872 85.09574   25.52872 ?          ?        89.37991 14.28102 ?        ?        ?         ?        
1 1 1 26 42 8  o 86.92619 16.26549 84.52843   27.23064 84.52843   27.23064 ?          ?        86.92619 16.26549 ?        ?        ?         ?        
1 1 1 26 43 0  o 25.83903 18.28429 -34.03830  35.74022 -34.03830  35.74022 -34.03830  35.74022 25.83903 18.28429 25.83903 18.28429 -0.000000 0.000000 
1 1 1 26 43 1  o 111.2979 12.48808 128.2109   27.79794 128.2109   27.79794 ?          ?        111.2979 12.48808 ?        ?        ?         ?        
1 1 1 26 43 2  o 145.0016 9.781013 215.0086   28.36525 215.0086   28.36525 ?          ?        145.0016 9.781013 ?        ?        ?         ?        
1 1 1 26 43 3  o 104.7278 12.18813 114.0283   25.52872 114.0283   25.52872 ?          ?        104.7278 12.18813 ?        ?        ?         ?        
1 1 1 26 43 4  o 63.12708 19.31682 44.24979   26.66333 44.24979   26.66333 ?          ?        63.12708 19.31682 ?        ?        ?         ?        
1 1 1 26 43 5  o 59.94478 19.23834 39.71135   26.09603 39.71135   26.09603 ?          ?        59.94478 19.23834 ?        ?        ?         ?        
1 1 1 26 43 6  o 46.66602 18.61074 15.88454   26.09603 15.88454   26.09603 ?          ?        46.66602 18.61074 ?        ?        ?         ?        
1 1 1 26 43 7  o 34.08416 15.71230 -15.31723  24.96142 -15.31723  24.96142 ?          ?        34.08416 15.71230 ?        ?        ?         ?        
1 1 1 26 43 8  o 84.38549 15.35806 78.85539   24.96142 78.85539   24.96142 ?          ?        84.38549 15.35806 ?        ?        ?         ?        
1 1 1 26 44 0  o 148.5160 13.78211 231.4604   40.27865 231.4604   40.27865 231.4604   40.27865 148.5160 13.78211 148.5160 13.78211 -0.000000 0.000000 
1 1 1 26 44 1  o 94.99751 13.73511 94.73994   26.09603 94.73994   26.09603 ?          ?        94.99751 13.73511 ?        ?        ?         ?        
1 1 1 26 44 2  o 90.41165 13.49058 85.66305   24.39412 85.66305   24.39412 ?          ?        90.41165 13.49058 ?        ?        ?         ?        
1 1 1 26 44 3  o 73.18240 17.30497 59.56702   24.96142 59.56702   24.96142 ?          ?        73.18240 17.30497 ?        ?        ?         ?        
1 1 1 26 44 4  o 82.49422 16.74393 75.45156   26.66333 75.45156   26.66333 ?          ?        82.49422 16.74393 ?        ?        ?         ?        
1 1 1 26 44 5  o 81.36262 16.26326 73.18234   25.52872 73.18234   25.52872 ?          ?        81.36262 16.26326 ?        ?        ?         ?        
1 1 1 26 44 6  o 65.20823 18.91006 48.78823   26.09603 48.78823   26.09603 ?          ?        65.20823 18.91006 ?        ?        ?         ?        
1 1 1 26 44 7  o 43.27853 18.28503 7.374964   27.23064 7.374964   27.23064 ?          ?        43.27853 18.28503 ?        ?        ?         ?        
1 1 1 26 45 0  f 99.31410 20.34491 114.0283   35.74022 114.0283   35.74022 114.0283   35.74022 99.31410 20.34491 99.31410 20.34491 -0.000000 0.000000 
1 1 1 26 45 1  o 80.91372 17.32889 72.61504   27.23064 72.61504   27.23064 ?          ?        80.91372 17.32889 ?        ?        ?         ?        
1 1 1 26 45 2  o 62.68522 19.09594 43.68248   26.09603 43.68248   26.09603 ?          ?        62.68522 19.09594 ?        ?        ?         ?        
1 1 1 26 45 3  o 84.56121 16.34918 78.85539   26.66333 78.85539   26.66333 ?          ?        84.56121 16.34918 ?        ?        ?         ?        
1 1 1 26 45 4  o 65.63360 19.40837 48.78823   27.23064 48.78823   27.23064 ?          ?        65.63360 19.40837 ?        ?        ?         ?        
1 1 1 26 45 5  o 54.51514 19.20250 31.20177   26.09603 31.20177   26.09603 ?          ?        54.51514 19.20250 ?        ?        ?         ?        
1 1 1 26 45 6  o 36.46638 16.54871 -10.21149  26.09603 -10.21149  26.09603 ?          ?        36.46638 16.54871 ?        ?        ?         ?        
1 1 1 26 45 7  o 212.2126 8.554514 461.7863   36.30752 461.7863   36.30752 ?          ?        212.2126 8.554514 ?        ?        ?         ?        
1 1 1 26 46 0  o 35.87309 23.41713 3.403830   39.71135 3.403830   39.71135 3.403830   39.71135 35.87309 23.41713 35.87309 23.41713 -0.000000 0.000000 
1 1 1 26 46 1  o 63.96410 17.91697 45.95170   23.82681 45.95170   23.82681 ?          ?        63.96410 17.91697 ?        ?        ?         ?        
1 1 1 26 46 2  o 39.37082 17.08969 0.000000   24.96142 0.000000   24.96142 ?          ?        39.37082 17.08969 ?        ?        ?         ?        
1 1 1 26 46 3  o 113.8553 12.20757 135.0186   27.79794 135.0186   27.79794 ?          ?        113.8553 12.20757 ?        ?        ?         ?        
1 1 1 26 46 4  o 54.87925 19.58663 31.20177   27.23064 31.20177   27.23064 ?          ?        54.87925 19.58663 ?        ?        ?         ?        
1 1 1 26 46 5  o 97.75528 13.34763 100.9803   26.09603 100.9803   26.09603 ?          ?        97.75528 13.34763 ?        ?        ?         ?        
1 1 1 26 46 6  o 56.24372 19.44848 34.60560   26.66333 34.60560   26.66333 ?          ?        56.24372 19.44848 ?        ?        ?         ?        
1 1 1 26 47 0  o 35.40419 22.90034 5.673049   36.87482 5.673049   36.87482 5.673049   36.87482 35.40419 22.90034 35.40419 22.90034 -0.000000 0.000000 
1 1 1 26 47 1  o 59.67725 19.46700 39.14404   26.66333 39.14404   26.66333 ?          ?        59.67725 19.46700 ?        ?        ?         ?        
1 1 1 26 47 2  o 56.90389 18.83545 35.17290   24.96142 35.17290   24.96142 ?          ?        56.90389 18.83545 ?        ?        ?         ?        
1 1 1 26 47 3  o 35.19838 15.98038 -10.21149  24.39412 -10.21149  24.39412 ?          ?        35.19838 15.98038 ?        ?        ?         ?        
1 1 1 26 47 4  o 128.9272 10.34046 171.8934   26.66333 171.8934   26.66333 ?          ?        128.9272 10.34046 ?        ?        ?         ?        
1 1 1 26 47 5  o 81.59385 17.87154 76.01886   28.36525 76.01886   28.36525 ?          ?        81.59385 17.87154 ?        ?        ?         ?        
1 1 1 26 47 6  o 48.46985 19.11109 19.28837   27.23064 19.28837   27.23064 ?          ?        48.46985 19.11109 ?        ?        ?         ?        
1 1 1 26 48 0  o 204.6393 12.28973 432.8537   49.92284 432.8537   49.92284 432.8537   49.92284 204.6393 12.28973 204.6393 12.28973 -0.000000 0.000000 
1 1 1 26 48 1  o 111.5972 12.96293 131.0475   28.93255 131.0475   28.93255 ?          ?        111.5972 12.96293 ?        ?        ?         ?        
1 1 1 26 48 2  o 63.03695 19.32245 45.38440   26.66333 45.38440   26.66333 ?          ?        63.03695 19.32245 ?        ?        ?         ?        
1 1 1 26 48 3  o 48.68917 19.27379 18.72106   27.79794 18.72106   27.79794 ?          ?        48.68917 19.27379 ?        ?        ?         ?        
1 1 1 26 48 4  o 36.53553 16.73393 -14.18262  27.79794 -14.18262  27.79794 ?          ?        36.53553 16.73393 ?        ?        ?         ?        
1 1 1 26 48 5  o 60.23700 19.22891 41.41326   26.09603 41.41326   26.09603 ?          ?        60.23700 19.22891 ?        ?        ?         ?        
1 1 1 26 49 0  o 38.45786 24.89270 8.509575   43.68248 8.509575   43.68248 8.509575   43.68248 38.45786 24.89270 38.45786 24.89270 -0.000000 0.000000 
1 1 1 26 49 1  o 48.18035 18.61809 19.85567   25.52872 19.85567   25.52872 ?          ?        48.18035 18.61809 ?        ?        ?         ?        
1 1 1 26 49 2  o 28.90621 14.10303 -44.24979  26.66333 -44.24979  26.66333 ?          ?        28.90621 14.10303 ?        ?        ?         ?        
1 1 1 26 49 3  o 55.20101 19.03574 32.90369   25.52872 32.90369   25.52872 ?          ?        55.20101 19.03574 ?        ?        ?         ?        
1 1 1 26 49 4  o 42.51199 18.51751 1.701915   29.49986 1.701915   29.49986 ?          ?        42.51199 18.51751 ?        ?        ?         ?        
1 1 1 26 50 0  o 62.05631 27.06023 60.13433   34.60560 60.13433   34.60560 60.13433   34.60560 62.05631 27.06023 62.05631 27.06023 -0.000000 0.000000 
1 1 1 26 50 1  o 95.31903 15.47428 98.14376   29.49986 98.14376   29.49986 ?          ?        95.31903 15.47428 ?        ?        ?         ?        
1 1 1 26 50 2  o 93.63692 13.93469 93.60532   26.09603 93.60532   26.09603 ?          ?        93.63692 13.93469 ?        ?        ?         ?        
1 1 1 26 50 3  o 66.03172 18.56195 50.49014   25.52872 50.49014   25.52872 ?          ?        66.03172 18.56195 ?        ?        ?         ?        
1 1 1 26 51 0  o 20.26233 14.98440 -85.09574  37.44213 -85.09574  37.44213 -85.09574  37.44213 20.26233 14.98440 20.26233 14.98440 -0.000000 0.000000 
1 1 1 26 51 1  o 75.53615 18.82241 66.37468   28.36525 66.37468   28.36525 ?          ?        75.53615 18.82241 ?        ?        ?         ?        
1 1 1 26 51 2  o 38.57690 16.91626 -1.134610  24.96142 -1.134610  24.96142 ?          ?        38.57690 16.91626 ?        ?        ?         ?        
1 1 1 27 0  1  o 33.92201 24.56216 -129.9128  79.99000 -129.9128  79.99000 -129.9128  79.99000 33.92201 24.56216 33.92201 24.56216 -0.000000 0.000000 
1 1 1 27 0  3  o 52.37787 30.56759 35.17290   52.19205 35.17290   52.19205 35.17290   52.19205 52.37787 30.56759 52.37787 30.56759 -0.000000 0.000000 
1 1 1 27 0  4  o 91.85486 42.38718 127.6436   85.09574 127.6436   85.09574 127.6436   85.09574 91.85486 42.38718 91.85486 42.38718 -0.000000 0.000000 
1 1 1 27 0  5  o 71.83515 38.99463 77.72078   77.72078 77.72078   77.72078 77.72078   77.72078 71.83515 38.99463 71.83515 38.99463 -0.000000 0.000000 
1 1 1 27 0  6  o 126.9116 35.42783 199.6914   77.72078 199.6914   77.72078 199.6914   77.72078 126.9116 35.42783 126.9116 35.42783 -0.000000 0.000000 
1 1 1 27 0  7  o 37.21142 25.38528 -24.39412  55.59589 -24.39412  55.59589 -24.39412  55.59589 37.21142 25.38528 37.21142 25.38528 -0.000000 0.000000 
1 1 1 27 0  8  o 91.98322 42.12220 132.1821   83.96114 132.1821   83.96114 132.1821   83.96114 91.98322 42.12220 91.98322 42.12220 -0.000000 0.000000 
1 1 1 27 0  9  o 63.83816 32.09225 64.10546   49.92284 64.10546   49.92284 64.10546   49.92284 63.83816 32.09225 63.83816 32.09225 -0.000000 0.000000 
1 1 1 27 0  10 o 77.00287 37.80554 97.00916   68.64390 97.00916   68.64390 97.00916   68.64390 77.00287 37.80554 77.00287 37.80554 -0.000000 0.000000 
1 1 1 27 0  11 o 124.5078 23.25662 175.8645   52.19205 175.8645   52.19205 175.8645   52.19205 124.5078 23.25662 124.5078 23.25662 -0.000000 0.000000 
1 1 1 27 0  12 o 20.26912 15.00982 -89.63419  38.00943 -89.63419  38.00943 -89.63419  38.00943 20.26912 15.00982 20.26912 15.00982 -0.000000 0.000000 
1 1 1 27 0  13 o 47.89181 27.29164 36.30752   40.27865 36.30752   40.27865 36.30752   40.27865 47.89181 27.29164 47.89181 27.29164 -0.000000 0.000000 
1 1 1 27 0  14 o 56.17517 27.32609 52.19205   35.74022 52.19205   35.74022 52.19205   35.74022 56.17517 27.32609 56.17517 27.32609 -0.000000 0.000000 
1 1 1 27 1  1  o 87.54227 26.89720 79.42269   51.62476 79.42269   51.62476 ?          ?        87.54227 26.89720 ?        ?        ?         ?        
1 1 1 27 1  3  o 155.9409 22.00959 248.4796   68.64390 248.4796   68.64390 ?          ?        155.9409 22.00959 ?        ?        ?         ?        
1 1 1 27 1  4  o 318.6342 17.89329 1030.793   114.0283 1030.793   114.0283 ?          ?        318.6342 17.89329 ?        ?        ?         ?        
1 1 1 27 1  5  o 193.6106 18.31333 381.7962   70.91312 381.7962   70.91312 ?          ?        193.6106 18.31333 ?        ?        ?         ?        
1 1 1 27 1  6  o 294.6110 15.59742 882.7266   91.90340 882.7266   91.90340 ?          ?        294.6110 15.59742 ?        ?        ?         ?        
1 1 1 27 1  7  o 67.34705 25.59229 35.74022   47.65361 35.74022   47.65361 ?          ?        67.34705 25.59229 ?        ?        ?         ?        
1 1 1 27 1  8  o 150.8533 14.85453 232.5950   44.81709 232.5950   44.81709 ?          ?        150.8533 14.85453 ?        ?        ?         ?        
1 1 1 27 1  9  o 95.59911 20.20668 99.27837   37.44213 99.27837   37.44213 ?          ?        95.59911 20.20668 ?        ?        ?         ?        
1 1 1 27 1  10 o 150.1892 14.54249 233.1623   43.68248 233.1623   43.68248 ?          ?        150.1892 14.54249 ?        ?        ?         ?        
1 1 1 27 1  11 o 134.5811 11.38142 185.5087   30.63447 185.5087   30.63447 ?          ?        134.5811 11.38142 ?        ?        ?         ?        
1 1 1 27 1  12 o 51.29317 19.67084 22.69220   28.36525 22.69220   28.36525 ?          ?        51.29317 19.67084 ?        ?        ?         ?        
1 1 1 27 1  13 o 96.97602 14.33238 99.84568   27.79794 99.84568   27.79794 ?          ?        96.97602 14.33238 ?        ?        ?         ?        
1 1 1 27 1  14 o 44.51199 18.28130 11.91340   26.09603 11.91340   26.09603 ?          ?        44.51199 18.28130 ?        ?        ?         ?        
1 1 1 27 2  1  o 66.70653 25.98223 29.49986   49.92284 29.49986   49.92284 ?          ?        66.70653 25.98223 ?        ?        ?         ?        
1 1 1 27 2  3  o 92.62610 29.30255 88.49958   60.70163 88.49958   60.70163 ?          ?        92.62610 29.30255 ?        ?        ?         ?        
1 1 1 27 2  4  o 171.1910 18.39199 297.8351   62.97085 297.8351   62.97085 ?          ?        171.1910 18.39199 ?        ?        ?         ?        
1 1 1 27 2  5  f 113.1160 27.55029 138.4224   61.83624 138.4224   61.83624 ?          ?        113.1160 27.55029 ?        ?        ?         ?        
1 1 1 27 2  6  o 248.4882 24.20008 642.7565   120.2687 642.7565   120.2687 ?          ?        248.4882 24.20008 ?        ?        ?         ?        
1 1 1 27 2  7  o 58.20413 23.63316 16.45185   43.11518 16.45185   43.11518 ?          ?        58.20413 23.63316 ?        ?        ?         ?        
1 1 1 27 2  8  o 102.2641 18.42423 111.1918   36.30752 111.1918   36.30752 ?          ?        102.2641 18.42423 ?        ?        ?         ?        
1 1 1 27 2  9  f 105.2497 15.36175 114.0283   32.33638 114.0283   32.33638 ?          ?        105.2497 15.36175 ?        ?        ?         ?        
1 1 1 27 2  10 o 123.1942 15.65688 157.7108   38.57674 157.7108   38.57674 ?          ?        123.1942 15.65688 ?        ?        ?         ?        
1 1 1 27 2  11 o 51.49525 19.83674 20.99029   28.93255 20.99029   28.93255 ?          ?        51.49525 19.83674 ?        ?        ?         ?        
1 1 1 27 2  12 o 39.97638 17.00611 3.403830   23.82681 3.403830   23.82681 ?          ?        39.97638 17.00611 ?        ?        ?         ?        
1 1 1 27 2  13 o 74.77198 18.01612 63.53815   26.66333 63.53815   26.66333 ?          ?        74.77198 18.01612 ?        ?        ?         ?        
1 1 1 27 2  14 o 59.26218 19.46700 39.71135   26.66333 39.71135   26.66333 ?          ?        59.26218 19.46700 ?        ?        ?         ?        
1 1 1 27 3  1  o 286.9000 13.14945 829.3998   75.45156 829.3998   75.45156 ?          ?        286.9000 13.14945 ?        ?        ?         ?        
1 1 1 27 3  2  o 231.6485 16.53069 543.4781   76.58617 543.4781   76.58617 ?          ?        231.6485 16.53069 ?        ?        ?         ?        
1 1 1 27 3  3  o 199.1526 17.80371 402.2192   70.91312 402.2192   70.91312 ?          ?        199.1526 17.80371 ?        ?        ?         ?        
1 1 1 27 3  4  o 229.2468 16.70387 532.6994   76.58617 532.6994   76.58617 ?          ?        229.2468 16.70387 ?        ?        ?         ?        
1 1 1 27 3  5  o 67.08537 27.24262 21.55759   57.29780 21.55759   57.29780 ?          ?        67.08537 27.24262 ?        ?        ?         ?        
1 1 1 27 3  6  o 239.4799 24.39971 597.3721   116.8648 597.3721   116.8648 ?          ?        239.4799 24.39971 ?        ?        ?         ?        
1 1 1 27 3  7  o 117.2487 18.62813 141.2589   43.68248 141.2589   43.68248 ?          ?        117.2487 18.62813 ?        ?        ?         ?        
1 1 1 27 3  8  o 183.3933 12.21885 341.5176   44.81709 341.5176   44.81709 ?          ?        183.3933 12.21885 ?        ?        ?         ?        
1 1 1 27 3  9  o 167.3288 11.69674 284.7871   39.14404 284.7871   39.14404 ?          ?        167.3288 11.69674 ?        ?        ?         ?        
1 1 1 27 3  10 o 55.53831 20.95710 26.09603   31.76908 26.09603   31.76908 ?          ?        55.53831 20.95710 ?        ?        ?         ?        
1 1 1 27 3  11 o 65.04768 20.40289 45.95170   29.49986 45.95170   29.49986 ?          ?        65.04768 20.40289 ?        ?        ?         ?        
1 1 1 27 3  12 o 103.7889 14.21148 113.4610   29.49986 113.4610   29.49986 ?          ?        103.7889 14.21148 ?        ?        ?         ?        
1 1 1 27 3  13 o 43.52747 18.00554 9.644185   25.52872 9.644185   25.52872 ?          ?        43.52747 18.00554 ?        ?        ?         ?        
1 1 1 27 3  14 f 50.22929 18.98215 23.82681   26.09603 23.82681   26.09603 ?          ?        50.22929 18.98215 ?        ?        ?         ?        
1 1 1 27 4  1  o 100.0110 20.55873 105.5187   39.71135 105.5187   39.71135 ?          ?        100.0110 20.55873 ?        ?        ?         ?        
1 1 1 27 4  2  o 119.9078 32.19635 156.0089   78.85539 156.0089   78.85539 ?          ?        119.9078 32.19635 ?        ?        ?         ?        
1 1 1 27 4  3  o 190.8518 20.51018 371.0175   78.28809 371.0175   78.28809 ?          ?        190.8518 20.51018 ?        ?        ?         ?        
1 1 1 27 4  4  o 114.2554 23.86543 138.9897   52.75936 138.9897   52.75936 ?          ?        114.2554 23.86543 ?        ?        ?         ?        
1 1 1 27 4  5  o 191.0271 15.59125 369.8828   59.56702 369.8828   59.56702 ?          ?        191.0271 15.59125 ?        ?        ?         ?        
1 1 1 27 4  6  o 139.6669 17.26283 199.1240   48.22092 199.1240   48.22092 ?          ?        139.6669 17.26283 ?        ?        ?         ?        
1 1 1 27 4  7  o 70.10194 24.68337 46.51900   43.11518 46.51900   43.11518 ?          ?        70.10194 24.68337 ?        ?        ?         ?        
1 1 1 27 4  8  o 116.8395 15.78012 140.1243   36.87482 140.1243   36.87482 ?          ?        116.8395 15.78012 ?        ?        ?         ?        
1 1 1 27 4  9  o 43.89795 19.51970 -10.21149  34.60560 -10.21149  34.60560 ?          ?        43.89795 19.51970 ?        ?        ?         ?        
1 1 1 27 4  10 o 64.93112 20.84478 44.81709   30.63447 44.81709   30.63447 ?          ?        64.93112 20.84478 ?        ?        ?         ?        
1 1 1 27 4  11 o 89.46014 17.75281 87.36497   30.63447 87.36497   30.63447 ?          ?        89.46014 17.75281 ?        ?        ?         ?        
1 1 1 27 4  12 o 108.2012 14.68056 123.6725   31.76908 123.6725   31.76908 ?          ?        108.2012 14.68056 ?        ?        ?         ?        
1 1 1 27 4  13 o 36.42321 16.83827 -18.15376  28.93255 -18.15376  28.93255 ?          ?        36.42321 16.83827 ?        ?        ?         ?        
1 1 1 27 4  14 o 63.06220 19.56706 45.95170   27.23064 45.95170   27.23064 ?          ?        63.06220 19.56706 ?        ?        ?         ?        
1 1 1 27 5  1  o 157.7056 23.02234 254.7199   72.61504 254.7199   72.61504 ?          ?        157.7056 23.02234 ?        ?        ?         ?        
1 1 1 27 5  2  o 225.0039 19.28804 515.1129   86.79766 515.1129   86.79766 ?          ?        225.0039 19.28804 ?        ?        ?         ?        
1 1 1 27 5  3  o 80.24390 28.05099 60.13433   55.59589 60.13433   55.59589 ?          ?        80.24390 28.05099 ?        ?        ?         ?        
1 1 1 27 5  4  o 235.4963 14.45386 560.4974   68.07660 560.4974   68.07660 ?          ?        235.4963 14.45386 ?        ?        ?         ?        
1 1 1 27 5  5  o 140.7663 20.95663 203.0952   58.99971 203.0952   58.99971 ?          ?        140.7663 20.95663 ?        ?        ?         ?        
1 1 1 27 5  6  o 185.2367 13.93481 347.7579   51.62476 347.7579   51.62476 ?          ?        185.2367 13.93481 ?        ?        ?         ?        
1 1 1 27 5  7  f 92.98025 21.20659 93.03801   38.57674 93.03801   38.57674 ?          ?        92.98025 21.20659 ?        ?        ?         ?        
1 1 1 27 5  8  o 147.6222 13.64248 222.3835   40.27865 222.3835   40.27865 ?          ?        147.6222 13.64248 ?        ?        ?         ?        
1 1 1 27 5  9  o 74.67954 20.34311 60.70163   31.20177 60.70163   31.20177 ?          ?        74.67954 20.34311 ?        ?        ?         ?        
1 1 1 27 5  10 o 146.7276 11.01919 219.5470   32.33638 219.5470   32.33638 ?          ?        146.7276 11.01919 ?        ?        ?         ?        
1 1 1 27 5  11 o 78.30315 19.00256 68.07660   29.49986 68.07660   29.49986 ?          ?        78.30315 19.00256 ?        ?        ?         ?        
1 1 1 27 5  12 o 41.09790 18.02719 -2.269220  28.36525 -2.269220  28.36525 ?          ?        41.09790 18.02719 ?        ?        ?         ?        
1 1 1 27 5  13 o 31.93584 14.98431 -21.55759  24.39412 -21.55759  24.39412 ?          ?        31.93584 14.98431 ?        ?        ?         ?        
1 1 1 27 5  14 o 78.75090 17.71839 70.91312   27.23064 70.91312   27.23064 ?          ?        78.75090 17.71839 ?        ?        ?         ?        
1 1 1 27 6  1  f 44.43866 22.06155 -175.8645  74.88425 -175.8645  74.88425 ?          ?        44.43866 22.06155 ?        ?        ?         ?        
1 1 1 27 6  2  o 219.6501 27.76474 499.7957   121.9706 499.7957   121.9706 ?          ?        219.6501 27.76474 ?        ?        ?         ?        
1 1 1 27 6  3  o 118.5179 22.59081 148.0666   51.62476 148.0666   51.62476 ?          ?        118.5179 22.59081 ?        ?        ?         ?        
1 1 1 27 6  4  o 161.9138 18.04429 266.6333   58.43241 266.6333   58.43241 ?          ?        161.9138 18.04429 ?        ?        ?         ?        
1 1 1 27 6  5  o 200.2056 17.42671 407.8922   69.77851 407.8922   69.77851 ?          ?        200.2056 17.42671 ?        ?        ?         ?        
1 1 1 27 6  6  o 217.1351 10.97326 475.4016   47.65361 475.4016   47.65361 ?          ?        217.1351 10.97326 ?        ?        ?         ?        
1 1 1 27 6  7  o 105.6219 19.53416 118.5667   39.71135 118.5667   39.71135 ?          ?        105.6219 19.53416 ?        ?        ?         ?        
1 1 1 27 6  8  o 127.4093 14.47101 166.2204   36.87482 166.2204   36.87482 ?          ?        127.4093 14.47101 ?        ?        ?         ?        
1 1 1 27 6  9  o 66.70045 23.20556 44.24979   38.00943 44.24979   38.00943 ?          ?        66.70045 23.20556 ?        ?        ?         ?        
1 1 1 27 6  10 o 140.3755 12.32608 201.9606   34.60560 201.9606   34.60560 ?          ?        140.3755 12.32608 ?        ?        ?         ?        
1 1 1 27 6  11 o 67.63427 20.70732 50.49014   30.63447 50.49014   30.63447 ?          ?        67.63427 20.70732 ?        ?        ?         ?        
1 1 1 27 6  12 o 74.71031 17.71160 62.40355   26.09603 62.40355   26.09603 ?          ?        74.71031 17.71160 ?        ?        ?         ?        
1 1 1 27 6  13 o 36.26250 16.15858 -5.673049  23.82681 -5.673049  23.82681 ?          ?        36.26250 16.15858 ?        ?        ?         ?        
1 1 1 27 7  1  o 72.50118 30.89284 5.105744   78.85539 5.105744   78.85539 ?          ?        72.50118 30.89284 ?        ?        ?         ?        
1 1 1 27 7  2  o 233.4549 19.80483 554.8243   92.47070 554.8243   92.47070 ?          ?        233.4549 19.80483 ?        ?        ?         ?        
1 1 1 27 7  3  o 173.9501 16.79574 306.3447   58.43241 306.3447   58.43241 ?          ?        173.9501 16.79574 ?        ?        ?         ?        
1 1 1 27 7  4  o 268.4725 14.58028 728.9869   78.28809 728.9869   78.28809 ?          ?        268.4725 14.58028 ?        ?        ?         ?        
1 1 1 27 7  5  o 53.11987 22.82470 -1.134610  43.68248 -1.134610  43.68248 ?          ?        53.11987 22.82470 ?        ?        ?         ?        
1 1 1 27 7  6  o 171.8886 12.04655 298.4024   41.41326 298.4024   41.41326 ?          ?        171.8886 12.04655 ?        ?        ?         ?        
1 1 1 27 7  7  o 154.7918 14.29332 243.9411   44.24979 243.9411   44.24979 ?          ?        154.7918 14.29332 ?        ?        ?         ?        
1 1 1 27 7  8  o 123.7855 14.66550 157.1435   36.30752 157.1435   36.30752 ?          ?        123.7855 14.66550 ?        ?        ?         ?        
1 1 1 27 7  9  o 88.40524 17.62988 83.96114   30.06716 83.96114   30.06716 ?          ?        88.40524 17.62988 ?        ?        ?         ?        
1 1 1 27 7  10 o 129.9318 13.09852 173.5953   34.03830 173.5953   34.03830 ?          ?        129.9318 13.09852 ?        ?        ?         ?        
1 1 1 27 7  11 o 62.73455 20.86635 41.98057   30.63447 41.98057   30.63447 ?          ?        62.73455 20.86635 ?        ?        ?         ?        
1 1 1 27 7  12 o 55.97115 19.43939 32.33638   26.66333 32.33638   26.66333 ?          ?        55.97115 19.43939 ?        ?        ?         ?        
1 1 1 27 7  13 o 55.43851 19.60660 32.33638   27.23064 32.33638   27.23064 ?          ?        55.43851 19.60660 ?        ?        ?         ?        
1 1 1 27 8  0  o 159.9002 25.80224 274.5756   77.15348 274.5756   77.15348 274.5756   77.15348 159.9002 25.80224 159.9002 25.80224 -0.000000 0.000000 
1 1 1 27 8  1  o 148.3481 24.66574 226.3547   73.18234 226.3547   73.18234 ?          ?        148.3481 24.66574 ?        ?        ?         ?        
1 1 1 27 8  2  o 65.76925 24.36802 35.17290   42.54787 35.17290   42.54787 ?          ?        65.76925 24.36802 ?        ?        ?         ?        
1 1 1 27 8  3  o 140.9327 19.32173 201.9606   54.46128 201.9606   54.46128 ?          ?        140.9327 19.32173 ?        ?        ?         ?        
1 1 1 27 8  4  o 302.8300 11.42740 923.5726   69.21120 923.5726   69.21120 ?          ?        302.8300 11.42740 ?        ?        ?         ?        
1 1 1 27 8  5  o 110.5732 24.73753 131.6148   53.32666 131.6148   53.32666 ?          ?        110.5732 24.73753 ?        ?        ?         ?        
1 1 1 27 8  6  o 144.9026 13.89852 212.7394   40.27865 212.7394   40.27865 ?          ?        144.9026 13.89852 ?        ?        ?         ?        
1 1 1 27 8  7  o 99.28125 20.12996 105.5187   38.57674 105.5187   38.57674 ?          ?        99.28125 20.12996 ?        ?        ?         ?        
1 1 1 27 8  8  o 80.36494 20.14012 70.34581   32.33638 70.34581   32.33638 ?          ?        80.36494 20.14012 ?        ?        ?         ?        
1 1 1 27 8  9  o 187.3819 10.29361 356.2675   38.57674 356.2675   38.57674 ?          ?        187.3819 10.29361 ?        ?        ?         ?        
1 1 1 27 8  10 o 65.39154 21.24926 45.38440   31.76908 45.38440   31.76908 ?          ?        65.39154 21.24926 ?        ?        ?         ?        
1 1 1 27 8  11 o 61.71672 20.86639 40.27865   30.63447 40.27865   30.63447 ?          ?        61.71672 20.86639 ?        ?        ?         ?        
1 1 1 27 8  12 o 67.72173 19.47749 51.62476   27.79794 51.62476   27.79794 ?          ?        67.72173 19.47749 ?        ?        ?         ?        
1 1 1 27 8  13 o 49.82108 19.08164 22.12490   26.66333 22.12490   26.66333 ?          ?        49.82108 19.08164 ?        ?        ?         ?        
1 1 1 27 9  0  o 198.4186 24.63906 416.9691   95.30723 416.9691   95.30723 416.9691   95.30723 198.4186 24.63906 198.4186 24.63906 -0.000000 0.000000 
1 1 1 27 9  1  o 89.82464 31.76646 75.45156   71.48043 75.45156   71.48043 ?          ?        89.82464 31.76646 ?        ?        ?         ?        
1 1 1 27 9  2  o 152.8400 29.25256 249.6142   86.23035 249.6142   86.23035 ?          ?        152.8400 29.25256 ?        ?        ?         ?        
1 1 1 27 9  3  f 93.41518 26.82244 92.47070   52.75936 92.47070   52.75936 ?          ?        93.41518 26.82244 ?        ?        ?         ?        
1 1 1 27 9  4  o 342.9877 11.99157 1185.667   82.25922 1185.667   82.25922 ?          ?        342.9877 11.99157 ?        ?        ?         ?        
1 1 1 27 9  5  o 159.2078 18.70732 259.2584   59.56702 259.2584   59.56702 ?          ?        159.2078 18.70732 ?        ?        ?         ?        
1 1 1 27 9  6  o 180.1079 12.59923 327.9023   45.38440 327.9023   45.38440 ?          ?        180.1079 12.59923 ?        ?        ?         ?        
1 1 1 27 9  7  o 73.56512 22.12176 57.29780   35.17290 57.29780   35.17290 ?          ?        73.56512 22.12176 ?        ?        ?         ?        
1 1 1 27 9  8  o 130.4251 11.74408 173.0280   30.63447 173.0280   30.63447 ?          ?        130.4251 11.74408 ?        ?        ?         ?        
1 1 1 27 9  9  o 171.3702 11.25538 298.9697   38.57674 298.9697   38.57674 ?          ?        171.3702 11.25538 ?        ?        ?         ?        
1 1 1 27 9  10 o 45.11845 19.24102 2.836525   30.63447 2.836525   30.63447 ?          ?        45.11845 19.24102 ?        ?        ?         ?        
1 1 1 27 9  11 o 85.55917 17.51196 80.55730   28.93255 80.55730   28.93255 ?          ?        85.55917 17.51196 ?        ?        ?         ?        
1 1 1 27 9  12 f 116.7462 11.41936 140.6916   26.66333 140.6916   26.66333 ?          ?        116.7462 11.41936 ?        ?        ?         ?        
1 1 1 27 9  13 o 33.82050 15.94245 -26.66333  28.36525 -26.66333  28.36525 ?          ?        33.82050 15.94245 ?        ?        ?         ?        
1 1 1 27 10 0  o 283.2907 27.51131 838.4767   153.1723 838.4767   153.1723 838.4767   153.1723 283.2907 27.51131 283.2907 27.51131 -0.000000 0.000000 
1 1 1 27 10 1  o 87.44218 28.81832 76.58617   58.43241 76.58617   58.43241 ?          ?        87.44218 28.81832 ?        ?        ?         ?        
1 1 1 27 10 2  o 139.2557 16.70273 196.2875   46.51900 196.2875   46.51900 ?          ?        139.2557 16.70273 ?        ?        ?         ?        
1 1 1 27 10 3  o 129.7717 14.64473 170.1915   38.00943 170.1915   38.00943 ?          ?        129.7717 14.64473 ?        ?        ?         ?        
1 1 1 27 10 4  o 123.3062 18.40313 154.8743   45.38440 154.8743   45.38440 ?          ?        123.3062 18.40313 ?        ?        ?         ?        
1 1 1 27 10 5  o 45.56329 20.62514 -20.42298  40.27865 -20.42298  40.27865 ?          ?        45.56329 20.62514 ?        ?        ?         ?        
1 1 1 27 10 6  o 158.7968 12.14657 254.7199   38.57674 254.7199   38.57674 ?          ?        158.7968 12.14657 ?        ?        ?         ?        
1 1 1 27 10 7  o 74.45174 22.91285 58.43241   37.44213 58.43241   37.44213 ?          ?        74.45174 22.91285 ?        ?        ?         ?        
1 1 1 27 10 8  o 149.3918 11.58216 226.9220   34.60560 226.9220   34.60560 ?          ?        149.3918 11.58216 ?        ?        ?         ?        
1 1 1 27 10 9  o 83.09501 20.56598 76.01886   34.03830 76.01886   34.03830 ?          ?        83.09501 20.56598 ?        ?        ?         ?        
1 1 1 27 10 10 o 77.44901 20.27344 66.37468   31.76908 66.37468   31.76908 ?          ?        77.44901 20.27344 ?        ?        ?         ?        
1 1 1 27 10 11 o 69.37597 19.32646 53.89397   27.79794 53.89397   27.79794 ?          ?        69.37597 19.32646 ?        ?        ?         ?        
1 1 1 27 10 12 o 85.10117 15.57917 78.85539   25.52872 78.85539   25.52872 ?          ?        85.10117 15.57917 ?        ?        ?         ?        
1 1 1 27 10 13 o 47.05816 19.40049 13.04801   29.49986 13.04801   29.49986 ?          ?        47.05816 19.40049 ?        ?        ?         ?        
1 1 1 27 11 0  o 49.08212 34.08048 -70.34581  108.9226 -70.34581  108.9226 -70.34581  108.9226 49.08212 34.08048 49.08212 34.08048 -0.000000 0.000000 
1 1 1 27 11 1  o 186.3011 12.48490 349.4599   46.51900 349.4599   46.51900 ?          ?        186.3011 12.48490 ?        ?        ?         ?        
1 1 1 27 11 2  o 133.3150 20.21302 180.9703   53.89397 180.9703   53.89397 ?          ?        133.3150 20.21302 ?        ?        ?         ?        
1 1 1 27 11 3  o 93.35566 20.60571 92.47070   37.44213 92.47070   37.44213 ?          ?        93.35566 20.60571 ?        ?        ?         ?        
1 1 1 27 11 4  o 153.9593 14.92333 239.9700   45.95170 239.9700   45.95170 ?          ?        153.9593 14.92333 ?        ?        ?         ?        
1 1 1 27 11 5  o 67.47216 23.69584 42.54787   39.71135 42.54787   39.71135 ?          ?        67.47216 23.69584 ?        ?        ?         ?        
1 1 1 27 11 6  o 69.30678 23.41557 47.08631   38.57674 47.08631   38.57674 ?          ?        69.30678 23.41557 ?        ?        ?         ?        
1 1 1 27 11 7  o 146.0115 14.76431 217.2778   43.11518 217.2778   43.11518 ?          ?        146.0115 14.76431 ?        ?        ?         ?        
1 1 1 27 11 8  o 198.8667 10.12705 400.5173   40.27865 400.5173   40.27865 ?          ?        198.8667 10.12705 ?        ?        ?         ?        
1 1 1 27 11 9  o 157.0499 10.65616 250.7488   33.47099 250.7488   33.47099 ?          ?        157.0499 10.65616 ?        ?        ?         ?        
1 1 1 27 11 10 o 79.77093 19.94538 70.34581   31.76908 70.34581   31.76908 ?          ?        79.77093 19.94538 ?        ?        ?         ?        
1 1 1 27 11 11 o 46.14780 19.34159 7.942269   30.06716 7.942269   30.06716 ?          ?        46.14780 19.34159 ?        ?        ?         ?        
1 1 1 27 11 12 o 53.69480 20.35076 26.09603   30.06716 26.09603   30.06716 ?          ?        53.69480 20.35076 ?        ?        ?         ?        
1 1 1 27 11 13 o 42.14901 18.06280 3.971134   27.23064 3.971134   27.23064 ?          ?        42.14901 18.06280 ?        ?        ?         ?        
1 1 1 27 12 0  o 25.34119 18.34635 -69.21120  43.68248 -69.21120  43.68248 -69.21120  43.68248 25.34119 18.34635 25.34119 18.34635 -0.000000 0.000000 
1 1 1 27 12 1  o 69.28679 25.08781 41.41326   44.81709 41.41326   44.81709 ?          ?        69.28679 25.08781 ?        ?        ?         ?        
1 1 1 27 12 2  o 80.93477 25.99957 66.37468   47.65361 66.37468   47.65361 ?          ?        80.93477 25.99957 ?        ?        ?         ?        
1 1 1 27 12 3  o 136.0434 14.59511 187.2106   39.71135 187.2106   39.71135 ?          ?        136.0434 14.59511 ?        ?        ?         ?        
1 1 1 27 12 4  o 275.9019 10.89777 766.4290   60.13433 766.4290   60.13433 ?          ?        275.9019 10.89777 ?        ?        ?         ?        
1 1 1 27 12 5  o 50.85234 20.76417 10.77879   33.47099 10.77879   33.47099 ?          ?        50.85234 20.76417 ?        ?        ?         ?        
1 1 1 27 12 6  o 132.4980 14.12932 178.1338   37.44213 178.1338   37.44213 ?          ?        132.4980 14.12932 ?        ?        ?         ?        
1 1 1 27 12 7  o 95.18845 18.84777 96.44185   34.60560 96.44185   34.60560 ?          ?        95.18845 18.84777 ?        ?        ?         ?        
1 1 1 27 12 8  o 80.79212 19.50335 70.91312   31.20177 70.91312   31.20177 ?          ?        80.79212 19.50335 ?        ?        ?         ?        
1 1 1 27 12 9  o 47.54243 19.34106 11.34610   28.93255 11.34610   28.93255 ?          ?        47.54243 19.34106 ?        ?        ?         ?        
1 1 1 27 12 10 o 65.06345 21.24928 44.81709   31.76908 44.81709   31.76908 ?          ?        65.06345 21.24928 ?        ?        ?         ?        
1 1 1 27 12 11 o 80.90452 18.00080 72.61504   28.36525 72.61504   28.36525 ?          ?        80.90452 18.00080 ?        ?        ?         ?        
1 1 1 27 12 12 o 53.16650 20.01521 26.09603   28.93255 26.09603   28.93255 ?          ?        53.16650 20.01521 ?        ?        ?         ?        
1 1 1 27 12 13 o 29.43915 14.30544 -41.41326  26.66333 -41.41326  26.66333 ?          ?        29.43915 14.30544 ?        ?        ?         ?        
1 1 1 27 13 0  o 291.7479 18.92761 868.5439   109.4899 868.5439   109.4899 868.5439   109.4899 291.7479 18.92761 291.7479 18.92761 -0.000000 0.000000 
1 1 1 27 13 1  o 60.67965 23.15509 26.66333   39.14404 26.66333   39.14404 ?          ?        60.67965 23.15509 ?        ?        ?         ?        
1 1 1 27 13 2  o 48.94444 21.90914 -18.15376  44.24979 -18.15376  44.24979 ?          ?        48.94444 21.90914 ?        ?        ?         ?        
1 1 1 27 13 3  o 148.2004 15.12043 222.3835   44.81709 222.3835   44.81709 ?          ?        148.2004 15.12043 ?        ?        ?         ?        
1 1 1 27 13 4  o 196.2035 12.43307 388.6039   48.78823 388.6039   48.78823 ?          ?        196.2035 12.43307 ?        ?        ?         ?        
1 1 1 27 13 5  o 147.7834 12.28403 220.6816   36.30752 220.6816   36.30752 ?          ?        147.7834 12.28403 ?        ?        ?         ?        
1 1 1 27 13 6  o 113.4031 18.75956 132.1821   42.54787 132.1821   42.54787 ?          ?        113.4031 18.75956 ?        ?        ?         ?        
1 1 1 27 13 7  o 148.9373 12.76021 225.2201   38.00943 225.2201   38.00943 ?          ?        148.9373 12.76021 ?        ?        ?         ?        
1 1 1 27 13 8  o 79.85316 19.35570 69.21120   30.63447 69.21120   30.63447 ?          ?        79.85316 19.35570 ?        ?        ?         ?        
1 1 1 27 13 9  o 72.46005 21.30520 57.29780   32.90369 57.29780   32.90369 ?          ?        72.46005 21.30520 ?        ?        ?         ?        
1 1 1 27 13 10 o 78.46663 19.85575 68.07660   31.20177 68.07660   31.20177 ?          ?        78.46663 19.85575 ?        ?        ?         ?        
1 1 1 27 13 11 o 81.51509 17.23421 73.18234   27.23064 73.18234   27.23064 ?          ?        81.51509 17.23421 ?        ?        ?         ?        
1 1 1 27 13 12 o 133.5087 12.11022 185.5087   32.33638 185.5087   32.33638 ?          ?        133.5087 12.11022 ?        ?        ?         ?        
1 1 1 27 13 13 o 42.67765 18.06543 6.240355   26.66333 6.240355   26.66333 ?          ?        42.67765 18.06543 ?        ?        ?         ?        
1 1 1 27 14 0  o 75.61015 40.17971 86.79766   81.12460 86.79766   81.12460 86.79766   81.12460 75.61015 40.17971 75.61015 40.17971 -0.000000 0.000000 
1 1 1 27 14 1  o 250.9964 10.05794 633.1123   50.49014 633.1123   50.49014 ?          ?        250.9964 10.05794 ?        ?        ?         ?        
1 1 1 27 14 2  o 138.4786 16.59163 194.5856   45.95170 194.5856   45.95170 ?          ?        138.4786 16.59163 ?        ?        ?         ?        
1 1 1 27 14 3  o 105.9293 22.87529 119.7014   47.08631 119.7014   47.08631 ?          ?        105.9293 22.87529 ?        ?        ?         ?        
1 1 1 27 14 4  o 276.6695 10.45744 770.9675   57.86510 770.9675   57.86510 ?          ?        276.6695 10.45744 ?        ?        ?         ?        
1 1 1 27 14 5  o 305.5313 10.95501 941.1589   66.94199 941.1589   66.94199 ?          ?        305.5313 10.95501 ?        ?        ?         ?        
1 1 1 27 14 6  o 48.01046 21.11742 -7.942269  39.14404 -7.942269  39.14404 ?          ?        48.01046 21.11742 ?        ?        ?         ?        
1 1 1 27 14 7  o 70.54362 26.58241 42.54787   51.05745 42.54787   51.05745 ?          ?        70.54362 26.58241 ?        ?        ?         ?        
1 1 1 27 14 8  o 115.7463 14.21371 137.2878   32.90369 137.2878   32.90369 ?          ?        115.7463 14.21371 ?        ?        ?         ?        
1 1 1 27 14 9  o 130.4979 13.91115 175.2972   36.30752 175.2972   36.30752 ?          ?        130.4979 13.91115 ?        ?        ?         ?        
1 1 1 27 14 10 f 35.83957 16.73431 -24.96142  29.49986 -24.96142  29.49986 ?          ?        35.83957 16.73431 ?        ?        ?         ?        
1 1 1 27 14 11 o 56.63573 20.01283 32.33638   28.36525 32.33638   28.36525 ?          ?        56.63573 20.01283 ?        ?        ?         ?        
1 1 1 27 14 12 o 82.83738 17.96842 77.15348   28.93255 77.15348   28.93255 ?          ?        82.83738 17.96842 ?        ?        ?         ?        
1 1 1 27 14 13 o 59.70701 20.07868 39.71135   28.36525 39.71135   28.36525 ?          ?        59.70701 20.07868 ?        ?        ?         ?        
1 1 1 27 15 0  f 57.90636 32.21554 48.22092   54.46128 48.22092   54.46128 48.22092   54.46128 57.90636 32.21554 57.90636 32.21554 -0.000000 0.000000 
1 1 1 27 15 1  o 84.67175 19.76979 76.01886   32.90369 76.01886   32.90369 ?          ?        84.67175 19.76979 ?        ?        ?         ?        
1 1 1 27 15 2  o 119.2701 17.59895 144.6628   41.98057 144.6628   41.98057 ?          ?        119.2701 17.59895 ?        ?        ?         ?        
1 1 1 27 15 3  o 280.9911 12.41650 796.4961   69.77851 796.4961   69.77851 ?          ?        280.9911 12.41650 ?        ?        ?         ?        
1 1 1 27 15 4  o 107.6382 16.33849 117.9994   35.17290 117.9994   35.17290 ?          ?        107.6382 16.33849 ?        ?        ?         ?        
1 1 1 27 15 5  o 200.3892 10.33321 404.4884   41.41326 404.4884   41.41326 ?          ?        200.3892 10.33321 ?        ?        ?         ?        
1 1 1 27 15 6  o 74.43076 22.91416 58.43241   37.44213 58.43241   37.44213 ?          ?        74.43076 22.91416 ?        ?        ?         ?        
1 1 1 27 15 7  o 57.33772 23.41140 16.45185   42.54787 16.45185   42.54787 ?          ?        57.33772 23.41140 ?        ?        ?         ?        
1 1 1 27 15 8  o 82.16140 19.00597 73.18234   30.63447 73.18234   30.63447 ?          ?        82.16140 19.00597 ?        ?        ?         ?        
1 1 1 27 15 9  o 110.3744 13.62054 125.3744   30.06716 125.3744   30.06716 ?          ?        110.3744 13.62054 ?        ?        ?         ?        
1 1 1 27 15 10 o 53.16566 19.52547 25.52872   27.23064 25.52872   27.23064 ?          ?        53.16566 19.52547 ?        ?        ?         ?        
1 1 1 27 15 11 o 46.75333 19.55520 9.076880   30.63447 9.076880   30.63447 ?          ?        46.75333 19.55520 ?        ?        ?         ?        
1 1 1 27 15 12 o 32.71714 15.34693 -22.69220  25.52872 -22.69220  25.52872 ?          ?        32.71714 15.34693 ?        ?        ?         ?        
1 1 1 27 15 13 o 50.96929 19.49443 23.82681   27.79794 23.82681   27.79794 ?          ?        50.96929 19.49443 ?        ?        ?         ?        
1 1 1 27 16 0  o 109.2921 27.96799 142.3935   52.75936 142.3935   52.75936 142.3935   52.75936 109.2921 27.96799 109.2921 27.96799 -0.000000 0.000000 
1 1 1 27 16 1  o 61.29200 22.38292 31.76908   35.74022 31.76908   35.74022 ?          ?        61.29200 22.38292 ?        ?        ?         ?        
1 1 1 27 16 2  o 108.2708 14.40913 118.5667   31.20177 118.5667   31.20177 ?          ?        108.2708 14.40913 ?        ?        ?         ?        
1 1 1 27 16 3  o 143.0766 15.26542 207.6336   43.68248 207.6336   43.68248 ?          ?        143.0766 15.26542 ?        ?        ?         ?        
1 1 1 27 16 4  o 91.86760 19.15426 89.63419   34.03830 89.63419   34.03830 ?          ?        91.86760 19.15426 ?        ?        ?         ?        
1 1 1 27 16 5  o 219.4403 10.98725 485.6130   48.22092 485.6130   48.22092 ?          ?        219.4403 10.98725 ?        ?        ?         ?        
1 1 1 27 16 6  o 89.71281 22.72793 87.36497   40.84595 87.36497   40.84595 ?          ?        89.71281 22.72793 ?        ?        ?         ?        
1 1 1 27 16 7  o 153.3772 12.76071 239.9700   39.14404 239.9700   39.14404 ?          ?        153.3772 12.76071 ?        ?        ?         ?        
1 1 1 27 16 8  o 168.2932 11.46117 288.1909   38.57674 288.1909   38.57674 ?          ?        168.2932 11.46117 ?        ?        ?         ?        
1 1 1 27 16 9  o 35.15795 16.76012 -38.00943  32.33638 -38.00943  32.33638 ?          ?        35.15795 16.76012 ?        ?        ?         ?        
1 1 1 27 16 10 o 36.65803 16.83760 -18.15376  28.36525 -18.15376  28.36525 ?          ?        36.65803 16.83760 ?        ?        ?         ?        
1 1 1 27 16 11 o 72.80235 20.29103 60.70163   30.63447 60.70163   30.63447 ?          ?        72.80235 20.29103 ?        ?        ?         ?        
1 1 1 27 16 12 o 77.75433 17.87405 68.07660   27.23064 68.07660   27.23064 ?          ?        77.75433 17.87405 ?        ?        ?         ?        
1 1 1 27 16 13 o 73.00178 20.27289 62.97085   30.63447 62.97085   30.63447 ?          ?        73.00178 20.27289 ?        ?        ?         ?        
1 1 1 27 17 0  o 121.5708 23.79641 165.0858   51.62476 165.0858   51.62476 165.0858   51.62476 121.5708 23.79641 121.5708 23.79641 -0.000000 0.000000 
1 1 1 27 17 1  o 178.2670 11.13817 319.9600   39.71135 319.9600   39.71135 ?          ?        178.2670 11.13817 ?        ?        ?         ?        
1 1 1 27 17 2  o 89.00540 17.83856 83.39383   30.63447 83.39383   30.63447 ?          ?        89.00540 17.83856 ?        ?        ?         ?        
1 1 1 27 17 3  o 214.7543 9.642012 464.0555   41.41326 464.0555   41.41326 ?          ?        214.7543 9.642012 ?        ?        ?         ?        
1 1 1 27 17 4  o 146.7907 11.01445 217.2778   32.33638 217.2778   32.33638 ?          ?        146.7907 11.01445 ?        ?        ?         ?        
1 1 1 27 17 5  o 182.0054 10.75354 334.1426   39.14404 334.1426   39.14404 ?          ?        182.0054 10.75354 ?        ?        ?         ?        
1 1 1 27 17 6  o 86.28143 22.22447 80.55730   38.57674 80.55730   38.57674 ?          ?        86.28143 22.22447 ?        ?        ?         ?        
1 1 1 27 17 7  o 119.3392 15.92496 146.9320   38.00943 146.9320   38.00943 ?          ?        119.3392 15.92496 ?        ?        ?         ?        
1 1 1 27 17 8  o 62.11202 23.02801 34.60560   38.00943 34.60560   38.00943 ?          ?        62.11202 23.02801 ?        ?        ?         ?        
1 1 1 27 17 9  o 105.6257 15.03852 115.7302   31.76908 115.7302   31.76908 ?          ?        105.6257 15.03852 ?        ?        ?         ?        
1 1 1 27 17 10 o 58.08713 20.24246 34.03830   28.93255 34.03830   28.93255 ?          ?        58.08713 20.24246 ?        ?        ?         ?        
1 1 1 27 17 11 o 35.56611 16.75220 -29.49986  31.20177 -29.49986  31.20177 ?          ?        35.56611 16.75220 ?        ?        ?         ?        
1 1 1 27 17 12 o 43.32768 18.78098 1.701915   30.06716 1.701915   30.06716 ?          ?        43.32768 18.78098 ?        ?        ?         ?        
1 1 1 27 17 13 o 55.47160 19.23478 33.47099   26.09603 33.47099   26.09603 ?          ?        55.47160 19.23478 ?        ?        ?         ?        
1 1 1 27 18 0  o 233.1711 13.59956 551.9877   62.97085 551.9877   62.97085 551.9877   62.97085 233.1711 13.59956 233.1711 13.59956 -0.000000 0.000000 
1 1 1 27 18 1  f 154.2777 10.11221 239.4027   31.20177 239.4027   31.20177 ?          ?        154.2777 10.11221 ?        ?        ?         ?        
1 1 1 27 18 2  o 234.2060 9.204542 551.4204   43.11518 551.4204   43.11518 ?          ?        234.2060 9.204542 ?        ?        ?         ?        
1 1 1 27 18 3  o 258.3674 9.441638 671.6891   48.78823 671.6891   48.78823 ?          ?        258.3674 9.441638 ?        ?        ?         ?        
1 1 1 27 18 4  o 202.5820 10.64141 413.5653   43.11518 413.5653   43.11518 ?          ?        202.5820 10.64141 ?        ?        ?         ?        
1 1 1 27 18 5  o 80.64904 19.81231 69.77851   31.76908 69.77851   31.76908 ?          ?        80.64904 19.81231 ?        ?        ?         ?        
1 1 1 27 18 6  o 147.2339 12.90784 220.1143   38.00943 220.1143   38.00943 ?          ?        147.2339 12.90784 ?        ?        ?         ?        
1 1 1 27 18 7  o 81.56918 20.51974 72.61504   33.47099 72.61504   33.47099 ?          ?        81.56918 20.51974 ?        ?        ?         ?        
1 1 1 27 18 8  o 47.59912 20.55214 0.000000   35.74022 0.000000   35.74022 ?          ?        47.59912 20.55214 ?        ?        ?         ?        
1 1 1 27 18 9  o 70.92012 21.63098 55.02858   33.47099 55.02858   33.47099 ?          ?        70.92012 21.63098 ?        ?        ?         ?        
1 1 1 27 18 10 o 102.9325 14.32971 110.6245   29.49986 110.6245   29.49986 ?          ?        102.9325 14.32971 ?        ?        ?         ?        
1 1 1 27 18 11 o 113.6174 13.48141 135.0186   30.63447 135.0186   30.63447 ?          ?        113.6174 13.48141 ?        ?        ?         ?        
1 1 1 27 18 12 o 32.74701 15.50542 -27.79794  27.23064 -27.79794  27.23064 ?          ?        32.74701 15.50542 ?        ?        ?         ?        
1 1 1 27 18 13 o 72.01498 19.29807 60.70163   28.36525 60.70163   28.36525 ?          ?        72.01498 19.29807 ?        ?        ?         ?        
1 1 1 27 19 0  o 131.3423 20.30836 183.2395   50.49014 183.2395   50.49014 183.2395   50.49014 131.3423 20.30836 131.3423 20.30836 -0.000000 0.000000 
1 1 1 27 19 1  o 163.3554 11.11304 268.9026   36.30752 268.9026   36.30752 ?          ?        163.3554 11.11304 ?        ?        ?         ?        
1 1 1 27 19 2  o 91.33904 17.71232 87.93227   31.20177 87.93227   31.20177 ?          ?        91.33904 17.71232 ?        ?        ?         ?        
1 1 1 27 19 3  o 140.1911 10.31897 197.9895   28.93255 197.9895   28.93255 ?          ?        140.1911 10.31897 ?        ?        ?         ?        
1 1 1 27 19 4  o 74.98477 21.31083 59.56702   33.47099 59.56702   33.47099 ?          ?        74.98477 21.31083 ?        ?        ?         ?        
1 1 1 27 19 5  o 189.1654 9.596766 360.8060   36.30752 360.8060   36.30752 ?          ?        189.1654 9.596766 ?        ?        ?         ?        
1 1 1 27 19 6  o 124.7884 15.00225 159.4127   37.44213 159.4127   37.44213 ?          ?        124.7884 15.00225 ?        ?        ?         ?        
1 1 1 27 19 7  o 180.0569 12.28772 330.1715   44.24979 330.1715   44.24979 ?          ?        180.0569 12.28772 ?        ?        ?         ?        
1 1 1 27 19 8  o 88.01048 19.22363 84.52843   32.90369 84.52843   32.90369 ?          ?        88.01048 19.22363 ?        ?        ?         ?        
1 1 1 27 19 9  o 118.5020 14.36191 145.2301   34.03830 145.2301   34.03830 ?          ?        118.5020 14.36191 ?        ?        ?         ?        
1 1 1 27 19 10 o 81.83813 17.18375 73.74965   27.23064 73.74965   27.23064 ?          ?        81.83813 17.18375 ?        ?        ?         ?        
1 1 1 27 19 11 o 71.43872 19.91197 57.86510   29.49986 57.86510   29.49986 ?          ?        71.43872 19.91197 ?        ?        ?         ?        
1 1 1 27 19 12 o 62.39550 19.83876 44.24979   27.79794 44.24979   27.79794 ?          ?        62.39550 19.83876 ?        ?        ?         ?        
1 1 1 27 19 13 o 85.29681 18.16565 83.39383   30.06716 83.39383   30.06716 ?          ?        85.29681 18.16565 ?        ?        ?         ?        
1 1 1 27 20 0  o 191.8306 13.44108 375.5559   51.05745 375.5559   51.05745 375.5559   51.05745 191.8306 13.44108 191.8306 13.44108 -0.000000 0.000000 
1 1 1 27 20 1  o 292.8886 9.781501 863.4382   57.29780 863.4382   57.29780 ?          ?        292.8886 9.781501 ?        ?        ?         ?        
1 1 1 27 20 2  o 66.06435 21.62540 43.68248   32.90369 43.68248   32.90369 ?          ?        66.06435 21.62540 ?        ?        ?         ?        
1 1 1 27 20 3  o 39.72481 18.08891 -19.28837  31.76908 -19.28837  31.76908 ?          ?        39.72481 18.08891 ?        ?        ?         ?        
1 1 1 27 20 4  o 52.37619 20.64517 17.01915   31.76908 17.01915   31.76908 ?          ?        52.37619 20.64517 ?        ?        ?         ?        
1 1 1 27 20 5  o 249.7211 9.995719 629.1412   49.92284 629.1412   49.92284 ?          ?        249.7211 9.995719 ?        ?        ?         ?        
1 1 1 27 20 6  o 167.8452 11.15377 285.9217   37.44213 285.9217   37.44213 ?          ?        167.8452 11.15377 ?        ?        ?         ?        
1 1 1 27 20 7  o 107.3358 17.70584 119.7014   38.00943 119.7014   38.00943 ?          ?        107.3358 17.70584 ?        ?        ?         ?        
1 1 1 27 20 8  o 49.49923 21.19553 2.836525   37.44213 2.836525   37.44213 ?          ?        49.49923 21.19553 ?        ?        ?         ?        
1 1 1 27 20 9  o 60.92729 21.38400 36.87482   32.33638 36.87482   32.33638 ?          ?        60.92729 21.38400 ?        ?        ?         ?        
1 1 1 27 20 10 o 68.01089 21.14135 51.62476   31.76908 51.62476   31.76908 ?          ?        68.01089 21.14135 ?        ?        ?         ?        
1 1 1 27 20 11 o 144.0525 11.81455 215.0086   34.03830 215.0086   34.03830 ?          ?        144.0525 11.81455 ?        ?        ?         ?        
1 1 1 27 20 12 o 32.45898 15.52658 -32.90369  28.36525 -32.90369  28.36525 ?          ?        32.45898 15.52658 ?        ?        ?         ?        
1 1 1 27 21 0  o 121.6898 19.37100 158.2781   44.24979 158.2781   44.24979 158.2781   44.24979 121.6898 19.37100 121.6898 19.37100 -0.000000 0.000000 
1 1 1 27 21 1  o 308.9025 10.10085 961.0146   62.40355 961.0146   62.40355 ?          ?        308.9025 10.10085 ?        ?        ?         ?        
1 1 1 27 21 2  o 71.20419 20.68660 53.32666   31.20177 53.32666   31.20177 ?          ?        71.20419 20.68660 ?        ?        ?         ?        
1 1 1 27 21 3  o 122.8010 13.16618 152.6050   32.33638 152.6050   32.33638 ?          ?        122.8010 13.16618 ?        ?        ?         ?        
1 1 1 27 21 4  o 96.22241 18.34601 98.14376   34.03830 98.14376   34.03830 ?          ?        96.22241 18.34601 ?        ?        ?         ?        
1 1 1 27 21 5  o 130.8228 14.09342 174.1626   36.87482 174.1626   36.87482 ?          ?        130.8228 14.09342 ?        ?        ?         ?        
1 1 1 27 21 6  o 53.85181 20.92411 20.99029   32.33638 20.99029   32.33638 ?          ?        53.85181 20.92411 ?        ?        ?         ?        
1 1 1 27 21 7  o 143.9371 11.82402 211.0374   34.03830 211.0374   34.03830 ?          ?        143.9371 11.82402 ?        ?        ?         ?        
1 1 1 27 21 8  o 28.41205 14.12366 -74.31695  31.20177 -74.31695  31.20177 ?          ?        28.41205 14.12366 ?        ?        ?         ?        
1 1 1 27 21 9  o 123.3309 12.18963 156.0089   30.06716 156.0089   30.06716 ?          ?        123.3309 12.18963 ?        ?        ?         ?        
1 1 1 27 21 10 o 40.58287 18.27319 -10.77879  31.20177 -10.77879  31.20177 ?          ?        40.58287 18.27319 ?        ?        ?         ?        
1 1 1 27 21 11 o 61.51661 19.86709 41.98057   27.79794 41.98057   27.79794 ?          ?        61.51661 19.86709 ?        ?        ?         ?        
1 1 1 27 21 12 o 41.64996 18.68430 -7.374964  32.33638 -7.374964  32.33638 ?          ?        41.64996 18.68430 ?        ?        ?         ?        
1 1 1 27 22 0  f 52.09683 28.13185 40.27865   40.27865 40.27865   40.27865 40.27865   40.27865 52.09683 28.13185 52.09683 28.13185 -0.000000 0.000000 
1 1 1 27 22 1  o 117.8000 14.20670 140.6916   33.47099 140.6916   33.47099 ?          ?        117.8000 14.20670 ?        ?        ?         ?        
1 1 1 27 22 2  o 80.19695 20.16558 68.64390   32.33638 68.64390   32.33638 ?          ?        80.19695 20.16558 ?        ?        ?         ?        
1 1 1 27 22 3  o 191.9386 9.753675 371.0175   37.44213 371.0175   37.44213 ?          ?        191.9386 9.753675 ?        ?        ?         ?        
1 1 1 27 22 4  o 118.8136 13.60803 143.5282   32.33638 143.5282   32.33638 ?          ?        118.8136 13.60803 ?        ?        ?         ?        
1 1 1 27 22 5  o 202.0526 9.405825 411.8634   38.00943 411.8634   38.00943 ?          ?        202.0526 9.405825 ?        ?        ?         ?        
1 1 1 27 22 6  o 44.26387 18.97506 0.5673050  30.06716 0.5673050  30.06716 ?          ?        44.26387 18.97506 ?        ?        ?         ?        
1 1 1 27 22 7  o 51.52194 20.28433 18.15376   30.63447 18.15376   30.63447 ?          ?        51.52194 20.28433 ?        ?        ?         ?        
1 1 1 27 22 8  o 38.99829 17.75938 -16.45185  30.63447 -16.45185  30.63447 ?          ?        38.99829 17.75938 ?        ?        ?         ?        
1 1 1 27 22 9  o 167.3323 13.90019 289.8928   46.51900 289.8928   46.51900 ?          ?        167.3323 13.90019 ?        ?        ?         ?        
1 1 1 27 22 10 o 115.0429 14.30062 138.9897   32.90369 138.9897   32.90369 ?          ?        115.0429 14.30062 ?        ?        ?         ?        
1 1 1 27 22 11 o 49.11773 19.70987 17.01915   29.49986 17.01915   29.49986 ?          ?        49.11773 19.70987 ?        ?        ?         ?        
1 1 1 27 22 12 o 66.78237 20.05987 51.62476   28.93255 51.62476   28.93255 ?          ?        66.78237 20.05987 ?        ?        ?         ?        
1 1 1 27 23 0  o 38.90477 24.96713 5.673049   42.54787 5.673049   42.54787 5.673049   42.54787 38.90477 24.96713 38.90477 24.96713 -0.000000 0.000000 
1 1 1 27 23 1  o 190.6403 9.968887 365.9117   38.00943 365.9117   38.00943 ?          ?        190.6403 9.968887 ?        ?        ?         ?        
1 1 1 27 23 2  o 68.20664 19.95387 48.78823   28.93255 48.78823   28.93255 ?          ?        68.20664 19.95387 ?        ?        ?         ?        
1 1 1 27 23 3  o 57.74749 21.84856 26.09603   34.60560 26.09603   34.60560 ?          ?        57.74749 21.84856 ?        ?        ?         ?        
1 1 1 27 23 4  o 41.40503 18.26348 -7.374964  29.49986 -7.374964  29.49986 ?          ?        41.40503 18.26348 ?        ?        ?         ?        
1 1 1 27 23 5  o 186.0501 9.757459 350.0272   36.30752 350.0272   36.30752 ?          ?        186.0501 9.757459 ?        ?        ?         ?        
1 1 1 27 23 6  o 133.6311 12.73591 182.1049   34.03830 182.1049   34.03830 ?          ?        133.6311 12.73591 ?        ?        ?         ?        
1 1 1 27 23 7  o 76.72894 20.36069 64.67276   31.76908 64.67276   31.76908 ?          ?        76.72894 20.36069 ?        ?        ?         ?        
1 1 1 27 23 8  f 34.14073 16.95048 -99.84568  44.24979 -99.84568  44.24979 ?          ?        34.14073 16.95048 ?        ?        ?         ?        
1 1 1 27 23 9  o 70.12891 22.11829 54.46128   34.60560 54.46128   34.60560 ?          ?        70.12891 22.11829 ?        ?        ?         ?        
1 1 1 27 23 10 o 30.98174 15.26036 -61.83624  32.90369 -61.83624  32.90369 ?          ?        30.98174 15.26036 ?        ?        ?         ?        
1 1 1 27 23 11 o 86.19180 19.24953 84.52843   32.33638 84.52843   32.33638 ?          ?        86.19180 19.24953 ?        ?        ?         ?        
1 1 1 27 23 12 o 40.43179 17.60814 0.5673050  26.66333 0.5673050  26.66333 ?          ?        40.43179 17.60814 ?        ?        ?         ?        
1 1 1 27 24 0  o 130.1637 15.16775 177.5665   38.57674 177.5665   38.57674 177.5665   38.57674 130.1637 15.16775 130.1637 15.16775 -0.000000 0.000000 
1 1 1 27 24 1  o 206.0993 8.808261 427.1806   36.30752 427.1806   36.30752 ?          ?        206.0993 8.808261 ?        ?        ?         ?        
1 1 1 27 24 2  o 59.00361 21.14624 31.20177   31.76908 31.20177   31.76908 ?          ?        59.00361 21.14624 ?        ?        ?         ?        
1 1 1 27 24 3  o 67.05753 21.19706 46.51900   31.76908 46.51900   31.76908 ?          ?        67.05753 21.19706 ?        ?        ?         ?        
1 1 1 27 24 4  o 88.04568 17.37103 82.25922   29.49986 82.25922   29.49986 ?          ?        88.04568 17.37103 ?        ?        ?         ?        
1 1 1 27 24 5  o 295.3198 9.028632 881.0246   53.32666 881.0246   53.32666 ?          ?        295.3198 9.028632 ?        ?        ?         ?        
1 1 1 27 24 6  o 160.6476 11.83007 262.6622   38.00943 262.6622   38.00943 ?          ?        160.6476 11.83007 ?        ?        ?         ?        
1 1 1 27 24 7  o 77.94560 20.73823 66.94199   32.90369 66.94199   32.90369 ?          ?        77.94560 20.73823 ?        ?        ?         ?        
1 1 1 27 24 8  o 132.1040 12.02427 178.7011   31.76908 178.7011   31.76908 ?          ?        132.1040 12.02427 ?        ?        ?         ?        
1 1 1 27 24 9  o 138.8403 11.64517 198.5567   32.33638 198.5567   32.33638 ?          ?        138.8403 11.64517 ?        ?        ?         ?        
1 1 1 27 24 10 o 40.69922 18.30225 -9.644185  31.20177 -9.644185  31.20177 ?          ?        40.69922 18.30225 ?        ?        ?         ?        
1 1 1 27 24 11 o 117.6700 13.98134 146.3647   32.90369 146.3647   32.90369 ?          ?        117.6700 13.98134 ?        ?        ?         ?        
1 1 1 27 24 12 o 51.15598 20.23864 22.12490   30.63447 22.12490   30.63447 ?          ?        51.15598 20.23864 ?        ?        ?         ?        
1 1 1 27 25 0  o 41.33233 25.49606 15.88454   40.27865 15.88454   40.27865 15.88454   40.27865 41.33233 25.49606 41.33233 25.49606 -0.000000 0.000000 
1 1 1 27 25 1  o 267.9217 8.469714 722.1793   45.38440 722.1793   45.38440 ?          ?        267.9217 8.469714 ?        ?        ?         ?        
1 1 1 27 25 2  o 90.31438 18.22673 86.79766   31.76908 86.79766   31.76908 ?          ?        90.31438 18.22673 ?        ?        ?         ?        
1 1 1 27 25 3  o 172.0538 9.562037 298.4024   32.90369 298.4024   32.90369 ?          ?        172.0538 9.562037 ?        ?        ?         ?        
1 1 1 27 25 4  o 46.36168 19.27739 6.807660   29.49986 6.807660   29.49986 ?          ?        46.36168 19.27739 ?        ?        ?         ?        
1 1 1 27 25 5  o 220.8425 9.376201 492.9881   41.41326 492.9881   41.41326 ?          ?        220.8425 9.376201 ?        ?        ?         ?        
1 1 1 27 25 6  o 69.29014 22.71643 50.49014   36.30752 50.49014   36.30752 ?          ?        69.29014 22.71643 ?        ?        ?         ?        
1 1 1 27 25 7  o 76.40531 19.29016 64.10546   29.49986 64.10546   29.49986 ?          ?        76.40531 19.29016 ?        ?        ?         ?        
1 1 1 27 25 8  o 40.65892 17.55867 -0.5673050 26.09603 -0.5673050 26.09603 ?          ?        40.65892 17.55867 ?        ?        ?         ?        
1 1 1 27 25 9  o 33.53733 15.80113 -27.79794  27.79794 -27.79794  27.79794 ?          ?        33.53733 15.80113 ?        ?        ?         ?        
1 1 1 27 25 10 o 34.07328 16.20875 -32.90369  30.06716 -32.90369  30.06716 ?          ?        34.07328 16.20875 ?        ?        ?         ?        
1 1 1 27 25 11 o 80.41792 18.97753 74.31695   30.06716 74.31695   30.06716 ?          ?        80.41792 18.97753 ?        ?        ?         ?        
1 1 1 27 25 12 o 63.74356 21.24925 47.08631   31.76908 47.08631   31.76908 ?          ?        63.74356 21.24925 ?        ?        ?         ?        
1 1 1 27 26 0  o 56.42243 28.72657 48.78823   40.27865 48.78823   40.27865 48.78823   40.27865 56.42243 28.72657 56.42243 28.72657 -0.000000 0.000000 
1 1 1 27 26 1  o 50.54350 19.60575 17.58645   28.36525 17.58645   28.36525 ?          ?        50.54350 19.60575 ?        ?        ?         ?        
1 1 1 27 26 2  o 62.20455 18.87485 40.27865   25.52872 40.27865   25.52872 ?          ?        62.20455 18.87485 ?        ?        ?         ?        
1 1 1 27 26 3  o 39.43780 17.51905 -9.076880  27.79794 -9.076880  27.79794 ?          ?        39.43780 17.51905 ?        ?        ?         ?        
1 1 1 27 26 4  o 130.2250 10.45523 171.8934   27.23064 171.8934   27.23064 ?          ?        130.2250 10.45523 ?        ?        ?         ?        
1 1 1 27 26 5  o 122.7411 12.94150 153.7396   31.76908 153.7396   31.76908 ?          ?        122.7411 12.94150 ?        ?        ?         ?        
1 1 1 27 26 6  f 38.58282 17.31561 -10.77879  27.79794 -10.77879  27.79794 ?          ?        38.58282 17.31561 ?        ?        ?         ?        
1 1 1 27 26 7  o 73.18690 21.47825 58.99971   33.47099 58.99971   33.47099 ?          ?        73.18690 21.47825 ?        ?        ?         ?        
1 1 1 27 26 8  o 87.99691 21.44157 86.79766   37.44213 86.79766   37.44213 ?          ?        87.99691 21.44157 ?        ?        ?         ?        
1 1 1 27 26 9  o 156.1782 10.17078 249.6142   31.76908 249.6142   31.76908 ?          ?        156.1782 10.17078 ?        ?        ?         ?        
1 1 1 27 26 10 o 50.42311 20.58793 15.88454   32.90369 15.88454   32.90369 ?          ?        50.42311 20.58793 ?        ?        ?         ?        
1 1 1 27 26 11 o 51.63331 21.42265 16.45185   36.30752 16.45185   36.30752 ?          ?        51.63331 21.42265 ?        ?        ?         ?        
1 1 1 27 26 12 o 81.96629 19.32544 78.28809   31.20177 78.28809   31.20177 ?          ?        81.96629 19.32544 ?        ?        ?         ?        
1 1 1 27 27 0  o 95.19912 25.23705 109.4899   41.41326 109.4899   41.41326 109.4899   41.41326 95.19912 25.23705 95.19912 25.23705 -0.000000 0.000000 
1 1 1 27 27 1  o 108.3348 13.09148 119.1340   28.36525 119.1340   28.36525 ?          ?        108.3348 13.09148 ?        ?        ?         ?        
1 1 1 27 27 2  o 65.12189 18.91816 44.81709   26.09603 44.81709   26.09603 ?          ?        65.12189 18.91816 ?        ?        ?         ?        
1 1 1 27 27 3  o 140.1966 10.52089 199.1240   29.49986 199.1240   29.49986 ?          ?        140.1966 10.52089 ?        ?        ?         ?        
1 1 1 27 27 4  o 73.81852 18.77850 58.99971   27.79794 58.99971   27.79794 ?          ?        73.81852 18.77850 ?        ?        ?         ?        
1 1 1 27 27 5  o 139.4512 10.78053 197.4221   30.06716 197.4221   30.06716 ?          ?        139.4512 10.78053 ?        ?        ?         ?        
1 1 1 27 27 6  o 69.63862 18.44168 52.75936   26.09603 52.75936   26.09603 ?          ?        69.63862 18.44168 ?        ?        ?         ?        
1 1 1 27 27 7  o 100.5262 14.10839 104.3841   28.36525 104.3841   28.36525 ?          ?        100.5262 14.10839 ?        ?        ?         ?        
1 1 1 27 27 8  o 60.07007 22.17578 34.03830   35.17290 34.03830   35.17290 ?          ?        60.07007 22.17578 ?        ?        ?         ?        
1 1 1 27 27 9  f 63.42938 19.05088 44.81709   26.09603 44.81709   26.09603 ?          ?        63.42938 19.05088 ?        ?        ?         ?        
1 1 1 27 27 10 o 88.25847 20.33139 89.63419   35.17290 89.63419   35.17290 ?          ?        88.25847 20.33139 ?        ?        ?         ?        
1 1 1 27 27 11 o 53.99037 21.58131 23.82681   35.17290 23.82681   35.17290 ?          ?        53.99037 21.58131 ?        ?        ?         ?        
1 1 1 27 28 0  o 30.22491 20.85763 -23.25950  39.71135 -23.25950  39.71135 -23.25950  39.71135 30.22491 20.85763 30.22491 20.85763 -0.000000 0.000000 
1 1 1 27 28 1  o 28.90303 14.16860 -53.89397  27.79794 -53.89397  27.79794 ?          ?        28.90303 14.16860 ?        ?        ?         ?        
1 1 1 27 28 2  o 57.39977 20.39639 30.63447   29.49986 30.63447   29.49986 ?          ?        57.39977 20.39639 ?        ?        ?         ?        
1 1 1 27 28 3  o 134.6073 10.74702 183.8068   28.93255 183.8068   28.93255 ?          ?        134.6073 10.74702 ?        ?        ?         ?        
1 1 1 27 28 4  o 121.4806 12.37529 150.3358   30.06716 150.3358   30.06716 ?          ?        121.4806 12.37529 ?        ?        ?         ?        
1 1 1 27 28 5  o 42.55949 18.04292 2.836525   26.66333 2.836525   26.66333 ?          ?        42.55949 18.04292 ?        ?        ?         ?        
1 1 1 27 28 6  o 88.54070 16.30926 83.96114   27.79794 83.96114   27.79794 ?          ?        88.54070 16.30926 ?        ?        ?         ?        
1 1 1 27 28 7  o 117.4971 12.79486 141.8262   30.06716 141.8262   30.06716 ?          ?        117.4971 12.79486 ?        ?        ?         ?        
1 1 1 27 28 8  o 114.0744 11.43817 133.8840   26.09603 133.8840   26.09603 ?          ?        114.0744 11.43817 ?        ?        ?         ?        
1 1 1 27 28 9  o 45.64063 18.44513 13.04801   26.09603 13.04801   26.09603 ?          ?        45.64063 18.44513 ?        ?        ?         ?        
1 1 1 27 28 10 o 37.39262 17.30170 -19.85567  30.63447 -19.85567  30.63447 ?          ?        37.39262 17.30170 ?        ?        ?         ?        
1 1 1 27 28 11 o 84.75493 18.58014 82.25922   30.63447 82.25922   30.63447 ?          ?        84.75493 18.58014 ?        ?        ?         ?        
1 1 1 27 29 0  o 137.1262 14.78224 196.8548   39.71135 196.8548   39.71135 196.8548   39.71135 137.1262 14.78224 137.1262 14.78224 -0.000000 0.000000 
1 1 1 27 29 1  o 84.65308 17.01734 76.58617   27.79794 76.58617   27.79794 ?          ?        84.65308 17.01734 ?        ?        ?         ?        
1 1 1 27 29 2  f 140.9514 10.46455 201.3933   29.49986 201.3933   29.49986 ?          ?        140.9514 10.46455 ?        ?        ?         ?        
1 1 1 27 29 3  o 181.1337 9.709099 331.8734   35.17290 331.8734   35.17290 ?          ?        181.1337 9.709099 ?        ?        ?         ?        
1 1 1 27 29 4  o 57.01623 19.25880 32.33638   26.09603 32.33638   26.09603 ?          ?        57.01623 19.25880 ?        ?        ?         ?        
1 1 1 27 29 5  f 93.28386 14.29150 89.63419   26.66333 89.63419   26.66333 ?          ?        93.28386 14.29150 ?        ?        ?         ?        
1 1 1 27 29 6  o 158.4729 9.307538 254.7199   29.49986 254.7199   29.49986 ?          ?        158.4729 9.307538 ?        ?        ?         ?        
1 1 1 27 29 7  o 141.7327 9.806470 204.2298   27.79794 204.2298   27.79794 ?          ?        141.7327 9.806470 ?        ?        ?         ?        
1 1 1 27 29 8  o 62.29355 19.36893 42.54787   26.66333 42.54787   26.66333 ?          ?        62.29355 19.36893 ?        ?        ?         ?        
1 1 1 27 29 9  o 100.2803 13.29440 104.9514   26.66333 104.9514   26.66333 ?          ?        100.2803 13.29440 ?        ?        ?         ?        
1 1 1 27 29 10 o 40.47141 17.61648 0.000000   26.66333 0.000000   26.66333 ?          ?        40.47141 17.61648 ?        ?        ?         ?        
1 1 1 27 29 11 o 91.37264 13.96957 89.06688   25.52872 89.06688   25.52872 ?          ?        91.37264 13.96957 ?        ?        ?         ?        
1 1 1 27 30 0  o 33.28019 22.11185 -5.105744  37.44213 -5.105744  37.44213 -5.105744  37.44213 33.28019 22.11185 33.28019 22.11185 -0.000000 0.000000 
1 1 1 27 30 1  o 160.3500 9.198584 259.8257   29.49986 259.8257   29.49986 ?          ?        160.3500 9.198584 ?        ?        ?         ?        
1 1 1 27 30 2  o 41.82300 17.89673 0.5673050  26.66333 0.5673050  26.66333 ?          ?        41.82300 17.89673 ?        ?        ?         ?        
1 1 1 27 30 3  o 73.73518 19.64462 58.99971   29.49986 58.99971   29.49986 ?          ?        73.73518 19.64462 ?        ?        ?         ?        
1 1 1 27 30 4  o 126.6804 11.19559 163.3838   28.36525 163.3838   28.36525 ?          ?        126.6804 11.19559 ?        ?        ?         ?        
1 1 1 27 30 5  o 69.97936 18.10657 53.32666   25.52872 53.32666   25.52872 ?          ?        69.97936 18.10657 ?        ?        ?         ?        
1 1 1 27 30 6  o 96.88305 12.88224 96.44185   24.96142 96.44185   24.96142 ?          ?        96.88305 12.88224 ?        ?        ?         ?        
1 1 1 27 30 7  o 166.1435 9.560734 280.8159   31.76908 280.8159   31.76908 ?          ?        166.1435 9.560734 ?        ?        ?         ?        
1 1 1 27 30 8  o 33.52807 15.68768 -22.12490  26.09603 -22.12490  26.09603 ?          ?        33.52807 15.68768 ?        ?        ?         ?        
1 1 1 27 30 9  o 80.43610 15.01643 70.34581   23.25950 70.34581   23.25950 ?          ?        80.43610 15.01643 ?        ?        ?         ?        
1 1 1 27 30 10 o 61.67308 19.40771 43.11518   26.66333 43.11518   26.66333 ?          ?        61.67308 19.40771 ?        ?        ?         ?        
1 1 1 27 30 11 o 50.46666 19.59961 22.69220   28.36525 22.69220   28.36525 ?          ?        50.46666 19.59961 ?        ?        ?         ?        
1 1 1 27 31 0  o 64.44241 27.19558 60.70163   35.17290 60.70163   35.17290 60.70163   35.17290 64.44241 27.19558 64.44241 27.19558 -0.000000 0.000000 
1 1 1 27 31 1  o 95.36926 15.46613 93.60532   29.49986 93.60532   29.49986 ?          ?        95.36926 15.46613 ?        ?        ?         ?        
1 1 1 27 31 2  o 67.42679 19.50516 48.78823   27.79794 48.78823   27.79794 ?          ?        67.42679 19.50516 ?        ?        ?         ?        
1 1 1 27 31 3  o 161.7587 9.469187 264.9314   30.63447 264.9314   30.63447 ?          ?        161.7587 9.469187 ?        ?        ?         ?        
1 1 1 27 31 4  o 123.0208 11.52864 154.3070   28.36525 154.3070   28.36525 ?          ?        123.0208 11.52864 ?        ?        ?         ?        
1 1 1 27 31 5  o 74.45943 18.37401 60.70163   27.23064 60.70163   27.23064 ?          ?        74.45943 18.37401 ?        ?        ?         ?        
1 1 1 27 31 6  o 183.6926 8.492929 341.5176   31.20177 341.5176   31.20177 ?          ?        183.6926 8.492929 ?        ?        ?         ?        
1 1 1 27 31 7  o 44.13475 18.33778 7.942269   26.66333 7.942269   26.66333 ?          ?        44.13475 18.33778 ?        ?        ?         ?        
1 1 1 27 31 8  o 88.09117 14.16795 81.69191   24.96142 81.69191   24.96142 ?          ?        88.09117 14.16795 ?        ?        ?         ?        
1 1 1 27 31 9  o 29.15971 14.11943 -38.57674  25.52872 -38.57674  25.52872 ?          ?        29.15971 14.11943 ?        ?        ?         ?        
1 1 1 27 31 10 o 75.75362 16.90850 64.67276   24.96142 64.67276   24.96142 ?          ?        75.75362 16.90850 ?        ?        ?         ?        
1 1 1 27 31 11 o 93.42908 17.02505 98.14376   30.63447 98.14376   30.63447 ?          ?        93.42908 17.02505 ?        ?        ?         ?        
1 1 1 27 32 0  o 63.81951 27.46967 60.13433   35.74022 60.13433   35.74022 60.13433   35.74022 63.81951 27.46967 63.81951 27.46967 -0.000000 0.000000 
1 1 1 27 32 1  o 180.6433 8.793319 329.6042   31.76908 329.6042   31.76908 ?          ?        180.6433 8.793319 ?        ?        ?         ?        
1 1 1 27 32 2  o 136.4191 10.39636 188.9126   28.36525 188.9126   28.36525 ?          ?        136.4191 10.39636 ?        ?        ?         ?        
1 1 1 27 32 3  o 91.44482 14.57892 86.23035   26.66333 86.23035   26.66333 ?          ?        91.44482 14.57892 ?        ?        ?         ?        
1 1 1 27 32 4  f 42.47291 18.02643 2.836525   26.66333 2.836525   26.66333 ?          ?        42.47291 18.02643 ?        ?        ?         ?        
1 1 1 27 32 5  o 120.8046 10.56612 148.6339   25.52872 148.6339   25.52872 ?          ?        120.8046 10.56612 ?        ?        ?         ?        
1 1 1 27 32 6  o 32.16393 15.28304 -30.63447  26.66333 -30.63447  26.66333 ?          ?        32.16393 15.28304 ?        ?        ?         ?        
1 1 1 27 32 7  o 40.92805 17.61533 1.134610   26.09603 1.134610   26.09603 ?          ?        40.92805 17.61533 ?        ?        ?         ?        
1 1 1 27 32 8  o 79.50526 16.59657 69.77851   25.52872 69.77851   25.52872 ?          ?        79.50526 16.59657 ?        ?        ?         ?        
1 1 1 27 32 9  o 159.6939 9.591619 261.5276   30.63447 261.5276   30.63447 ?          ?        159.6939 9.591619 ?        ?        ?         ?        
1 1 1 27 32 10 f 144.7977 9.402993 215.5759   27.23064 215.5759   27.23064 ?          ?        144.7977 9.402993 ?        ?        ?         ?        
1 1 1 27 33 0  o 119.1458 17.98221 151.4704   40.84595 151.4704   40.84595 151.4704   40.84595 119.1458 17.98221 119.1458 17.98221 -0.000000 0.000000 
1 1 1 27 33 1  o 169.0568 9.228193 289.3255   31.20177 289.3255   31.20177 ?          ?        169.0568 9.228193 ?        ?        ?         ?        
1 1 1 27 33 2  o 36.97378 16.75661 -13.04801  26.66333 -13.04801  26.66333 ?          ?        36.97378 16.75661 ?        ?        ?         ?        
1 1 1 27 33 3  o 57.65084 19.86539 32.90369   27.79794 32.90369   27.79794 ?          ?        57.65084 19.86539 ?        ?        ?         ?        
1 1 1 27 33 4  o 89.95240 16.37232 86.79766   28.36525 86.79766   28.36525 ?          ?        89.95240 16.37232 ?        ?        ?         ?        
1 1 1 27 33 5  o 99.50544 13.68299 102.1149   27.23064 102.1149   27.23064 ?          ?        99.50544 13.68299 ?        ?        ?         ?        
1 1 1 27 33 6  o 46.41920 18.57492 13.61532   26.09603 13.61532   26.09603 ?          ?        46.41920 18.57492 ?        ?        ?         ?        
1 1 1 27 33 7  o 43.20071 17.55945 10.21149   23.82681 10.21149   23.82681 ?          ?        43.20071 17.55945 ?        ?        ?         ?        
1 1 1 27 33 8  o 57.92623 19.46699 35.74022   26.66333 35.74022   26.66333 ?          ?        57.92623 19.46699 ?        ?        ?         ?        
1 1 1 27 33 9  o 125.5877 10.38956 162.8165   26.09603 162.8165   26.09603 ?          ?        125.5877 10.38956 ?        ?        ?         ?        
1 1 1 27 33 10 o 96.32259 15.01857 99.84568   28.93255 99.84568   28.93255 ?          ?        96.32259 15.01857 ?        ?        ?         ?        
1 1 1 27 34 0  o 84.00539 25.57656 90.20149   37.44213 90.20149   37.44213 90.20149   37.44213 84.00539 25.57656 84.00539 25.57656 -0.000000 0.000000 
1 1 1 27 34 1  o 58.53788 19.25879 35.17290   26.09603 35.17290   26.09603 ?          ?        58.53788 19.25879 ?        ?        ?         ?        
1 1 1 27 34 2  o 37.86724 16.80915 -7.374964  25.52872 -7.374964  25.52872 ?          ?        37.86724 16.80915 ?        ?        ?         ?        
1 1 1 27 34 3  o 129.9494 10.47740 171.8934   27.23064 171.8934   27.23064 ?          ?        129.9494 10.47740 ?        ?        ?         ?        
1 1 1 27 34 4  o 93.94991 14.49211 91.33610   27.23064 91.33610   27.23064 ?          ?        93.94991 14.49211 ?        ?        ?         ?        
1 1 1 27 34 5  o 54.86954 18.83253 30.06716   24.96142 30.06716   24.96142 ?          ?        54.86954 18.83253 ?        ?        ?         ?        
1 1 1 27 34 6  o 88.42147 16.33309 85.09574   27.79794 85.09574   27.79794 ?          ?        88.42147 16.33309 ?        ?        ?         ?        
1 1 1 27 34 7  o 41.71265 17.55927 5.673049   24.96142 5.673049   24.96142 ?          ?        41.71265 17.55927 ?        ?        ?         ?        
1 1 1 27 34 8  o 95.25446 14.29363 95.87454   27.23064 95.87454   27.23064 ?          ?        95.25446 14.29363 ?        ?        ?         ?        
1 1 1 27 34 9  o 85.76576 14.22136 78.28809   24.39412 78.28809   24.39412 ?          ?        85.76576 14.22136 ?        ?        ?         ?        
1 1 1 27 34 10 o 88.44312 14.43228 83.96114   25.52872 83.96114   25.52872 ?          ?        88.44312 14.43228 ?        ?        ?         ?        
1 1 1 27 35 0  o 60.58808 29.05946 57.29780   40.27865 57.29780   40.27865 57.29780   40.27865 60.58808 29.05946 60.58808 29.05946 -0.000000 0.000000 
1 1 1 27 35 1  o 185.9404 8.237714 349.4599   30.63447 349.4599   30.63447 ?          ?        185.9404 8.237714 ?        ?        ?         ?        
1 1 1 27 35 2  o 162.1512 9.271334 266.6333   30.06716 266.6333   30.06716 ?          ?        162.1512 9.271334 ?        ?        ?         ?        
1 1 1 27 35 3  o 52.92852 19.67927 24.39412   27.79794 24.39412   27.79794 ?          ?        52.92852 19.67927 ?        ?        ?         ?        
1 1 1 27 35 4  o 95.04179 14.62406 93.60532   27.79794 93.60532   27.79794 ?          ?        95.04179 14.62406 ?        ?        ?         ?        
1 1 1 27 35 5  o 190.0055 9.106475 367.0463   34.60560 367.0463   34.60560 ?          ?        190.0055 9.106475 ?        ?        ?         ?        
1 1 1 27 35 6  o 29.58644 14.31725 -39.71135  26.09603 -39.71135  26.09603 ?          ?        29.58644 14.31725 ?        ?        ?         ?        
1 1 1 27 35 7  o 49.61065 18.91338 20.99029   26.09603 20.99029   26.09603 ?          ?        49.61065 18.91338 ?        ?        ?         ?        
1 1 1 27 35 8  o 171.1601 8.617622 298.9697   29.49986 298.9697   29.49986 ?          ?        171.1601 8.617622 ?        ?        ?         ?        
1 1 1 27 35 9  o 136.5326 9.972209 192.3164   27.23064 192.3164   27.23064 ?          ?        136.5326 9.972209 ?        ?        ?         ?        
1 1 1 27 36 0  o 32.57297 21.49594 -2.269220  34.60560 -2.269220  34.60560 -2.269220  34.60560 32.57297 21.49594 32.57297 21.49594 -0.000000 0.000000 
1 1 1 27 36 1  o 234.3136 7.989747 554.8243   37.44213 554.8243   37.44213 ?          ?        234.3136 7.989747 ?        ?        ?         ?        
1 1 1 27 36 2  o 64.40461 19.23930 44.81709   26.66333 44.81709   26.66333 ?          ?        64.40461 19.23930 ?        ?        ?         ?        
1 1 1 27 36 3  f 126.9935 10.94464 164.5184   27.79794 164.5184   27.79794 ?          ?        126.9935 10.94464 ?        ?        ?         ?        
1 1 1 27 36 4  o 100.4778 13.55058 104.3841   27.23064 104.3841   27.23064 ?          ?        100.4778 13.55058 ?        ?        ?         ?        
1 1 1 27 36 5  o 79.79398 16.55147 69.77851   25.52872 69.77851   25.52872 ?          ?        79.79398 16.55147 ?        ?        ?         ?        
1 1 1 27 36 6  o 75.28271 17.93874 63.53815   26.66333 63.53815   26.66333 ?          ?        75.28271 17.93874 ?        ?        ?         ?        
1 1 1 27 36 7  o 26.18414 12.94164 -53.32666  24.96142 -53.32666  24.96142 ?          ?        26.18414 12.94164 ?        ?        ?         ?        
1 1 1 27 36 8  o 92.02402 14.79540 90.20149   27.23064 90.20149   27.23064 ?          ?        92.02402 14.79540 ?        ?        ?         ?        
1 1 1 27 36 9  o 160.1215 9.034564 263.2295   28.93255 263.2295   28.93255 ?          ?        160.1215 9.034564 ?        ?        ?         ?        
1 1 1 27 37 0  o 222.4253 11.67293 504.3341   51.62476 504.3341   51.62476 504.3341   51.62476 222.4253 11.67293 222.4253 11.67293 -0.000000 0.000000 
1 1 1 27 37 1  o 196.1298 8.388245 389.1712   32.90369 389.1712   32.90369 ?          ?        196.1298 8.388245 ?        ?        ?         ?        
1 1 1 27 37 2  o 97.82977 13.62741 98.71106   26.66333 98.71106   26.66333 ?          ?        97.82977 13.62741 ?        ?        ?         ?        
1 1 1 27 37 3  o 75.88092 17.53424 62.97085   26.09603 62.97085   26.09603 ?          ?        75.88092 17.53424 ?        ?        ?         ?        
1 1 1 27 37 4  o 126.6586 10.07777 163.9511   25.52872 163.9511   25.52872 ?          ?        126.6586 10.07777 ?        ?        ?         ?        
1 1 1 27 37 5  o 35.19640 16.02880 -13.04801  24.96142 -13.04801  24.96142 ?          ?        35.19640 16.02880 ?        ?        ?         ?        
1 1 1 27 37 6  f 72.75212 18.32219 59.56702   26.66333 59.56702   26.66333 ?          ?        72.75212 18.32219 ?        ?        ?         ?        
1 1 1 27 37 7  o 32.85521 15.40005 -22.12490  25.52872 -22.12490  25.52872 ?          ?        32.85521 15.40005 ?        ?        ?         ?        
1 1 1 27 37 8  o 94.42420 14.71971 95.30723   27.79794 95.30723   27.79794 ?          ?        94.42420 14.71971 ?        ?        ?         ?        
1 1 1 27 37 9  o 99.77164 13.07788 105.5187   26.09603 105.5187   26.09603 ?          ?        99.77164 13.07788 ?        ?        ?         ?        
1 1 1 27 38 0  o 41.83429 25.38419 20.42298   38.57674 20.42298   38.57674 20.42298   38.57674 41.83429 25.38419 41.83429 25.38419 -0.000000 0.000000 
1 1 1 27 38 1  o 76.83764 18.01368 64.67276   27.23064 64.67276   27.23064 ?          ?        76.83764 18.01368 ?        ?        ?         ?        
1 1 1 27 38 2  o 138.1024 10.47504 194.5856   28.93255 194.5856   28.93255 ?          ?        138.1024 10.47504 ?        ?        ?         ?        
1 1 1 27 38 3  o 136.1315 9.584857 188.9126   26.09603 188.9126   26.09603 ?          ?        136.1315 9.584857 ?        ?        ?         ?        
1 1 1 27 38 4  f 51.48067 18.12936 26.09603   23.25950 26.09603   23.25950 ?          ?        51.48067 18.12936 ?        ?        ?         ?        
1 1 1 27 38 5  o 57.60448 19.67301 35.17290   27.23064 35.17290   27.23064 ?          ?        57.60448 19.67301 ?        ?        ?         ?        
1 1 1 27 38 6  o 32.80137 15.06359 -14.18262  22.69220 -14.18262  22.69220 ?          ?        32.80137 15.06359 ?        ?        ?         ?        
1 1 1 27 38 7  o 129.0510 11.20974 172.4607   28.93255 172.4607   28.93255 ?          ?        129.0510 11.20974 ?        ?        ?         ?        
1 1 1 27 38 8  o 64.74403 20.18545 48.22092   28.93255 48.22092   28.93255 ?          ?        64.74403 20.18545 ?        ?        ?         ?        
1 1 1 27 38 9  o 51.24852 21.88266 11.91340   39.71135 11.91340   39.71135 ?          ?        51.24852 21.88266 ?        ?        ?         ?        
1 1 1 27 39 0  o 83.30305 24.69585 88.49958   35.74022 88.49958   35.74022 88.49958   35.74022 83.30305 24.69585 83.30305 24.69585 -0.000000 0.000000 
1 1 1 27 39 1  o 62.45743 20.05862 41.98057   28.36525 41.98057   28.36525 ?          ?        62.45743 20.05862 ?        ?        ?         ?        
1 1 1 27 39 2  o 259.9507 9.384131 688.7083   48.78823 688.7083   48.78823 ?          ?        259.9507 9.384131 ?        ?        ?         ?        
1 1 1 27 39 3  o 79.52855 17.24826 69.77851   26.66333 69.77851   26.66333 ?          ?        79.52855 17.24826 ?        ?        ?         ?        
1 1 1 27 39 4  o 75.92577 18.45916 64.67276   27.79794 64.67276   27.79794 ?          ?        75.92577 18.45916 ?        ?        ?         ?        
1 1 1 27 39 5  o 62.70554 19.09471 43.68248   26.09603 43.68248   26.09603 ?          ?        62.70554 19.09471 ?        ?        ?         ?        
1 1 1 27 39 6  o 123.4523 10.56927 157.1435   26.09603 157.1435   26.09603 ?          ?        123.4523 10.56927 ?        ?        ?         ?        
1 1 1 27 39 7  o 50.64133 18.85295 24.39412   25.52872 24.39412   25.52872 ?          ?        50.64133 18.85295 ?        ?        ?         ?        
1 1 1 27 39 8  o 60.39605 18.21663 41.41326   23.82681 41.41326   23.82681 ?          ?        60.39605 18.21663 ?        ?        ?         ?        
1 1 1 27 40 0  o 159.3025 13.54251 264.3641   42.54787 264.3641   42.54787 264.3641   42.54787 159.3025 13.54251 159.3025 13.54251 -0.000000 0.000000 
1 1 1 27 40 1  o 68.82124 18.24694 52.75936   25.52872 52.75936   25.52872 ?          ?        68.82124 18.24694 ?        ?        ?         ?        
1 1 1 27 40 2  o 37.00649 16.82325 -13.04801  27.23064 -13.04801  27.23064 ?          ?        37.00649 16.82325 ?        ?        ?         ?        
1 1 1 27 40 3  o 67.96440 18.35081 51.62476   25.52872 51.62476   25.52872 ?          ?        67.96440 18.35081 ?        ?        ?         ?        
1 1 1 27 40 4  o 62.94517 18.57219 44.24979   24.96142 44.24979   24.96142 ?          ?        62.94517 18.57219 ?        ?        ?         ?        
1 1 1 27 40 5  o 38.84013 16.77562 0.5673050  23.82681 0.5673050  23.82681 ?          ?        38.84013 16.77562 ?        ?        ?         ?        
1 1 1 27 40 6  o 122.6176 11.56655 156.0089   28.36525 156.0089   28.36525 ?          ?        122.6176 11.56655 ?        ?        ?         ?        
1 1 1 27 40 7  o 35.54061 16.19209 -11.91340  25.52872 -11.91340  25.52872 ?          ?        35.54061 16.19209 ?        ?        ?         ?        
1 1 1 27 40 8  o 86.62603 15.63442 83.39383   26.09603 83.39383   26.09603 ?          ?        86.62603 15.63442 ?        ?        ?         ?        
1 1 1 27 41 0  o 62.93781 27.26894 60.13433   35.17290 60.13433   35.17290 60.13433   35.17290 62.93781 27.26894 62.93781 27.26894 -0.000000 0.000000 
1 1 1 27 41 1  o 44.27986 18.36417 8.509575   26.66333 8.509575   26.66333 ?          ?        44.27986 18.36417 ?        ?        ?         ?        
1 1 1 27 41 2  o 129.6937 10.71677 173.0280   27.79794 173.0280   27.79794 ?          ?        129.6937 10.71677 ?        ?        ?         ?        
1 1 1 27 41 3  f 53.56125 18.59462 29.49986   24.39412 29.49986   24.39412 ?          ?        53.56125 18.59462 ?        ?        ?         ?        
1 1 1 27 41 4  o 44.50021 18.27969 10.21149   26.09603 10.21149   26.09603 ?          ?        44.50021 18.27969 ?        ?        ?         ?        
1 1 1 27 41 5  o 98.25584 14.43438 102.1149   28.36525 102.1149   28.36525 ?          ?        98.25584 14.43438 ?        ?        ?         ?        
1 1 1 27 41 6  o 52.35666 19.63689 26.09603   27.79794 26.09603   27.79794 ?          ?        52.35666 19.63689 ?        ?        ?         ?        
1 1 1 27 41 7  o 58.26040 19.67302 37.44213   27.23064 37.44213   27.23064 ?          ?        58.26040 19.67302 ?        ?        ?         ?        
1 1 1 27 42 0  o 189.1582 11.94446 368.7482   44.81709 368.7482   44.81709 368.7482   44.81709 189.1582 11.94446 189.1582 11.94446 -0.000000 0.000000 
1 1 1 27 42 1  o 36.29183 16.59724 -14.74993  27.23064 -14.74993  27.23064 ?          ?        36.29183 16.59724 ?        ?        ?         ?        
1 1 1 27 42 2  o 170.1602 9.001653 295.5659   30.63447 295.5659   30.63447 ?          ?        170.1602 9.001653 ?        ?        ?         ?        
1 1 1 27 42 3  o 51.64270 19.25907 24.39412   26.66333 24.39412   26.66333 ?          ?        51.64270 19.25907 ?        ?        ?         ?        
1 1 1 27 42 4  o 134.6354 10.32342 186.6433   27.79794 186.6433   27.79794 ?          ?        134.6354 10.32342 ?        ?        ?         ?        
1 1 1 27 42 5  o 83.38535 16.57677 77.15348   26.66333 77.15348   26.66333 ?          ?        83.38535 16.57677 ?        ?        ?         ?        
1 1 1 27 42 6  o 39.52146 17.47498 -3.403830  27.23064 -3.403830  27.23064 ?          ?        39.52146 17.47498 ?        ?        ?         ?        
1 1 1 27 42 7  o 85.52430 17.18790 82.82652   28.36525 82.82652   28.36525 ?          ?        85.52430 17.18790 ?        ?        ?         ?        
1 1 1 27 43 0  o 127.6905 15.48349 174.7299   38.57674 174.7299   38.57674 174.7299   38.57674 127.6905 15.48349 127.6905 15.48349 -0.000000 0.000000 
1 1 1 27 43 1  o 60.09262 19.67301 39.14404   27.23064 39.14404   27.23064 ?          ?        60.09262 19.67301 ?        ?        ?         ?        
1 1 1 27 43 2  o 58.34127 19.04831 36.87482   25.52872 36.87482   25.52872 ?          ?        58.34127 19.04831 ?        ?        ?         ?        
1 1 1 27 43 3  o 169.8828 9.684233 296.1332   32.90369 296.1332   32.90369 ?          ?        169.8828 9.684233 ?        ?        ?         ?        
1 1 1 27 43 4  o 55.66772 20.15730 31.20177   28.93255 31.20177   28.93255 ?          ?        55.66772 20.15730 ?        ?        ?         ?        
1 1 1 27 43 5  o 49.15039 18.56770 22.12490   24.96142 22.12490   24.96142 ?          ?        49.15039 18.56770 ?        ?        ?         ?        
1 1 1 27 43 6  o 149.5934 9.480783 230.3258   28.36525 230.3258   28.36525 ?          ?        149.5934 9.480783 ?        ?        ?         ?        
1 1 1 27 43 7  o 56.39962 19.63963 34.60560   27.23064 34.60560   27.23064 ?          ?        56.39962 19.63963 ?        ?        ?         ?        
1 1 1 27 44 0  o 103.5997 22.88283 127.6436   41.41326 127.6436   41.41326 127.6436   41.41326 103.5997 22.88283 103.5997 22.88283 -0.000000 0.000000 
1 1 1 27 44 1  o 98.83039 14.35047 103.2495   28.36525 103.2495   28.36525 ?          ?        98.83039 14.35047 ?        ?        ?         ?        
1 1 1 27 44 2  o 34.08250 15.84609 -19.28837  26.09603 -19.28837  26.09603 ?          ?        34.08250 15.84609 ?        ?        ?         ?        
1 1 1 27 44 3  o 91.44696 15.19894 89.06688   27.79794 89.06688   27.79794 ?          ?        91.44696 15.19894 ?        ?        ?         ?        
1 1 1 27 44 4  o 96.09830 12.69227 97.00916   24.39412 97.00916   24.39412 ?          ?        96.09830 12.69227 ?        ?        ?         ?        
1 1 1 27 44 5  o 65.44175 19.90357 49.35553   28.36525 49.35553   28.36525 ?          ?        65.44175 19.90357 ?        ?        ?         ?        
1 1 1 27 44 6  o 114.7280 12.60920 138.9897   28.93255 138.9897   28.93255 ?          ?        114.7280 12.60920 ?        ?        ?         ?        
1 1 1 27 45 0  f 94.45122 24.36818 110.6245   39.71135 110.6245   39.71135 110.6245   39.71135 94.45122 24.36818 94.45122 24.36818 -0.000000 0.000000 
1 1 1 27 45 1  o 39.97517 17.59795 -2.836525  27.23064 -2.836525  27.23064 ?          ?        39.97517 17.59795 ?        ?        ?         ?        
1 1 1 27 45 2  o 72.09733 18.10753 58.99971   26.09603 58.99971   26.09603 ?          ?        72.09733 18.10753 ?        ?        ?         ?        
1 1 1 27 45 3  o 81.36636 17.58079 74.88425   27.79794 74.88425   27.79794 ?          ?        81.36636 17.58079 ?        ?        ?         ?        
1 1 1 27 45 4  o 88.20682 16.68618 86.79766   28.36525 86.79766   28.36525 ?          ?        88.20682 16.68618 ?        ?        ?         ?        
1 1 1 27 45 5  o 111.6885 12.19044 131.0475   27.23064 131.0475   27.23064 ?          ?        111.6885 12.19044 ?        ?        ?         ?        
1 1 1 27 46 0  o 189.0138 12.26132 369.8828   45.95170 369.8828   45.95170 369.8828   45.95170 189.0138 12.26132 189.0138 12.26132 -0.000000 0.000000 
1 1 1 27 46 1  o 46.31133 18.42680 15.88454   25.52872 15.88454   25.52872 ?          ?        46.31133 18.42680 ?        ?        ?         ?        
1 1 1 27 46 2  o 138.4128 10.24662 197.9895   28.36525 197.9895   28.36525 ?          ?        138.4128 10.24662 ?        ?        ?         ?        
1 1 1 27 46 3  o 58.22366 19.46698 37.44213   26.66333 37.44213   26.66333 ?          ?        58.22366 19.46698 ?        ?        ?         ?        
1 1 1 27 46 4  o 43.32542 17.96881 9.644185   25.52872 9.644185   25.52872 ?          ?        43.32542 17.96881 ?        ?        ?         ?        
1 1 1 27 46 5  o 44.75146 18.31394 12.48071   26.09603 12.48071   26.09603 ?          ?        44.75146 18.31394 ?        ?        ?         ?        
1 1 1 27 47 0  o 44.88918 26.65973 29.49986   40.84595 29.49986   40.84595 29.49986   40.84595 44.88918 26.65973 44.88918 26.65973 -0.000000 0.000000 
1 1 1 27 47 1  o 57.30942 20.56874 34.60560   30.06716 34.60560   30.06716 ?          ?        57.30942 20.56874 ?        ?        ?         ?        
1 1 1 27 47 2  o 32.19791 15.08514 -20.42298  24.39412 -20.42298  24.39412 ?          ?        32.19791 15.08514 ?        ?        ?         ?        
1 1 1 27 47 3  o 56.61141 19.83071 34.60560   27.79794 34.60560   27.79794 ?          ?        56.61141 19.83071 ?        ?        ?         ?        
1 1 1 27 47 4  o 27.78244 13.74713 -58.99971  28.36525 -58.99971  28.36525 ?          ?        27.78244 13.74713 ?        ?        ?         ?        
1 1 1 27 48 0  o 72.06935 28.65134 78.28809   39.71135 78.28809   39.71135 78.28809   39.71135 72.06935 28.65134 72.06935 28.65134 -0.000000 0.000000 
1 1 1 27 48 1  o 39.84126 17.38471 0.000000   26.09603 0.000000   26.09603 ?          ?        39.84126 17.38471 ?        ?        ?         ?        
1 1 1 27 48 2  o 109.0732 13.00284 125.9417   28.36525 125.9417   28.36525 ?          ?        109.0732 13.00284 ?        ?        ?         ?        
1 1 1 27 48 3  o 32.55337 15.45704 -27.79794  27.23064 -27.79794  27.23064 ?          ?        32.55337 15.45704 ?        ?        ?         ?        
1 1 1 27 49 0  o 34.88782 22.75952 4.538440   37.44213 4.538440   37.44213 4.538440   37.44213 34.88782 22.75952 34.88782 22.75952 -0.000000 0.000000 
1 1 1 27 49 1  o 68.10088 19.96379 54.46128   28.93255 54.46128   28.93255 ?          ?        68.10088 19.96379 ?        ?        ?         ?        
1 1 1 27 49 2  o 105.5073 14.24886 119.1340   30.06716 119.1340   30.06716 ?          ?        105.5073 14.24886 ?        ?        ?         ?        
1 1 1 28 0  3  o 168.0866 32.43489 317.6908   97.57646 317.6908   97.57646 317.6908   97.57646 168.0866 32.43489 168.0866 32.43489 -0.000000 0.000000 
1 1 1 28 0  4  o 46.39279 31.08887 -18.72106  77.72078 -18.72106  77.72078 -18.72106  77.72078 46.39279 31.08887 46.39279 31.08887 -0.000000 0.000000 
1 1 1 28 0  5  o 138.7177 27.30217 216.7105   67.50929 216.7105   67.50929 216.7105   67.50929 138.7177 27.30217 138.7177 27.30217 -0.000000 0.000000 
1 1 1 28 0  6  o 31.27630 22.20464 -56.73050  53.89397 -56.73050  53.89397 -56.73050  53.89397 31.27630 22.20464 31.27630 22.20464 -0.000000 0.000000 
1 1 1 28 0  7  o 110.1112 29.85756 149.2012   56.73050 149.2012   56.73050 149.2012   56.73050 110.1112 29.85756 110.1112 29.85756 -0.000000 0.000000 
1 1 1 28 0  8  f 54.94316 34.13252 31.20177   73.18234 31.20177   73.18234 31.20177   73.18234 54.94316 34.13252 54.94316 34.13252 -0.000000 0.000000 
1 1 1 28 0  9  o 213.4548 17.64161 475.4016   74.31695 475.4016   74.31695 475.4016   74.31695 213.4548 17.64161 213.4548 17.64161 -0.000000 0.000000 
1 1 1 28 0  10 o 45.77868 29.38606 13.04801   58.99971 13.04801   58.99971 13.04801   58.99971 45.77868 29.38606 45.77868 29.38606 -0.000000 0.000000 
1 1 1 28 0  11 o 29.22555 20.75006 -45.95170  47.08631 -45.95170  47.08631 -45.95170  47.08631 29.22555 20.75006 29.22555 20.75006 -0.000000 0.000000 
1 1 1 28 0  12 o 112.9867 27.24104 157.7108   53.32666 157.7108   53.32666 157.7108   53.32666 112.9867 27.24104 112.9867 27.24104 -0.000000 0.000000 
1 1 1 28 0  13 o 43.11269 25.66631 26.66333   38.00943 26.66333   38.00943 26.66333   38.00943 43.11269 25.66631 43.11269 25.66631 -0.000000 0.000000 
1 1 1 28 1  1  o 120.4826 31.10699 157.7108   75.45156 157.7108   75.45156 ?          ?        120.4826 31.10699 ?        ?        ?         ?        
1 1 1 28 1  2  o 183.3046 16.55758 340.9503   60.70163 340.9503   60.70163 ?          ?        183.3046 16.55758 ?        ?        ?         ?        
1 1 1 28 1  3  o 168.1078 20.75410 289.3255   69.77851 289.3255   69.77851 ?          ?        168.1078 20.75410 ?        ?        ?         ?        
1 1 1 28 1  4  o 74.89742 29.17908 40.27865   62.97085 40.27865   62.97085 ?          ?        74.89742 29.17908 ?        ?        ?         ?        
1 1 1 28 1  5  o 242.8130 16.23789 600.2086   78.85539 600.2086   78.85539 ?          ?        242.8130 16.23789 ?        ?        ?         ?        
1 1 1 28 1  6  o 73.31231 22.98408 56.16319   37.44213 56.16319   37.44213 ?          ?        73.31231 22.98408 ?        ?        ?         ?        
1 1 1 28 1  7  o 173.8598 16.47817 310.8831   57.29780 310.8831   57.29780 ?          ?        173.8598 16.47817 ?        ?        ?         ?        
1 1 1 28 1  8  o 28.11173 14.19164 -122.5379  38.00943 -122.5379  38.00943 ?          ?        28.11173 14.19164 ?        ?        ?         ?        
1 1 1 28 1  9  o 54.74305 21.79621 19.85567   35.74022 19.85567   35.74022 ?          ?        54.74305 21.79621 ?        ?        ?         ?        
1 1 1 28 1  10 o 45.37336 19.82618 -2.836525  34.03830 -2.836525  34.03830 ?          ?        45.37336 19.82618 ?        ?        ?         ?        
1 1 1 28 1  11 o 59.37578 21.15952 35.74022   31.76908 35.74022   31.76908 ?          ?        59.37578 21.15952 ?        ?        ?         ?        
1 1 1 28 1  12 o 92.80589 18.68909 97.00916   33.47099 97.00916   33.47099 ?          ?        92.80589 18.68909 ?        ?        ?         ?        
1 1 1 28 1  13 o 33.36393 15.74337 -26.66333  27.79794 -26.66333  27.79794 ?          ?        33.36393 15.74337 ?        ?        ?         ?        
1 1 1 28 2  0  o 59.41816 38.46682 8.509575   104.3841 8.509575   104.3841 8.509575   104.3841 59.41816 38.46682 59.41816 38.46682 -0.000000 0.000000 
1 1 1 28 2  1  o 257.2396 14.11428 668.2853   72.61504 668.2853   72.61504 ?          ?        257.2396 14.11428 ?        ?        ?         ?        
1 1 1 28 2  2  o 120.2895 34.06285 158.2781   85.66305 158.2781   85.66305 ?          ?        120.2895 34.06285 ?        ?        ?         ?        
1 1 1 28 2  3  o 51.16589 24.07427 -66.94199  64.10546 -66.94199  64.10546 ?          ?        51.16589 24.07427 ?        ?        ?         ?        
1 1 1 28 2  4  o 109.8290 17.56219 123.1052   38.57674 123.1052   38.57674 ?          ?        109.8290 17.56219 ?        ?        ?         ?        
1 1 1 28 2  5  o 154.6015 19.26470 245.0758   59.56702 245.0758   59.56702 ?          ?        154.6015 19.26470 ?        ?        ?         ?        
1 1 1 28 2  6  o 133.8804 14.83090 182.6722   39.71135 182.6722   39.71135 ?          ?        133.8804 14.83090 ?        ?        ?         ?        
1 1 1 28 2  7  o 353.5230 14.76341 1278.705   104.3841 1278.705   104.3841 ?          ?        353.5230 14.76341 ?        ?        ?         ?        
1 1 1 28 2  8  o 131.1535 15.35553 176.9992   40.27865 176.9992   40.27865 ?          ?        131.1535 15.35553 ?        ?        ?         ?        
1 1 1 28 2  9  o 55.05593 22.86332 13.04801   41.41326 13.04801   41.41326 ?          ?        55.05593 22.86332 ?        ?        ?         ?        
1 1 1 28 2  10 o 43.30132 18.95095 -3.403830  31.20177 -3.403830  31.20177 ?          ?        43.30132 18.95095 ?        ?        ?         ?        
1 1 1 28 2  11 o 47.52063 19.89756 9.076880   31.76908 9.076880   31.76908 ?          ?        47.52063 19.89756 ?        ?        ?         ?        
1 1 1 28 2  12 o 31.07455 15.08348 -45.38440  29.49986 -45.38440  29.49986 ?          ?        31.07455 15.08348 ?        ?        ?         ?        
1 1 1 28 2  13 o 35.72584 16.63906 -20.42298  28.93255 -20.42298  28.93255 ?          ?        35.72584 16.63906 ?        ?        ?         ?        
1 1 1 28 3  0  o 154.0459 43.23262 294.9986   115.1629 294.9986   115.1629 294.9986   115.1629 154.0459 43.23262 154.0459 43.23262 -0.000000 0.000000 
1 1 1 28 3  1  o 117.6504 30.93183 150.3358   73.74965 150.3358   73.74965 ?          ?        117.6504 30.93183 ?        ?        ?         ?        
1 1 1 28 3  2  o 75.99124 28.58707 46.51900   58.99971 46.51900   58.99971 ?          ?        75.99124 28.58707 ?        ?        ?         ?        
1 1 1 28 3  3  o 102.1412 38.94072 87.93227   110.6245 87.93227   110.6245 ?          ?        102.1412 38.94072 ?        ?        ?         ?        
1 1 1 28 3  4  o 167.5120 12.69995 283.6525   42.54787 283.6525   42.54787 ?          ?        167.5120 12.69995 ?        ?        ?         ?        
1 1 1 28 3  5  f 123.2775 24.80139 163.3838   58.99971 163.3838   58.99971 ?          ?        123.2775 24.80139 ?        ?        ?         ?        
1 1 1 28 3  6  o 74.14485 27.54970 48.22092   54.46128 48.22092   54.46128 ?          ?        74.14485 27.54970 ?        ?        ?         ?        
1 1 1 28 3  7  o 273.6334 13.26867 763.0251   72.61504 763.0251   72.61504 ?          ?        273.6334 13.26867 ?        ?        ?         ?        
1 1 1 28 3  8  o 55.62258 22.02441 20.42298   36.30752 20.42298   36.30752 ?          ?        55.62258 22.02441 ?        ?        ?         ?        
1 1 1 28 3  9  o 42.00970 19.83484 -45.38440  44.24979 -45.38440  44.24979 ?          ?        42.00970 19.83484 ?        ?        ?         ?        
1 1 1 28 3  10 f 42.87819 18.59479 -1.134610  29.49986 -1.134610  29.49986 ?          ?        42.87819 18.59479 ?        ?        ?         ?        
1 1 1 28 3  11 o 118.3150 13.90512 146.3647   32.90369 146.3647   32.90369 ?          ?        118.3150 13.90512 ?        ?        ?         ?        
1 1 1 28 3  12 o 60.31278 20.84739 39.14404   30.63447 39.14404   30.63447 ?          ?        60.31278 20.84739 ?        ?        ?         ?        
1 1 1 28 3  13 o 64.29929 19.97450 47.65361   28.36525 47.65361   28.36525 ?          ?        64.29929 19.97450 ?        ?        ?         ?        
1 1 1 28 4  0  o 87.44120 39.65173 114.5956   74.31695 114.5956   74.31695 114.5956   74.31695 87.44120 39.65173 87.44120 39.65173 -0.000000 0.000000 
1 1 1 28 4  1  f 71.87269 30.08742 14.18262   72.61504 14.18262   72.61504 ?          ?        71.87269 30.08742 ?        ?        ?         ?        
1 1 1 28 4  2  f 74.58265 26.93371 49.35553   51.62476 49.35553   51.62476 ?          ?        74.58265 26.93371 ?        ?        ?         ?        
1 1 1 28 4  3  o 164.6868 36.91603 301.8062   118.5667 301.8062   118.5667 ?          ?        164.6868 36.91603 ?        ?        ?         ?        
1 1 1 28 4  4  o 63.99802 23.41931 35.17290   39.14404 35.17290   39.14404 ?          ?        63.99802 23.41931 ?        ?        ?         ?        
1 1 1 28 4  5  o 154.5359 14.50055 242.2392   44.81709 242.2392   44.81709 ?          ?        154.5359 14.50055 ?        ?        ?         ?        
1 1 1 28 4  6  o 91.55442 34.85149 74.88425   88.49958 74.88425   88.49958 ?          ?        91.55442 34.85149 ?        ?        ?         ?        
1 1 1 28 4  7  f 149.6835 17.24464 231.4604   51.62476 231.4604   51.62476 ?          ?        149.6835 17.24464 ?        ?        ?         ?        
1 1 1 28 4  8  o 88.66690 22.88510 86.79766   40.84595 86.79766   40.84595 ?          ?        88.66690 22.88510 ?        ?        ?         ?        
1 1 1 28 4  9  o 34.38205 16.66180 -56.16319  35.74022 -56.16319  35.74022 ?          ?        34.38205 16.66180 ?        ?        ?         ?        
1 1 1 28 4  10 o 50.10329 20.30911 14.18262   31.76908 14.18262   31.76908 ?          ?        50.10329 20.30911 ?        ?        ?         ?        
1 1 1 28 4  11 o 167.5656 10.49527 288.1909   35.17290 288.1909   35.17290 ?          ?        167.5656 10.49527 ?        ?        ?         ?        
1 1 1 28 4  12 o 49.81543 20.38636 15.31723   32.33638 15.31723   32.33638 ?          ?        49.81543 20.38636 ?        ?        ?         ?        
1 1 1 28 4  13 o 56.74174 20.72243 33.47099   30.63447 33.47099   30.63447 ?          ?        56.74174 20.72243 ?        ?        ?         ?        
1 1 1 28 5  0  o 81.53049 40.19464 102.1149   77.72078 102.1149   77.72078 102.1149   77.72078 81.53049 40.19464 81.53049 40.19464 -0.000000 0.000000 
1 1 1 28 5  1  o 121.1259 24.03814 156.0089   56.16319 156.0089   56.16319 ?          ?        121.1259 24.03814 ?        ?        ?         ?        
1 1 1 28 5  2  o 80.84943 26.17205 66.37468   48.22092 66.37468   48.22092 ?          ?        80.84943 26.17205 ?        ?        ?         ?        
1 1 1 28 5  3  o 85.60899 24.55882 77.72078   44.24979 77.72078   44.24979 ?          ?        85.60899 24.55882 ?        ?        ?         ?        
1 1 1 28 5  4  o 51.29734 23.04604 -20.42298  49.35553 -20.42298  49.35553 ?          ?        51.29734 23.04604 ?        ?        ?         ?        
1 1 1 28 5  5  o 138.5864 15.35067 195.1529   42.54787 195.1529   42.54787 ?          ?        138.5864 15.35067 ?        ?        ?         ?        
1 1 1 28 5  6  o 68.13116 26.32946 35.17290   51.05745 35.17290   51.05745 ?          ?        68.13116 26.32946 ?        ?        ?         ?        
1 1 1 28 5  7  o 89.09013 23.29776 87.36497   41.98057 87.36497   41.98057 ?          ?        89.09013 23.29776 ?        ?        ?         ?        
1 1 1 28 5  8  o 76.99284 21.36566 64.67276   34.03830 64.67276   34.03830 ?          ?        76.99284 21.36566 ?        ?        ?         ?        
1 1 1 28 5  9  o 133.9807 14.60809 185.5087   39.14404 185.5087   39.14404 ?          ?        133.9807 14.60809 ?        ?        ?         ?        
1 1 1 28 5  10 o 36.41113 17.02131 -26.09603  30.63447 -26.09603  30.63447 ?          ?        36.41113 17.02131 ?        ?        ?         ?        
1 1 1 28 5  11 o 159.8925 10.99892 263.2295   35.17290 263.2295   35.17290 ?          ?        159.8925 10.99892 ?        ?        ?         ?        
1 1 1 28 5  12 o 93.49918 17.93199 97.57646   32.33638 97.57646   32.33638 ?          ?        93.49918 17.93199 ?        ?        ?         ?        
1 1 1 28 5  13 o 49.07846 19.58880 18.72106   28.93255 18.72106   28.93255 ?          ?        49.07846 19.58880 ?        ?        ?         ?        
1 1 1 28 6  0  o 55.17267 33.39217 33.47099   66.37468 33.47099   66.37468 33.47099   66.37468 55.17267 33.39217 55.17267 33.39217 -0.000000 0.000000 
1 1 1 28 6  1  o 110.3649 20.29229 128.2109   43.11518 128.2109   43.11518 ?          ?        110.3649 20.29229 ?        ?        ?         ?        
1 1 1 28 6  2  o 113.9694 32.65701 141.2589   78.28809 141.2589   78.28809 ?          ?        113.9694 32.65701 ?        ?        ?         ?        
1 1 1 28 6  3  o 85.13739 23.54568 77.15348   41.41326 77.15348   41.41326 ?          ?        85.13739 23.54568 ?        ?        ?         ?        
1 1 1 28 6  4  o 37.58177 18.16027 -64.10546  41.41326 -64.10546  41.41326 ?          ?        37.58177 18.16027 ?        ?        ?         ?        
1 1 1 28 6  5  o 172.6273 14.62403 302.3735   50.49014 302.3735   50.49014 ?          ?        172.6273 14.62403 ?        ?        ?         ?        
1 1 1 28 6  6  o 183.0110 14.10428 340.9503   51.62476 340.9503   51.62476 ?          ?        183.0110 14.10428 ?        ?        ?         ?        
1 1 1 28 6  7  o 157.1330 12.27519 251.3161   38.57674 251.3161   38.57674 ?          ?        157.1330 12.27519 ?        ?        ?         ?        
1 1 1 28 6  8  o 89.25037 18.99996 86.23035   32.90369 86.23035   32.90369 ?          ?        89.25037 18.99996 ?        ?        ?         ?        
1 1 1 28 6  9  o 146.1650 13.19630 219.5470   38.57674 219.5470   38.57674 ?          ?        146.1650 13.19630 ?        ?        ?         ?        
1 1 1 28 6  10 o 62.11003 21.59249 39.14404   32.90369 39.14404   32.90369 ?          ?        62.11003 21.59249 ?        ?        ?         ?        
1 1 1 28 6  11 o 50.79186 20.63822 16.45185   32.90369 16.45185   32.90369 ?          ?        50.79186 20.63822 ?        ?        ?         ?        
1 1 1 28 6  12 o 36.80539 16.55290 -8.509575  25.52872 -8.509575  25.52872 ?          ?        36.80539 16.55290 ?        ?        ?         ?        
1 1 1 28 6  13 o 32.89044 15.37126 -19.28837  24.96142 -19.28837  24.96142 ?          ?        32.89044 15.37126 ?        ?        ?         ?        
1 1 1 28 7  0  o 118.1229 35.09970 175.2972   72.04772 175.2972   72.04772 175.2972   72.04772 118.1229 35.09970 118.1229 35.09970 -0.000000 0.000000 
1 1 1 28 7  1  o 208.8350 13.17513 440.2286   55.02858 440.2286   55.02858 ?          ?        208.8350 13.17513 ?        ?        ?         ?        
1 1 1 28 7  2  o 148.4171 27.59698 235.9989   78.85539 235.9989   78.85539 ?          ?        148.4171 27.59698 ?        ?        ?         ?        
1 1 1 28 7  3  o 116.4013 19.00744 138.4224   44.24979 138.4224   44.24979 ?          ?        116.4013 19.00744 ?        ?        ?         ?        
1 1 1 28 7  4  o 46.30264 20.93914 -20.42298  41.41326 -20.42298  41.41326 ?          ?        46.30264 20.93914 ?        ?        ?         ?        
1 1 1 28 7  5  o 152.1811 15.47049 235.4316   47.08631 235.4316   47.08631 ?          ?        152.1811 15.47049 ?        ?        ?         ?        
1 1 1 28 7  6  o 65.77186 21.62540 43.68248   32.90369 43.68248   32.90369 ?          ?        65.77186 21.62540 ?        ?        ?         ?        
1 1 1 28 7  7  o 172.2986 11.68862 301.8062   40.27865 301.8062   40.27865 ?          ?        172.2986 11.68862 ?        ?        ?         ?        
1 1 1 28 7  8  o 118.7696 16.00133 145.7974   38.00943 145.7974   38.00943 ?          ?        118.7696 16.00133 ?        ?        ?         ?        
1 1 1 28 7  9  o 107.4565 19.16723 125.3744   39.71135 125.3744   39.71135 ?          ?        107.4565 19.16723 ?        ?        ?         ?        
1 1 1 28 7  10 f 39.14814 17.85320 -17.01915  31.20177 -17.01915  31.20177 ?          ?        39.14814 17.85320 ?        ?        ?         ?        
1 1 1 28 7  11 o 170.9194 10.62124 300.6716   36.30752 300.6716   36.30752 ?          ?        170.9194 10.62124 ?        ?        ?         ?        
1 1 1 28 7  12 o 95.49510 15.14871 97.00916   28.93255 97.00916   28.93255 ?          ?        95.49510 15.14871 ?        ?        ?         ?        
1 1 1 28 7  13 o 38.84478 16.77660 1.701915   23.82681 1.701915   23.82681 ?          ?        38.84478 16.77660 ?        ?        ?         ?        
1 1 1 28 8  0  o 119.3972 36.99817 182.1049   77.15348 182.1049   77.15348 182.1049   77.15348 119.3972 36.99817 119.3972 36.99817 -0.000000 0.000000 
1 1 1 28 8  1  o 133.9101 21.39412 183.8068   57.29780 183.8068   57.29780 ?          ?        133.9101 21.39412 ?        ?        ?         ?        
1 1 1 28 8  2  o 189.6593 21.98516 369.3155   83.39383 369.3155   83.39383 ?          ?        189.6593 21.98516 ?        ?        ?         ?        
1 1 1 28 8  3  o 74.05268 25.96219 51.62476   47.65361 51.62476   47.65361 ?          ?        74.05268 25.96219 ?        ?        ?         ?        
1 1 1 28 8  4  o 123.2908 14.72434 154.3070   36.30752 154.3070   36.30752 ?          ?        123.2908 14.72434 ?        ?        ?         ?        
1 1 1 28 8  5  o 155.5974 11.84943 244.5084   36.87482 244.5084   36.87482 ?          ?        155.5974 11.84943 ?        ?        ?         ?        
1 1 1 28 8  6  o 113.5646 16.73472 132.1821   38.00943 132.1821   38.00943 ?          ?        113.5646 16.73472 ?        ?        ?         ?        
1 1 1 28 8  7  o 112.8127 16.59481 131.6148   37.44213 131.6148   37.44213 ?          ?        112.8127 16.59481 ?        ?        ?         ?        
1 1 1 28 8  8  o 38.12947 17.99218 -38.57674  36.30752 -38.57674  36.30752 ?          ?        38.12947 17.99218 ?        ?        ?         ?        
1 1 1 28 8  9  o 116.4957 14.12228 140.1243   32.90369 140.1243   32.90369 ?          ?        116.4957 14.12228 ?        ?        ?         ?        
1 1 1 28 8  10 o 40.62322 18.20575 -10.21149  30.63447 -10.21149  30.63447 ?          ?        40.62322 18.20575 ?        ?        ?         ?        
1 1 1 28 8  11 o 170.5044 9.981650 298.4024   34.03830 298.4024   34.03830 ?          ?        170.5044 9.981650 ?        ?        ?         ?        
1 1 1 28 8  12 f 66.92274 20.05137 51.05745   28.93255 51.05745   28.93255 ?          ?        66.92274 20.05137 ?        ?        ?         ?        
1 1 1 28 8  13 o 105.0914 13.49552 117.4321   28.36525 117.4321   28.36525 ?          ?        105.0914 13.49552 ?        ?        ?         ?        
1 1 1 28 9  0  o 49.76725 31.99500 9.076880   70.34581 9.076880   70.34581 9.076880   70.34581 49.76725 31.99500 49.76725 31.99500 -0.000000 0.000000 
1 1 1 28 9  1  o 73.69750 31.06380 12.48071   78.28809 12.48071   78.28809 ?          ?        73.69750 31.06380 ?        ?        ?         ?        
1 1 1 28 9  2  o 113.5246 33.01171 140.1243   79.42269 140.1243   79.42269 ?          ?        113.5246 33.01171 ?        ?        ?         ?        
1 1 1 28 9  3  o 131.9279 16.12542 176.9992   42.54787 176.9992   42.54787 ?          ?        131.9279 16.12542 ?        ?        ?         ?        
1 1 1 28 9  4  o 111.8637 14.96061 127.0763   33.47099 127.0763   33.47099 ?          ?        111.8637 14.96061 ?        ?        ?         ?        
1 1 1 28 9  5  o 115.9230 15.41549 136.7205   35.74022 136.7205   35.74022 ?          ?        115.9230 15.41549 ?        ?        ?         ?        
1 1 1 28 9  6  o 154.1545 12.88037 241.1046   39.71135 241.1046   39.71135 ?          ?        154.1545 12.88037 ?        ?        ?         ?        
1 1 1 28 9  7  o 158.3616 12.71730 255.8545   40.27865 255.8545   40.27865 ?          ?        158.3616 12.71730 ?        ?        ?         ?        
1 1 1 28 9  8  o 71.95662 21.34750 56.16319   32.90369 56.16319   32.90369 ?          ?        71.95662 21.34750 ?        ?        ?         ?        
1 1 1 28 9  9  o 63.06697 21.43818 40.84595   32.33638 40.84595   32.33638 ?          ?        63.06697 21.43818 ?        ?        ?         ?        
1 1 1 28 9  10 o 110.9701 14.56986 128.2109   32.33638 128.2109   32.33638 ?          ?        110.9701 14.56986 ?        ?        ?         ?        
1 1 1 28 9  11 o 81.79225 19.92382 76.58617   32.33638 76.58617   32.33638 ?          ?        81.79225 19.92382 ?        ?        ?         ?        
1 1 1 28 9  12 o 114.8238 12.59867 137.8551   28.93255 137.8551   28.93255 ?          ?        114.8238 12.59867 ?        ?        ?         ?        
1 1 1 28 9  13 o 37.24258 17.06373 -14.18262  28.93255 -14.18262  28.93255 ?          ?        37.24258 17.06373 ?        ?        ?         ?        
1 1 1 28 10 0  o 98.01811 39.06339 136.7205   73.74965 136.7205   73.74965 136.7205   73.74965 98.01811 39.06339 98.01811 39.06339 -0.000000 0.000000 
1 1 1 28 10 1  o 161.6757 25.26412 270.6045   81.69191 270.6045   81.69191 ?          ?        161.6757 25.26412 ?        ?        ?         ?        
1 1 1 28 10 2  f 63.37069 27.44544 -3.971134  64.10546 -3.971134  64.10546 ?          ?        63.37069 27.44544 ?        ?        ?         ?        
1 1 1 28 10 3  o 112.6139 17.12787 129.3455   38.57674 129.3455   38.57674 ?          ?        112.6139 17.12787 ?        ?        ?         ?        
1 1 1 28 10 4  o 215.3046 11.06656 467.4593   47.65361 467.4593   47.65361 ?          ?        215.3046 11.06656 ?        ?        ?         ?        
1 1 1 28 10 5  o 96.26714 18.63894 98.14376   34.60560 98.14376   34.60560 ?          ?        96.26714 18.63894 ?        ?        ?         ?        
1 1 1 28 10 6  o 76.59439 23.80406 61.83624   40.27865 61.83624   40.27865 ?          ?        76.59439 23.80406 ?        ?        ?         ?        
1 1 1 28 10 7  o 97.06252 20.76791 102.6822   39.14404 102.6822   39.14404 ?          ?        97.06252 20.76791 ?        ?        ?         ?        
1 1 1 28 10 8  f 65.37034 22.84566 42.54787   36.87482 42.54787   36.87482 ?          ?        65.37034 22.84566 ?        ?        ?         ?        
1 1 1 28 10 9  o 49.67935 20.96671 6.807660   35.74022 6.807660   35.74022 ?          ?        49.67935 20.96671 ?        ?        ?         ?        
1 1 1 28 10 10 o 82.88477 17.63822 75.45156   28.36525 75.45156   28.36525 ?          ?        82.88477 17.63822 ?        ?        ?         ?        
1 1 1 28 10 11 o 102.8858 16.54179 113.4610   34.03830 113.4610   34.03830 ?          ?        102.8858 16.54179 ?        ?        ?         ?        
1 1 1 28 10 12 o 58.11979 20.06320 36.30752   28.36525 36.30752   28.36525 ?          ?        58.11979 20.06320 ?        ?        ?         ?        
1 1 1 28 10 13 o 68.08690 19.96509 54.46128   28.93255 54.46128   28.93255 ?          ?        68.08690 19.96509 ?        ?        ?         ?        
1 1 1 28 11 0  o 159.7491 40.94643 309.1812   112.8937 309.1812   112.8937 309.1812   112.8937 159.7491 40.94643 159.7491 40.94643 -0.000000 0.000000 
1 1 1 28 11 1  o 91.64459 28.03363 88.49958   56.16319 88.49958   56.16319 ?          ?        91.64459 28.03363 ?        ?        ?         ?        
1 1 1 28 11 2  o 119.9735 26.25529 155.4416   61.26894 155.4416   61.26894 ?          ?        119.9735 26.25529 ?        ?        ?         ?        
1 1 1 28 11 3  o 147.3536 14.05234 220.1143   41.41326 220.1143   41.41326 ?          ?        147.3536 14.05234 ?        ?        ?         ?        
1 1 1 28 11 4  f 138.5262 14.33352 194.5856   39.71135 194.5856   39.71135 ?          ?        138.5262 14.33352 ?        ?        ?         ?        
1 1 1 28 11 5  o 181.0410 10.49746 330.7388   38.00943 330.7388   38.00943 ?          ?        181.0410 10.49746 ?        ?        ?         ?        
1 1 1 28 11 6  o 167.4291 13.21449 284.7871   44.24979 284.7871   44.24979 ?          ?        167.4291 13.21449 ?        ?        ?         ?        
1 1 1 28 11 7  o 106.5975 20.69582 123.1052   42.54787 123.1052   42.54787 ?          ?        106.5975 20.69582 ?        ?        ?         ?        
1 1 1 28 11 8  o 52.57980 21.14160 16.45185   34.03830 16.45185   34.03830 ?          ?        52.57980 21.14160 ?        ?        ?         ?        
1 1 1 28 11 9  o 54.84478 21.92505 19.85567   36.30752 19.85567   36.30752 ?          ?        54.84478 21.92505 ?        ?        ?         ?        
1 1 1 28 11 10 o 26.62170 13.26575 -70.34581  28.36525 -70.34581  28.36525 ?          ?        26.62170 13.26575 ?        ?        ?         ?        
1 1 1 28 11 11 f 41.98070 18.76209 -7.942269  32.33638 -7.942269  32.33638 ?          ?        41.98070 18.76209 ?        ?        ?         ?        
1 1 1 28 11 12 o 61.63210 20.27847 42.54787   28.93255 42.54787   28.93255 ?          ?        61.63210 20.27847 ?        ?        ?         ?        
1 1 1 28 11 13 f 58.28315 20.42757 37.44213   29.49986 37.44213   29.49986 ?          ?        58.28315 20.42757 ?        ?        ?         ?        
1 1 1 28 12 0  o 55.63974 36.47672 -1.134610  97.57646 -1.134610  97.57646 -1.134610  97.57646 55.63974 36.47672 55.63974 36.47672 -0.000000 0.000000 
1 1 1 28 12 1  o 150.7607 13.54662 229.7585   40.84595 229.7585   40.84595 ?          ?        150.7607 13.54662 ?        ?        ?         ?        
1 1 1 28 12 2  o 117.0337 24.09227 146.9320   54.46128 146.9320   54.46128 ?          ?        117.0337 24.09227 ?        ?        ?         ?        
1 1 1 28 12 3  o 179.5975 11.68741 325.6331   41.98057 325.6331   41.98057 ?          ?        179.5975 11.68741 ?        ?        ?         ?        
1 1 1 28 12 4  o 124.9583 15.88983 158.8454   39.71135 158.8454   39.71135 ?          ?        124.9583 15.88983 ?        ?        ?         ?        
1 1 1 28 12 5  o 144.2085 12.98194 211.0374   37.44213 211.0374   37.44213 ?          ?        144.2085 12.98194 ?        ?        ?         ?        
1 1 1 28 12 6  o 86.83984 21.08594 81.69191   36.30752 81.69191   36.30752 ?          ?        86.83984 21.08594 ?        ?        ?         ?        
1 1 1 28 12 7  o 59.24222 22.38956 28.93255   36.30752 28.93255   36.30752 ?          ?        59.24222 22.38956 ?        ?        ?         ?        
1 1 1 28 12 8  o 60.18897 21.69191 34.03830   33.47099 34.03830   33.47099 ?          ?        60.18897 21.69191 ?        ?        ?         ?        
1 1 1 28 12 9  o 70.16063 23.58710 52.19205   39.14404 52.19205   39.14404 ?          ?        70.16063 23.58710 ?        ?        ?         ?        
1 1 1 28 12 10 o 70.67052 21.42544 56.16319   32.90369 56.16319   32.90369 ?          ?        70.67052 21.42544 ?        ?        ?         ?        
1 1 1 28 12 11 o 92.66975 18.09248 95.30723   32.33638 95.30723   32.33638 ?          ?        92.66975 18.09248 ?        ?        ?         ?        
1 1 1 28 12 12 o 53.42183 20.32041 26.66333   30.06716 26.66333   30.06716 ?          ?        53.42183 20.32041 ?        ?        ?         ?        
1 1 1 28 12 13 o 51.73701 20.00942 24.39412   29.49986 24.39412   29.49986 ?          ?        51.73701 20.00942 ?        ?        ?         ?        
1 1 1 28 13 0  o 42.53963 27.85783 -1.701915  56.73050 -1.701915  56.73050 -1.701915  56.73050 42.53963 27.85783 42.53963 27.85783 -0.000000 0.000000 
1 1 1 28 13 1  o 57.94017 24.23977 8.509575   47.08631 8.509575   47.08631 ?          ?        57.94017 24.23977 ?        ?        ?         ?        
1 1 1 28 13 2  o 48.69665 22.03737 -22.69220  45.95170 -22.69220  45.95170 ?          ?        48.69665 22.03737 ?        ?        ?         ?        
1 1 1 28 13 3  o 88.95842 20.49610 84.52843   35.74022 84.52843   35.74022 ?          ?        88.95842 20.49610 ?        ?        ?         ?        
1 1 1 28 13 4  f 137.0888 14.27689 190.6145   39.14404 190.6145   39.14404 ?          ?        137.0888 14.27689 ?        ?        ?         ?        
1 1 1 28 13 5  o 38.95669 17.56555 -13.61532  28.93255 -13.61532  28.93255 ?          ?        38.95669 17.56555 ?        ?        ?         ?        
1 1 1 28 13 6  o 102.6612 20.34057 113.4610   40.27865 113.4610   40.27865 ?          ?        102.6612 20.34057 ?        ?        ?         ?        
1 1 1 28 13 7  o 55.44746 21.07843 24.39412   32.33638 24.39412   32.33638 ?          ?        55.44746 21.07843 ?        ?        ?         ?        
1 1 1 28 13 8  o 113.1598 14.78926 132.1821   33.47099 132.1821   33.47099 ?          ?        113.1598 14.78926 ?        ?        ?         ?        
1 1 1 28 13 9  o 92.15871 18.50327 92.47070   32.90369 92.47070   32.90369 ?          ?        92.15871 18.50327 ?        ?        ?         ?        
1 1 1 28 13 10 o 38.07278 17.36189 -15.31723  29.49986 -15.31723  29.49986 ?          ?        38.07278 17.36189 ?        ?        ?         ?        
1 1 1 28 13 11 o 43.24747 18.38231 4.538440   27.79794 4.538440   27.79794 ?          ?        43.24747 18.38231 ?        ?        ?         ?        
1 1 1 28 13 12 o 54.69369 20.12251 30.06716   28.93255 30.06716   28.93255 ?          ?        54.69369 20.12251 ?        ?        ?         ?        
1 1 1 28 14 0  o 101.1251 24.62678 120.2687   43.11518 120.2687   43.11518 120.2687   43.11518 101.1251 24.62678 101.1251 24.62678 -0.000000 0.000000 
1 1 1 28 14 1  o 183.9162 12.95526 342.0849   47.65361 342.0849   47.65361 ?          ?        183.9162 12.95526 ?        ?        ?         ?        
1 1 1 28 14 2  o 124.7883 18.41186 159.4127   45.95170 159.4127   45.95170 ?          ?        124.7883 18.41186 ?        ?        ?         ?        
1 1 1 28 14 3  o 45.56458 19.78400 -3.971134  33.47099 -3.971134  33.47099 ?          ?        45.56458 19.78400 ?        ?        ?         ?        
1 1 1 28 14 4  o 257.5578 12.11447 670.5544   62.40355 670.5544   62.40355 ?          ?        257.5578 12.11447 ?        ?        ?         ?        
1 1 1 28 14 5  o 102.2913 16.63792 107.2206   34.03830 107.2206   34.03830 ?          ?        102.2913 16.63792 ?        ?        ?         ?        
1 1 1 28 14 6  o 113.2934 17.02515 132.7494   38.57674 132.7494   38.57674 ?          ?        113.2934 17.02515 ?        ?        ?         ?        
1 1 1 28 14 7  o 69.84592 22.12770 51.62476   34.60560 51.62476   34.60560 ?          ?        69.84592 22.12770 ?        ?        ?         ?        
1 1 1 28 14 8  o 104.0482 16.90222 112.8937   35.17290 112.8937   35.17290 ?          ?        104.0482 16.90222 ?        ?        ?         ?        
1 1 1 28 14 9  o 45.43245 19.10532 5.673049   29.49986 5.673049   29.49986 ?          ?        45.43245 19.10532 ?        ?        ?         ?        
1 1 1 28 14 10 o 86.43357 18.89794 83.39383   31.76908 83.39383   31.76908 ?          ?        86.43357 18.89794 ?        ?        ?         ?        
1 1 1 28 14 11 o 88.74538 16.26835 86.23035   27.79794 86.23035   27.79794 ?          ?        88.74538 16.26835 ?        ?        ?         ?        
1 1 1 28 14 12 f 85.30126 18.16495 82.82652   30.06716 82.82652   30.06716 ?          ?        85.30126 18.16495 ?        ?        ?         ?        
1 1 1 28 15 0  o 153.4350 15.05478 243.9411   45.38440 243.9411   45.38440 243.9411   45.38440 153.4350 15.05478 153.4350 15.05478 -0.000000 0.000000 
1 1 1 28 15 1  o 112.4074 18.42105 129.3455   41.41326 129.3455   41.41326 ?          ?        112.4074 18.42105 ?        ?        ?         ?        
1 1 1 28 15 2  o 221.4410 11.27227 494.6899   49.92284 494.6899   49.92284 ?          ?        221.4410 11.27227 ?        ?        ?         ?        
1 1 1 28 15 3  f 259.6027 12.67463 681.3333   65.80738 681.3333   65.80738 ?          ?        259.6027 12.67463 ?        ?        ?         ?        
1 1 1 28 15 4  o 144.9418 16.04748 214.4413   46.51900 214.4413   46.51900 ?          ?        144.9418 16.04748 ?        ?        ?         ?        
1 1 1 28 15 5  o 62.85297 24.09531 30.06716   42.54787 30.06716   42.54787 ?          ?        62.85297 24.09531 ?        ?        ?         ?        
1 1 1 28 15 6  o 116.6891 15.31429 140.1243   35.74022 140.1243   35.74022 ?          ?        116.6891 15.31429 ?        ?        ?         ?        
1 1 1 28 15 7  o 103.8617 22.22138 118.5667   44.81709 118.5667   44.81709 ?          ?        103.8617 22.22138 ?        ?        ?         ?        
1 1 1 28 15 8  o 164.4374 12.41991 276.8448   40.84595 276.8448   40.84595 ?          ?        164.4374 12.41991 ?        ?        ?         ?        
1 1 1 28 15 9  o 48.16659 20.21262 7.374964   32.90369 7.374964   32.90369 ?          ?        48.16659 20.21262 ?        ?        ?         ?        
1 1 1 28 15 10 o 58.23803 21.28818 32.90369   32.33638 32.90369   32.33638 ?          ?        58.23803 21.28818 ?        ?        ?         ?        
1 1 1 28 15 11 o 65.46349 21.03902 48.22092   31.20177 48.22092   31.20177 ?          ?        65.46349 21.03902 ?        ?        ?         ?        
1 1 1 28 15 12 o 146.8343 13.13615 227.4893   38.57674 227.4893   38.57674 ?          ?        146.8343 13.13615 ?        ?        ?         ?        
1 1 1 28 16 0  o 85.39286 33.02709 102.1149   53.32666 102.1149   53.32666 102.1149   53.32666 85.39286 33.02709 85.39286 33.02709 -0.000000 0.000000 
1 1 1 28 16 1  o 55.79964 23.34592 7.942269   43.68248 7.942269   43.68248 ?          ?        55.79964 23.34592 ?        ?        ?         ?        
1 1 1 28 16 2  o 155.5022 14.04562 245.0758   43.68248 245.0758   43.68248 ?          ?        155.5022 14.04562 ?        ?        ?         ?        
1 1 1 28 16 3  o 205.6138 12.96767 427.7480   53.32666 427.7480   53.32666 ?          ?        205.6138 12.96767 ?        ?        ?         ?        
1 1 1 28 16 4  o 155.1334 14.44469 245.0758   44.81709 245.0758   44.81709 ?          ?        155.1334 14.44469 ?        ?        ?         ?        
1 1 1 28 16 5  o 106.3835 20.19485 120.8360   41.41326 120.8360   41.41326 ?          ?        106.3835 20.19485 ?        ?        ?         ?        
1 1 1 28 16 6  o 140.9044 12.68243 202.5279   35.74022 202.5279   35.74022 ?          ?        140.9044 12.68243 ?        ?        ?         ?        
1 1 1 28 16 7  o 75.46240 28.53488 52.19205   58.99971 52.19205   58.99971 ?          ?        75.46240 28.53488 ?        ?        ?         ?        
1 1 1 28 16 8  f 65.02238 20.16805 45.38440   28.93255 45.38440   28.93255 ?          ?        65.02238 20.16805 ?        ?        ?         ?        
1 1 1 28 16 9  o 110.2368 14.40947 125.9417   31.76908 125.9417   31.76908 ?          ?        110.2368 14.40947 ?        ?        ?         ?        
1 1 1 28 16 10 o 83.00764 16.64764 75.45156   26.66333 75.45156   26.66333 ?          ?        83.00764 16.64764 ?        ?        ?         ?        
1 1 1 28 16 11 o 45.32272 19.37605 5.105744   31.20177 5.105744   31.20177 ?          ?        45.32272 19.37605 ?        ?        ?         ?        
1 1 1 28 16 12 o 41.20272 17.67071 3.403830   26.09603 3.403830   26.09603 ?          ?        41.20272 17.67071 ?        ?        ?         ?        
1 1 1 28 17 0  o 118.1212 24.81974 158.8454   51.62476 158.8454   51.62476 158.8454   51.62476 118.1212 24.81974 118.1212 24.81974 -0.000000 0.000000 
1 1 1 28 17 1  o 126.5049 15.91980 162.8165   40.27865 162.8165   40.27865 ?          ?        126.5049 15.91980 ?        ?        ?         ?        
1 1 1 28 17 2  o 147.0951 14.65555 219.5470   43.11518 219.5470   43.11518 ?          ?        147.0951 14.65555 ?        ?        ?         ?        
1 1 1 28 17 3  o 115.7090 18.38572 137.2878   42.54787 137.2878   42.54787 ?          ?        115.7090 18.38572 ?        ?        ?         ?        
1 1 1 28 17 4  o 117.1892 16.45917 140.6916   38.57674 140.6916   38.57674 ?          ?        117.1892 16.45917 ?        ?        ?         ?        
1 1 1 28 17 5  o 160.6128 13.42209 262.6622   43.11518 262.6622   43.11518 ?          ?        160.6128 13.42209 ?        ?        ?         ?        
1 1 1 28 17 6  o 112.5172 16.89050 131.0475   38.00943 131.0475   38.00943 ?          ?        112.5172 16.89050 ?        ?        ?         ?        
1 1 1 28 17 7  o 58.78772 24.79391 11.34610   49.92284 11.34610   49.92284 ?          ?        58.78772 24.79391 ?        ?        ?         ?        
1 1 1 28 17 8  o 64.15735 21.24926 43.11518   31.76908 43.11518   31.76908 ?          ?        64.15735 21.24926 ?        ?        ?         ?        
1 1 1 28 17 9  o 83.26231 19.12815 76.58617   31.20177 76.58617   31.20177 ?          ?        83.26231 19.12815 ?        ?        ?         ?        
1 1 1 28 17 10 o 89.82874 16.72821 88.49958   28.93255 88.49958   28.93255 ?          ?        89.82874 16.72821 ?        ?        ?         ?        
1 1 1 28 17 11 f 104.0803 14.44421 114.5956   30.06716 114.5956   30.06716 ?          ?        104.0803 14.44421 ?        ?        ?         ?        
1 1 1 28 17 12 o 36.96682 17.24109 -22.12490  31.20177 -22.12490  31.20177 ?          ?        36.96682 17.24109 ?        ?        ?         ?        
1 1 1 28 18 0  o 246.1163 14.74681 616.6605   72.04772 616.6605   72.04772 616.6605   72.04772 246.1163 14.74681 246.1163 14.74681 -0.000000 0.000000 
1 1 1 28 18 1  o 180.3578 9.593596 327.3350   34.60560 327.3350   34.60560 ?          ?        180.3578 9.593596 ?        ?        ?         ?        
1 1 1 28 18 2  o 60.40019 20.47633 35.17290   29.49986 35.17290   29.49986 ?          ?        60.40019 20.47633 ?        ?        ?         ?        
1 1 1 28 18 3  o 83.97665 23.43809 76.01886   40.84595 76.01886   40.84595 ?          ?        83.97665 23.43809 ?        ?        ?         ?        
1 1 1 28 18 4  o 204.8347 11.35525 424.3441   46.51900 424.3441   46.51900 ?          ?        204.8347 11.35525 ?        ?        ?         ?        
1 1 1 28 18 5  o 62.41475 21.60266 38.00943   32.90369 38.00943   32.90369 ?          ?        62.41475 21.60266 ?        ?        ?         ?        
1 1 1 28 18 6  o 243.9552 11.16215 604.1797   54.46128 604.1797   54.46128 ?          ?        243.9552 11.16215 ?        ?        ?         ?        
1 1 1 28 18 7  o 35.86605 17.08057 -39.14404  33.47099 -39.14404  33.47099 ?          ?        35.86605 17.08057 ?        ?        ?         ?        
1 1 1 28 18 8  o 166.9815 12.40056 285.9217   41.41326 285.9217   41.41326 ?          ?        166.9815 12.40056 ?        ?        ?         ?        
1 1 1 28 18 9  o 40.12484 18.30805 -17.58645  32.90369 -17.58645  32.90369 ?          ?        40.12484 18.30805 ?        ?        ?         ?        
1 1 1 28 18 10 o 120.2765 14.38586 152.6050   34.60560 152.6050   34.60560 ?          ?        120.2765 14.38586 ?        ?        ?         ?        
1 1 1 28 18 11 o 46.83501 19.46727 10.77879   30.06716 10.77879   30.06716 ?          ?        46.83501 19.46727 ?        ?        ?         ?        
1 1 1 28 18 12 o 72.89439 20.28266 62.40355   30.63447 62.40355   30.63447 ?          ?        72.89439 20.28266 ?        ?        ?         ?        
1 1 1 28 19 0  o 42.08801 27.02188 6.807660   49.92284 6.807660   49.92284 6.807660   49.92284 42.08801 27.02188 42.08801 27.02188 -0.000000 0.000000 
1 1 1 28 19 1  o 120.5552 12.47028 146.9320   30.06716 146.9320   30.06716 ?          ?        120.5552 12.47028 ?        ?        ?         ?        
1 1 1 28 19 2  o 142.8100 12.71183 206.4990   36.30752 206.4990   36.30752 ?          ?        142.8100 12.71183 ?        ?        ?         ?        
1 1 1 28 19 3  o 45.53440 19.69091 -2.269220  32.90369 -2.269220  32.90369 ?          ?        45.53440 19.69091 ?        ?        ?         ?        
1 1 1 28 19 4  o 114.0076 15.42569 132.7494   35.17290 132.7494   35.17290 ?          ?        114.0076 15.42569 ?        ?        ?         ?        
1 1 1 28 19 5  o 139.1142 14.47683 198.5567   40.27865 198.5567   40.27865 ?          ?        139.1142 14.47683 ?        ?        ?         ?        
1 1 1 28 19 6  o 143.6267 14.41698 211.6048   41.41326 211.6048   41.41326 ?          ?        143.6267 14.41698 ?        ?        ?         ?        
1 1 1 28 19 7  o 67.47404 22.35865 47.65361   35.17290 47.65361   35.17290 ?          ?        67.47404 22.35865 ?        ?        ?         ?        
1 1 1 28 19 8  o 180.4783 11.15886 332.4407   40.27865 332.4407   40.27865 ?          ?        180.4783 11.15886 ?        ?        ?         ?        
1 1 1 28 19 9  o 39.51850 18.20871 -20.99029  33.47099 -20.99029  33.47099 ?          ?        39.51850 18.20871 ?        ?        ?         ?        
1 1 1 28 19 10 o 98.54156 17.93424 107.7879   34.03830 107.7879   34.03830 ?          ?        98.54156 17.93424 ?        ?        ?         ?        
1 1 1 28 19 11 o 89.54406 17.08490 89.06688   29.49986 89.06688   29.49986 ?          ?        89.54406 17.08490 ?        ?        ?         ?        
1 1 1 28 19 12 o 59.70220 20.65180 39.71135   30.06716 39.71135   30.06716 ?          ?        59.70220 20.65180 ?        ?        ?         ?        
1 1 1 28 20 0  o 67.26222 33.85804 69.77851   55.59589 69.77851   55.59589 69.77851   55.59589 67.26222 33.85804 67.26222 33.85804 -0.000000 0.000000 
1 1 1 28 20 1  o 110.8656 14.07189 124.8071   31.20177 124.8071   31.20177 ?          ?        110.8656 14.07189 ?        ?        ?         ?        
1 1 1 28 20 2  o 49.27175 20.07159 10.77879   31.20177 10.77879   31.20177 ?          ?        49.27175 20.07159 ?        ?        ?         ?        
1 1 1 28 20 3  o 86.20540 20.36987 79.99000   34.60560 79.99000   34.60560 ?          ?        86.20540 20.36987 ?        ?        ?         ?        
1 1 1 28 20 4  o 132.9917 14.07687 180.4030   37.44213 180.4030   37.44213 ?          ?        132.9917 14.07687 ?        ?        ?         ?        
1 1 1 28 20 5  o 91.52609 19.48567 90.76879   34.60560 90.76879   34.60560 ?          ?        91.52609 19.48567 ?        ?        ?         ?        
1 1 1 28 20 6  o 80.31255 23.33919 70.91312   39.71135 70.91312   39.71135 ?          ?        80.31255 23.33919 ?        ?        ?         ?        
1 1 1 28 20 7  o 44.78455 19.44556 -1.701915  32.33638 -1.701915  32.33638 ?          ?        44.78455 19.44556 ?        ?        ?         ?        
1 1 1 28 20 8  o 120.9908 13.59760 150.9031   32.90369 150.9031   32.90369 ?          ?        120.9908 13.59760 ?        ?        ?         ?        
1 1 1 28 20 9  o 72.18729 21.77303 58.99971   34.03830 58.99971   34.03830 ?          ?        72.18729 21.77303 ?        ?        ?         ?        
1 1 1 28 20 10 f 48.73608 20.41585 10.21149   33.47099 10.21149   33.47099 ?          ?        48.73608 20.41585 ?        ?        ?         ?        
1 1 1 28 20 11 o 44.70049 19.85980 -4.538440  35.74022 -4.538440  35.74022 ?          ?        44.70049 19.85980 ?        ?        ?         ?        
1 1 1 28 20 12 o 117.5190 13.03384 146.3647   30.63447 146.3647   30.63447 ?          ?        117.5190 13.03384 ?        ?        ?         ?        
1 1 1 28 21 0  o 212.4338 14.28506 461.2190   60.13433 461.2190   60.13433 461.2190   60.13433 212.4338 14.28506 212.4338 14.28506 -0.000000 0.000000 
1 1 1 28 21 1  o 99.99033 15.60240 102.1149   31.20177 102.1149   31.20177 ?          ?        99.99033 15.60240 ?        ?        ?         ?        
1 1 1 28 21 2  o 39.02822 17.72511 -16.45185  30.06716 -16.45185  30.06716 ?          ?        39.02822 17.72511 ?        ?        ?         ?        
1 1 1 28 21 3  o 49.54175 20.94051 3.971134   35.74022 3.971134   35.74022 ?          ?        49.54175 20.94051 ?        ?        ?         ?        
1 1 1 28 21 4  o 130.1993 13.28947 173.0280   34.60560 173.0280   34.60560 ?          ?        130.1993 13.28947 ?        ?        ?         ?        
1 1 1 28 21 5  o 90.94621 20.72725 90.20149   36.87482 90.20149   36.87482 ?          ?        90.94621 20.72725 ?        ?        ?         ?        
1 1 1 28 21 6  o 55.45817 21.48427 23.25950   34.03830 23.25950   34.03830 ?          ?        55.45817 21.48427 ?        ?        ?         ?        
1 1 1 28 21 7  f 55.11679 23.45950 7.374964   45.38440 7.374964   45.38440 ?          ?        55.11679 23.45950 ?        ?        ?         ?        
1 1 1 28 21 8  o 81.70486 22.29719 74.88425   37.44213 74.88425   37.44213 ?          ?        81.70486 22.29719 ?        ?        ?         ?        
1 1 1 28 21 9  o 42.35319 18.78209 -6.240355  31.76908 -6.240355  31.76908 ?          ?        42.35319 18.78209 ?        ?        ?         ?        
1 1 1 28 21 10 o 42.88482 18.99216 -5.105744  32.33638 -5.105744  32.33638 ?          ?        42.88482 18.99216 ?        ?        ?         ?        
1 1 1 28 21 11 o 49.76744 19.80624 19.28837   29.49986 19.28837   29.49986 ?          ?        49.76744 19.80624 ?        ?        ?         ?        
1 1 1 28 21 12 o 40.28160 17.82010 -2.836525  28.36525 -2.836525  28.36525 ?          ?        40.28160 17.82010 ?        ?        ?         ?        
1 1 1 28 22 0  o 39.98463 25.64620 6.807660   44.81709 6.807660   44.81709 6.807660   44.81709 39.98463 25.64620 39.98463 25.64620 -0.000000 0.000000 
1 1 1 28 22 1  o 41.07597 18.23676 -9.644185  30.06716 -9.644185  30.06716 ?          ?        41.07597 18.23676 ?        ?        ?         ?        
1 1 1 28 22 2  o 197.6202 9.616787 393.7097   38.00943 393.7097   38.00943 ?          ?        197.6202 9.616787 ?        ?        ?         ?        
1 1 1 28 22 3  o 116.3338 15.11723 138.4224   35.17290 138.4224   35.17290 ?          ?        116.3338 15.11723 ?        ?        ?         ?        
1 1 1 28 22 4  f 101.9496 14.46786 106.6533   29.49986 106.6533   29.49986 ?          ?        101.9496 14.46786 ?        ?        ?         ?        
1 1 1 28 22 5  o 40.55539 19.28722 -48.78823  42.54787 -48.78823  42.54787 ?          ?        40.55539 19.28722 ?        ?        ?         ?        
1 1 1 28 22 6  o 244.7625 9.502887 607.0163   46.51900 607.0163   46.51900 ?          ?        244.7625 9.502887 ?        ?        ?         ?        
1 1 1 28 22 7  o 83.73416 20.46913 77.72078   34.03830 77.72078   34.03830 ?          ?        83.73416 20.46913 ?        ?        ?         ?        
1 1 1 28 22 8  o 186.4373 11.41077 355.7002   42.54787 355.7002   42.54787 ?          ?        186.4373 11.41077 ?        ?        ?         ?        
1 1 1 28 22 9  o 60.74593 21.71178 37.44213   33.47099 37.44213   33.47099 ?          ?        60.74593 21.71178 ?        ?        ?         ?        
1 1 1 28 22 10 o 84.02602 19.00887 79.99000   31.20177 79.99000   31.20177 ?          ?        84.02602 19.00887 ?        ?        ?         ?        
1 1 1 28 22 11 o 62.72184 21.43816 44.24979   32.33638 44.24979   32.33638 ?          ?        62.72184 21.43816 ?        ?        ?         ?        
1 1 1 28 23 0  o 34.06620 22.67315 -6.807660  39.71135 -6.807660  39.71135 -6.807660  39.71135 34.06620 22.67315 34.06620 22.67315 -0.000000 0.000000 
1 1 1 28 23 1  o 115.5517 11.29192 135.0186   26.09603 135.0186   26.09603 ?          ?        115.5517 11.29192 ?        ?        ?         ?        
1 1 1 28 23 2  o 106.5852 14.10476 115.7302   30.06716 115.7302   30.06716 ?          ?        106.5852 14.10476 ?        ?        ?         ?        
1 1 1 28 23 3  o 119.0798 13.10120 144.6628   31.20177 144.6628   31.20177 ?          ?        119.0798 13.10120 ?        ?        ?         ?        
1 1 1 28 23 4  o 40.58393 18.03538 -9.076880  29.49986 -9.076880  29.49986 ?          ?        40.58393 18.03538 ?        ?        ?         ?        
1 1 1 28 23 5  o 55.43657 20.49559 26.66333   30.06716 26.66333   30.06716 ?          ?        55.43657 20.49559 ?        ?        ?         ?        
1 1 1 28 23 6  o 45.54004 18.91735 7.374964   28.36525 7.374964   28.36525 ?          ?        45.54004 18.91735 ?        ?        ?         ?        
1 1 1 28 23 7  o 51.22313 20.60206 15.88454   32.33638 15.88454   32.33638 ?          ?        51.22313 20.60206 ?        ?        ?         ?        
1 1 1 28 23 8  o 36.60492 16.82345 -18.15376  28.36525 -18.15376  28.36525 ?          ?        36.60492 16.82345 ?        ?        ?         ?        
1 1 1 28 23 9  o 37.80418 17.54072 -22.12490  31.76908 -22.12490  31.76908 ?          ?        37.80418 17.54072 ?        ?        ?         ?        
1 1 1 28 23 10 f 75.63587 19.95872 65.80738   30.63447 65.80738   30.63447 ?          ?        75.63587 19.95872 ?        ?        ?         ?        
1 1 1 28 23 11 o 40.95710 18.44030 -8.509575  31.76908 -8.509575  31.76908 ?          ?        40.95710 18.44030 ?        ?        ?         ?        
1 1 1 28 24 0  o 132.0796 17.67624 186.0760   45.38440 186.0760   45.38440 186.0760   45.38440 132.0796 17.67624 132.0796 17.67624 -0.000000 0.000000 
1 1 1 28 24 1  o 59.90044 19.46699 36.30752   26.66333 36.30752   26.66333 ?          ?        59.90044 19.46699 ?        ?        ?         ?        
1 1 1 28 24 2  o 114.8554 13.08914 134.4513   30.06716 134.4513   30.06716 ?          ?        114.8554 13.08914 ?        ?        ?         ?        
1 1 1 28 24 3  o 212.8766 9.060822 457.8151   38.57674 457.8151   38.57674 ?          ?        212.8766 9.060822 ?        ?        ?         ?        
1 1 1 28 24 4  o 55.77969 20.67493 26.66333   30.63447 26.66333   30.63447 ?          ?        55.77969 20.67493 ?        ?        ?         ?        
1 1 1 28 24 5  o 71.09572 19.68798 55.02858   28.93255 55.02858   28.93255 ?          ?        71.09572 19.68798 ?        ?        ?         ?        
1 1 1 28 24 6  o 27.42441 13.68260 -78.85539  30.63447 -78.85539  30.63447 ?          ?        27.42441 13.68260 ?        ?        ?         ?        
1 1 1 28 24 7  o 79.36835 20.29114 69.77851   32.33638 69.77851   32.33638 ?          ?        79.36835 20.29114 ?        ?        ?         ?        
1 1 1 28 24 8  o 73.58710 22.33390 61.26894   35.74022 61.26894   35.74022 ?          ?        73.58710 22.33390 ?        ?        ?         ?        
1 1 1 28 24 9  o 57.77162 21.97720 31.20177   35.17290 31.20177   35.17290 ?          ?        57.77162 21.97720 ?        ?        ?         ?        
1 1 1 28 24 10 o 33.69262 16.31247 -49.35553  34.03830 -49.35553  34.03830 ?          ?        33.69262 16.31247 ?        ?        ?         ?        
1 1 1 28 24 11 o 63.96553 21.62541 46.51900   32.90369 46.51900   32.90369 ?          ?        63.96553 21.62541 ?        ?        ?         ?        
1 1 1 28 25 0  o 25.36316 18.36362 -69.77851  44.24979 -69.77851  44.24979 -69.77851  44.24979 25.36316 18.36362 25.36316 18.36362 -0.000000 0.000000 
1 1 1 28 25 1  o 35.20519 16.70638 -36.87482  31.76908 -36.87482  31.76908 ?          ?        35.20519 16.70638 ?        ?        ?         ?        
1 1 1 28 25 2  o 38.63890 17.40898 -12.48071  28.36525 -12.48071  28.36525 ?          ?        38.63890 17.40898 ?        ?        ?         ?        
1 1 1 28 25 3  o 143.9632 11.23078 210.4701   32.33638 210.4701   32.33638 ?          ?        143.9632 11.23078 ?        ?        ?         ?        
1 1 1 28 25 4  o 112.3056 12.88117 128.7782   28.93255 128.7782   28.93255 ?          ?        112.3056 12.88117 ?        ?        ?         ?        
1 1 1 28 25 5  o 75.66759 18.49827 62.40355   27.79794 62.40355   27.79794 ?          ?        75.66759 18.49827 ?        ?        ?         ?        
1 1 1 28 25 6  o 109.1419 13.25456 122.5379   28.93255 122.5379   28.93255 ?          ?        109.1419 13.25456 ?        ?        ?         ?        
1 1 1 28 25 7  o 45.22626 18.75339 7.942269   27.79794 7.942269   27.79794 ?          ?        45.22626 18.75339 ?        ?        ?         ?        
1 1 1 28 25 8  o 97.16121 17.89527 103.8168   33.47099 103.8168   33.47099 ?          ?        97.16121 17.89527 ?        ?        ?         ?        
1 1 1 28 25 9  o 47.98071 20.17722 9.076880   32.90369 9.076880   32.90369 ?          ?        47.98071 20.17722 ?        ?        ?         ?        
1 1 1 28 25 10 o 67.78626 20.92764 52.75936   31.20177 52.75936   31.20177 ?          ?        67.78626 20.92764 ?        ?        ?         ?        
1 1 1 28 25 11 o 54.86982 21.15066 28.36525   32.90369 28.36525   32.90369 ?          ?        54.86982 21.15066 ?        ?        ?         ?        
1 1 1 28 26 0  o 67.11640 29.60257 67.50929   41.41326 67.50929   41.41326 67.50929   41.41326 67.11640 29.60257 67.11640 29.60257 -0.000000 0.000000 
1 1 1 28 26 1  o 141.8404 10.99890 204.2298   31.20177 204.2298   31.20177 ?          ?        141.8404 10.99890 ?        ?        ?         ?        
1 1 1 28 26 2  o 154.1544 9.936292 240.5373   30.63447 240.5373   30.63447 ?          ?        154.1544 9.936292 ?        ?        ?         ?        
1 1 1 28 26 3  o 100.2997 13.00902 102.6822   26.09603 102.6822   26.09603 ?          ?        100.2997 13.00902 ?        ?        ?         ?        
1 1 1 28 26 4  o 123.6835 11.92555 156.0089   29.49986 156.0089   29.49986 ?          ?        123.6835 11.92555 ?        ?        ?         ?        
1 1 1 28 26 5  o 60.36559 19.45364 38.00943   26.66333 38.00943   26.66333 ?          ?        60.36559 19.45364 ?        ?        ?         ?        
1 1 1 28 26 6  o 176.9107 10.10120 318.2581   35.74022 318.2581   35.74022 ?          ?        176.9107 10.10120 ?        ?        ?         ?        
1 1 1 28 26 7  o 84.64651 17.01857 77.72078   27.79794 77.72078   27.79794 ?          ?        84.64651 17.01857 ?        ?        ?         ?        
1 1 1 28 26 8  o 62.31985 21.05871 41.41326   31.20177 41.41326   31.20177 ?          ?        62.31985 21.05871 ?        ?        ?         ?        
1 1 1 28 26 9  o 42.33509 18.29465 1.134610   28.36525 1.134610   28.36525 ?          ?        42.33509 18.29465 ?        ?        ?         ?        
1 1 1 28 26 10 o 54.78213 22.31743 22.12490   38.57674 22.12490   38.57674 ?          ?        54.78213 22.31743 ?        ?        ?         ?        
1 1 1 28 26 11 o 59.75138 21.00220 39.71135   31.20177 39.71135   31.20177 ?          ?        59.75138 21.00220 ?        ?        ?         ?        
1 1 1 28 27 0  o 39.81377 24.83799 13.61532   39.14404 13.61532   39.14404 13.61532   39.14404 39.81377 24.83799 39.81377 24.83799 -0.000000 0.000000 
1 1 1 28 27 1  o 29.19519 14.35765 -57.29780  28.93255 -57.29780  28.93255 ?          ?        29.19519 14.35765 ?        ?        ?         ?        
1 1 1 28 27 2  o 31.88007 15.35312 -41.98057  28.93255 -41.98057  28.93255 ?          ?        31.88007 15.35312 ?        ?        ?         ?        
1 1 1 28 27 3  o 92.97728 17.42311 92.47070   31.20177 92.47070   31.20177 ?          ?        92.97728 17.42311 ?        ?        ?         ?        
1 1 1 28 27 4  o 121.0314 11.24941 149.2012   27.23064 149.2012   27.23064 ?          ?        121.0314 11.24941 ?        ?        ?         ?        
1 1 1 28 27 5  o 33.37366 15.69919 -27.79794  27.23064 -27.79794  27.23064 ?          ?        33.37366 15.69919 ?        ?        ?         ?        
1 1 1 28 27 6  o 58.46292 19.87689 34.60560   27.79794 34.60560   27.79794 ?          ?        58.46292 19.87689 ?        ?        ?         ?        
1 1 1 28 27 7  o 74.29042 17.45792 60.70163   25.52872 60.70163   25.52872 ?          ?        74.29042 17.45792 ?        ?        ?         ?        
1 1 1 28 27 8  o 79.34168 17.28331 69.77851   26.66333 69.77851   26.66333 ?          ?        79.34168 17.28331 ?        ?        ?         ?        
1 1 1 28 27 9  o 55.80412 19.04831 32.90369   25.52872 32.90369   25.52872 ?          ?        55.80412 19.04831 ?        ?        ?         ?        
1 1 1 28 27 10 o 43.30677 19.59399 -10.21149  36.30752 -10.21149  36.30752 ?          ?        43.30677 19.59399 ?        ?        ?         ?        
1 1 1 28 27 11 o 84.64640 21.14973 85.66305   35.74022 85.66305   35.74022 ?          ?        84.64640 21.14973 ?        ?        ?         ?        
1 1 1 28 28 0  o 278.7424 11.64475 787.4193   64.67276 787.4193   64.67276 787.4193   64.67276 278.7424 11.64475 278.7424 11.64475 -0.000000 0.000000 
1 1 1 28 28 1  o 38.54311 17.51871 -15.88454  29.49986 -15.88454  29.49986 ?          ?        38.54311 17.51871 ?        ?        ?         ?        
1 1 1 28 28 2  o 30.50232 14.84708 -49.35553  28.93255 -49.35553  28.93255 ?          ?        30.50232 14.84708 ?        ?        ?         ?        
1 1 1 28 28 3  o 88.60358 19.41910 85.66305   33.47099 85.66305   33.47099 ?          ?        88.60358 19.41910 ?        ?        ?         ?        
1 1 1 28 28 4  o 53.44082 19.53530 25.52872   27.23064 25.52872   27.23064 ?          ?        53.44082 19.53530 ?        ?        ?         ?        
1 1 1 28 28 5  o 66.18449 19.08905 47.65361   26.66333 47.65361   26.66333 ?          ?        66.18449 19.08905 ?        ?        ?         ?        
1 1 1 28 28 6  o 84.88789 15.62181 77.15348   25.52872 77.15348   25.52872 ?          ?        84.88789 15.62181 ?        ?        ?         ?        
1 1 1 28 28 7  o 93.36840 14.58236 91.33610   27.23064 91.33610   27.23064 ?          ?        93.36840 14.58236 ?        ?        ?         ?        
1 1 1 28 28 8  o 45.21946 20.19985 -7.374964  37.44213 -7.374964  37.44213 ?          ?        45.21946 20.19985 ?        ?        ?         ?        
1 1 1 28 28 9  o 68.87222 21.75607 54.46128   33.47099 54.46128   33.47099 ?          ?        68.87222 21.75607 ?        ?        ?         ?        
1 1 1 28 28 10 o 76.42668 18.38327 66.94199   27.79794 66.94199   27.79794 ?          ?        76.42668 18.38327 ?        ?        ?         ?        
1 1 1 28 29 0  o 125.0557 15.69924 160.5473   39.71135 160.5473   39.71135 160.5473   39.71135 125.0557 15.69924 125.0557 15.69924 -0.000000 0.000000 
1 1 1 28 29 1  f 124.5482 11.15951 157.7108   27.79794 157.7108   27.79794 ?          ?        124.5482 11.15951 ?        ?        ?         ?        
1 1 1 28 29 2  o 236.5839 8.152867 565.0358   38.57674 565.0358   38.57674 ?          ?        236.5839 8.152867 ?        ?        ?         ?        
1 1 1 28 29 3  o 99.16974 14.87342 101.5476   29.49986 101.5476   29.49986 ?          ?        99.16974 14.87342 ?        ?        ?         ?        
1 1 1 28 29 4  o 76.79951 18.93215 64.67276   28.93255 64.67276   28.93255 ?          ?        76.79951 18.93215 ?        ?        ?         ?        
1 1 1 28 29 5  o 99.45680 13.97488 102.1149   27.79794 102.1149   27.79794 ?          ?        99.45680 13.97488 ?        ?        ?         ?        
1 1 1 28 29 6  o 84.24776 18.03106 77.72078   29.49986 77.72078   29.49986 ?          ?        84.24776 18.03106 ?        ?        ?         ?        
1 1 1 28 29 7  o 48.96637 19.16519 18.15376   27.23064 18.15376   27.23064 ?          ?        48.96637 19.16519 ?        ?        ?         ?        
1 1 1 28 29 8  o 55.54361 22.01454 24.39412   36.30752 24.39412   36.30752 ?          ?        55.54361 22.01454 ?        ?        ?         ?        
1 1 1 28 29 9  o 84.69262 19.19556 81.69191   31.76908 81.69191   31.76908 ?          ?        84.69262 19.19556 ?        ?        ?         ?        
1 1 1 28 29 10 o 49.22293 19.94690 17.01915   30.63447 17.01915   30.63447 ?          ?        49.22293 19.94690 ?        ?        ?         ?        
1 1 1 28 30 0  o 347.2909 12.86156 1225.379   89.06688 1225.379   89.06688 1225.379   89.06688 347.2909 12.86156 347.2909 12.86156 -0.000000 0.000000 
1 1 1 28 30 1  o 107.0061 13.25404 117.4321   28.36525 117.4321   28.36525 ?          ?        107.0061 13.25404 ?        ?        ?         ?        
1 1 1 28 30 2  o 51.64216 19.70962 20.99029   28.36525 20.99029   28.36525 ?          ?        51.64216 19.70962 ?        ?        ?         ?        
1 1 1 28 30 3  o 74.21977 18.41032 60.13433   27.23064 60.13433   27.23064 ?          ?        74.21977 18.41032 ?        ?        ?         ?        
1 1 1 28 30 4  o 150.6718 10.16596 230.8931   30.63447 230.8931   30.63447 ?          ?        150.6718 10.16596 ?        ?        ?         ?        
1 1 1 28 30 5  o 30.86159 14.90701 -41.41326  27.79794 -41.41326  27.79794 ?          ?        30.86159 14.90701 ?        ?        ?         ?        
1 1 1 28 30 6  o 54.09450 19.55863 27.79794   27.23064 27.79794   27.23064 ?          ?        54.09450 19.55863 ?        ?        ?         ?        
1 1 1 28 30 7  o 78.63574 16.73240 68.07660   25.52872 68.07660   25.52872 ?          ?        78.63574 16.73240 ?        ?        ?         ?        
1 1 1 28 30 8  o 117.4013 12.08047 142.9609   28.36525 142.9609   28.36525 ?          ?        117.4013 12.08047 ?        ?        ?         ?        
1 1 1 28 30 9  o 106.1674 11.75569 117.4321   24.96142 117.4321   24.96142 ?          ?        106.1674 11.75569 ?        ?        ?         ?        
1 1 1 28 30 10 o 96.87090 15.51919 101.5476   30.06716 101.5476   30.06716 ?          ?        96.87090 15.51919 ?        ?        ?         ?        
1 1 1 28 31 0  o 172.8751 13.79028 308.6139   47.08631 308.6139   47.08631 308.6139   47.08631 172.8751 13.79028 172.8751 13.79028 -0.000000 0.000000 
1 1 1 28 31 1  o 59.82933 19.67301 36.87482   27.23064 36.87482   27.23064 ?          ?        59.82933 19.67301 ?        ?        ?         ?        
1 1 1 28 31 2  f 104.2036 12.52166 111.1918   26.09603 111.1918   26.09603 ?          ?        104.2036 12.52166 ?        ?        ?         ?        
1 1 1 28 31 3  o 35.18585 16.50360 -27.79794  29.49986 -27.79794  29.49986 ?          ?        35.18585 16.50360 ?        ?        ?         ?        
1 1 1 28 31 4  o 32.50553 15.19301 -21.55759  24.39412 -21.55759  24.39412 ?          ?        32.50553 15.19301 ?        ?        ?         ?        
1 1 1 28 31 5  o 112.5891 12.84874 130.4801   28.93255 130.4801   28.93255 ?          ?        112.5891 12.84874 ?        ?        ?         ?        
1 1 1 28 31 6  o 39.27608 17.25914 -3.403830  26.09603 -3.403830  26.09603 ?          ?        39.27608 17.25914 ?        ?        ?         ?        
1 1 1 28 31 7  o 57.73884 18.60745 36.30752   24.39412 36.30752   24.39412 ?          ?        57.73884 18.60745 ?        ?        ?         ?        
1 1 1 28 31 8  f 142.6199 9.745465 208.7682   27.79794 208.7682   27.79794 ?          ?        142.6199 9.745465 ?        ?        ?         ?        
1 1 1 28 31 9  o 52.31163 19.12384 27.23064   26.09603 27.23064   26.09603 ?          ?        52.31163 19.12384 ?        ?        ?         ?        
1 1 1 28 31 10 o 159.8543 9.581999 263.7968   30.63447 263.7968   30.63447 ?          ?        159.8543 9.581999 ?        ?        ?         ?        
1 1 1 28 32 0  o 132.4785 17.38965 188.3452   44.81709 188.3452   44.81709 188.3452   44.81709 132.4785 17.38965 132.4785 17.38965 -0.000000 0.000000 
1 1 1 28 32 1  o 105.4033 12.91736 114.0283   27.23064 114.0283   27.23064 ?          ?        105.4033 12.91736 ?        ?        ?         ?        
1 1 1 28 32 2  o 59.60760 20.07868 36.30752   28.36525 36.30752   28.36525 ?          ?        59.60760 20.07868 ?        ?        ?         ?        
1 1 1 28 32 3  o 150.3855 9.808081 229.7585   29.49986 229.7585   29.49986 ?          ?        150.3855 9.808081 ?        ?        ?         ?        
1 1 1 28 32 4  o 78.13776 17.16510 66.37468   26.09603 66.37468   26.09603 ?          ?        78.13776 17.16510 ?        ?        ?         ?        
1 1 1 28 32 5  f 55.17121 19.41249 30.06716   26.66333 30.06716   26.66333 ?          ?        55.17121 19.41249 ?        ?        ?         ?        
1 1 1 28 32 6  o 47.66041 19.00986 15.31723   27.23064 15.31723   27.23064 ?          ?        47.66041 19.00986 ?        ?        ?         ?        
1 1 1 28 32 7  o 63.06635 19.07286 44.24979   26.09603 44.24979   26.09603 ?          ?        63.06635 19.07286 ?        ?        ?         ?        
1 1 1 28 32 8  o 56.45224 20.00628 32.90369   28.36525 32.90369   28.36525 ?          ?        56.45224 20.00628 ?        ?        ?         ?        
1 1 1 28 32 9  o 120.0437 11.10568 149.7685   26.66333 149.7685   26.66333 ?          ?        120.0437 11.10568 ?        ?        ?         ?        
1 1 1 28 32 10 o 53.16470 19.34086 28.93255   26.66333 28.93255   26.66333 ?          ?        53.16470 19.34086 ?        ?        ?         ?        
1 1 1 28 33 0  o 41.88651 25.93481 17.58645   41.98057 17.58645   41.98057 17.58645   41.98057 41.88651 25.93481 41.88651 25.93481 -0.000000 0.000000 
1 1 1 28 33 1  o 115.0058 12.33209 135.5859   28.36525 135.5859   28.36525 ?          ?        115.0058 12.33209 ?        ?        ?         ?        
1 1 1 28 33 2  o 45.85378 18.72689 10.21149   27.23064 10.21149   27.23064 ?          ?        45.85378 18.72689 ?        ?        ?         ?        
1 1 1 28 33 3  o 97.06268 14.61182 97.57646   28.36525 97.57646   28.36525 ?          ?        97.06268 14.61182 ?        ?        ?         ?        
1 1 1 28 33 4  o 48.85830 19.29492 16.45185   27.79794 16.45185   27.79794 ?          ?        48.85830 19.29492 ?        ?        ?         ?        
1 1 1 28 33 5  o 75.49410 17.27387 62.97085   25.52872 62.97085   25.52872 ?          ?        75.49410 17.27387 ?        ?        ?         ?        
1 1 1 28 33 6  o 116.6337 11.67357 140.6916   27.23064 140.6916   27.23064 ?          ?        116.6337 11.67357 ?        ?        ?         ?        
1 1 1 28 33 7  o 50.86764 19.48314 22.12490   27.79794 22.12490   27.79794 ?          ?        50.86764 19.48314 ?        ?        ?         ?        
1 1 1 28 33 8  o 56.85539 18.83545 35.17290   24.96142 35.17290   24.96142 ?          ?        56.85539 18.83545 ?        ?        ?         ?        
1 1 1 28 33 9  o 98.57247 13.23698 102.6822   26.09603 102.6822   26.09603 ?          ?        98.57247 13.23698 ?        ?        ?         ?        
1 1 1 28 34 0  o 229.2501 11.69524 535.5359   53.32666 535.5359   53.32666 535.5359   53.32666 229.2501 11.69524 229.2501 11.69524 -0.000000 0.000000 
1 1 1 28 34 1  o 40.53754 17.81326 -4.538440  27.79794 -4.538440  27.79794 ?          ?        40.53754 17.81326 ?        ?        ?         ?        
1 1 1 28 34 2  o 113.3609 12.01059 131.6148   27.23064 131.6148   27.23064 ?          ?        113.3609 12.01059 ?        ?        ?         ?        
1 1 1 28 34 3  o 128.6467 11.02447 169.0569   28.36525 169.0569   28.36525 ?          ?        128.6467 11.02447 ?        ?        ?         ?        
1 1 1 28 34 4  o 41.01472 17.82712 -1.134610  27.23064 -1.134610  27.23064 ?          ?        41.01472 17.82712 ?        ?        ?         ?        
1 1 1 28 34 5  o 87.46213 14.26984 79.99000   24.96142 79.99000   24.96142 ?          ?        87.46213 14.26984 ?        ?        ?         ?        
1 1 1 28 34 6  o 59.58900 19.67300 38.57674   27.23064 38.57674   27.23064 ?          ?        59.58900 19.67300 ?        ?        ?         ?        
1 1 1 28 34 7  o 46.23809 18.13093 16.45185   24.39412 16.45185   24.39412 ?          ?        46.23809 18.13093 ?        ?        ?         ?        
1 1 1 28 34 8  o 40.33249 17.58609 0.000000   26.66333 0.000000   26.66333 ?          ?        40.33249 17.58609 ?        ?        ?         ?        
1 1 1 28 34 9  o 86.68977 17.29993 85.09574   28.93255 85.09574   28.93255 ?          ?        86.68977 17.29993 ?        ?        ?         ?        
1 1 1 28 35 0  o 134.9840 15.92353 193.4510   41.98057 193.4510   41.98057 193.4510   41.98057 134.9840 15.92353 134.9840 15.92353 -0.000000 0.000000 
1 1 1 28 35 1  o 100.6037 13.53361 104.3841   27.23064 104.3841   27.23064 ?          ?        100.6037 13.53361 ?        ?        ?         ?        
1 1 1 28 35 2  o 170.6208 8.644862 294.9986   29.49986 294.9986   29.49986 ?          ?        170.6208 8.644862 ?        ?        ?         ?        
1 1 1 28 35 3  o 68.26399 19.42752 51.62476   27.79794 51.62476   27.79794 ?          ?        68.26399 19.42752 ?        ?        ?         ?        
1 1 1 28 35 4  o 30.86317 14.87106 -38.00943  27.23064 -38.00943  27.23064 ?          ?        30.86317 14.87106 ?        ?        ?         ?        
1 1 1 28 35 5  o 76.79599 17.70939 65.80738   26.66333 65.80738   26.66333 ?          ?        76.79599 17.70939 ?        ?        ?         ?        
1 1 1 28 35 6  o 71.75639 18.47304 57.86510   26.66333 57.86510   26.66333 ?          ?        71.75639 18.47304 ?        ?        ?         ?        
1 1 1 28 35 7  o 28.01049 13.69334 -44.81709  25.52872 -44.81709  25.52872 ?          ?        28.01049 13.69334 ?        ?        ?         ?        
1 1 1 28 35 8  o 77.21326 16.63907 66.94199   24.96142 66.94199   24.96142 ?          ?        77.21326 16.63907 ?        ?        ?         ?        
1 1 1 28 35 9  o 37.10241 16.38343 -2.836525  23.82681 -2.836525  23.82681 ?          ?        37.10241 16.38343 ?        ?        ?         ?        
1 1 1 28 36 0  o 28.38919 19.78441 -28.36525  38.57674 -28.36525  38.57674 -28.36525  38.57674 28.38919 19.78441 28.38919 19.78441 -0.000000 0.000000 
1 1 1 28 36 1  o 105.3301 13.19563 114.5956   27.79794 114.5956   27.79794 ?          ?        105.3301 13.19563 ?        ?        ?         ?        
1 1 1 28 36 2  o 59.13423 20.07869 36.30752   28.36525 36.30752   28.36525 ?          ?        59.13423 20.07869 ?        ?        ?         ?        
1 1 1 28 36 3  o 50.66364 19.17529 22.12490   26.66333 22.12490   26.66333 ?          ?        50.66364 19.17529 ?        ?        ?         ?        
1 1 1 28 36 4  o 134.5660 10.32874 185.5087   27.79794 185.5087   27.79794 ?          ?        134.5660 10.32874 ?        ?        ?         ?        
1 1 1 28 36 5  o 28.59439 13.92365 -41.98057  25.52872 -41.98057  25.52872 ?          ?        28.59439 13.92365 ?        ?        ?         ?        
1 1 1 28 36 6  o 51.77907 19.10401 25.52872   26.09603 25.52872   26.09603 ?          ?        51.77907 19.10401 ?        ?        ?         ?        
1 1 1 28 36 7  o 47.49465 18.85252 17.01915   26.66333 17.01915   26.66333 ?          ?        47.49465 18.85252 ?        ?        ?         ?        
1 1 1 28 36 8  o 36.88301 16.48404 -6.240355  24.96142 -6.240355  24.96142 ?          ?        36.88301 16.48404 ?        ?        ?         ?        
1 1 1 28 37 0  o 78.74402 28.10022 86.23035   40.27865 86.23035   40.27865 86.23035   40.27865 78.74402 28.10022 78.74402 28.10022 -0.000000 0.000000 
1 1 1 28 37 1  o 125.6993 11.73430 162.8165   29.49986 162.8165   29.49986 ?          ?        125.6993 11.73430 ?        ?        ?         ?        
1 1 1 28 37 2  o 149.3033 9.499202 227.4893   28.36525 227.4893   28.36525 ?          ?        149.3033 9.499202 ?        ?        ?         ?        
1 1 1 28 37 3  o 78.01457 16.84044 66.94199   25.52872 66.94199   25.52872 ?          ?        78.01457 16.84044 ?        ?        ?         ?        
1 1 1 28 37 4  o 42.22706 17.87332 5.105744   26.09603 5.105744   26.09603 ?          ?        42.22706 17.87332 ?        ?        ?         ?        
1 1 1 28 37 5  o 45.71240 18.33866 13.61532   25.52872 13.61532   25.52872 ?          ?        45.71240 18.33866 ?        ?        ?         ?        
1 1 1 28 37 6  o 63.18963 19.80272 44.81709   27.79794 44.81709   27.79794 ?          ?        63.18963 19.80272 ?        ?        ?         ?        
1 1 1 28 37 7  o 63.07737 18.82198 45.38440   25.52872 45.38440   25.52872 ?          ?        63.07737 18.82198 ?        ?        ?         ?        
1 1 1 28 37 8  o 105.2007 12.67260 116.8648   26.66333 116.8648   26.66333 ?          ?        105.2007 12.67260 ?        ?        ?         ?        
1 1 1 28 38 0  o 39.73186 24.87661 14.74993   39.71135 14.74993   39.71135 14.74993   39.71135 39.73186 24.87661 39.73186 24.87661 -0.000000 0.000000 
1 1 1 28 38 1  o 71.53119 19.07503 57.29780   27.79794 57.29780   27.79794 ?          ?        71.53119 19.07503 ?        ?        ?         ?        
1 1 1 28 38 2  o 92.40639 14.73418 89.63419   27.23064 89.63419   27.23064 ?          ?        92.40639 14.73418 ?        ?        ?         ?        
1 1 1 28 38 3  o 101.5511 13.12804 107.7879   26.66333 107.7879   26.66333 ?          ?        101.5511 13.12804 ?        ?        ?         ?        
1 1 1 28 38 4  o 26.99900 13.35192 -57.29780  26.66333 -57.29780  26.66333 ?          ?        26.99900 13.35192 ?        ?        ?         ?        
1 1 1 28 38 5  o 44.15865 18.34213 9.076880   26.66333 9.076880   26.66333 ?          ?        44.15865 18.34213 ?        ?        ?         ?        
1 1 1 28 38 6  o 35.53216 16.32223 -15.31723  26.66333 -15.31723  26.66333 ?          ?        35.53216 16.32223 ?        ?        ?         ?        
1 1 1 28 38 7  o 66.14909 17.97328 49.92284   24.39412 49.92284   24.39412 ?          ?        66.14909 17.97328 ?        ?        ?         ?        
1 1 1 28 38 8  o 81.34991 16.94621 74.88425   26.66333 74.88425   26.66333 ?          ?        81.34991 16.94621 ?        ?        ?         ?        
1 1 1 28 39 0  o 57.80184 28.34731 53.89397   38.57674 53.89397   38.57674 53.89397   38.57674 57.80184 28.34731 57.80184 28.34731 -0.000000 0.000000 
1 1 1 28 39 1  o 79.05181 16.99369 69.21120   26.09603 69.21120   26.09603 ?          ?        79.05181 16.99369 ?        ?        ?         ?        
1 1 1 28 39 2  o 25.24557 12.56104 -59.56702  24.96142 -59.56702  24.96142 ?          ?        25.24557 12.56104 ?        ?        ?         ?        
1 1 1 28 39 3  o 90.95132 14.96990 87.36497   27.23064 87.36497   27.23064 ?          ?        90.95132 14.96990 ?        ?        ?         ?        
1 1 1 28 39 4  o 46.16171 18.53200 14.18262   26.09603 14.18262   26.09603 ?          ?        46.16171 18.53200 ?        ?        ?         ?        
1 1 1 28 39 5  o 58.20706 19.87688 36.30752   27.79794 36.30752   27.79794 ?          ?        58.20706 19.87688 ?        ?        ?         ?        
1 1 1 28 39 6  o 63.11156 18.55661 45.38440   24.96142 45.38440   24.96142 ?          ?        63.11156 18.55661 ?        ?        ?         ?        
1 1 1 28 39 7  o 43.88372 17.79294 12.48071   24.39412 12.48071   24.39412 ?          ?        43.88372 17.79294 ?        ?        ?         ?        
1 1 1 28 40 0  f 40.31660 24.91111 18.15376   38.57674 18.15376   38.57674 18.15376   38.57674 40.31660 24.91111 40.31660 24.91111 -0.000000 0.000000 
1 1 1 28 40 1  o 109.9047 12.13021 125.3744   26.66333 125.3744   26.66333 ?          ?        109.9047 12.13021 ?        ?        ?         ?        
1 1 1 28 40 2  o 40.37813 17.49956 0.000000   26.09603 0.000000   26.09603 ?          ?        40.37813 17.49956 ?        ?        ?         ?        
1 1 1 28 40 3  o 174.9114 8.270633 311.4504   28.93255 311.4504   28.93255 ?          ?        174.9114 8.270633 ?        ?        ?         ?        
1 1 1 28 40 4  f 24.78361 12.41433 -73.18234  26.66333 -73.18234  26.66333 ?          ?        24.78361 12.41433 ?        ?        ?         ?        
1 1 1 28 40 5  o 120.0830 11.81069 150.3358   28.36525 150.3358   28.36525 ?          ?        120.0830 11.81069 ?        ?        ?         ?        
1 1 1 28 40 6  o 60.36687 19.87687 40.84595   27.79794 40.84595   27.79794 ?          ?        60.36687 19.87687 ?        ?        ?         ?        
1 1 1 28 40 7  o 39.31941 17.35083 -2.269220  26.66333 -2.269220  26.66333 ?          ?        39.31941 17.35083 ?        ?        ?         ?        
1 1 1 28 41 0  o 106.2033 21.74010 131.0475   40.84595 131.0475   40.84595 131.0475   40.84595 106.2033 21.74010 106.2033 21.74010 -0.000000 0.000000 
1 1 1 28 41 1  o 69.93183 18.40615 55.02858   26.09603 55.02858   26.09603 ?          ?        69.93183 18.40615 ?        ?        ?         ?        
1 1 1 28 41 2  o 45.22565 18.13776 13.61532   24.96142 13.61532   24.96142 ?          ?        45.22565 18.13776 ?        ?        ?         ?        
1 1 1 28 41 3  f 92.42082 15.03879 90.76879   27.79794 90.76879   27.79794 ?          ?        92.42082 15.03879 ?        ?        ?         ?        
1 1 1 28 41 4  o 30.19766 14.47370 -31.20177  24.96142 -31.20177  24.96142 ?          ?        30.19766 14.47370 ?        ?        ?         ?        
1 1 1 28 41 5  o 50.98878 19.21054 24.39412   26.66333 24.39412   26.66333 ?          ?        50.98878 19.21054 ?        ?        ?         ?        
1 1 1 28 41 6  o 62.83237 19.58143 45.38440   27.23064 45.38440   27.23064 ?          ?        62.83237 19.58143 ?        ?        ?         ?        
1 1 1 28 42 0  o 34.66423 22.74199 1.701915   38.00943 1.701915   38.00943 1.701915   38.00943 34.66423 22.74199 34.66423 22.74199 -0.000000 0.000000 
1 1 1 28 42 1  o 74.80908 17.69664 62.97085   26.09603 62.97085   26.09603 ?          ?        74.80908 17.69664 ?        ?        ?         ?        
1 1 1 28 42 2  o 92.77252 14.06452 90.76879   26.09603 90.76879   26.09603 ?          ?        92.77252 14.06452 ?        ?        ?         ?        
1 1 1 28 42 3  o 76.91153 18.00248 66.94199   27.23064 66.94199   27.23064 ?          ?        76.91153 18.00248 ?        ?        ?         ?        
1 1 1 28 42 4  o 61.03596 19.87687 41.98057   27.79794 41.98057   27.79794 ?          ?        61.03596 19.87687 ?        ?        ?         ?        
1 1 1 28 42 5  o 36.30762 16.49581 -10.77879  26.09603 -10.77879  26.09603 ?          ?        36.30762 16.49581 ?        ?        ?         ?        
1 1 1 28 42 6  o 35.41553 16.29114 -14.74993  26.66333 -14.74993  26.66333 ?          ?        35.41553 16.29114 ?        ?        ?         ?        
1 1 1 28 43 0  f 46.63543 27.11927 32.90369   40.84595 32.90369   40.84595 32.90369   40.84595 46.63543 27.11927 46.63543 27.11927 -0.000000 0.000000 
1 1 1 28 43 1  o 33.57836 15.70206 -20.99029  26.09603 -20.99029  26.09603 ?          ?        33.57836 15.70206 ?        ?        ?         ?        
1 1 1 28 43 2  o 80.82016 17.02896 73.18234   26.66333 73.18234   26.66333 ?          ?        80.82016 17.02896 ?        ?        ?         ?        
1 1 1 28 43 3  o 66.88636 19.55585 51.62476   27.79794 51.62476   27.79794 ?          ?        66.88636 19.55585 ?        ?        ?         ?        
1 1 1 28 43 4  o 96.75924 13.77818 99.27837   26.66333 99.27837   26.66333 ?          ?        96.75924 13.77818 ?        ?        ?         ?        
1 1 1 28 43 5  o 31.21612 14.88357 -27.79794  25.52872 -27.79794  25.52872 ?          ?        31.21612 14.88357 ?        ?        ?         ?        
1 1 1 28 44 0  o 83.17341 26.42998 93.03801   38.57674 93.03801   38.57674 93.03801   38.57674 83.17341 26.42998 83.17341 26.42998 -0.000000 0.000000 
1 1 1 28 44 1  o 161.1828 9.854985 267.7679   31.76908 267.7679   31.76908 ?          ?        161.1828 9.854985 ?        ?        ?         ?        
1 1 1 28 44 2  o 33.90302 15.92321 -24.39412  27.79794 -24.39412  27.79794 ?          ?        33.90302 15.92321 ?        ?        ?         ?        
1 1 1 28 44 3  o 109.7099 12.66884 126.5090   27.79794 126.5090   27.79794 ?          ?        109.7099 12.66884 ?        ?        ?         ?        
1 1 1 28 44 4  o 102.1466 13.32919 110.6245   27.23064 110.6245   27.23064 ?          ?        102.1466 13.32919 ?        ?        ?         ?        
1 1 1 28 44 5  o 111.1314 12.76203 130.4801   28.36525 130.4801   28.36525 ?          ?        111.1314 12.76203 ?        ?        ?         ?        
1 1 1 28 45 0  o 29.11078 20.34708 -28.93255  41.41326 -28.93255  41.41326 -28.93255  41.41326 29.11078 20.34708 29.11078 20.34708 -0.000000 0.000000 
1 1 1 28 45 1  o 60.60649 19.44589 41.41326   26.66333 41.41326   26.66333 ?          ?        60.60649 19.44589 ?        ?        ?         ?        
1 1 1 28 45 2  o 25.91765 12.92651 -66.94199  27.23064 -66.94199  27.23064 ?          ?        25.91765 12.92651 ?        ?        ?         ?        
1 1 1 28 45 3  o 52.17759 19.46202 26.66333   27.23064 26.66333   27.23064 ?          ?        52.17759 19.46202 ?        ?        ?         ?        
1 1 1 28 45 4  o 50.00265 18.80558 23.82681   25.52872 23.82681   25.52872 ?          ?        50.00265 18.80558 ?        ?        ?         ?        
1 1 1 28 46 0  o 46.39380 28.41796 29.49986   49.35553 29.49986   49.35553 29.49986   49.35553 46.39380 28.41796 46.39380 28.41796 -0.000000 0.000000 
1 1 1 28 46 1  o 112.7274 12.07810 133.3167   27.23064 133.3167   27.23064 ?          ?        112.7274 12.07810 ?        ?        ?         ?        
1 1 1 28 46 2  o 155.0117 9.881341 248.4796   30.63447 248.4796   30.63447 ?          ?        155.0117 9.881341 ?        ?        ?         ?        
1 1 1 28 46 3  o 110.7224 13.06536 129.9128   28.93255 129.9128   28.93255 ?          ?        110.7224 13.06536 ?        ?        ?         ?        
1 1 1 28 47 0  o 61.30390 29.45898 62.97085   41.41326 62.97085   41.41326 62.97085   41.41326 61.30390 29.45898 61.30390 29.45898 -0.000000 0.000000 
1 1 1 28 47 1  o 65.01760 20.16835 49.35553   28.93255 49.35553   28.93255 ?          ?        65.01760 20.16835 ?        ?        ?         ?        
1 1 1 28 47 2  o 91.52163 14.25675 89.63419   26.09603 89.63419   26.09603 ?          ?        91.52163 14.25675 ?        ?        ?         ?        
1 1 1 29 0  3  f 46.58074 32.20018 -54.46128  95.30723 -54.46128  95.30723 -54.46128  95.30723 46.58074 32.20018 46.58074 32.20018 -0.000000 0.000000 
1 1 1 29 0  4  o 84.16051 42.19864 111.7591   86.23035 111.7591   86.23035 111.7591   86.23035 84.16051 42.19864 84.16051 42.19864 -0.000000 0.000000 
1 1 1 29 0  5  f 77.66249 38.37650 94.73994   70.91312 94.73994   70.91312 94.73994   70.91312 77.66249 38.37650 77.66249 38.37650 -0.000000 0.000000 
1 1 1 29 0  6  o 60.97256 32.89416 57.86510   55.02858 57.86510   55.02858 57.86510   55.02858 60.97256 32.89416 60.97256 32.89416 -0.000000 0.000000 
1 1 1 29 0  7  o 61.56404 32.10814 59.56702   51.05745 59.56702   51.05745 59.56702   51.05745 61.56404 32.10814 61.56404 32.10814 -0.000000 0.000000 
1 1 1 29 0  8  o 206.3911 22.31042 456.1132   90.20149 456.1132   90.20149 456.1132   90.20149 206.3911 22.31042 206.3911 22.31042 -0.000000 0.000000 
1 1 1 29 0  9  o 95.34425 34.47639 128.2109   60.13433 128.2109   60.13433 128.2109   60.13433 95.34425 34.47639 95.34425 34.47639 -0.000000 0.000000 
1 1 1 29 0  10 o 40.27003 26.61642 0.000000   53.32666 0.000000   53.32666 0.000000   53.32666 40.27003 26.61642 40.27003 26.61642 -0.000000 0.000000 
1 1 1 29 0  11 o 153.8108 16.95653 253.5853   51.05745 253.5853   51.05745 253.5853   51.05745 153.8108 16.95653 153.8108 16.95653 -0.000000 0.000000 
1 1 1 29 0  12 o 112.5230 23.09528 149.7685   45.95170 149.7685   45.95170 149.7685   45.95170 112.5230 23.09528 112.5230 23.09528 -0.000000 0.000000 
1 1 1 29 1  1  o 96.65627 30.02868 99.84568   64.10546 99.84568   64.10546 ?          ?        96.65627 30.02868 ?        ?        ?         ?        
1 1 1 29 1  3  o 60.91008 27.66041 -35.74022  73.18234 -35.74022  73.18234 ?          ?        60.91008 27.66041 ?        ?        ?         ?        
1 1 1 29 1  4  o 119.9223 24.73427 155.4416   57.29780 155.4416   57.29780 ?          ?        119.9223 24.73427 ?        ?        ?         ?        
1 1 1 29 1  5  o 76.57284 27.92099 53.89397   55.59589 53.89397   55.59589 ?          ?        76.57284 27.92099 ?        ?        ?         ?        
1 1 1 29 1  6  o 134.6839 17.05910 187.7779   45.95170 187.7779   45.95170 ?          ?        134.6839 17.05910 ?        ?        ?         ?        
1 1 1 29 1  7  o 83.09564 23.94795 76.01886   41.98057 76.01886   41.98057 ?          ?        83.09564 23.94795 ?        ?        ?         ?        
1 1 1 29 1  8  o 84.27848 23.41063 79.42269   40.84595 79.42269   40.84595 ?          ?        84.27848 23.41063 ?        ?        ?         ?        
1 1 1 29 1  9  o 61.83874 23.28071 34.03830   39.14404 34.03830   39.14404 ?          ?        61.83874 23.28071 ?        ?        ?         ?        
1 1 1 29 1  10 o 56.83388 22.84240 23.25950   39.71135 23.25950   39.71135 ?          ?        56.83388 22.84240 ?        ?        ?         ?        
1 1 1 29 1  11 o 51.57367 20.41845 20.42298   31.20177 20.42298   31.20177 ?          ?        51.57367 20.41845 ?        ?        ?         ?        
1 1 1 29 1  12 o 63.71478 19.52626 46.51900   27.23064 46.51900   27.23064 ?          ?        63.71478 19.52626 ?        ?        ?         ?        
1 1 1 29 2  1  o 63.04752 30.01298 -114.5956  103.2495 -114.5956  103.2495 ?          ?        63.04752 30.01298 ?        ?        ?         ?        
1 1 1 29 2  3  o 97.82095 30.74526 102.1149   66.94199 102.1149   66.94199 ?          ?        97.82095 30.74526 ?        ?        ?         ?        
1 1 1 29 2  4  o 55.25510 24.76875 -20.99029  56.73050 -20.99029  56.73050 ?          ?        55.25510 24.76875 ?        ?        ?         ?        
1 1 1 29 2  5  o 56.35129 24.84099 -10.21149  54.46128 -10.21149  54.46128 ?          ?        56.35129 24.84099 ?        ?        ?         ?        
1 1 1 29 2  6  o 91.62769 27.34902 93.60532   53.89397 93.60532   53.89397 ?          ?        91.62769 27.34902 ?        ?        ?         ?        
1 1 1 29 2  7  o 52.60357 22.48142 3.403830   41.98057 3.403830   41.98057 ?          ?        52.60357 22.48142 ?        ?        ?         ?        
1 1 1 29 2  8  o 180.4339 12.73367 333.5753   45.95170 333.5753   45.95170 ?          ?        180.4339 12.73367 ?        ?        ?         ?        
1 1 1 29 2  9  o 55.93781 22.06379 22.69220   36.30752 22.69220   36.30752 ?          ?        55.93781 22.06379 ?        ?        ?         ?        
1 1 1 29 2  10 o 76.14971 22.80915 66.37468   37.44213 66.37468   37.44213 ?          ?        76.14971 22.80915 ?        ?        ?         ?        
1 1 1 29 2  11 o 34.56645 16.28355 -28.36525  29.49986 -28.36525  29.49986 ?          ?        34.56645 16.28355 ?        ?        ?         ?        
1 1 1 29 2  12 o 88.83355 16.58175 87.93227   28.36525 87.93227   28.36525 ?          ?        88.83355 16.58175 ?        ?        ?         ?        
1 1 1 29 3  1  o 107.9659 36.47475 123.1052   93.60532 123.1052   93.60532 ?          ?        107.9659 36.47475 ?        ?        ?         ?        
1 1 1 29 3  3  o 75.79565 30.02591 38.00943   67.50929 38.00943   67.50929 ?          ?        75.79565 30.02591 ?        ?        ?         ?        
1 1 1 29 3  4  o 95.26295 26.05542 98.71106   51.05745 98.71106   51.05745 ?          ?        95.26295 26.05542 ?        ?        ?         ?        
1 1 1 29 3  5  o 122.2784 24.52573 162.2492   57.86510 162.2492   57.86510 ?          ?        122.2784 24.52573 ?        ?        ?         ?        
1 1 1 29 3  6  o 223.7304 17.11573 518.5167   76.58617 518.5167   76.58617 ?          ?        223.7304 17.11573 ?        ?        ?         ?        
1 1 1 29 3  7  o 46.33565 19.94633 0.000000   33.47099 0.000000   33.47099 ?          ?        46.33565 19.94633 ?        ?        ?         ?        
1 1 1 29 3  8  o 154.5164 11.93233 243.9411   36.87482 243.9411   36.87482 ?          ?        154.5164 11.93233 ?        ?        ?         ?        
1 1 1 29 3  9  o 122.4317 13.20589 154.3070   32.33638 154.3070   32.33638 ?          ?        122.4317 13.20589 ?        ?        ?         ?        
1 1 1 29 3  10 o 50.11297 21.14025 9.076880   36.30752 9.076880   36.30752 ?          ?        50.11297 21.14025 ?        ?        ?         ?        
1 1 1 29 3  11 o 73.33050 20.73679 61.83624   31.76908 61.83624   31.76908 ?          ?        73.33050 20.73679 ?        ?        ?         ?        
1 1 1 29 3  12 o 31.74911 15.39834 -45.38440  30.63447 -45.38440  30.63447 ?          ?        31.74911 15.39834 ?        ?        ?         ?        
1 1 1 29 4  1  o 105.6364 34.18190 119.7014   82.25922 119.7014   82.25922 ?          ?        105.6364 34.18190 ?        ?        ?         ?        
1 1 1 29 4  3  o 111.0577 31.33360 135.5859   72.61504 135.5859   72.61504 ?          ?        111.0577 31.33360 ?        ?        ?         ?        
1 1 1 29 4  4  o 168.0504 19.57965 291.0274   65.80738 291.0274   65.80738 ?          ?        168.0504 19.57965 ?        ?        ?         ?        
1 1 1 29 4  5  o 76.48045 31.19330 32.90369   75.45156 32.90369   75.45156 ?          ?        76.48045 31.19330 ?        ?        ?         ?        
1 1 1 29 4  6  o 152.7036 15.97482 240.5373   48.78823 240.5373   48.78823 ?          ?        152.7036 15.97482 ?        ?        ?         ?        
1 1 1 29 4  7  o 47.43991 20.34738 1.134610   34.60560 1.134610   34.60560 ?          ?        47.43991 20.34738 ?        ?        ?         ?        
1 1 1 29 4  8  o 139.8366 14.60489 201.9606   40.84595 201.9606   40.84595 ?          ?        139.8366 14.60489 ?        ?        ?         ?        
1 1 1 29 4  9  o 78.05383 20.20011 67.50929   31.76908 67.50929   31.76908 ?          ?        78.05383 20.20011 ?        ?        ?         ?        
1 1 1 29 4  10 o 120.9272 14.54301 153.1723   35.17290 153.1723   35.17290 ?          ?        120.9272 14.54301 ?        ?        ?         ?        
1 1 1 29 4  11 o 116.6569 11.91440 141.2589   27.79794 141.2589   27.79794 ?          ?        116.6569 11.91440 ?        ?        ?         ?        
1 1 1 29 4  12 o 92.26136 18.17155 96.44185   32.33638 96.44185   32.33638 ?          ?        92.26136 18.17155 ?        ?        ?         ?        
1 1 1 29 5  1  o 190.6654 27.22487 382.3636   103.8168 382.3636   103.8168 ?          ?        190.6654 27.22487 ?        ?        ?         ?        
1 1 1 29 5  2  o 124.7192 38.97644 174.1626   107.7879 174.1626   107.7879 ?          ?        124.7192 38.97644 ?        ?        ?         ?        
1 1 1 29 5  3  o 72.05150 29.30037 26.66333   66.37468 26.66333   66.37468 ?          ?        72.05150 29.30037 ?        ?        ?         ?        
1 1 1 29 5  4  o 124.9355 27.31553 171.3261   66.37468 171.3261   66.37468 ?          ?        124.9355 27.31553 ?        ?        ?         ?        
1 1 1 29 5  5  o 43.16776 20.77528 -74.31695  52.75936 -74.31695  52.75936 ?          ?        43.16776 20.77528 ?        ?        ?         ?        
1 1 1 29 5  6  o 101.9026 23.07902 114.5956   45.95170 114.5956   45.95170 ?          ?        101.9026 23.07902 ?        ?        ?         ?        
1 1 1 29 5  7  o 53.13958 22.82864 2.269220   43.68248 2.269220   43.68248 ?          ?        53.13958 22.82864 ?        ?        ?         ?        
1 1 1 29 5  8  o 86.81646 21.88294 83.96114   38.00943 83.96114   38.00943 ?          ?        86.81646 21.88294 ?        ?        ?         ?        
1 1 1 29 5  9  o 84.84197 18.56381 78.85539   30.63447 78.85539   30.63447 ?          ?        84.84197 18.56381 ?        ?        ?         ?        
1 1 1 29 5  10 o 143.7735 12.42935 213.8740   35.74022 213.8740   35.74022 ?          ?        143.7735 12.42935 ?        ?        ?         ?        
1 1 1 29 5  11 o 39.35619 18.27860 -23.25950  34.60560 -23.25950  34.60560 ?          ?        39.35619 18.27860 ?        ?        ?         ?        
1 1 1 29 5  12 o 76.17409 20.42794 68.07660   31.76908 68.07660   31.76908 ?          ?        76.17409 20.42794 ?        ?        ?         ?        
1 1 1 29 6  1  o 58.06608 24.94948 0.000000   52.19205 0.000000   52.19205 ?          ?        58.06608 24.94948 ?        ?        ?         ?        
1 1 1 29 6  2  o 176.9974 20.99380 322.7965   74.31695 322.7965   74.31695 ?          ?        176.9974 20.99380 ?        ?        ?         ?        
1 1 1 29 6  3  o 88.76978 29.64578 80.55730   61.83624 80.55730   61.83624 ?          ?        88.76978 29.64578 ?        ?        ?         ?        
1 1 1 29 6  4  o 127.8834 19.96251 169.0569   51.05745 169.0569   51.05745 ?          ?        127.8834 19.96251 ?        ?        ?         ?        
1 1 1 29 6  5  o 59.78355 26.48613 -14.18262  62.97085 -14.18262  62.97085 ?          ?        59.78355 26.48613 ?        ?        ?         ?        
1 1 1 29 6  6  f 127.6346 27.45583 183.8068   68.07660 183.8068   68.07660 ?          ?        127.6346 27.45583 ?        ?        ?         ?        
1 1 1 29 6  7  o 131.2495 17.50548 179.2684   45.95170 179.2684   45.95170 ?          ?        131.2495 17.50548 ?        ?        ?         ?        
1 1 1 29 6  8  o 107.9984 20.44172 127.6436   42.54787 127.6436   42.54787 ?          ?        107.9984 20.44172 ?        ?        ?         ?        
1 1 1 29 6  9  o 49.67002 20.24674 13.04801   31.76908 13.04801   31.76908 ?          ?        49.67002 20.24674 ?        ?        ?         ?        
1 1 1 29 6  10 o 129.0331 14.28890 174.1626   36.87482 174.1626   36.87482 ?          ?        129.0331 14.28890 ?        ?        ?         ?        
1 1 1 29 6  11 o 53.90314 20.22668 27.23064   29.49986 27.23064   29.49986 ?          ?        53.90314 20.22668 ?        ?        ?         ?        
1 1 1 29 6  12 o 53.78596 21.31625 24.39412   34.03830 24.39412   34.03830 ?          ?        53.78596 21.31625 ?        ?        ?         ?        
1 1 1 29 7  1  o 129.4763 21.46953 173.0280   55.59589 173.0280   55.59589 ?          ?        129.4763 21.46953 ?        ?        ?         ?        
1 1 1 29 7  2  o 84.17183 29.68981 68.07660   62.40355 68.07660   62.40355 ?          ?        84.17183 29.68981 ?        ?        ?         ?        
1 1 1 29 7  3  f 110.5046 24.02966 131.6148   51.62476 131.6148   51.62476 ?          ?        110.5046 24.02966 ?        ?        ?         ?        
1 1 1 29 7  4  o 152.8309 16.88950 239.4027   51.62476 239.4027   51.62476 ?          ?        152.8309 16.88950 ?        ?        ?         ?        
1 1 1 29 7  5  o 85.93816 24.73617 79.99000   44.81709 79.99000   44.81709 ?          ?        85.93816 24.73617 ?        ?        ?         ?        
1 1 1 29 7  6  o 78.78558 27.61092 63.53815   53.89397 63.53815   53.89397 ?          ?        78.78558 27.61092 ?        ?        ?         ?        
1 1 1 29 7  7  o 38.16984 18.28538 -51.05745  39.71135 -51.05745  39.71135 ?          ?        38.16984 18.28538 ?        ?        ?         ?        
1 1 1 29 7  8  o 127.7850 17.53613 171.3261   44.81709 171.3261   44.81709 ?          ?        127.7850 17.53613 ?        ?        ?         ?        
1 1 1 29 7  9  o 40.13454 18.31128 -18.15376  32.90369 -18.15376  32.90369 ?          ?        40.13454 18.31128 ?        ?        ?         ?        
1 1 1 29 7  10 o 136.9122 13.88095 195.7202   38.00943 195.7202   38.00943 ?          ?        136.9122 13.88095 ?        ?        ?         ?        
1 1 1 29 7  11 o 43.81397 18.59408 5.673049   28.36525 5.673049   28.36525 ?          ?        43.81397 18.59408 ?        ?        ?         ?        
1 1 1 29 7  12 o 47.79044 19.94665 11.91340   31.76908 11.91340   31.76908 ?          ?        47.79044 19.94665 ?        ?        ?         ?        
1 1 1 29 8  2  o 150.9004 24.62451 237.1335   74.31695 237.1335   74.31695 ?          ?        150.9004 24.62451 ?        ?        ?         ?        
1 1 1 29 8  3  o 113.9465 25.30993 140.6916   56.16319 140.6916   56.16319 ?          ?        113.9465 25.30993 ?        ?        ?         ?        
1 1 1 29 8  4  o 246.4266 12.31637 615.5258   60.70163 615.5258   60.70163 ?          ?        246.4266 12.31637 ?        ?        ?         ?        
1 1 1 29 8  5  o 63.07997 25.15158 24.96142   47.65361 24.96142   47.65361 ?          ?        63.07997 25.15158 ?        ?        ?         ?        
1 1 1 29 8  6  o 101.8899 19.35180 111.7591   38.00943 111.7591   38.00943 ?          ?        101.8899 19.35180 ?        ?        ?         ?        
1 1 1 29 8  7  o 52.75721 21.81356 11.91340   37.44213 11.91340   37.44213 ?          ?        52.75721 21.81356 ?        ?        ?         ?        
1 1 1 29 8  8  o 71.47728 24.72966 53.32666   43.11518 53.32666   43.11518 ?          ?        71.47728 24.72966 ?        ?        ?         ?        
1 1 1 29 8  9  o 98.51509 16.12397 101.5476   31.76908 101.5476   31.76908 ?          ?        98.51509 16.12397 ?        ?        ?         ?        
1 1 1 29 8  10 o 79.40269 20.00120 71.48043   31.76908 71.48043   31.76908 ?          ?        79.40269 20.00120 ?        ?        ?         ?        
1 1 1 29 8  11 o 108.8186 13.29394 124.2398   28.93255 124.2398   28.93255 ?          ?        108.8186 13.29394 ?        ?        ?         ?        
1 1 1 29 8  12 o 79.79773 18.77611 73.18234   29.49986 73.18234   29.49986 ?          ?        79.79773 18.77611 ?        ?        ?         ?        
1 1 1 29 9  1  o 65.58872 29.03353 -17.01915  75.45156 -17.01915  75.45156 ?          ?        65.58872 29.03353 ?        ?        ?         ?        
1 1 1 29 9  2  o 69.77248 29.74644 6.807660   73.18234 6.807660   73.18234 ?          ?        69.77248 29.74644 ?        ?        ?         ?        
1 1 1 29 9  3  o 84.75548 28.39552 73.18234   56.73050 73.18234   56.73050 ?          ?        84.75548 28.39552 ?        ?        ?         ?        
1 1 1 29 9  4  f 251.8886 11.59886 642.1892   58.43241 642.1892   58.43241 ?          ?        251.8886 11.59886 ?        ?        ?         ?        
1 1 1 29 9  5  o 109.1292 21.29358 128.2109   44.81709 128.2109   44.81709 ?          ?        109.1292 21.29358 ?        ?        ?         ?        
1 1 1 29 9  6  o 42.91508 19.48704 -18.15376  36.30752 -18.15376  36.30752 ?          ?        42.91508 19.48704 ?        ?        ?         ?        
1 1 1 29 9  7  o 122.2782 17.39799 156.0089   42.54787 156.0089   42.54787 ?          ?        122.2782 17.39799 ?        ?        ?         ?        
1 1 1 29 9  8  o 88.83363 22.35312 88.49958   39.71135 88.49958   39.71135 ?          ?        88.83363 22.35312 ?        ?        ?         ?        
1 1 1 29 9  9  o 103.4556 16.45068 112.3264   34.03830 112.3264   34.03830 ?          ?        103.4556 16.45068 ?        ?        ?         ?        
1 1 1 29 9  10 o 40.38029 18.14828 -9.644185  30.63447 -9.644185  30.63447 ?          ?        40.38029 18.14828 ?        ?        ?         ?        
1 1 1 29 9  11 o 72.40674 21.31019 60.70163   32.90369 60.70163   32.90369 ?          ?        72.40674 21.31019 ?        ?        ?         ?        
1 1 1 29 9  12 o 122.4165 16.45147 162.8165   40.27865 162.8165   40.27865 ?          ?        122.4165 16.45147 ?        ?        ?         ?        
1 1 1 29 10 0  o 66.41260 41.28675 43.11518   107.2206 43.11518   107.2206 43.11518   107.2206 66.41260 41.28675 66.41260 41.28675 -0.000000 0.000000 
1 1 1 29 10 1  o 82.78825 32.28905 51.05745   77.15348 51.05745   77.15348 ?          ?        82.78825 32.28905 ?        ?        ?         ?        
1 1 1 29 10 2  o 124.6695 22.92789 165.6530   55.02858 165.6530   55.02858 ?          ?        124.6695 22.92789 ?        ?        ?         ?        
1 1 1 29 10 3  o 69.57941 27.34746 33.47099   55.59589 33.47099   55.59589 ?          ?        69.57941 27.34746 ?        ?        ?         ?        
1 1 1 29 10 4  o 119.7260 18.00578 147.4993   43.11518 147.4993   43.11518 ?          ?        119.7260 18.00578 ?        ?        ?         ?        
1 1 1 29 10 5  o 141.8549 15.59685 206.4990   44.24979 206.4990   44.24979 ?          ?        141.8549 15.59685 ?        ?        ?         ?        
1 1 1 29 10 6  o 92.21969 20.23682 92.47070   36.30752 92.47070   36.30752 ?          ?        92.21969 20.23682 ?        ?        ?         ?        
1 1 1 29 10 7  o 50.03234 21.12489 6.240355   36.30752 6.240355   36.30752 ?          ?        50.03234 21.12489 ?        ?        ?         ?        
1 1 1 29 10 8  o 75.48899 23.26257 62.97085   38.57674 62.97085   38.57674 ?          ?        75.48899 23.26257 ?        ?        ?         ?        
1 1 1 29 10 9  o 81.40594 22.08853 74.88425   36.87482 74.88425   36.87482 ?          ?        81.40594 22.08853 ?        ?        ?         ?        
1 1 1 29 10 10 o 74.10802 20.66613 62.97085   31.76908 62.97085   31.76908 ?          ?        74.10802 20.66613 ?        ?        ?         ?        
1 1 1 29 10 11 o 84.01165 20.70224 81.69191   34.60560 81.69191   34.60560 ?          ?        84.01165 20.70224 ?        ?        ?         ?        
1 1 1 29 10 12 o 161.8834 10.68843 271.7391   34.60560 271.7391   34.60560 ?          ?        161.8834 10.68843 ?        ?        ?         ?        
1 1 1 29 11 0  o 115.9716 34.09948 169.0569   68.64390 169.0569   68.64390 169.0569   68.64390 115.9716 34.09948 115.9716 34.09948 -0.000000 0.000000 
1 1 1 29 11 1  o 176.4182 18.16861 318.2581   64.10546 318.2581   64.10546 ?          ?        176.4182 18.16861 ?        ?        ?         ?        
1 1 1 29 11 2  o 77.62213 25.06567 61.83624   44.24979 61.83624   44.24979 ?          ?        77.62213 25.06567 ?        ?        ?         ?        
1 1 1 29 11 3  o 102.7209 24.81780 115.1629   50.49014 115.1629   50.49014 ?          ?        102.7209 24.81780 ?        ?        ?         ?        
1 1 1 29 11 4  o 109.6677 21.18935 128.7782   44.81709 128.7782   44.81709 ?          ?        109.6677 21.18935 ?        ?        ?         ?        
1 1 1 29 11 5  o 146.9150 13.90122 220.6816   40.84595 220.6816   40.84595 ?          ?        146.9150 13.90122 ?        ?        ?         ?        
1 1 1 29 11 6  o 125.3583 15.38659 161.6819   38.57674 161.6819   38.57674 ?          ?        125.3583 15.38659 ?        ?        ?         ?        
1 1 1 29 11 7  o 105.7172 16.63537 116.2975   35.17290 116.2975   35.17290 ?          ?        105.7172 16.63537 ?        ?        ?         ?        
1 1 1 29 11 8  o 91.86919 20.00818 93.03801   35.74022 93.03801   35.74022 ?          ?        91.86919 20.00818 ?        ?        ?         ?        
1 1 1 29 11 9  o 54.51557 21.26622 23.25950   33.47099 23.25950   33.47099 ?          ?        54.51557 21.26622 ?        ?        ?         ?        
1 1 1 29 11 10 o 97.45406 15.42633 100.9803   30.06716 100.9803   30.06716 ?          ?        97.45406 15.42633 ?        ?        ?         ?        
1 1 1 29 11 11 o 46.15578 19.54036 7.374964   31.20177 7.374964   31.20177 ?          ?        46.15578 19.54036 ?        ?        ?         ?        
1 1 1 29 11 12 o 120.5943 12.70146 153.1723   30.63447 153.1723   30.63447 ?          ?        120.5943 12.70146 ?        ?        ?         ?        
1 1 1 29 12 0  o 77.21311 36.10559 90.76879   61.83624 90.76879   61.83624 90.76879   61.83624 77.21311 36.10559 77.21311 36.10559 -0.000000 0.000000 
1 1 1 29 12 1  o 122.6967 20.34400 154.8743   49.92284 154.8743   49.92284 ?          ?        122.6967 20.34400 ?        ?        ?         ?        
1 1 1 29 12 2  o 91.88669 24.97274 91.33610   47.08631 91.33610   47.08631 ?          ?        91.88669 24.97274 ?        ?        ?         ?        
1 1 1 29 12 3  f 182.7400 15.36697 340.9503   56.16319 340.9503   56.16319 ?          ?        182.7400 15.36697 ?        ?        ?         ?        
1 1 1 29 12 4  o 107.8374 19.66787 123.6725   40.84595 123.6725   40.84595 ?          ?        107.8374 19.66787 ?        ?        ?         ?        
1 1 1 29 12 5  o 102.0111 19.89595 112.3264   39.14404 112.3264   39.14404 ?          ?        102.0111 19.89595 ?        ?        ?         ?        
1 1 1 29 12 6  o 76.85910 22.76612 64.10546   37.44213 64.10546   37.44213 ?          ?        76.85910 22.76612 ?        ?        ?         ?        
1 1 1 29 12 7  o 115.5470 16.69309 138.9897   38.57674 138.9897   38.57674 ?          ?        115.5470 16.69309 ?        ?        ?         ?        
1 1 1 29 12 8  o 88.95169 22.84323 89.06688   40.84595 89.06688   40.84595 ?          ?        88.95169 22.84323 ?        ?        ?         ?        
1 1 1 29 12 9  o 87.19888 19.06649 84.52843   32.33638 84.52843   32.33638 ?          ?        87.19888 19.06649 ?        ?        ?         ?        
1 1 1 29 12 10 o 66.83983 19.02840 50.49014   26.66333 50.49014   26.66333 ?          ?        66.83983 19.02840 ?        ?        ?         ?        
1 1 1 29 12 11 o 117.0662 14.05346 144.6628   32.90369 144.6628   32.90369 ?          ?        117.0662 14.05346 ?        ?        ?         ?        
1 1 1 29 12 12 o 56.36567 19.45254 34.60560   26.66333 34.60560   26.66333 ?          ?        56.36567 19.45254 ?        ?        ?         ?        
1 1 1 29 13 0  o 38.59921 25.80052 -11.91340  52.75936 -11.91340  52.75936 -11.91340  52.75936 38.59921 25.80052 38.59921 25.80052 -0.000000 0.000000 
1 1 1 29 13 1  o 68.24247 22.89321 45.95170   36.87482 45.95170   36.87482 ?          ?        68.24247 22.89321 ?        ?        ?         ?        
1 1 1 29 13 2  o 127.7624 18.87132 167.9223   48.22092 167.9223   48.22092 ?          ?        127.7624 18.87132 ?        ?        ?         ?        
1 1 1 29 13 3  o 78.76041 28.63363 57.86510   58.43241 57.86510   58.43241 ?          ?        78.76041 28.63363 ?        ?        ?         ?        
1 1 1 29 13 4  o 235.2357 11.81706 560.4974   55.59589 560.4974   55.59589 ?          ?        235.2357 11.81706 ?        ?        ?         ?        
1 1 1 29 13 5  o 62.27916 21.59814 38.00943   32.90369 38.00943   32.90369 ?          ?        62.27916 21.59814 ?        ?        ?         ?        
1 1 1 29 13 6  o 74.48235 21.83313 60.13433   34.60560 60.13433   34.60560 ?          ?        74.48235 21.83313 ?        ?        ?         ?        
1 1 1 29 13 7  o 167.8713 12.33482 288.1909   41.41326 288.1909   41.41326 ?          ?        167.8713 12.33482 ?        ?        ?         ?        
1 1 1 29 13 8  o 52.94656 22.29762 9.076880   40.27865 9.076880   40.27865 ?          ?        52.94656 22.29762 ?        ?        ?         ?        
1 1 1 29 13 9  o 40.21018 18.39412 -18.15376  33.47099 -18.15376  33.47099 ?          ?        40.21018 18.39412 ?        ?        ?         ?        
1 1 1 29 13 10 o 42.27604 18.76066 -5.673049  31.76908 -5.673049  31.76908 ?          ?        42.27604 18.76066 ?        ?        ?         ?        
1 1 1 29 13 11 f 43.65403 19.02929 0.5673050  31.20177 0.5673050  31.20177 ?          ?        43.65403 19.02929 ?        ?        ?         ?        
1 1 1 29 13 12 o 71.70074 19.33618 60.13433   28.36525 60.13433   28.36525 ?          ?        71.70074 19.33618 ?        ?        ?         ?        
1 1 1 29 14 0  o 42.57476 27.43592 5.673049   52.19205 5.673049   52.19205 5.673049   52.19205 42.57476 27.43592 42.57476 27.43592 -0.000000 0.000000 
1 1 1 29 14 1  o 179.0907 13.14594 325.0657   47.08631 325.0657   47.08631 ?          ?        179.0907 13.14594 ?        ?        ?         ?        
1 1 1 29 14 2  o 199.9858 12.76527 405.6230   51.05745 405.6230   51.05745 ?          ?        199.9858 12.76527 ?        ?        ?         ?        
1 1 1 29 14 3  f 141.0483 17.29487 204.2298   48.78823 204.2298   48.78823 ?          ?        141.0483 17.29487 ?        ?        ?         ?        
1 1 1 29 14 4  o 180.4741 11.63064 330.1715   41.98057 330.1715   41.98057 ?          ?        180.4741 11.63064 ?        ?        ?         ?        
1 1 1 29 14 5  o 136.9351 15.95007 193.4510   43.68248 193.4510   43.68248 ?          ?        136.9351 15.95007 ?        ?        ?         ?        
1 1 1 29 14 6  o 66.14130 24.09980 40.84595   41.41326 40.84595   41.41326 ?          ?        66.14130 24.09980 ?        ?        ?         ?        
1 1 1 29 14 7  o 190.2672 11.03201 368.7482   41.98057 368.7482   41.98057 ?          ?        190.2672 11.03201 ?        ?        ?         ?        
1 1 1 29 14 8  o 85.36604 26.31382 82.82652   49.35553 82.82652   49.35553 ?          ?        85.36604 26.31382 ?        ?        ?         ?        
1 1 1 29 14 9  o 55.16674 21.17752 26.09603   32.90369 26.09603   32.90369 ?          ?        55.16674 21.17752 ?        ?        ?         ?        
1 1 1 29 14 10 o 136.6497 12.03943 193.4510   32.90369 193.4510   32.90369 ?          ?        136.6497 12.03943 ?        ?        ?         ?        
1 1 1 29 14 11 f 42.85050 18.30293 4.538440   27.79794 4.538440   27.79794 ?          ?        42.85050 18.30293 ?        ?        ?         ?        
1 1 1 29 14 12 o 41.19057 18.41893 -5.673049  31.20177 -5.673049  31.20177 ?          ?        41.19057 18.41893 ?        ?        ?         ?        
1 1 1 29 15 0  o 101.7853 29.86717 129.9128   52.75936 129.9128   52.75936 129.9128   52.75936 101.7853 29.86717 101.7853 29.86717 -0.000000 0.000000 
1 1 1 29 15 1  o 62.22592 23.30947 31.76908   39.14404 31.76908   39.14404 ?          ?        62.22592 23.30947 ?        ?        ?         ?        
1 1 1 29 15 2  o 123.8827 19.69130 158.8454   48.78823 158.8454   48.78823 ?          ?        123.8827 19.69130 ?        ?        ?         ?        
1 1 1 29 15 3  o 144.8449 15.86238 214.4413   45.95170 214.4413   45.95170 ?          ?        144.8449 15.86238 ?        ?        ?         ?        
1 1 1 29 15 4  o 171.9932 12.03922 300.6716   41.41326 300.6716   41.41326 ?          ?        171.9932 12.03922 ?        ?        ?         ?        
1 1 1 29 15 5  o 66.96117 23.82918 43.11518   40.27865 43.11518   40.27865 ?          ?        66.96117 23.82918 ?        ?        ?         ?        
1 1 1 29 15 6  o 82.23945 24.63740 74.88425   43.68248 74.88425   43.68248 ?          ?        82.23945 24.63740 ?        ?        ?         ?        
1 1 1 29 15 7  o 129.6338 14.44150 173.5953   37.44213 173.5953   37.44213 ?          ?        129.6338 14.44150 ?        ?        ?         ?        
1 1 1 29 15 8  o 70.02061 22.12204 53.32666   34.60560 53.32666   34.60560 ?          ?        70.02061 22.12204 ?        ?        ?         ?        
1 1 1 29 15 9  o 93.28036 17.97431 95.87454   32.33638 95.87454   32.33638 ?          ?        93.28036 17.97431 ?        ?        ?         ?        
1 1 1 29 15 10 o 43.08747 19.04847 -4.538440  32.33638 -4.538440  32.33638 ?          ?        43.08747 19.04847 ?        ?        ?         ?        
1 1 1 29 15 11 o 60.82751 20.07867 41.41326   28.36525 41.41326   28.36525 ?          ?        60.82751 20.07867 ?        ?        ?         ?        
1 1 1 29 15 12 o 51.52045 18.90699 26.66333   25.52872 26.66333   25.52872 ?          ?        51.52045 18.90699 ?        ?        ?         ?        
1 1 1 29 16 0  o 36.82477 25.23212 -27.23064  56.16319 -27.23064  56.16319 -27.23064  56.16319 36.82477 25.23212 36.82477 25.23212 -0.000000 0.000000 
1 1 1 29 16 1  o 69.66066 22.89322 49.35553   36.87482 49.35553   36.87482 ?          ?        69.66066 22.89322 ?        ?        ?         ?        
1 1 1 29 16 2  o 62.13609 23.66994 30.06716   40.84595 30.06716   40.84595 ?          ?        62.13609 23.66994 ?        ?        ?         ?        
1 1 1 29 16 3  o 42.17943 19.24179 -22.12490  36.30752 -22.12490  36.30752 ?          ?        42.17943 19.24179 ?        ?        ?         ?        
1 1 1 29 16 4  o 101.2829 21.90462 112.3264   43.11518 112.3264   43.11518 ?          ?        101.2829 21.90462 ?        ?        ?         ?        
1 1 1 29 16 5  o 96.40634 23.19679 102.6822   44.24979 102.6822   44.24979 ?          ?        96.40634 23.19679 ?        ?        ?         ?        
1 1 1 29 16 6  o 113.1269 15.04429 132.1821   34.03830 132.1821   34.03830 ?          ?        113.1269 15.04429 ?        ?        ?         ?        
1 1 1 29 16 7  o 124.2905 15.51878 160.5473   38.57674 160.5473   38.57674 ?          ?        124.2905 15.51878 ?        ?        ?         ?        
1 1 1 29 16 8  o 71.38389 20.91739 56.16319   31.76908 56.16319   31.76908 ?          ?        71.38389 20.91739 ?        ?        ?         ?        
1 1 1 29 16 9  o 121.2212 13.10376 152.6050   31.76908 152.6050   31.76908 ?          ?        121.2212 13.10376 ?        ?        ?         ?        
1 1 1 29 16 10 o 119.6545 14.46064 150.9031   34.60560 150.9031   34.60560 ?          ?        119.6545 14.46064 ?        ?        ?         ?        
1 1 1 29 16 11 o 68.03604 20.68277 53.89397   30.63447 53.89397   30.63447 ?          ?        68.03604 20.68277 ?        ?        ?         ?        
1 1 1 29 16 12 o 65.03898 20.84130 49.35553   30.63447 49.35553   30.63447 ?          ?        65.03898 20.84130 ?        ?        ?         ?        
1 1 1 29 17 0  f 83.30226 33.22144 99.27837   53.32666 99.27837   53.32666 99.27837   53.32666 83.30226 33.22144 83.30226 33.22144 -0.000000 0.000000 
1 1 1 29 17 1  o 88.49519 21.10163 84.52843   36.87482 84.52843   36.87482 ?          ?        88.49519 21.10163 ?        ?        ?         ?        
1 1 1 29 17 2  o 49.55175 21.68468 -6.240355  40.84595 -6.240355  40.84595 ?          ?        49.55175 21.68468 ?        ?        ?         ?        
1 1 1 29 17 3  o 129.4082 14.90506 171.3261   38.57674 171.3261   38.57674 ?          ?        129.4082 14.90506 ?        ?        ?         ?        
1 1 1 29 17 4  o 86.20907 24.29593 82.25922   43.68248 82.25922   43.68248 ?          ?        86.20907 24.29593 ?        ?        ?         ?        
1 1 1 29 17 5  o 159.3989 13.52430 259.8257   43.11518 259.8257   43.11518 ?          ?        159.3989 13.52430 ?        ?        ?         ?        
1 1 1 29 17 6  o 36.75596 17.37150 -36.87482  34.03830 -36.87482  34.03830 ?          ?        36.75596 17.37150 ?        ?        ?         ?        
1 1 1 29 17 7  o 98.17347 26.32414 111.1918   52.75936 111.1918   52.75936 ?          ?        98.17347 26.32414 ?        ?        ?         ?        
1 1 1 29 17 8  o 54.01486 21.34486 20.99029   34.03830 20.99029   34.03830 ?          ?        54.01486 21.34486 ?        ?        ?         ?        
1 1 1 29 17 9  o 85.66778 18.40896 81.69191   30.63447 81.69191   30.63447 ?          ?        85.66778 18.40896 ?        ?        ?         ?        
1 1 1 29 17 10 o 54.05197 20.52551 26.66333   30.63447 26.66333   30.63447 ?          ?        54.05197 20.52551 ?        ?        ?         ?        
1 1 1 29 17 11 o 39.77277 18.14798 -14.18262  32.33638 -14.18262  32.33638 ?          ?        39.77277 18.14798 ?        ?        ?         ?        
1 1 1 29 18 0  o 69.37615 29.08230 69.77851   40.27865 69.77851   40.27865 69.77851   40.27865 69.37615 29.08230 69.37615 29.08230 -0.000000 0.000000 
1 1 1 29 18 1  o 140.5545 13.72306 200.8260   38.57674 200.8260   38.57674 ?          ?        140.5545 13.72306 ?        ?        ?         ?        
1 1 1 29 18 2  o 79.58633 23.18599 68.07660   39.14404 68.07660   39.14404 ?          ?        79.58633 23.18599 ?        ?        ?         ?        
1 1 1 29 18 3  o 64.25365 22.64828 39.71135   36.30752 39.71135   36.30752 ?          ?        64.25365 22.64828 ?        ?        ?         ?        
1 1 1 29 18 4  f 68.29375 24.61880 44.24979   43.11518 44.24979   43.11518 ?          ?        68.29375 24.61880 ?        ?        ?         ?        
1 1 1 29 18 5  o 97.24269 20.73973 103.2495   39.14404 103.2495   39.14404 ?          ?        97.24269 20.73973 ?        ?        ?         ?        
1 1 1 29 18 6  o 90.38956 21.07905 90.20149   37.44213 90.20149   37.44213 ?          ?        90.38956 21.07905 ?        ?        ?         ?        
1 1 1 29 18 7  o 90.44761 27.42050 94.17262   53.89397 94.17262   53.89397 ?          ?        90.44761 27.42050 ?        ?        ?         ?        
1 1 1 29 18 8  o 59.27896 21.15606 34.60560   31.76908 34.60560   31.76908 ?          ?        59.27896 21.15606 ?        ?        ?         ?        
1 1 1 29 18 9  o 39.04984 17.66520 -11.34610  29.49986 -11.34610  29.49986 ?          ?        39.04984 17.66520 ?        ?        ?         ?        
1 1 1 29 18 10 o 46.78119 19.65948 9.076880   31.20177 9.076880   31.20177 ?          ?        46.78119 19.65948 ?        ?        ?         ?        
1 1 1 29 18 11 o 41.60778 18.44859 -3.971134  30.63447 -3.971134  30.63447 ?          ?        41.60778 18.44859 ?        ?        ?         ?        
1 1 1 29 19 0  o 36.94420 23.73117 5.105744   38.57674 5.105744   38.57674 5.105744   38.57674 36.94420 23.73117 36.94420 23.73117 -0.000000 0.000000 
1 1 1 29 19 1  o 50.05598 20.08575 13.61532   30.63447 13.61532   30.63447 ?          ?        50.05598 20.08575 ?        ?        ?         ?        
1 1 1 29 19 2  o 71.17973 22.48111 53.32666   35.74022 53.32666   35.74022 ?          ?        71.17973 22.48111 ?        ?        ?         ?        
1 1 1 29 19 3  o 69.33522 20.35973 51.62476   30.06716 51.62476   30.06716 ?          ?        69.33522 20.35973 ?        ?        ?         ?        
1 1 1 29 19 4  o 49.32608 20.98843 3.403830   36.30752 3.403830   36.30752 ?          ?        49.32608 20.98843 ?        ?        ?         ?        
1 1 1 29 19 5  f 59.78238 22.29695 31.20177   35.74022 31.20177   35.74022 ?          ?        59.78238 22.29695 ?        ?        ?         ?        
1 1 1 29 19 6  o 73.38708 21.69860 58.99971   34.03830 58.99971   34.03830 ?          ?        73.38708 21.69860 ?        ?        ?         ?        
1 1 1 29 19 7  o 54.91203 23.34057 7.942269   44.81709 7.942269   44.81709 ?          ?        54.91203 23.34057 ?        ?        ?         ?        
1 1 1 29 19 8  o 52.41997 20.90015 19.28837   32.90369 19.28837   32.90369 ?          ?        52.41997 20.90015 ?        ?        ?         ?        
1 1 1 29 19 9  o 79.21717 21.85836 73.18234   35.74022 73.18234   35.74022 ?          ?        79.21717 21.85836 ?        ?        ?         ?        
1 1 1 29 19 10 o 72.58897 19.22851 60.13433   28.36525 60.13433   28.36525 ?          ?        72.58897 19.22851 ?        ?        ?         ?        
1 1 1 29 19 11 o 84.11091 16.43634 78.85539   26.66333 78.85539   26.66333 ?          ?        84.11091 16.43634 ?        ?        ?         ?        
1 1 1 29 20 0  o 28.96685 19.97429 -20.99029  36.30752 -20.99029  36.30752 -20.99029  36.30752 28.96685 19.97429 28.96685 19.97429 -0.000000 0.000000 
1 1 1 29 20 1  o 30.34158 14.99397 -73.74965  33.47099 -73.74965  33.47099 ?          ?        30.34158 14.99397 ?        ?        ?         ?        
1 1 1 29 20 2  o 75.77569 20.47625 62.40355   31.76908 62.40355   31.76908 ?          ?        75.77569 20.47625 ?        ?        ?         ?        
1 1 1 29 20 3  o 58.35168 21.45998 30.06716   32.90369 30.06716   32.90369 ?          ?        58.35168 21.45998 ?        ?        ?         ?        
1 1 1 29 20 4  o 67.42616 21.59872 47.65361   32.90369 47.65361   32.90369 ?          ?        67.42616 21.59872 ?        ?        ?         ?        
1 1 1 29 20 5  o 107.2590 16.66071 119.7014   35.74022 119.7014   35.74022 ?          ?        107.2590 16.66071 ?        ?        ?         ?        
1 1 1 29 20 6  o 55.54522 21.89650 22.12490   35.74022 22.12490   35.74022 ?          ?        55.54522 21.89650 ?        ?        ?         ?        
1 1 1 29 20 7  o 126.2407 14.60497 165.0858   36.87482 165.0858   36.87482 ?          ?        126.2407 14.60497 ?        ?        ?         ?        
1 1 1 29 20 8  o 73.72140 22.95852 61.83624   37.44213 61.83624   37.44213 ?          ?        73.72140 22.95852 ?        ?        ?         ?        
1 1 1 29 20 9  o 115.7050 17.16059 144.0954   39.71135 144.0954   39.71135 ?          ?        115.7050 17.16059 ?        ?        ?         ?        
1 1 1 29 20 10 o 39.23962 18.07006 -18.72106  32.90369 -18.72106  32.90369 ?          ?        39.23962 18.07006 ?        ?        ?         ?        
1 1 1 29 20 11 o 85.55568 20.19315 85.66305   34.03830 85.66305   34.03830 ?          ?        85.55568 20.19315 ?        ?        ?         ?        
1 1 1 29 21 0  o 34.86277 22.95251 -2.269220  39.14404 -2.269220  39.14404 -2.269220  39.14404 34.86277 22.95251 34.86277 22.95251 -0.000000 0.000000 
1 1 1 29 21 1  o 48.96235 20.25980 9.076880   32.33638 9.076880   32.33638 ?          ?        48.96235 20.25980 ?        ?        ?         ?        
1 1 1 29 21 2  f 83.92411 17.15404 75.45156   27.79794 75.45156   27.79794 ?          ?        83.92411 17.15404 ?        ?        ?         ?        
1 1 1 29 21 3  o 191.9480 9.753198 372.7193   37.44213 372.7193   37.44213 ?          ?        191.9480 9.753198 ?        ?        ?         ?        
1 1 1 29 21 4  o 124.8926 11.81009 158.8454   29.49986 158.8454   29.49986 ?          ?        124.8926 11.81009 ?        ?        ?         ?        
1 1 1 29 21 5  o 156.9064 10.48513 250.1815   32.90369 250.1815   32.90369 ?          ?        156.9064 10.48513 ?        ?        ?         ?        
1 1 1 29 21 6  o 38.61690 17.83286 -22.69220  32.33638 -22.69220  32.33638 ?          ?        38.61690 17.83286 ?        ?        ?         ?        
1 1 1 29 21 7  o 53.68912 21.42516 19.28837   34.60560 19.28837   34.60560 ?          ?        53.68912 21.42516 ?        ?        ?         ?        
1 1 1 29 21 8  o 121.2161 18.01843 157.7108   43.68248 157.7108   43.68248 ?          ?        121.2161 18.01843 ?        ?        ?         ?        
1 1 1 29 21 9  o 97.89301 18.63593 106.6533   35.17290 106.6533   35.17290 ?          ?        97.89301 18.63593 ?        ?        ?         ?        
1 1 1 29 21 10 o 50.08355 20.85542 13.61532   34.60560 13.61532   34.60560 ?          ?        50.08355 20.85542 ?        ?        ?         ?        
1 1 1 29 21 11 o 57.16498 22.45078 30.63447   37.44213 30.63447   37.44213 ?          ?        57.16498 22.45078 ?        ?        ?         ?        
1 1 1 29 22 0  o 103.3357 24.35614 125.9417   43.68248 125.9417   43.68248 125.9417   43.68248 103.3357 24.35614 103.3357 24.35614 -0.000000 0.000000 
1 1 1 29 22 1  f 37.37566 17.66168 -38.57674  35.17290 -38.57674  35.17290 ?          ?        37.37566 17.66168 ?        ?        ?         ?        
1 1 1 29 22 2  o 46.21946 19.03400 8.509575   28.36525 8.509575   28.36525 ?          ?        46.21946 19.03400 ?        ?        ?         ?        
1 1 1 29 22 3  o 77.05878 20.58436 64.67276   32.33638 64.67276   32.33638 ?          ?        77.05878 20.58436 ?        ?        ?         ?        
1 1 1 29 22 4  o 81.59784 19.09135 72.61504   30.63447 72.61504   30.63447 ?          ?        81.59784 19.09135 ?        ?        ?         ?        
1 1 1 29 22 5  o 97.26048 15.74867 98.14376   30.63447 98.14376   30.63447 ?          ?        97.26048 15.74867 ?        ?        ?         ?        
1 1 1 29 22 6  o 37.15949 16.87425 -13.61532  27.23064 -13.61532  27.23064 ?          ?        37.15949 16.87425 ?        ?        ?         ?        
1 1 1 29 22 7  o 45.84180 19.66567 2.269220   32.33638 2.269220   32.33638 ?          ?        45.84180 19.66567 ?        ?        ?         ?        
1 1 1 29 22 8  f 47.49304 19.79162 9.644185   31.20177 9.644185   31.20177 ?          ?        47.49304 19.79162 ?        ?        ?         ?        
1 1 1 29 22 9  o 130.4216 12.61435 176.9992   32.90369 176.9992   32.90369 ?          ?        130.4216 12.61435 ?        ?        ?         ?        
1 1 1 29 22 10 o 41.84487 18.57796 -4.538440  31.20177 -4.538440  31.20177 ?          ?        41.84487 18.57796 ?        ?        ?         ?        
1 1 1 29 22 11 o 62.37653 20.47632 44.81709   29.49986 44.81709   29.49986 ?          ?        62.37653 20.47632 ?        ?        ?         ?        
1 1 1 29 23 0  o 67.18481 28.02510 65.80738   37.44213 65.80738   37.44213 65.80738   37.44213 67.18481 28.02510 67.18481 28.02510 -0.000000 0.000000 
1 1 1 29 23 1  o 51.24226 20.24942 17.01915   30.63447 17.01915   30.63447 ?          ?        51.24226 20.24942 ?        ?        ?         ?        
1 1 1 29 23 2  o 58.34740 20.77972 31.76908   30.63447 31.76908   30.63447 ?          ?        58.34740 20.77972 ?        ?        ?         ?        
1 1 1 29 23 3  o 243.6697 9.079869 600.2086   44.24979 600.2086   44.24979 ?          ?        243.6697 9.079869 ?        ?        ?         ?        
1 1 1 29 23 4  o 77.76923 19.96140 66.37468   31.20177 66.37468   31.20177 ?          ?        77.76923 19.96140 ?        ?        ?         ?        
1 1 1 29 23 5  o 66.09668 21.22812 46.51900   31.76908 46.51900   31.76908 ?          ?        66.09668 21.22812 ?        ?        ?         ?        
1 1 1 29 23 6  o 94.95009 17.04995 97.00916   31.20177 97.00916   31.20177 ?          ?        94.95009 17.04995 ?        ?        ?         ?        
1 1 1 29 23 7  o 42.45692 18.41365 -0.5673050 28.93255 -0.5673050 28.93255 ?          ?        42.45692 18.41365 ?        ?        ?         ?        
1 1 1 29 23 8  o 36.17662 17.08913 -32.90369  32.90369 -32.90369  32.90369 ?          ?        36.17662 17.08913 ?        ?        ?         ?        
1 1 1 29 23 9  o 54.14452 23.02963 12.48071   43.68248 12.48071   43.68248 ?          ?        54.14452 23.02963 ?        ?        ?         ?        
1 1 1 29 23 10 o 61.69656 21.74574 41.98057   33.47099 41.98057   33.47099 ?          ?        61.69656 21.74574 ?        ?        ?         ?        
1 1 1 29 23 11 o 162.5568 11.69112 276.8448   38.00943 276.8448   38.00943 ?          ?        162.5568 11.69112 ?        ?        ?         ?        
1 1 1 29 24 0  o 17.73170 13.22490 -108.9226  35.17290 -108.9226  35.17290 -108.9226  35.17290 17.73170 13.22490 17.73170 13.22490 -0.000000 0.000000 
1 1 1 29 24 1  o 103.6967 15.31827 110.6245   31.76908 110.6245   31.76908 ?          ?        103.6967 15.31827 ?        ?        ?         ?        
1 1 1 29 24 2  o 55.87473 21.38534 24.39412   33.47099 24.39412   33.47099 ?          ?        55.87473 21.38534 ?        ?        ?         ?        
1 1 1 29 24 3  o 107.0107 14.57881 117.9994   31.20177 117.9994   31.20177 ?          ?        107.0107 14.57881 ?        ?        ?         ?        
1 1 1 29 24 4  o 79.54955 19.10910 69.21120   30.06716 69.21120   30.06716 ?          ?        79.54955 19.10910 ?        ?        ?         ?        
1 1 1 29 24 5  o 113.8974 13.94635 133.8840   31.76908 133.8840   31.76908 ?          ?        113.8974 13.94635 ?        ?        ?         ?        
1 1 1 29 24 6  o 70.48376 21.21419 54.46128   32.33638 54.46128   32.33638 ?          ?        70.48376 21.21419 ?        ?        ?         ?        
1 1 1 29 24 7  o 124.5416 12.52664 160.5473   31.20177 160.5473   31.20177 ?          ?        124.5416 12.52664 ?        ?        ?         ?        
1 1 1 29 24 8  o 71.88543 21.57252 59.56702   33.47099 59.56702   33.47099 ?          ?        71.88543 21.57252 ?        ?        ?         ?        
1 1 1 29 24 9  o 35.88127 17.12647 -37.44213  34.03830 -37.44213  34.03830 ?          ?        35.88127 17.12647 ?        ?        ?         ?        
1 1 1 29 24 10 o 41.67884 18.95205 -12.48071  34.60560 -12.48071  34.60560 ?          ?        41.67884 18.95205 ?        ?        ?         ?        
1 1 1 29 25 0  o 163.7300 12.80070 275.7102   41.41326 275.7102   41.41326 275.7102   41.41326 163.7300 12.80070 163.7300 12.80070 -0.000000 0.000000 
1 1 1 29 25 1  o 66.29542 20.79101 46.51900   30.63447 46.51900   30.63447 ?          ?        66.29542 20.79101 ?        ?        ?         ?        
1 1 1 29 25 2  o 35.12251 16.45055 -26.66333  28.93255 -26.66333  28.93255 ?          ?        35.12251 16.45055 ?        ?        ?         ?        
1 1 1 29 25 3  f 139.7442 11.56984 199.1240   32.33638 199.1240   32.33638 ?          ?        139.7442 11.56984 ?        ?        ?         ?        
1 1 1 29 25 4  o 84.67471 20.87469 79.42269   35.17290 79.42269   35.17290 ?          ?        84.67471 20.87469 ?        ?        ?         ?        
1 1 1 29 25 5  o 151.2226 10.87922 233.1623   32.90369 233.1623   32.90369 ?          ?        151.2226 10.87922 ?        ?        ?         ?        
1 1 1 29 25 6  o 48.94189 19.43925 15.88454   28.36525 15.88454   28.36525 ?          ?        48.94189 19.43925 ?        ?        ?         ?        
1 1 1 29 25 7  o 86.18045 17.39548 81.69191   28.93255 81.69191   28.93255 ?          ?        86.18045 17.39548 ?        ?        ?         ?        
1 1 1 29 25 8  o 102.4592 16.61066 112.3264   34.03830 112.3264   34.03830 ?          ?        102.4592 16.61066 ?        ?        ?         ?        
1 1 1 29 25 9  o 45.12349 19.77068 -0.5673050 34.03830 -0.5673050 34.03830 ?          ?        45.12349 19.77068 ?        ?        ?         ?        
1 1 1 29 25 10 o 50.44960 20.92198 15.31723   34.60560 15.31723   34.60560 ?          ?        50.44960 20.92198 ?        ?        ?         ?        
1 1 1 29 26 0  f 90.23072 24.41488 99.84568   38.00943 99.84568   38.00943 99.84568   38.00943 90.23072 24.41488 90.23072 24.41488 -0.000000 0.000000 
1 1 1 29 26 1  o 82.23524 17.75126 73.18234   28.36525 73.18234   28.36525 ?          ?        82.23524 17.75126 ?        ?        ?         ?        
1 1 1 29 26 2  f 46.75851 18.86456 11.91340   27.23064 11.91340   27.23064 ?          ?        46.75851 18.86456 ?        ?        ?         ?        
1 1 1 29 26 3  o 43.89249 19.25042 -4.538440  32.33638 -4.538440  32.33638 ?          ?        43.89249 19.25042 ?        ?        ?         ?        
1 1 1 29 26 4  o 99.82024 13.63984 102.6822   27.23064 102.6822   27.23064 ?          ?        99.82024 13.63984 ?        ?        ?         ?        
1 1 1 29 26 5  o 64.86509 20.84690 44.81709   30.63447 44.81709   30.63447 ?          ?        64.86509 20.84690 ?        ?        ?         ?        
1 1 1 29 26 6  o 42.86838 18.10175 4.538440   26.66333 4.538440   26.66333 ?          ?        42.86838 18.10175 ?        ?        ?         ?        
1 1 1 29 26 7  o 63.20289 21.62539 42.54787   32.90369 42.54787   32.90369 ?          ?        63.20289 21.62539 ?        ?        ?         ?        
1 1 1 29 26 8  o 35.23461 16.59698 -29.49986  30.63447 -29.49986  30.63447 ?          ?        35.23461 16.59698 ?        ?        ?         ?        
1 1 1 29 26 9  o 114.6386 16.82537 142.3935   38.57674 142.3935   38.57674 ?          ?        114.6386 16.82537 ?        ?        ?         ?        
1 1 1 29 26 10 o 77.44579 22.71303 72.61504   37.44213 72.61504   37.44213 ?          ?        77.44579 22.71303 ?        ?        ?         ?        
1 1 1 29 27 0  o 126.3732 17.05028 166.7877   42.54787 166.7877   42.54787 166.7877   42.54787 126.3732 17.05028 126.3732 17.05028 -0.000000 0.000000 
1 1 1 29 27 1  o 36.11661 16.55052 -17.58645  27.23064 -17.58645  27.23064 ?          ?        36.11661 16.55052 ?        ?        ?         ?        
1 1 1 29 27 2  o 131.9835 11.39050 177.5665   30.06716 177.5665   30.06716 ?          ?        131.9835 11.39050 ?        ?        ?         ?        
1 1 1 29 27 3  o 112.9533 14.06293 131.6148   31.76908 131.6148   31.76908 ?          ?        112.9533 14.06293 ?        ?        ?         ?        
1 1 1 29 27 4  o 50.32814 19.28133 19.85567   27.23064 19.85567   27.23064 ?          ?        50.32814 19.28133 ?        ?        ?         ?        
1 1 1 29 27 5  o 93.43726 15.17877 90.76879   28.36525 90.76879   28.36525 ?          ?        93.43726 15.17877 ?        ?        ?         ?        
1 1 1 29 27 6  o 59.27815 20.07869 36.87482   28.36525 36.87482   28.36525 ?          ?        59.27815 20.07869 ?        ?        ?         ?        
1 1 1 29 27 7  o 65.89628 19.38377 48.78823   27.23064 48.78823   27.23064 ?          ?        65.89628 19.38377 ?        ?        ?         ?        
1 1 1 29 27 8  o 135.8673 11.48244 191.1818   31.20177 191.1818   31.20177 ?          ?        135.8673 11.48244 ?        ?        ?         ?        
1 1 1 29 27 9  o 41.35932 18.61374 -8.509575  32.33638 -8.509575  32.33638 ?          ?        41.35932 18.61374 ?        ?        ?         ?        
1 1 1 29 27 10 o 38.12312 17.28001 -9.644185  28.36525 -9.644185  28.36525 ?          ?        38.12312 17.28001 ?        ?        ?         ?        
1 1 1 29 28 0  o 49.65661 27.32137 37.44213   38.57674 37.44213   38.57674 37.44213   38.57674 49.65661 27.32137 49.65661 27.32137 -0.000000 0.000000 
1 1 1 29 28 1  o 81.29457 18.54686 72.04772   29.49986 72.04772   29.49986 ?          ?        81.29457 18.54686 ?        ?        ?         ?        
1 1 1 29 28 2  o 37.54068 16.97788 -12.48071  27.23064 -12.48071  27.23064 ?          ?        37.54068 16.97788 ?        ?        ?         ?        
1 1 1 29 28 3  f 92.66953 14.99843 89.06688   27.79794 89.06688   27.79794 ?          ?        92.66953 14.99843 ?        ?        ?         ?        
1 1 1 29 28 4  o 66.20585 19.35475 47.65361   27.23064 47.65361   27.23064 ?          ?        66.20585 19.35475 ?        ?        ?         ?        
1 1 1 29 28 5  o 169.5284 8.867887 291.5948   30.06716 291.5948   30.06716 ?          ?        169.5284 8.867887 ?        ?        ?         ?        
1 1 1 29 28 6  o 78.36318 17.77896 68.07660   27.23064 68.07660   27.23064 ?          ?        78.36318 17.77896 ?        ?        ?         ?        
1 1 1 29 28 7  o 120.1303 11.33379 149.2012   27.23064 149.2012   27.23064 ?          ?        120.1303 11.33379 ?        ?        ?         ?        
1 1 1 29 28 8  o 44.38112 18.80409 6.240355   28.93255 6.240355   28.93255 ?          ?        44.38112 18.80409 ?        ?        ?         ?        
1 1 1 29 28 9  o 108.5679 14.10844 125.3744   30.63447 125.3744   30.63447 ?          ?        108.5679 14.10844 ?        ?        ?         ?        
1 1 1 29 28 10 o 35.57715 16.68254 -23.82681  30.06716 -23.82681  30.06716 ?          ?        35.57715 16.68254 ?        ?        ?         ?        
1 1 1 29 29 0  o 160.9498 16.34180 272.3064   51.62476 272.3064   51.62476 272.3064   51.62476 160.9498 16.34180 160.9498 16.34180 -0.000000 0.000000 
1 1 1 29 29 1  o 60.59984 20.07866 38.00943   28.36525 38.00943   28.36525 ?          ?        60.59984 20.07866 ?        ?        ?         ?        
1 1 1 29 29 2  o 52.25873 18.93335 24.96142   25.52872 24.96142   25.52872 ?          ?        52.25873 18.93335 ?        ?        ?         ?        
1 1 1 29 29 3  o 124.4234 11.62666 158.2781   28.93255 158.2781   28.93255 ?          ?        124.4234 11.62666 ?        ?        ?         ?        
1 1 1 29 29 4  o 51.99010 19.60788 22.69220   27.79794 22.69220   27.79794 ?          ?        51.99010 19.60788 ?        ?        ?         ?        
1 1 1 29 29 5  o 73.05974 19.17147 59.56702   28.36525 59.56702   28.36525 ?          ?        73.05974 19.17147 ?        ?        ?         ?        
1 1 1 29 29 6  o 29.68447 14.35647 -39.14404  26.09603 -39.14404  26.09603 ?          ?        29.68447 14.35647 ?        ?        ?         ?        
1 1 1 29 29 7  o 41.17751 18.04488 -2.269220  28.36525 -2.269220  28.36525 ?          ?        41.17751 18.04488 ?        ?        ?         ?        
1 1 1 29 29 8  o 50.35130 20.69587 15.31723   33.47099 15.31723   33.47099 ?          ?        50.35130 20.69587 ?        ?        ?         ?        
1 1 1 29 29 9  o 30.33221 14.56210 -32.33638  25.52872 -32.33638  25.52872 ?          ?        30.33221 14.56210 ?        ?        ?         ?        
1 1 1 29 30 0  o 28.25297 19.83842 -34.03830  40.27865 -34.03830  40.27865 -34.03830  40.27865 28.25297 19.83842 28.25297 19.83842 -0.000000 0.000000 
1 1 1 29 30 1  o 38.25242 17.47155 -17.58645  30.06716 -17.58645  30.06716 ?          ?        38.25242 17.47155 ?        ?        ?         ?        
1 1 1 29 30 2  f 60.43201 19.87687 38.00943   27.79794 38.00943   27.79794 ?          ?        60.43201 19.87687 ?        ?        ?         ?        
1 1 1 29 30 3  o 153.8120 9.958416 240.5373   30.63447 240.5373   30.63447 ?          ?        153.8120 9.958416 ?        ?        ?         ?        
1 1 1 29 30 4  o 66.31871 19.34417 48.22092   27.23064 48.22092   27.23064 ?          ?        66.31871 19.34417 ?        ?        ?         ?        
1 1 1 29 30 5  o 45.94444 18.49578 13.04801   26.09603 13.04801   26.09603 ?          ?        45.94444 18.49578 ?        ?        ?         ?        
1 1 1 29 30 6  o 40.08081 17.43696 -0.5673050 26.09603 -0.5673050 26.09603 ?          ?        40.08081 17.43696 ?        ?        ?         ?        
1 1 1 29 30 7  o 65.79642 19.39312 48.78823   27.23064 48.78823   27.23064 ?          ?        65.79642 19.39312 ?        ?        ?         ?        
1 1 1 29 30 8  o 71.40571 21.38092 59.56702   32.90369 59.56702   32.90369 ?          ?        71.40571 21.38092 ?        ?        ?         ?        
1 1 1 29 30 9  o 77.83820 16.53277 68.07660   24.96142 68.07660   24.96142 ?          ?        77.83820 16.53277 ?        ?        ?         ?        
1 1 1 29 31 0  o 55.25785 28.74681 48.22092   40.84595 48.22092   40.84595 48.22092   40.84595 55.25785 28.74681 55.25785 28.74681 -0.000000 0.000000 
1 1 1 29 31 1  o 167.3433 8.814174 283.6525   29.49986 283.6525   29.49986 ?          ?        167.3433 8.814174 ?        ?        ?         ?        
1 1 1 29 31 2  o 50.33624 19.58919 18.72106   28.36525 18.72106   28.36525 ?          ?        50.33624 19.58919 ?        ?        ?         ?        
1 1 1 29 31 3  o 186.5948 8.664867 352.8637   32.33638 352.8637   32.33638 ?          ?        186.5948 8.664867 ?        ?        ?         ?        
1 1 1 29 31 4  o 44.40188 18.60306 6.807660   27.79794 6.807660   27.79794 ?          ?        44.40188 18.60306 ?        ?        ?         ?        
1 1 1 29 31 5  o 80.81450 17.34748 72.04772   27.23064 72.04772   27.23064 ?          ?        80.81450 17.34748 ?        ?        ?         ?        
1 1 1 29 31 6  o 82.21415 17.75521 75.45156   28.36525 75.45156   28.36525 ?          ?        82.21415 17.75521 ?        ?        ?         ?        
1 1 1 29 31 7  f 51.14423 18.50997 25.52872   24.39412 25.52872   24.39412 ?          ?        51.14423 18.50997 ?        ?        ?         ?        
1 1 1 29 31 8  o 38.79073 17.69019 -13.61532  30.63447 -13.61532  30.63447 ?          ?        38.79073 17.69019 ?        ?        ?         ?        
1 1 1 29 31 9  o 68.11360 19.96259 54.46128   28.93255 54.46128   28.93255 ?          ?        68.11360 19.96259 ?        ?        ?         ?        
1 1 1 29 32 0  o 50.13137 26.66111 39.14404   35.74022 39.14404   35.74022 39.14404   35.74022 50.13137 26.66111 50.13137 26.66111 -0.000000 0.000000 
1 1 1 29 32 1  o 187.7499 8.460478 356.8348   31.76908 356.8348   31.76908 ?          ?        187.7499 8.460478 ?        ?        ?         ?        
1 1 1 29 32 2  o 167.6487 9.813283 285.9217   32.90369 285.9217   32.90369 ?          ?        167.6487 9.813283 ?        ?        ?         ?        
1 1 1 29 32 3  o 80.01984 17.49649 70.34581   27.23064 70.34581   27.23064 ?          ?        80.01984 17.49649 ?        ?        ?         ?        
1 1 1 29 32 4  o 99.00097 12.60665 101.5476   24.96142 101.5476   24.96142 ?          ?        99.00097 12.60665 ?        ?        ?         ?        
1 1 1 29 32 5  o 110.2549 13.37803 127.0763   29.49986 127.0763   29.49986 ?          ?        110.2549 13.37803 ?        ?        ?         ?        
1 1 1 29 32 6  o 40.15343 17.45225 -0.5673050 26.09603 -0.5673050 26.09603 ?          ?        40.15343 17.45225 ?        ?        ?         ?        
1 1 1 29 32 7  o 44.25513 18.67811 6.807660   28.36525 6.807660   28.36525 ?          ?        44.25513 18.67811 ?        ?        ?         ?        
1 1 1 29 32 8  o 36.08501 16.67827 -17.58645  28.36525 -17.58645  28.36525 ?          ?        36.08501 16.67827 ?        ?        ?         ?        
1 1 1 29 32 9  o 65.91569 19.11427 50.49014   26.66333 50.49014   26.66333 ?          ?        65.91569 19.11427 ?        ?        ?         ?        
1 1 1 29 33 0  o 84.43790 26.15896 92.47070   38.57674 92.47070   38.57674 92.47070   38.57674 84.43790 26.15896 84.43790 26.15896 -0.000000 0.000000 
1 1 1 29 33 1  o 46.60890 19.32235 9.076880   29.49986 9.076880   29.49986 ?          ?        46.60890 19.32235 ?        ?        ?         ?        
1 1 1 29 33 2  o 65.08022 19.68559 46.51900   27.79794 46.51900   27.79794 ?          ?        65.08022 19.68559 ?        ?        ?         ?        
1 1 1 29 33 3  o 51.20595 19.37889 22.69220   27.23064 22.69220   27.23064 ?          ?        51.20595 19.37889 ?        ?        ?         ?        
1 1 1 29 33 4  o 53.86662 19.55050 27.79794   27.23064 27.79794   27.23064 ?          ?        53.86662 19.55050 ?        ?        ?         ?        
1 1 1 29 33 5  o 72.69347 18.33108 59.56702   26.66333 59.56702   26.66333 ?          ?        72.69347 18.33108 ?        ?        ?         ?        
1 1 1 29 33 6  o 35.08220 16.05495 -14.18262  25.52872 -14.18262  25.52872 ?          ?        35.08220 16.05495 ?        ?        ?         ?        
1 1 1 29 33 7  o 63.00205 20.47630 44.81709   29.49986 44.81709   29.49986 ?          ?        63.00205 20.47630 ?        ?        ?         ?        
1 1 1 29 33 8  f 38.30396 16.99997 -4.538440  26.09603 -4.538440  26.09603 ?          ?        38.30396 16.99997 ?        ?        ?         ?        
1 1 1 29 34 0  o 28.87568 20.76823 -64.10546  51.62476 -64.10546  51.62476 -64.10546  51.62476 28.87568 20.76823 28.87568 20.76823 -0.000000 0.000000 
1 1 1 29 34 1  f 162.1224 9.272983 267.7679   30.06716 267.7679   30.06716 ?          ?        162.1224 9.272983 ?        ?        ?         ?        
1 1 1 29 34 2  o 77.65562 17.88947 66.94199   27.23064 66.94199   27.23064 ?          ?        77.65562 17.88947 ?        ?        ?         ?        
1 1 1 29 34 3  o 57.81940 19.87099 34.60560   27.79794 34.60560   27.79794 ?          ?        57.81940 19.87099 ?        ?        ?         ?        
1 1 1 29 34 4  o 37.71623 17.10040 -11.34610  27.79794 -11.34610  27.79794 ?          ?        37.71623 17.10040 ?        ?        ?         ?        
1 1 1 29 34 5  o 66.71345 18.77141 49.92284   26.09603 49.92284   26.09603 ?          ?        66.71345 18.77141 ?        ?        ?         ?        
1 1 1 29 34 6  o 49.06162 19.01311 19.85567   26.66333 19.85567   26.66333 ?          ?        49.06162 19.01311 ?        ?        ?         ?        
1 1 1 29 34 7  o 48.69647 18.98392 19.85567   26.66333 19.85567   26.66333 ?          ?        48.69647 18.98392 ?        ?        ?         ?        
1 1 1 29 34 8  o 34.52752 15.75675 -11.91340  24.39412 -11.91340  24.39412 ?          ?        34.52752 15.75675 ?        ?        ?         ?        
1 1 1 29 35 0  o 18.30748 13.58599 -88.49958  33.47099 -88.49958  33.47099 -88.49958  33.47099 18.30748 13.58599 18.30748 13.58599 -0.000000 0.000000 
1 1 1 29 35 1  o 133.1836 11.50084 182.6722   30.63447 182.6722   30.63447 ?          ?        133.1836 11.50084 ?        ?        ?         ?        
1 1 1 29 35 2  o 61.54480 19.16693 41.41326   26.09603 41.41326   26.09603 ?          ?        61.54480 19.16693 ?        ?        ?         ?        
1 1 1 29 35 3  o 95.36620 14.57432 95.87454   27.79794 95.87454   27.79794 ?          ?        95.36620 14.57432 ?        ?        ?         ?        
1 1 1 29 35 4  o 72.26572 18.98602 58.99971   27.79794 58.99971   27.79794 ?          ?        72.26572 18.98602 ?        ?        ?         ?        
1 1 1 29 35 5  o 77.83251 19.36926 69.21120   30.06716 69.21120   30.06716 ?          ?        77.83251 19.36926 ?        ?        ?         ?        
1 1 1 29 35 6  o 41.11480 17.75194 1.701915   26.66333 1.701915   26.66333 ?          ?        41.11480 17.75194 ?        ?        ?         ?        
1 1 1 29 35 7  o 32.69244 15.49178 -27.79794  27.23064 -27.79794  27.23064 ?          ?        32.69244 15.49178 ?        ?        ?         ?        
1 1 1 29 35 8  o 144.5037 10.01101 216.1432   28.93255 216.1432   28.93255 ?          ?        144.5037 10.01101 ?        ?        ?         ?        
1 1 1 29 36 0  o 125.8670 16.20593 170.7588   39.71135 170.7588   39.71135 170.7588   39.71135 125.8670 16.20593 125.8670 16.20593 -0.000000 0.000000 
1 1 1 29 36 1  o 149.4795 9.867528 228.6239   29.49986 228.6239   29.49986 ?          ?        149.4795 9.867528 ?        ?        ?         ?        
1 1 1 29 36 2  o 79.27507 19.44329 71.48043   30.63447 71.48043   30.63447 ?          ?        79.27507 19.44329 ?        ?        ?         ?        
1 1 1 29 36 3  o 74.18803 17.15260 61.26894   24.96142 61.26894   24.96142 ?          ?        74.18803 17.15260 ?        ?        ?         ?        
1 1 1 29 36 4  o 100.0927 12.75253 104.3841   25.52872 104.3841   25.52872 ?          ?        100.0927 12.75253 ?        ?        ?         ?        
1 1 1 29 36 5  o 44.06878 18.21546 9.644185   26.09603 9.644185   26.09603 ?          ?        44.06878 18.21546 ?        ?        ?         ?        
1 1 1 29 36 6  o 67.36126 18.98103 52.19205   26.66333 52.19205   26.66333 ?          ?        67.36126 18.98103 ?        ?        ?         ?        
1 1 1 29 36 7  o 45.36795 18.77914 11.34610   27.79794 11.34610   27.79794 ?          ?        45.36795 18.77914 ?        ?        ?         ?        
1 1 1 29 37 0  o 32.58874 22.16753 -13.61532  41.98057 -13.61532  41.98057 -13.61532  41.98057 32.58874 22.16753 32.58874 22.16753 -0.000000 0.000000 
1 1 1 29 37 1  o 108.6106 12.79707 123.1052   27.79794 123.1052   27.79794 ?          ?        108.6106 12.79707 ?        ?        ?         ?        
1 1 1 29 37 2  o 33.10091 15.90605 -39.71135  30.63447 -39.71135  30.63447 ?          ?        33.10091 15.90605 ?        ?        ?         ?        
1 1 1 29 37 3  o 26.56005 13.18279 -60.13433  26.66333 -60.13433  26.66333 ?          ?        26.56005 13.18279 ?        ?        ?         ?        
1 1 1 29 37 4  o 42.00568 17.72372 5.673049   25.52872 5.673049   25.52872 ?          ?        42.00568 17.72372 ?        ?        ?         ?        
1 1 1 29 37 5  o 51.60834 19.09140 25.52872   26.09603 25.52872   26.09603 ?          ?        51.60834 19.09140 ?        ?        ?         ?        
1 1 1 29 37 6  o 67.47634 18.40999 52.19205   25.52872 52.19205   25.52872 ?          ?        67.47634 18.40999 ?        ?        ?         ?        
1 1 1 29 37 7  o 78.32404 17.13016 69.77851   26.09603 69.77851   26.09603 ?          ?        78.32404 17.13016 ?        ?        ?         ?        
1 1 1 29 38 0  o 32.38366 21.41801 -1.701915  34.60560 -1.701915  34.60560 -1.701915  34.60560 32.38366 21.41801 32.38366 21.41801 -0.000000 0.000000 
1 1 1 29 38 1  o 71.55501 19.35385 57.86510   28.36525 57.86510   28.36525 ?          ?        71.55501 19.35385 ?        ?        ?         ?        
1 1 1 29 38 2  o 70.48923 18.91676 56.16319   27.23064 56.16319   27.23064 ?          ?        70.48923 18.91676 ?        ?        ?         ?        
1 1 1 29 38 3  o 79.31786 20.29879 72.61504   32.33638 72.61504   32.33638 ?          ?        79.31786 20.29879 ?        ?        ?         ?        
1 1 1 29 38 4  o 47.01476 19.14242 13.61532   28.36525 13.61532   28.36525 ?          ?        47.01476 19.14242 ?        ?        ?         ?        
1 1 1 29 38 5  o 38.57833 17.23003 -6.240355  27.23064 -6.240355  27.23064 ?          ?        38.57833 17.23003 ?        ?        ?         ?        
1 1 1 29 38 6  f 125.5700 11.06870 163.9511   27.79794 163.9511   27.79794 ?          ?        125.5700 11.06870 ?        ?        ?         ?        
1 1 1 29 38 7  o 57.37476 19.67211 36.30752   27.23064 36.30752   27.23064 ?          ?        57.37476 19.67211 ?        ?        ?         ?        
1 1 1 29 39 0  o 40.30707 24.81489 18.72106   38.00943 18.72106   38.00943 18.72106   38.00943 40.30707 24.81489 40.30707 24.81489 -0.000000 0.000000 
1 1 1 29 39 1  f 83.03405 16.98358 76.58617   27.23064 76.58617   27.23064 ?          ?        83.03405 16.98358 ?        ?        ?         ?        
1 1 1 29 39 2  o 28.82580 14.07085 -45.38440  26.66333 -45.38440  26.66333 ?          ?        28.82580 14.07085 ?        ?        ?         ?        
1 1 1 29 39 3  o 28.46014 13.93206 -47.65361  26.66333 -47.65361  26.66333 ?          ?        28.46014 13.93206 ?        ?        ?         ?        
1 1 1 29 39 4  o 67.01022 19.27930 51.62476   27.23064 51.62476   27.23064 ?          ?        67.01022 19.27930 ?        ?        ?         ?        
1 1 1 29 39 5  f 84.29997 16.05566 78.85539   26.09603 78.85539   26.09603 ?          ?        84.29997 16.05566 ?        ?        ?         ?        
1 1 1 29 39 6  o 69.73473 18.13624 56.16319   25.52872 56.16319   25.52872 ?          ?        69.73473 18.13624 ?        ?        ?         ?        
1 1 1 29 40 0  o 61.62021 28.53366 60.70163   38.57674 60.70163   38.57674 60.70163   38.57674 61.62021 28.53366 61.62021 28.53366 -0.000000 0.000000 
1 1 1 29 40 1  o 75.42272 17.91752 64.10546   26.66333 64.10546   26.66333 ?          ?        75.42272 17.91752 ?        ?        ?         ?        
1 1 1 29 40 2  o 111.8074 12.43117 130.4801   27.79794 130.4801   27.79794 ?          ?        111.8074 12.43117 ?        ?        ?         ?        
1 1 1 29 40 3  o 112.3575 12.37032 132.1821   27.79794 132.1821   27.79794 ?          ?        112.3575 12.37032 ?        ?        ?         ?        
1 1 1 29 40 4  o 103.0292 13.49033 112.3264   27.79794 112.3264   27.79794 ?          ?        103.0292 13.49033 ?        ?        ?         ?        
1 1 1 29 40 5  o 49.69405 19.06754 22.12490   26.66333 22.12490   26.66333 ?          ?        49.69405 19.06754 ?        ?        ?         ?        
1 1 1 29 40 6  o 111.5225 12.97162 131.6148   28.93255 131.6148   28.93255 ?          ?        111.5225 12.97162 ?        ?        ?         ?        
1 1 1 29 41 0  o 54.96766 27.92365 49.92284   38.00943 49.92284   38.00943 49.92284   38.00943 54.96766 27.92365 54.96766 27.92365 -0.000000 0.000000 
1 1 1 29 41 1  o 36.76585 16.74301 -12.48071  27.23064 -12.48071  27.23064 ?          ?        36.76585 16.74301 ?        ?        ?         ?        
1 1 1 29 41 2  o 71.52563 19.07570 58.99971   27.79794 58.99971   27.79794 ?          ?        71.52563 19.07570 ?        ?        ?         ?        
1 1 1 29 41 3  o 54.49965 19.93659 30.06716   28.36525 30.06716   28.36525 ?          ?        54.49965 19.93659 ?        ?        ?         ?        
1 1 1 29 41 4  o 32.88814 15.48942 -24.96142  26.66333 -24.96142  26.66333 ?          ?        32.88814 15.48942 ?        ?        ?         ?        
1 1 1 29 41 5  o 103.1326 13.20176 112.8937   27.23064 112.8937   27.23064 ?          ?        103.1326 13.20176 ?        ?        ?         ?        
1 1 1 29 42 0  f 65.65674 30.17826 70.34581   43.11518 70.34581   43.11518 70.34581   43.11518 65.65674 30.17826 65.65674 30.17826 -0.000000 0.000000 
1 1 1 29 42 1  f 46.52988 19.20300 12.48071   28.93255 12.48071   28.93255 ?          ?        46.52988 19.20300 ?        ?        ?         ?        
1 1 1 29 42 2  o 173.9373 9.295416 310.8831   32.33638 310.8831   32.33638 ?          ?        173.9373 9.295416 ?        ?        ?         ?        
1 1 1 29 42 3  o 80.79418 18.62500 74.88425   29.49986 74.88425   29.49986 ?          ?        80.79418 18.62500 ?        ?        ?         ?        
1 1 1 29 42 4  o 35.85227 16.48006 -14.74993  27.23064 -14.74993  27.23064 ?          ?        35.85227 16.48006 ?        ?        ?         ?        
1 1 1 29 43 0  f 37.63793 24.20169 9.644185   40.27865 9.644185   40.27865 9.644185   40.27865 37.63793 24.20169 37.63793 24.20169 -0.000000 0.000000 
1 1 1 29 43 1  o 80.61773 17.06058 73.18234   26.66333 73.18234   26.66333 ?          ?        80.61773 17.06058 ?        ?        ?         ?        
1 1 1 29 43 2  o 38.14934 17.12913 -7.374964  27.23064 -7.374964  27.23064 ?          ?        38.14934 17.12913 ?        ?        ?         ?        
1 1 1 29 43 3  o 38.74737 17.04839 -1.701915  25.52872 -1.701915  25.52872 ?          ?        38.74737 17.04839 ?        ?        ?         ?        
1 1 1 29 43 4  o 50.14055 18.64711 24.39412   24.96142 24.39412   24.96142 ?          ?        50.14055 18.64711 ?        ?        ?         ?        
1 1 1 29 44 0  f 81.95653 32.68754 104.3841   51.62476 104.3841   51.62476 104.3841   51.62476 81.95653 32.68754 81.95653 32.68754 -0.000000 0.000000 
1 1 1 29 44 1  o 64.12174 19.50131 47.65361   27.23064 47.65361   27.23064 ?          ?        64.12174 19.50131 ?        ?        ?         ?        
1 1 1 29 44 2  o 31.73153 15.01915 -25.52872  25.52872 -25.52872  25.52872 ?          ?        31.73153 15.01915 ?        ?        ?         ?        
1 1 1 29 44 3  o 38.49344 17.37263 -8.509575  28.36525 -8.509575  28.36525 ?          ?        38.49344 17.37263 ?        ?        ?         ?        
1 1 1 29 45 0  o 21.99181 16.08956 -66.94199  37.44213 -66.94199  37.44213 -66.94199  37.44213 21.99181 16.08956 21.99181 16.08956 -0.000000 0.000000 
1 1 1 29 45 1  o 71.93819 19.58631 60.70163   28.93255 60.70163   28.93255 ?          ?        71.93819 19.58631 ?        ?        ?         ?        
1 1 1 30 0  0  o 32.80550 24.11093 -189.4799  89.63419 -189.4799  89.63419 -189.4799  89.63419 32.80550 24.11093 32.80550 24.11093 -0.000000 0.000000 
1 1 1 30 0  1  o 77.15768 42.89270 91.90340   96.44185 91.90340   96.44185 91.90340   96.44185 77.15768 42.89270 77.15768 42.89270 -0.000000 0.000000 
1 1 1 30 0  3  o 73.02605 39.28178 83.39383   78.28809 83.39383   78.28809 83.39383   78.28809 73.02605 39.28178 73.02605 39.28178 -0.000000 0.000000 
1 1 1 30 0  4  o 82.80557 38.95834 107.7879   72.04772 107.7879   72.04772 107.7879   72.04772 82.80557 38.95834 82.80557 38.95834 -0.000000 0.000000 
1 1 1 30 0  5  o 59.94084 35.49408 49.35553   72.04772 49.35553   72.04772 49.35553   72.04772 59.94084 35.49408 59.94084 35.49408 -0.000000 0.000000 
1 1 1 30 0  6  o 37.80386 26.54127 -57.86510  72.04772 -57.86510  72.04772 -57.86510  72.04772 37.80386 26.54127 37.80386 26.54127 -0.000000 0.000000 
1 1 1 30 0  7  o 39.65534 27.30891 -32.33638  67.50929 -32.33638  67.50929 -32.33638  67.50929 39.65534 27.30891 39.65534 27.30891 -0.000000 0.000000 
1 1 1 30 0  8  o 122.9413 29.55632 183.2395   62.97085 183.2395   62.97085 183.2395   62.97085 122.9413 29.55632 122.9413 29.55632 -0.000000 0.000000 
1 1 1 30 0  9  o 28.94360 20.47972 -41.41326  44.81709 -41.41326  44.81709 -41.41326  44.81709 28.94360 20.47972 28.94360 20.47972 -0.000000 0.000000 
1 1 1 30 0  10 o 30.85486 21.99585 -56.16319  54.46128 -56.16319  54.46128 -56.16319  54.46128 30.85486 21.99585 30.85486 21.99585 -0.000000 0.000000 
1 1 1 30 0  11 o 130.1081 19.35649 185.5087   48.22092 185.5087   48.22092 185.5087   48.22092 130.1081 19.35649 130.1081 19.35649 -0.000000 0.000000 
1 1 1 30 0  12 o 43.40426 27.76105 18.15376   52.19205 18.15376   52.19205 18.15376   52.19205 43.40426 27.76105 43.40426 27.76105 -0.000000 0.000000 
1 1 1 30 1  0  o 144.9318 27.44594 235.4316   71.48043 235.4316   71.48043 235.4316   71.48043 144.9318 27.44594 144.9318 27.44594 -0.000000 0.000000 
1 1 1 30 1  1  o 93.57010 31.87394 90.76879   71.48043 90.76879   71.48043 ?          ?        93.57010 31.87394 ?        ?        ?         ?        
1 1 1 30 1  2  o 193.4637 24.04534 393.7097   93.03801 393.7097   93.03801 ?          ?        193.4637 24.04534 ?        ?        ?         ?        
1 1 1 30 1  3  o 57.37262 25.88931 -25.52872  62.97085 -25.52872  62.97085 ?          ?        57.37262 25.88931 ?        ?        ?         ?        
1 1 1 30 1  4  o 64.67125 26.87691 17.58645   57.29780 17.58645   57.29780 ?          ?        64.67125 26.87691 ?        ?        ?         ?        
1 1 1 30 1  5  o 43.85913 21.16142 -78.28809  55.59589 -78.28809  55.59589 ?          ?        43.85913 21.16142 ?        ?        ?         ?        
1 1 1 30 1  6  o 125.7814 17.81546 165.0858   44.81709 165.0858   44.81709 ?          ?        125.7814 17.81546 ?        ?        ?         ?        
1 1 1 30 1  7  o 150.7238 17.69019 238.2681   53.32666 238.2681   53.32666 ?          ?        150.7238 17.69019 ?        ?        ?         ?        
1 1 1 30 1  8  o 54.37792 22.99297 9.076880   43.11518 9.076880   43.11518 ?          ?        54.37792 22.99297 ?        ?        ?         ?        
1 1 1 30 1  9  o 69.36182 21.94264 53.89397   34.03830 53.89397   34.03830 ?          ?        69.36182 21.94264 ?        ?        ?         ?        
1 1 1 30 1  10 f 101.0180 21.42902 116.8648   41.98057 116.8648   41.98057 ?          ?        101.0180 21.42902 ?        ?        ?         ?        
1 1 1 30 1  11 o 106.2438 17.62085 123.6725   37.44213 123.6725   37.44213 ?          ?        106.2438 17.62085 ?        ?        ?         ?        
1 1 1 30 1  12 o 35.38565 17.01360 -41.98057  35.17290 -41.98057  35.17290 ?          ?        35.38565 17.01360 ?        ?        ?         ?        
1 1 1 30 2  0  o 141.7630 30.58622 232.5950   76.01886 232.5950   76.01886 232.5950   76.01886 141.7630 30.58622 141.7630 30.58622 -0.000000 0.000000 
1 1 1 30 2  1  o 52.72577 25.17675 -87.93227  73.74965 -87.93227  73.74965 ?          ?        52.72577 25.17675 ?        ?        ?         ?        
1 1 1 30 2  2  o 81.90413 35.33833 11.91340   105.5187 11.91340   105.5187 ?          ?        81.90413 35.33833 ?        ?        ?         ?        
1 1 1 30 2  3  o 66.23278 27.21574 20.42298   57.86510 20.42298   57.86510 ?          ?        66.23278 27.21574 ?        ?        ?         ?        
1 1 1 30 2  4  f 76.05822 28.14622 53.32666   56.73050 53.32666   56.73050 ?          ?        76.05822 28.14622 ?        ?        ?         ?        
1 1 1 30 2  5  o 105.9128 26.75706 126.5090   56.73050 126.5090   56.73050 ?          ?        105.9128 26.75706 ?        ?        ?         ?        
1 1 1 30 2  6  o 71.22546 26.13765 48.22092   48.78823 48.22092   48.78823 ?          ?        71.22546 26.13765 ?        ?        ?         ?        
1 1 1 30 2  7  o 58.23378 24.04319 17.01915   45.38440 17.01915   45.38440 ?          ?        58.23378 24.04319 ?        ?        ?         ?        
1 1 1 30 2  8  o 49.45433 21.91225 -7.942269  43.11518 -7.942269  43.11518 ?          ?        49.45433 21.91225 ?        ?        ?         ?        
1 1 1 30 2  9  f 152.6744 13.93418 243.3738   42.54787 243.3738   42.54787 ?          ?        152.6744 13.93418 ?        ?        ?         ?        
1 1 1 30 2  10 o 162.0811 14.17553 275.7102   45.95170 275.7102   45.95170 ?          ?        162.0811 14.17553 ?        ?        ?         ?        
1 1 1 30 2  11 o 65.19813 20.62271 48.78823   30.06716 48.78823   30.06716 ?          ?        65.19813 20.62271 ?        ?        ?         ?        
1 1 1 30 2  12 o 45.19403 19.44351 5.673049   31.76908 5.673049   31.76908 ?          ?        45.19403 19.44351 ?        ?        ?         ?        
1 1 1 30 3  0  o 172.3520 27.07717 321.0946   87.93227 321.0946   87.93227 321.0946   87.93227 172.3520 27.07717 172.3520 27.07717 -0.000000 0.000000 
1 1 1 30 3  1  o 86.35362 28.11014 78.28809   55.59589 78.28809   55.59589 ?          ?        86.35362 28.11014 ?        ?        ?         ?        
1 1 1 30 3  3  o 126.2418 24.92914 173.0280   60.70163 173.0280   60.70163 ?          ?        126.2418 24.92914 ?        ?        ?         ?        
1 1 1 30 3  4  o 88.88482 27.34251 86.79766   53.32666 86.79766   53.32666 ?          ?        88.88482 27.34251 ?        ?        ?         ?        
1 1 1 30 3  5  f 78.29275 30.93385 48.78823   71.48043 48.78823   71.48043 ?          ?        78.29275 30.93385 ?        ?        ?         ?        
1 1 1 30 3  6  o 44.41470 20.83557 -42.54787  47.08631 -42.54787  47.08631 ?          ?        44.41470 20.83557 ?        ?        ?         ?        
1 1 1 30 3  7  o 125.2282 16.98813 163.9511   42.54787 163.9511   42.54787 ?          ?        125.2282 16.98813 ?        ?        ?         ?        
1 1 1 30 3  8  o 47.69196 20.21697 5.105744   33.47099 5.105744   33.47099 ?          ?        47.69196 20.21697 ?        ?        ?         ?        
1 1 1 30 3  9  o 107.9156 21.25918 131.6148   44.24979 131.6148   44.24979 ?          ?        107.9156 21.25918 ?        ?        ?         ?        
1 1 1 30 3  10 o 61.53207 22.84703 37.44213   37.44213 37.44213   37.44213 ?          ?        61.53207 22.84703 ?        ?        ?         ?        
1 1 1 30 3  11 o 77.51043 20.52963 70.34581   32.33638 70.34581   32.33638 ?          ?        77.51043 20.52963 ?        ?        ?         ?        
1 1 1 30 3  12 o 101.9919 15.57431 112.8937   31.76908 112.8937   31.76908 ?          ?        101.9919 15.57431 ?        ?        ?         ?        
1 1 1 30 4  0  o 92.28472 38.21804 124.8071   69.77851 124.8071   69.77851 124.8071   69.77851 92.28472 38.21804 92.28472 38.21804 -0.000000 0.000000 
1 1 1 30 4  1  o 65.03407 25.37377 30.06716   47.65361 30.06716   47.65361 ?          ?        65.03407 25.37377 ?        ?        ?         ?        
1 1 1 30 4  3  o 71.45127 26.28248 45.38440   49.35553 45.38440   49.35553 ?          ?        71.45127 26.28248 ?        ?        ?         ?        
1 1 1 30 4  4  o 84.40894 27.53049 76.58617   53.32666 76.58617   53.32666 ?          ?        84.40894 27.53049 ?        ?        ?         ?        
1 1 1 30 4  5  o 86.55437 31.19273 76.58617   69.21120 76.58617   69.21120 ?          ?        86.55437 31.19273 ?        ?        ?         ?        
1 1 1 30 4  6  o 156.4492 17.94934 255.8545   56.16319 255.8545   56.16319 ?          ?        156.4492 17.94934 ?        ?        ?         ?        
1 1 1 30 4  7  o 154.3583 13.41465 245.0758   41.41326 245.0758   41.41326 ?          ?        154.3583 13.41465 ?        ?        ?         ?        
1 1 1 30 4  8  o 116.6792 19.20527 144.6628   44.81709 144.6628   44.81709 ?          ?        116.6792 19.20527 ?        ?        ?         ?        
1 1 1 30 4  9  o 94.39281 22.51978 102.6822   41.98057 102.6822   41.98057 ?          ?        94.39281 22.51978 ?        ?        ?         ?        
1 1 1 30 4  10 o 80.57091 21.44356 74.88425   35.17290 74.88425   35.17290 ?          ?        80.57091 21.44356 ?        ?        ?         ?        
1 1 1 30 4  11 o 58.38394 21.76273 34.60560   34.03830 34.60560   34.03830 ?          ?        58.38394 21.76273 ?        ?        ?         ?        
1 1 1 30 4  12 o 78.07117 20.72301 72.61504   32.90369 72.61504   32.90369 ?          ?        78.07117 20.72301 ?        ?        ?         ?        
1 1 1 30 5  0  o 56.19460 37.55894 -17.01915  111.7591 -17.01915  111.7591 -17.01915  111.7591 56.19460 37.55894 56.19460 37.55894 -0.000000 0.000000 
1 1 1 30 5  1  o 168.3089 14.83072 288.7582   49.92284 288.7582   49.92284 ?          ?        168.3089 14.83072 ?        ?        ?         ?        
1 1 1 30 5  2  o 133.2556 30.63592 199.1240   79.99000 199.1240   79.99000 ?          ?        133.2556 30.63592 ?        ?        ?         ?        
1 1 1 30 5  3  o 65.51473 29.13845 -18.15376  77.15348 -18.15376  77.15348 ?          ?        65.51473 29.13845 ?        ?        ?         ?        
1 1 1 30 5  4  f 78.94438 28.64018 60.70163   58.43241 60.70163   58.43241 ?          ?        78.94438 28.64018 ?        ?        ?         ?        
1 1 1 30 5  5  o 163.0405 15.30995 273.4410   49.92284 273.4410   49.92284 ?          ?        163.0405 15.30995 ?        ?        ?         ?        
1 1 1 30 5  6  o 103.7772 19.02237 116.2975   38.00943 116.2975   38.00943 ?          ?        103.7772 19.02237 ?        ?        ?         ?        
1 1 1 30 5  7  o 116.4108 17.78755 142.3935   41.41326 142.3935   41.41326 ?          ?        116.4108 17.78755 ?        ?        ?         ?        
1 1 1 30 5  8  o 148.1188 14.17125 226.9220   41.98057 226.9220   41.98057 ?          ?        148.1188 14.17125 ?        ?        ?         ?        
1 1 1 30 5  9  o 64.51592 21.81104 44.81709   33.47099 44.81709   33.47099 ?          ?        64.51592 21.81104 ?        ?        ?         ?        
1 1 1 30 5  10 o 68.66776 20.16770 53.32666   29.49986 53.32666   29.49986 ?          ?        68.66776 20.16770 ?        ?        ?         ?        
1 1 1 30 5  11 o 141.4826 12.43012 209.9028   35.17290 209.9028   35.17290 ?          ?        141.4826 12.43012 ?        ?        ?         ?        
1 1 1 30 5  12 o 86.14754 18.63671 85.66305   31.20177 85.66305   31.20177 ?          ?        86.14754 18.63671 ?        ?        ?         ?        
1 1 1 30 6  0  o 124.7941 50.60446 233.7296   123.1052 233.7296   123.1052 233.7296   123.1052 124.7941 50.60446 124.7941 50.60446 -0.000000 0.000000 
1 1 1 30 6  1  o 90.18774 23.62240 88.49958   43.11518 88.49958   43.11518 ?          ?        90.18774 23.62240 ?        ?        ?         ?        
1 1 1 30 6  2  o 88.01997 29.64581 80.55730   61.83624 80.55730   61.83624 ?          ?        88.01997 29.64581 ?        ?        ?         ?        
1 1 1 30 6  3  o 167.6051 20.47787 291.5948   68.64390 291.5948   68.64390 ?          ?        167.6051 20.47787 ?        ?        ?         ?        
1 1 1 30 6  4  o 52.82191 24.01971 -26.09603  55.59589 -26.09603  55.59589 ?          ?        52.82191 24.01971 ?        ?        ?         ?        
1 1 1 30 6  5  o 196.8015 13.54834 395.9789   53.32666 395.9789   53.32666 ?          ?        196.8015 13.54834 ?        ?        ?         ?        
1 1 1 30 6  6  o 56.25276 22.10309 22.69220   36.30752 22.69220   36.30752 ?          ?        56.25276 22.10309 ?        ?        ?         ?        
1 1 1 30 6  7  o 56.87588 24.34399 6.807660   49.35553 6.807660   49.35553 ?          ?        56.87588 24.34399 ?        ?        ?         ?        
1 1 1 30 6  8  o 110.9453 16.36280 128.7782   36.30752 128.7782   36.30752 ?          ?        110.9453 16.36280 ?        ?        ?         ?        
1 1 1 30 6  9  o 181.6387 11.55607 339.8157   41.98057 339.8157   41.98057 ?          ?        181.6387 11.55607 ?        ?        ?         ?        
1 1 1 30 6  10 f 126.3820 13.69087 167.3549   34.60560 167.3549   34.60560 ?          ?        126.3820 13.69087 ?        ?        ?         ?        
1 1 1 30 6  11 o 112.7262 17.61407 139.5570   39.71135 139.5570   39.71135 ?          ?        112.7262 17.61407 ?        ?        ?         ?        
1 1 1 30 6  12 o 47.21373 19.29624 14.74993   28.93255 14.74993   28.93255 ?          ?        47.21373 19.29624 ?        ?        ?         ?        
1 1 1 30 7  0  o 72.49103 42.75178 73.74965   103.8168 73.74965   103.8168 73.74965   103.8168 72.49103 42.75178 72.49103 42.75178 -0.000000 0.000000 
1 1 1 30 7  1  o 153.0703 24.27543 246.7777   74.31695 246.7777   74.31695 ?          ?        153.0703 24.27543 ?        ?        ?         ?        
1 1 1 30 7  2  o 51.36572 23.90445 -47.65361  59.56702 -47.65361  59.56702 ?          ?        51.36572 23.90445 ?        ?        ?         ?        
1 1 1 30 7  3  o 154.7851 19.24185 247.9123   59.56702 247.9123   59.56702 ?          ?        154.7851 19.24185 ?        ?        ?         ?        
1 1 1 30 7  4  o 64.67057 26.72631 20.42298   56.16319 20.42298   56.16319 ?          ?        64.67057 26.72631 ?        ?        ?         ?        
1 1 1 30 7  5  o 110.9889 22.76205 135.0186   48.78823 135.0186   48.78823 ?          ?        110.9889 22.76205 ?        ?        ?         ?        
1 1 1 30 7  6  o 29.98842 15.07690 -112.8937  39.71135 -112.8937  39.71135 ?          ?        29.98842 15.07690 ?        ?        ?         ?        
1 1 1 30 7  7  f 136.9992 17.80603 197.4221   48.78823 197.4221   48.78823 ?          ?        136.9992 17.80603 ?        ?        ?         ?        
1 1 1 30 7  8  o 52.32211 23.17936 -7.374964  48.22092 -7.374964  48.22092 ?          ?        52.32211 23.17936 ?        ?        ?         ?        
1 1 1 30 7  9  o 61.54874 22.98631 36.30752   38.00943 36.30752   38.00943 ?          ?        61.54874 22.98631 ?        ?        ?         ?        
1 1 1 30 7  10 o 41.49654 18.41768 -5.673049  30.63447 -5.673049  30.63447 ?          ?        41.49654 18.41768 ?        ?        ?         ?        
1 1 1 30 7  11 o 123.1887 14.73654 162.2492   36.30752 162.2492   36.30752 ?          ?        123.1887 14.73654 ?        ?        ?         ?        
1 1 1 30 7  12 o 99.39717 15.69550 107.2206   31.20177 107.2206   31.20177 ?          ?        99.39717 15.69550 ?        ?        ?         ?        
1 1 1 30 8  0  o 46.19711 32.75713 -111.1918  116.2975 -111.1918  116.2975 -111.1918  116.2975 46.19711 32.75713 46.19711 32.75713 -0.000000 0.000000 
1 1 1 30 8  1  o 69.98080 28.59734 25.52872   63.53815 25.52872   63.53815 ?          ?        69.98080 28.59734 ?        ?        ?         ?        
1 1 1 30 8  2  o 90.68639 27.40604 89.06688   53.89397 89.06688   53.89397 ?          ?        90.68639 27.40604 ?        ?        ?         ?        
1 1 1 30 8  3  o 52.41780 23.37251 -15.31723  49.92284 -15.31723  49.92284 ?          ?        52.41780 23.37251 ?        ?        ?         ?        
1 1 1 30 8  4  o 59.46281 25.37302 6.807660   53.32666 6.807660   53.32666 ?          ?        59.46281 25.37302 ?        ?        ?         ?        
1 1 1 30 8  5  o 62.12680 25.00066 23.82681   47.65361 23.82681   47.65361 ?          ?        62.12680 25.00066 ?        ?        ?         ?        
1 1 1 30 8  6  o 86.93474 34.62245 67.50929   90.20149 67.50929   90.20149 ?          ?        86.93474 34.62245 ?        ?        ?         ?        
1 1 1 30 8  7  o 85.90721 22.51151 82.82652   39.14404 82.82652   39.14404 ?          ?        85.90721 22.51151 ?        ?        ?         ?        
1 1 1 30 8  8  o 127.2190 15.16155 168.4896   38.57674 168.4896   38.57674 ?          ?        127.2190 15.16155 ?        ?        ?         ?        
1 1 1 30 8  9  o 43.05883 19.53193 -14.18262  36.30752 -14.18262  36.30752 ?          ?        43.05883 19.53193 ?        ?        ?         ?        
1 1 1 30 8  10 o 44.88409 19.55366 0.5673050  32.90369 0.5673050  32.90369 ?          ?        44.88409 19.55366 ?        ?        ?         ?        
1 1 1 30 8  11 o 157.3761 11.17480 257.5565   35.17290 257.5565   35.17290 ?          ?        157.3761 11.17480 ?        ?        ?         ?        
1 1 1 30 9  0  o 199.2178 32.96621 439.6613   121.9706 439.6613   121.9706 439.6613   121.9706 199.2178 32.96621 199.2178 32.96621 -0.000000 0.000000 
1 1 1 30 9  1  o 131.4844 29.80603 192.8837   76.58617 192.8837   76.58617 ?          ?        131.4844 29.80603 ?        ?        ?         ?        
1 1 1 30 9  2  f 93.13989 30.03187 93.03801   63.53815 93.03801   63.53815 ?          ?        93.13989 30.03187 ?        ?        ?         ?        
1 1 1 30 9  3  o 101.3078 22.16816 111.7591   43.68248 111.7591   43.68248 ?          ?        101.3078 22.16816 ?        ?        ?         ?        
1 1 1 30 9  4  o 126.1443 18.88853 166.2204   47.65361 166.2204   47.65361 ?          ?        126.1443 18.88853 ?        ?        ?         ?        
1 1 1 30 9  5  o 43.02417 19.82766 -27.23064  39.71135 -27.23064  39.71135 ?          ?        43.02417 19.82766 ?        ?        ?         ?        
1 1 1 30 9  6  o 72.96201 28.87927 42.54787   62.40355 42.54787   62.40355 ?          ?        72.96201 28.87927 ?        ?        ?         ?        
1 1 1 30 9  7  o 51.22539 22.19799 0.5673050  41.98057 0.5673050  41.98057 ?          ?        51.22539 22.19799 ?        ?        ?         ?        
1 1 1 30 9  8  o 161.9189 12.78827 270.0372   41.41326 270.0372   41.41326 ?          ?        161.9189 12.78827 ?        ?        ?         ?        
1 1 1 30 9  9  o 103.9624 16.09764 114.5956   33.47099 114.5956   33.47099 ?          ?        103.9624 16.09764 ?        ?        ?         ?        
1 1 1 30 9  10 o 52.65223 20.67961 22.69220   31.76908 22.69220   31.76908 ?          ?        52.65223 20.67961 ?        ?        ?         ?        
1 1 1 30 9  11 o 90.81453 19.61014 95.30723   34.60560 95.30723   34.60560 ?          ?        90.81453 19.61014 ?        ?        ?         ?        
1 1 1 30 10 0  o 105.1139 50.76028 179.8357   123.1052 179.8357   123.1052 179.8357   123.1052 105.1139 50.76028 105.1139 50.76028 -0.000000 0.000000 
1 1 1 30 10 1  f 121.3593 25.78541 161.1146   60.70163 161.1146   60.70163 ?          ?        121.3593 25.78541 ?        ?        ?         ?        
1 1 1 30 10 2  o 136.5852 20.14442 193.4510   55.02858 193.4510   55.02858 ?          ?        136.5852 20.14442 ?        ?        ?         ?        
1 1 1 30 10 3  o 193.9772 14.91544 385.7674   57.86510 385.7674   57.86510 ?          ?        193.9772 14.91544 ?        ?        ?         ?        
1 1 1 30 10 4  o 86.56068 21.65921 82.25922   37.44213 82.25922   37.44213 ?          ?        86.56068 21.65921 ?        ?        ?         ?        
1 1 1 30 10 5  o 46.12917 20.43181 -9.076880  37.44213 -9.076880  37.44213 ?          ?        46.12917 20.43181 ?        ?        ?         ?        
1 1 1 30 10 6  f 86.73167 24.86867 84.52843   45.38440 84.52843   45.38440 ?          ?        86.73167 24.86867 ?        ?        ?         ?        
1 1 1 30 10 7  o 72.33108 25.33861 54.46128   45.38440 54.46128   45.38440 ?          ?        72.33108 25.33861 ?        ?        ?         ?        
1 1 1 30 10 8  o 114.2951 16.37959 137.2878   37.44213 137.2878   37.44213 ?          ?        114.2951 16.37959 ?        ?        ?         ?        
1 1 1 30 10 9  o 60.84747 23.17375 34.60560   39.14404 34.60560   39.14404 ?          ?        60.84747 23.17375 ?        ?        ?         ?        
1 1 1 30 10 10 o 97.72559 19.55728 108.3553   36.87482 108.3553   36.87482 ?          ?        97.72559 19.55728 ?        ?        ?         ?        
1 1 1 30 10 11 o 68.40851 20.42947 54.46128   30.06716 54.46128   30.06716 ?          ?        68.40851 20.42947 ?        ?        ?         ?        
1 1 1 30 11 0  o 79.08755 38.74761 98.14376   72.04772 98.14376   72.04772 98.14376   72.04772 79.08755 38.74761 79.08755 38.74761 -0.000000 0.000000 
1 1 1 30 11 1  o 102.7228 29.58952 116.8648   64.10546 116.8648   64.10546 ?          ?        102.7228 29.58952 ?        ?        ?         ?        
1 1 1 30 11 2  o 120.0750 23.75946 156.5762   55.02858 156.5762   55.02858 ?          ?        120.0750 23.75946 ?        ?        ?         ?        
1 1 1 30 11 3  o 57.16890 23.68037 13.61532   44.24979 13.61532   44.24979 ?          ?        57.16890 23.68037 ?        ?        ?         ?        
1 1 1 30 11 4  o 183.2778 12.22655 342.0849   44.81709 342.0849   44.81709 ?          ?        183.2778 12.22655 ?        ?        ?         ?        
1 1 1 30 11 5  o 77.31970 23.15066 65.24007   38.57674 65.24007   38.57674 ?          ?        77.31970 23.15066 ?        ?        ?         ?        
1 1 1 30 11 6  o 107.1658 21.66799 126.5090   44.81709 126.5090   44.81709 ?          ?        107.1658 21.66799 ?        ?        ?         ?        
1 1 1 30 11 7  o 49.62918 21.38945 1.701915   38.57674 1.701915   38.57674 ?          ?        49.62918 21.38945 ?        ?        ?         ?        
1 1 1 30 11 8  o 58.07466 22.52566 27.79794   37.44213 27.79794   37.44213 ?          ?        58.07466 22.52566 ?        ?        ?         ?        
1 1 1 30 11 9  o 88.75469 19.39076 89.06688   33.47099 89.06688   33.47099 ?          ?        88.75469 19.39076 ?        ?        ?         ?        
1 1 1 30 11 10 o 99.97590 16.17209 107.2206   32.33638 107.2206   32.33638 ?          ?        99.97590 16.17209 ?        ?        ?         ?        
1 1 1 30 11 11 o 77.51704 20.26519 70.34581   31.76908 70.34581   31.76908 ?          ?        77.51704 20.26519 ?        ?        ?         ?        
1 1 1 30 12 0  o 48.23139 33.48669 -61.26894  104.9514 -61.26894  104.9514 -61.26894  104.9514 48.23139 33.48669 48.23139 33.48669 -0.000000 0.000000 
1 1 1 30 12 1  o 75.66988 27.23778 53.89397   52.75936 53.89397   52.75936 ?          ?        75.66988 27.23778 ?        ?        ?         ?        
1 1 1 30 12 2  o 106.4665 26.88665 126.5090   57.29780 126.5090   57.29780 ?          ?        106.4665 26.88665 ?        ?        ?         ?        
1 1 1 30 12 3  o 67.42487 24.87668 41.41326   44.24979 41.41326   44.24979 ?          ?        67.42487 24.87668 ?        ?        ?         ?        
1 1 1 30 12 4  o 65.96908 24.38278 39.14404   42.54787 39.14404   42.54787 ?          ?        65.96908 24.38278 ?        ?        ?         ?        
1 1 1 30 12 5  o 66.02457 24.09563 40.84595   41.41326 40.84595   41.41326 ?          ?        66.02457 24.09563 ?        ?        ?         ?        
1 1 1 30 12 6  o 64.51096 22.65740 41.41326   36.30752 41.41326   36.30752 ?          ?        64.51096 22.65740 ?        ?        ?         ?        
1 1 1 30 12 7  o 64.35537 23.43207 39.71135   39.14404 39.71135   39.14404 ?          ?        64.35537 23.43207 ?        ?        ?         ?        
1 1 1 30 12 8  o 43.80802 19.43251 -6.807660  34.03830 -6.807660  34.03830 ?          ?        43.80802 19.43251 ?        ?        ?         ?        
1 1 1 30 12 9  o 61.67005 21.40880 40.84595   32.33638 40.84595   32.33638 ?          ?        61.67005 21.40880 ?        ?        ?         ?        
1 1 1 30 12 10 o 116.9606 13.33859 143.5282   31.20177 143.5282   31.20177 ?          ?        116.9606 13.33859 ?        ?        ?         ?        
1 1 1 30 12 11 o 134.1701 13.95323 191.1818   37.44213 191.1818   37.44213 ?          ?        134.1701 13.95323 ?        ?        ?         ?        
1 1 1 30 13 0  o 60.09575 38.60519 21.55759   102.1149 21.55759   102.1149 21.55759   102.1149 60.09575 38.60519 60.09575 38.60519 -0.000000 0.000000 
1 1 1 30 13 1  o 94.08197 33.02995 92.47070   77.15348 92.47070   77.15348 ?          ?        94.08197 33.02995 ?        ?        ?         ?        
1 1 1 30 13 2  o 105.9603 22.13607 122.5379   45.38440 122.5379   45.38440 ?          ?        105.9603 22.13607 ?        ?        ?         ?        
1 1 1 30 13 3  f 85.02839 20.27304 78.85539   34.03830 78.85539   34.03830 ?          ?        85.02839 20.27304 ?        ?        ?         ?        
1 1 1 30 13 4  o 55.24063 23.40427 6.807660   44.81709 6.807660   44.81709 ?          ?        55.24063 23.40427 ?        ?        ?         ?        
1 1 1 30 13 5  f 166.1269 15.36700 285.3544   51.05745 285.3544   51.05745 ?          ?        166.1269 15.36700 ?        ?        ?         ?        
1 1 1 30 13 6  o 78.60108 22.60468 68.64390   37.44213 68.64390   37.44213 ?          ?        78.60108 22.60468 ?        ?        ?         ?        
1 1 1 30 13 7  o 104.4220 21.38183 120.8360   43.11518 120.8360   43.11518 ?          ?        104.4220 21.38183 ?        ?        ?         ?        
1 1 1 30 13 8  o 50.65728 21.33416 9.644185   36.87482 9.644185   36.87482 ?          ?        50.65728 21.33416 ?        ?        ?         ?        
1 1 1 30 13 9  o 41.61114 18.74899 -10.21149  32.90369 -10.21149  32.90369 ?          ?        41.61114 18.74899 ?        ?        ?         ?        
1 1 1 30 13 10 o 56.60627 20.19079 32.90369   28.93255 32.90369   28.93255 ?          ?        56.60627 20.19079 ?        ?        ?         ?        
1 1 1 30 13 11 o 126.3992 13.01578 168.4896   32.90369 168.4896   32.90369 ?          ?        126.3992 13.01578 ?        ?        ?         ?        
1 1 1 30 14 0  o 136.9548 19.69732 197.9895   52.19205 197.9895   52.19205 197.9895   52.19205 136.9548 19.69732 136.9548 19.69732 -0.000000 0.000000 
1 1 1 30 14 1  o 93.15261 30.84543 94.73994   66.94199 94.73994   66.94199 ?          ?        93.15261 30.84543 ?        ?        ?         ?        
1 1 1 30 14 2  o 77.63936 25.86954 63.53815   47.08631 63.53815   47.08631 ?          ?        77.63936 25.86954 ?        ?        ?         ?        
1 1 1 30 14 3  f 145.6660 16.74661 219.5470   48.78823 219.5470   48.78823 ?          ?        145.6660 16.74661 ?        ?        ?         ?        
1 1 1 30 14 4  o 54.42925 23.82779 -4.538440  49.35553 -4.538440  49.35553 ?          ?        54.42925 23.82779 ?        ?        ?         ?        
1 1 1 30 14 5  o 55.96982 22.50600 19.28837   38.57674 19.28837   38.57674 ?          ?        55.96982 22.50600 ?        ?        ?         ?        
1 1 1 30 14 6  o 97.80956 21.99524 106.6533   41.98057 106.6533   41.98057 ?          ?        97.80956 21.99524 ?        ?        ?         ?        
1 1 1 30 14 7  o 104.1944 16.33404 113.4610   34.03830 113.4610   34.03830 ?          ?        104.1944 16.33404 ?        ?        ?         ?        
1 1 1 30 14 8  o 107.5274 16.88292 123.1052   36.30752 123.1052   36.30752 ?          ?        107.5274 16.88292 ?        ?        ?         ?        
1 1 1 30 14 9  o 127.7089 13.54863 170.7588   34.60560 170.7588   34.60560 ?          ?        127.7089 13.54863 ?        ?        ?         ?        
1 1 1 30 14 10 o 45.91798 19.09191 10.21149   28.93255 10.21149   28.93255 ?          ?        45.91798 19.09191 ?        ?        ?         ?        
1 1 1 30 14 11 o 78.95937 21.38621 74.31695   34.60560 74.31695   34.60560 ?          ?        78.95937 21.38621 ?        ?        ?         ?        
1 1 1 30 15 0  o 35.73285 24.40482 -22.12490  51.62476 -22.12490  51.62476 -22.12490  51.62476 35.73285 24.40482 35.73285 24.40482 -0.000000 0.000000 
1 1 1 30 15 1  o 44.24697 19.55447 -7.942269  34.03830 -7.942269  34.03830 ?          ?        44.24697 19.55447 ?        ?        ?         ?        
1 1 1 30 15 2  o 48.97507 21.84950 -13.04801  43.68248 -13.04801  43.68248 ?          ?        48.97507 21.84950 ?        ?        ?         ?        
1 1 1 30 15 3  o 122.3583 18.54570 156.0089   45.38440 156.0089   45.38440 ?          ?        122.3583 18.54570 ?        ?        ?         ?        
1 1 1 30 15 4  o 108.9826 23.57123 131.6148   49.92284 131.6148   49.92284 ?          ?        108.9826 23.57123 ?        ?        ?         ?        
1 1 1 30 15 5  o 48.74239 21.60620 -9.076880  41.98057 -9.076880  41.98057 ?          ?        48.74239 21.60620 ?        ?        ?         ?        
1 1 1 30 15 6  o 76.53267 24.20250 64.67276   41.41326 64.67276   41.41326 ?          ?        76.53267 24.20250 ?        ?        ?         ?        
1 1 1 30 15 7  o 67.92671 21.58255 49.92284   32.90369 49.92284   32.90369 ?          ?        67.92671 21.58255 ?        ?        ?         ?        
1 1 1 30 15 8  o 65.16904 21.24927 46.51900   31.76908 46.51900   31.76908 ?          ?        65.16904 21.24927 ?        ?        ?         ?        
1 1 1 30 15 9  o 137.8491 12.55199 197.4221   34.60560 197.4221   34.60560 ?          ?        137.8491 12.55199 ?        ?        ?         ?        
1 1 1 30 15 10 o 100.9033 16.02345 109.4899   32.33638 109.4899   32.33638 ?          ?        100.9033 16.02345 ?        ?        ?         ?        
1 1 1 30 15 11 o 134.2163 12.68039 190.0471   34.03830 190.0471   34.03830 ?          ?        134.2163 12.68039 ?        ?        ?         ?        
1 1 1 30 16 0  o 36.72695 25.03210 -21.55759  53.89397 -21.55759  53.89397 -21.55759  53.89397 36.72695 25.03210 36.72695 25.03210 -0.000000 0.000000 
1 1 1 30 16 1  o 29.59854 14.78548 -95.87454  36.30752 -95.87454  36.30752 ?          ?        29.59854 14.78548 ?        ?        ?         ?        
1 1 1 30 16 2  o 111.7467 17.00695 129.3455   38.00943 129.3455   38.00943 ?          ?        111.7467 17.00695 ?        ?        ?         ?        
1 1 1 30 16 3  o 68.37614 23.72603 46.51900   39.71135 46.51900   39.71135 ?          ?        68.37614 23.72603 ?        ?        ?         ?        
1 1 1 30 16 4  o 89.66395 25.00873 90.20149   46.51900 90.20149   46.51900 ?          ?        89.66395 25.00873 ?        ?        ?         ?        
1 1 1 30 16 5  o 63.11446 24.12436 33.47099   42.54787 33.47099   42.54787 ?          ?        63.11446 24.12436 ?        ?        ?         ?        
1 1 1 30 16 6  o 80.19370 20.98181 71.48043   34.03830 71.48043   34.03830 ?          ?        80.19370 20.98181 ?        ?        ?         ?        
1 1 1 30 16 7  o 124.7037 16.14974 162.8165   40.27865 162.8165   40.27865 ?          ?        124.7037 16.14974 ?        ?        ?         ?        
1 1 1 30 16 8  o 79.33371 19.72432 70.91312   31.20177 70.91312   31.20177 ?          ?        79.33371 19.72432 ?        ?        ?         ?        
1 1 1 30 16 9  o 41.17355 18.70000 -13.61532  33.47099 -13.61532  33.47099 ?          ?        41.17355 18.70000 ?        ?        ?         ?        
1 1 1 30 16 10 o 81.60090 21.06600 78.28809   34.60560 78.28809   34.60560 ?          ?        81.60090 21.06600 ?        ?        ?         ?        
1 1 1 30 16 11 o 82.45711 17.70967 77.72078   28.36525 77.72078   28.36525 ?          ?        82.45711 17.70967 ?        ?        ?         ?        
1 1 1 30 17 0  o 55.76606 30.91743 47.08631   49.92284 47.08631   49.92284 47.08631   49.92284 55.76606 30.91743 55.76606 30.91743 -0.000000 0.000000 
1 1 1 30 17 1  o 41.61491 19.14939 -24.96142  36.87482 -24.96142  36.87482 ?          ?        41.61491 19.14939 ?        ?        ?         ?        
1 1 1 30 17 2  o 50.11134 20.86047 8.509575   34.60560 8.509575   34.60560 ?          ?        50.11134 20.86047 ?        ?        ?         ?        
1 1 1 30 17 3  o 103.4180 21.55360 116.8648   43.11518 116.8648   43.11518 ?          ?        103.4180 21.55360 ?        ?        ?         ?        
1 1 1 30 17 4  o 81.85297 25.04317 74.31695   44.81709 74.31695   44.81709 ?          ?        81.85297 25.04317 ?        ?        ?         ?        
1 1 1 30 17 5  o 101.9606 18.48495 112.3264   36.30752 112.3264   36.30752 ?          ?        101.9606 18.48495 ?        ?        ?         ?        
1 1 1 30 17 6  o 76.94091 22.30270 65.80738   36.30752 65.80738   36.30752 ?          ?        76.94091 22.30270 ?        ?        ?         ?        
1 1 1 30 17 7  o 81.82634 25.42422 76.58617   45.95170 76.58617   45.95170 ?          ?        81.82634 25.42422 ?        ?        ?         ?        
1 1 1 30 17 8  o 48.69517 19.87103 13.61532   30.63447 13.61532   30.63447 ?          ?        48.69517 19.87103 ?        ?        ?         ?        
1 1 1 30 17 9  o 60.67944 21.87434 38.00943   34.03830 38.00943   34.03830 ?          ?        60.67944 21.87434 ?        ?        ?         ?        
1 1 1 30 17 10 o 89.78400 18.63136 91.90340   32.33638 91.90340   32.33638 ?          ?        89.78400 18.63136 ?        ?        ?         ?        
1 1 1 30 17 11 o 59.66785 21.33920 39.14404   32.33638 39.14404   32.33638 ?          ?        59.66785 21.33920 ?        ?        ?         ?        
1 1 1 30 18 0  o 39.84266 25.44200 8.509575   43.68248 8.509575   43.68248 8.509575   43.68248 39.84266 25.44200 39.84266 25.44200 -0.000000 0.000000 
1 1 1 30 18 1  o 61.05093 20.86637 36.87482   30.63447 36.87482   30.63447 ?          ?        61.05093 20.86637 ?        ?        ?         ?        
1 1 1 30 18 2  o 60.11905 22.01791 32.33638   34.60560 32.33638   34.60560 ?          ?        60.11905 22.01791 ?        ?        ?         ?        
1 1 1 30 18 3  o 54.80237 21.28915 22.12490   33.47099 22.12490   33.47099 ?          ?        54.80237 21.28915 ?        ?        ?         ?        
1 1 1 30 18 4  o 90.11112 21.12124 89.63419   37.44213 89.63419   37.44213 ?          ?        90.11112 21.12124 ?        ?        ?         ?        
1 1 1 30 18 5  o 78.25310 22.86357 68.07660   38.00943 68.07660   38.00943 ?          ?        78.25310 22.86357 ?        ?        ?         ?        
1 1 1 30 18 6  o 33.64956 16.42442 -62.97085  36.30752 -62.97085  36.30752 ?          ?        33.64956 16.42442 ?        ?        ?         ?        
1 1 1 30 18 7  o 49.49776 20.84046 8.509575   35.17290 8.509575   35.17290 ?          ?        49.49776 20.84046 ?        ?        ?         ?        
1 1 1 30 18 8  o 98.59586 21.04537 111.1918   40.27865 111.1918   40.27865 ?          ?        98.59586 21.04537 ?        ?        ?         ?        
1 1 1 30 18 9  o 110.6702 15.37825 130.4801   34.03830 130.4801   34.03830 ?          ?        110.6702 15.37825 ?        ?        ?         ?        
1 1 1 30 18 10 o 80.10301 21.24757 76.01886   34.60560 76.01886   34.60560 ?          ?        80.10301 21.24757 ?        ?        ?         ?        
1 1 1 30 18 11 o 38.13864 17.69619 -19.85567  32.33638 -19.85567  32.33638 ?          ?        38.13864 17.69619 ?        ?        ?         ?        
1 1 1 30 19 0  o 38.86709 25.60218 -2.269220  48.78823 -2.269220  48.78823 -2.269220  48.78823 38.86709 25.60218 38.86709 25.60218 -0.000000 0.000000 
1 1 1 30 19 1  f 49.35543 19.74949 14.18262   29.49986 14.18262   29.49986 ?          ?        49.35543 19.74949 ?        ?        ?         ?        
1 1 1 30 19 2  o 97.82937 18.36355 102.6822   34.60560 102.6822   34.60560 ?          ?        97.82937 18.36355 ?        ?        ?         ?        
1 1 1 30 19 3  o 80.65390 18.94177 70.91312   30.06716 70.91312   30.06716 ?          ?        80.65390 18.94177 ?        ?        ?         ?        
1 1 1 30 19 4  o 163.3170 13.02616 273.4410   42.54787 273.4410   42.54787 ?          ?        163.3170 13.02616 ?        ?        ?         ?        
1 1 1 30 19 5  o 117.0332 15.51164 142.3935   36.30752 142.3935   36.30752 ?          ?        117.0332 15.51164 ?        ?        ?         ?        
1 1 1 30 19 6  o 48.70432 20.68890 5.105744   35.17290 5.105744   35.17290 ?          ?        48.70432 20.68890 ?        ?        ?         ?        
1 1 1 30 19 7  o 49.33520 22.96578 -34.60560  55.02858 -34.60560  55.02858 ?          ?        49.33520 22.96578 ?        ?        ?         ?        
1 1 1 30 19 8  o 106.7776 16.73581 122.5379   35.74022 122.5379   35.74022 ?          ?        106.7776 16.73581 ?        ?        ?         ?        
1 1 1 30 19 9  o 57.79819 21.71928 32.33638   34.03830 32.33638   34.03830 ?          ?        57.79819 21.71928 ?        ?        ?         ?        
1 1 1 30 19 10 o 52.72485 20.39077 24.96142   30.63447 24.96142   30.63447 ?          ?        52.72485 20.39077 ?        ?        ?         ?        
1 1 1 30 20 0  o 57.39949 30.84272 51.05745   48.22092 51.05745   48.22092 51.05745   48.22092 57.39949 30.84272 57.39949 30.84272 -0.000000 0.000000 
1 1 1 30 20 1  f 48.75602 19.87932 11.34610   30.63447 11.34610   30.63447 ?          ?        48.75602 19.87932 ?        ?        ?         ?        
1 1 1 30 20 2  o 102.1623 16.65894 108.3553   34.03830 108.3553   34.03830 ?          ?        102.1623 16.65894 ?        ?        ?         ?        
1 1 1 30 20 3  o 136.4613 11.84819 190.0471   32.33638 190.0471   32.33638 ?          ?        136.4613 11.84819 ?        ?        ?         ?        
1 1 1 30 20 4  o 53.06373 21.42685 16.45185   35.17290 16.45185   35.17290 ?          ?        53.06373 21.42685 ?        ?        ?         ?        
1 1 1 30 20 5  o 131.9029 13.54793 179.2684   35.74022 179.2684   35.74022 ?          ?        131.9029 13.54793 ?        ?        ?         ?        
1 1 1 30 20 6  o 48.69353 20.94840 2.269220   36.87482 2.269220   36.87482 ?          ?        48.69353 20.94840 ?        ?        ?         ?        
1 1 1 30 20 7  o 130.4606 26.36117 201.3933   66.37468 201.3933   66.37468 ?          ?        130.4606 26.36117 ?        ?        ?         ?        
1 1 1 30 20 8  o 59.95673 22.16741 35.74022   35.17290 35.74022   35.17290 ?          ?        59.95673 22.16741 ?        ?        ?         ?        
1 1 1 30 20 9  o 79.40145 22.53115 74.31695   37.44213 74.31695   37.44213 ?          ?        79.40145 22.53115 ?        ?        ?         ?        
1 1 1 30 20 10 o 64.46089 20.85990 47.65361   30.63447 47.65361   30.63447 ?          ?        64.46089 20.85990 ?        ?        ?         ?        
1 1 1 30 21 0  o 35.89809 23.80440 -4.538440  43.11518 -4.538440  43.11518 -4.538440  43.11518 35.89809 23.80440 35.89809 23.80440 -0.000000 0.000000 
1 1 1 30 21 1  o 98.23041 14.43812 99.27837   28.36525 99.27837   28.36525 ?          ?        98.23041 14.43812 ?        ?        ?         ?        
1 1 1 30 21 2  o 54.12893 20.53406 23.82681   30.63447 23.82681   30.63447 ?          ?        54.12893 20.53406 ?        ?        ?         ?        
1 1 1 30 21 3  o 126.8018 12.52706 164.5184   31.76908 164.5184   31.76908 ?          ?        126.8018 12.52706 ?        ?        ?         ?        
1 1 1 30 21 4  o 80.49709 19.83533 71.48043   31.76908 71.48043   31.76908 ?          ?        80.49709 19.83533 ?        ?        ?         ?        
1 1 1 30 21 5  o 70.54388 21.21055 54.46128   32.33638 54.46128   32.33638 ?          ?        70.54388 21.21055 ?        ?        ?         ?        
1 1 1 30 21 6  o 55.42784 21.88184 22.69220   35.74022 22.69220   35.74022 ?          ?        55.42784 21.88184 ?        ?        ?         ?        
1 1 1 30 21 7  o 44.53765 19.39358 -0.5673050 32.33638 -0.5673050 32.33638 ?          ?        44.53765 19.39358 ?        ?        ?         ?        
1 1 1 30 21 8  o 33.83598 16.31413 -44.81709  32.90369 -44.81709  32.90369 ?          ?        33.83598 16.31413 ?        ?        ?         ?        
1 1 1 30 21 9  o 66.92138 21.81102 51.05745   33.47099 51.05745   33.47099 ?          ?        66.92138 21.81102 ?        ?        ?         ?        
1 1 1 30 21 10 o 103.0459 19.15916 121.4033   38.00943 121.4033   38.00943 ?          ?        103.0459 19.15916 ?        ?        ?         ?        
1 1 1 30 22 0  o 27.00969 19.47286 -63.53815  46.51900 -63.53815  46.51900 -63.53815  46.51900 27.00969 19.47286 27.00969 19.47286 -0.000000 0.000000 
1 1 1 30 22 1  f 50.33814 20.24100 14.74993   31.20177 14.74993   31.20177 ?          ?        50.33814 20.24100 ?        ?        ?         ?        
1 1 1 30 22 2  o 136.8212 12.02434 191.1818   32.90369 191.1818   32.90369 ?          ?        136.8212 12.02434 ?        ?        ?         ?        
1 1 1 30 22 3  o 122.1845 13.92906 153.7396   34.03830 153.7396   34.03830 ?          ?        122.1845 13.92906 ?        ?        ?         ?        
1 1 1 30 22 4  o 83.51289 21.32151 77.72078   35.74022 77.72078   35.74022 ?          ?        83.51289 21.32151 ?        ?        ?         ?        
1 1 1 30 22 5  o 64.52142 21.43814 43.68248   32.33638 43.68248   32.33638 ?          ?        64.52142 21.43814 ?        ?        ?         ?        
1 1 1 30 22 6  o 87.36388 18.72351 84.52843   31.76908 84.52843   31.76908 ?          ?        87.36388 18.72351 ?        ?        ?         ?        
1 1 1 30 22 7  o 61.03247 21.55569 38.57674   32.90369 38.57674   32.90369 ?          ?        61.03247 21.55569 ?        ?        ?         ?        
1 1 1 30 22 8  o 55.07366 23.12549 15.31723   43.11518 15.31723   43.11518 ?          ?        55.07366 23.12549 ?        ?        ?         ?        
1 1 1 30 22 9  o 70.61203 22.08812 58.43241   34.60560 58.43241   34.60560 ?          ?        70.61203 22.08812 ?        ?        ?         ?        
1 1 1 30 22 10 o 58.15836 22.91901 31.76908   39.14404 31.76908   39.14404 ?          ?        58.15836 22.91901 ?        ?        ?         ?        
1 1 1 30 23 0  f 69.44232 31.18242 73.74965   45.95170 73.74965   45.95170 73.74965   45.95170 69.44232 31.18242 69.44232 31.18242 -0.000000 0.000000 
1 1 1 30 23 1  o 124.3815 14.36717 159.4127   35.74022 159.4127   35.74022 ?          ?        124.3815 14.36717 ?        ?        ?         ?        
1 1 1 30 23 2  o 140.5682 12.10740 201.9606   34.03830 201.9606   34.03830 ?          ?        140.5682 12.10740 ?        ?        ?         ?        
1 1 1 30 23 3  o 43.37805 18.60507 1.134610   28.93255 1.134610   28.93255 ?          ?        43.37805 18.60507 ?        ?        ?         ?        
1 1 1 30 23 4  o 115.9783 14.18528 138.9897   32.90369 138.9897   32.90369 ?          ?        115.9783 14.18528 ?        ?        ?         ?        
1 1 1 30 23 5  o 35.08889 16.43763 -26.09603  28.93255 -26.09603  28.93255 ?          ?        35.08889 16.43763 ?        ?        ?         ?        
1 1 1 30 23 6  o 82.13646 19.00975 75.45156   30.63447 75.45156   30.63447 ?          ?        82.13646 19.00975 ?        ?        ?         ?        
1 1 1 30 23 7  o 44.64593 20.06463 -9.644185  37.44213 -9.644185  37.44213 ?          ?        44.64593 20.06463 ?        ?        ?         ?        
1 1 1 30 23 8  o 84.89841 18.23254 81.12460   30.06716 81.12460   30.06716 ?          ?        84.89841 18.23254 ?        ?        ?         ?        
1 1 1 30 23 9  o 45.45589 19.92541 0.5673050  34.60560 0.5673050  34.60560 ?          ?        45.45589 19.92541 ?        ?        ?         ?        
1 1 1 30 23 10 o 29.86749 14.75436 -64.67276  32.33638 -64.67276  32.33638 ?          ?        29.86749 14.75436 ?        ?        ?         ?        
1 1 1 30 24 0  o 53.79800 29.83728 44.24979   46.51900 44.24979   46.51900 44.24979   46.51900 53.79800 29.83728 53.79800 29.83728 -0.000000 0.000000 
1 1 1 30 24 1  o 39.11524 18.03462 -22.69220  32.90369 -22.69220  32.90369 ?          ?        39.11524 18.03462 ?        ?        ?         ?        
1 1 1 30 24 2  o 138.5558 11.87380 196.2875   32.90369 196.2875   32.90369 ?          ?        138.5558 11.87380 ?        ?        ?         ?        
1 1 1 30 24 3  o 66.41770 21.42539 47.08631   32.33638 47.08631   32.33638 ?          ?        66.41770 21.42539 ?        ?        ?         ?        
1 1 1 30 24 4  o 151.3167 9.747720 232.5950   29.49986 232.5950   29.49986 ?          ?        151.3167 9.747720 ?        ?        ?         ?        
1 1 1 30 24 5  o 107.1936 14.02470 119.1340   30.06716 119.1340   30.06716 ?          ?        107.1936 14.02470 ?        ?        ?         ?        
1 1 1 30 24 6  o 76.63142 18.95762 65.80738   28.93255 65.80738   28.93255 ?          ?        76.63142 18.95762 ?        ?        ?         ?        
1 1 1 30 24 7  o 57.30079 21.53651 31.20177   33.47099 31.20177   33.47099 ?          ?        57.30079 21.53651 ?        ?        ?         ?        
1 1 1 30 24 8  o 86.05916 20.11686 85.09574   34.03830 85.09574   34.03830 ?          ?        86.05916 20.11686 ?        ?        ?         ?        
1 1 1 30 24 9  o 35.32988 16.92587 -39.14404  34.03830 -39.14404  34.03830 ?          ?        35.32988 16.92587 ?        ?        ?         ?        
1 1 1 30 24 10 o 93.93884 20.78399 104.3841   38.00943 104.3841   38.00943 ?          ?        93.93884 20.78399 ?        ?        ?         ?        
1 1 1 30 25 0  o 79.61006 29.35034 88.49958   43.11518 88.49958   43.11518 88.49958   43.11518 79.61006 29.35034 79.61006 29.35034 -0.000000 0.000000 
1 1 1 30 25 1  o 88.90614 17.85719 85.66305   30.63447 85.66305   30.63447 ?          ?        88.90614 17.85719 ?        ?        ?         ?        
1 1 1 30 25 2  o 79.41306 18.83440 69.21120   29.49986 69.21120   29.49986 ?          ?        79.41306 18.83440 ?        ?        ?         ?        
1 1 1 30 25 3  o 60.94120 21.88368 35.74022   34.03830 35.74022   34.03830 ?          ?        60.94120 21.88368 ?        ?        ?         ?        
1 1 1 30 25 4  o 155.6295 11.11794 247.3450   34.60560 247.3450   34.60560 ?          ?        155.6295 11.11794 ?        ?        ?         ?        
1 1 1 30 25 5  o 87.58379 17.45967 83.96114   29.49986 83.96114   29.49986 ?          ?        87.58379 17.45967 ?        ?        ?         ?        
1 1 1 30 25 6  o 62.06530 19.84943 41.98057   27.79794 41.98057   27.79794 ?          ?        62.06530 19.84943 ?        ?        ?         ?        
1 1 1 30 25 7  o 61.03146 21.72197 38.57674   33.47099 38.57674   33.47099 ?          ?        61.03146 21.72197 ?        ?        ?         ?        
1 1 1 30 25 8  o 106.8316 15.13428 121.4033   32.33638 121.4033   32.33638 ?          ?        106.8316 15.13428 ?        ?        ?         ?        
1 1 1 30 25 9  o 100.0229 18.56172 113.4610   35.74022 113.4610   35.74022 ?          ?        100.0229 18.56172 ?        ?        ?         ?        
1 1 1 30 26 0  o 157.4028 14.46545 258.1238   44.81709 258.1238   44.81709 258.1238   44.81709 157.4028 14.46545 157.4028 14.46545 -0.000000 0.000000 
1 1 1 30 26 1  o 62.43701 19.83742 41.41326   27.79794 41.41326   27.79794 ?          ?        62.43701 19.83742 ?        ?        ?         ?        
1 1 1 30 26 2  o 66.32302 20.08769 47.65361   28.93255 47.65361   28.93255 ?          ?        66.32302 20.08769 ?        ?        ?         ?        
1 1 1 30 26 3  o 61.85276 20.07805 40.27865   28.36525 40.27865   28.36525 ?          ?        61.85276 20.07805 ?        ?        ?         ?        
1 1 1 30 26 4  o 122.8357 12.00786 154.8743   29.49986 154.8743   29.49986 ?          ?        122.8357 12.00786 ?        ?        ?         ?        
1 1 1 30 26 5  o 53.97317 20.65055 24.96142   31.20177 24.96142   31.20177 ?          ?        53.97317 20.65055 ?        ?        ?         ?        
1 1 1 30 26 6  o 96.26646 14.43802 97.57646   27.79794 97.57646   27.79794 ?          ?        96.26646 14.43802 ?        ?        ?         ?        
1 1 1 30 26 7  o 41.61297 18.67561 -9.076880  32.33638 -9.076880  32.33638 ?          ?        41.61297 18.67561 ?        ?        ?         ?        
1 1 1 30 26 8  o 206.0123 11.42803 440.7959   47.08631 440.7959   47.08631 ?          ?        206.0123 11.42803 ?        ?        ?         ?        
1 1 1 30 26 9  o 108.7290 15.65281 127.6436   34.03830 127.6436   34.03830 ?          ?        108.7290 15.65281 ?        ?        ?         ?        
1 1 1 30 27 0  o 44.64262 26.79436 24.96142   41.98057 24.96142   41.98057 24.96142   41.98057 44.64262 26.79436 44.64262 26.79436 -0.000000 0.000000 
1 1 1 30 27 1  o 81.62528 17.86565 72.61504   28.36525 72.61504   28.36525 ?          ?        81.62528 17.86565 ?        ?        ?         ?        
1 1 1 30 27 2  o 67.31454 19.77790 49.35553   28.36525 49.35553   28.36525 ?          ?        67.31454 19.77790 ?        ?        ?         ?        
1 1 1 30 27 3  f 161.5563 10.53450 266.0660   34.03830 266.0660   34.03830 ?          ?        161.5563 10.53450 ?        ?        ?         ?        
1 1 1 30 27 4  o 98.53392 14.96939 101.5476   29.49986 101.5476   29.49986 ?          ?        98.53392 14.96939 ?        ?        ?         ?        
1 1 1 30 27 5  o 36.98265 16.67850 -10.21149  26.09603 -10.21149  26.09603 ?          ?        36.98265 16.67850 ?        ?        ?         ?        
1 1 1 30 27 6  o 51.00864 20.09139 20.42298   30.06716 20.42298   30.06716 ?          ?        51.00864 20.09139 ?        ?        ?         ?        
1 1 1 30 27 7  o 33.38451 16.27174 -56.16319  35.17290 -56.16319  35.17290 ?          ?        33.38451 16.27174 ?        ?        ?         ?        
1 1 1 30 27 8  o 81.05602 18.88084 75.45156   30.06716 75.45156   30.06716 ?          ?        81.05602 18.88084 ?        ?        ?         ?        
1 1 1 30 27 9  o 77.90434 19.35837 70.91312   30.06716 70.91312   30.06716 ?          ?        77.90434 19.35837 ?        ?        ?         ?        
1 1 1 30 28 0  o 145.1394 17.00672 224.0854   48.22092 224.0854   48.22092 224.0854   48.22092 145.1394 17.00672 145.1394 17.00672 -0.000000 0.000000 
1 1 1 30 28 1  o 68.68706 18.55703 51.62476   26.09603 51.62476   26.09603 ?          ?        68.68706 18.55703 ?        ?        ?         ?        
1 1 1 30 28 2  o 121.8810 11.63645 152.0377   28.36525 152.0377   28.36525 ?          ?        121.8810 11.63645 ?        ?        ?         ?        
1 1 1 30 28 3  o 107.2308 13.75531 119.1340   29.49986 119.1340   29.49986 ?          ?        107.2308 13.75531 ?        ?        ?         ?        
1 1 1 30 28 4  f 127.6652 12.22016 168.4896   31.20177 168.4896   31.20177 ?          ?        127.6652 12.22016 ?        ?        ?         ?        
1 1 1 30 28 5  f 42.24959 18.18236 1.701915   27.79794 1.701915   27.79794 ?          ?        42.24959 18.18236 ?        ?        ?         ?        
1 1 1 30 28 6  o 127.4133 11.79907 167.9223   30.06716 167.9223   30.06716 ?          ?        127.4133 11.79907 ?        ?        ?         ?        
1 1 1 30 28 7  o 62.51112 21.60587 42.54787   32.90369 42.54787   32.90369 ?          ?        62.51112 21.60587 ?        ?        ?         ?        
1 1 1 30 28 8  o 79.84584 21.78218 76.01886   35.74022 76.01886   35.74022 ?          ?        79.84584 21.78218 ?        ?        ?         ?        
1 1 1 30 28 9  o 76.97372 19.79201 69.77851   30.63447 69.77851   30.63447 ?          ?        76.97372 19.79201 ?        ?        ?         ?        
1 1 1 30 29 0  o 138.7140 15.68155 203.6625   42.54787 203.6625   42.54787 203.6625   42.54787 138.7140 15.68155 138.7140 15.68155 -0.000000 0.000000 
1 1 1 30 29 1  o 44.69529 18.65681 6.807660   27.79794 6.807660   27.79794 ?          ?        44.69529 18.65681 ?        ?        ?         ?        
1 1 1 30 29 2  o 207.8747 8.460120 437.9594   35.17290 437.9594   35.17290 ?          ?        207.8747 8.460120 ?        ?        ?         ?        
1 1 1 30 29 3  o 77.79383 18.78150 67.50929   28.93255 67.50929   28.93255 ?          ?        77.79383 18.78150 ?        ?        ?         ?        
1 1 1 30 29 4  o 50.60279 19.45410 20.99029   27.79794 20.99029   27.79794 ?          ?        50.60279 19.45410 ?        ?        ?         ?        
1 1 1 30 29 5  o 50.76844 19.47212 22.12490   27.79794 22.12490   27.79794 ?          ?        50.76844 19.47212 ?        ?        ?         ?        
1 1 1 30 29 6  o 51.92796 19.74139 23.82681   28.36525 23.82681   28.36525 ?          ?        51.92796 19.74139 ?        ?        ?         ?        
1 1 1 30 29 7  o 50.01649 19.70611 19.85567   28.93255 19.85567   28.93255 ?          ?        50.01649 19.70611 ?        ?        ?         ?        
1 1 1 30 29 8  o 56.62246 21.04094 32.33638   31.76908 32.33638   31.76908 ?          ?        56.62246 21.04094 ?        ?        ?         ?        
1 1 1 30 29 9  o 47.07217 19.40240 13.61532   29.49986 13.61532   29.49986 ?          ?        47.07217 19.40240 ?        ?        ?         ?        
1 1 1 30 30 0  o 29.61456 20.60071 -28.93255  41.41326 -28.93255  41.41326 -28.93255  41.41326 29.61456 20.60071 29.61456 20.60071 -0.000000 0.000000 
1 1 1 30 30 1  o 50.34531 19.74477 18.72106   28.93255 18.72106   28.93255 ?          ?        50.34531 19.74477 ?        ?        ?         ?        
1 1 1 30 30 2  o 96.85625 14.64296 98.14376   28.36525 98.14376   28.36525 ?          ?        96.85625 14.64296 ?        ?        ?         ?        
1 1 1 30 30 3  o 98.37411 13.84035 100.9803   27.23064 100.9803   27.23064 ?          ?        98.37411 13.84035 ?        ?        ?         ?        
1 1 1 30 30 4  o 166.7213 9.697734 284.2198   32.33638 284.2198   32.33638 ?          ?        166.7213 9.697734 ?        ?        ?         ?        
1 1 1 30 30 5  o 24.77103 12.46381 -77.15348  27.23064 -77.15348  27.23064 ?          ?        24.77103 12.46381 ?        ?        ?         ?        
1 1 1 30 30 6  o 113.2085 13.27955 134.4513   30.06716 134.4513   30.06716 ?          ?        113.2085 13.27955 ?        ?        ?         ?        
1 1 1 30 30 7  o 122.1493 11.61089 155.4416   28.36525 155.4416   28.36525 ?          ?        122.1493 11.61089 ?        ?        ?         ?        
1 1 1 30 30 8  o 51.17088 19.81079 23.25950   28.93255 23.25950   28.93255 ?          ?        51.17088 19.81079 ?        ?        ?         ?        
1 1 1 30 31 0  o 19.21348 14.22020 -87.36497  35.17290 -87.36497  35.17290 -87.36497  35.17290 19.21348 14.22020 19.21348 14.22020 -0.000000 0.000000 
1 1 1 30 31 1  o 71.01070 20.20355 56.73050   30.06716 56.73050   30.06716 ?          ?        71.01070 20.20355 ?        ?        ?         ?        
1 1 1 30 31 2  o 92.02323 15.10376 89.06688   27.79794 89.06688   27.79794 ?          ?        92.02323 15.10376 ?        ?        ?         ?        
1 1 1 30 31 3  o 54.37897 19.75146 28.36525   27.79794 28.36525   27.79794 ?          ?        54.37897 19.75146 ?        ?        ?         ?        
1 1 1 30 31 4  o 74.92973 17.67835 62.97085   26.09603 62.97085   26.09603 ?          ?        74.92973 17.67835 ?        ?        ?         ?        
1 1 1 30 31 5  o 117.7510 11.08102 142.9609   26.09603 142.9609   26.09603 ?          ?        117.7510 11.08102 ?        ?        ?         ?        
1 1 1 30 31 6  o 82.49060 17.39238 76.01886   27.79794 76.01886   27.79794 ?          ?        82.49060 17.39238 ?        ?        ?         ?        
1 1 1 30 31 7  o 63.37801 19.30148 45.95170   26.66333 45.95170   26.66333 ?          ?        63.37801 19.30148 ?        ?        ?         ?        
1 1 1 30 31 8  o 44.89526 18.90201 9.076880   28.93255 9.076880   28.93255 ?          ?        44.89526 18.90201 ?        ?        ?         ?        
1 1 1 30 32 0  o 32.15834 21.75830 -11.91340  39.71135 -11.91340  39.71135 -11.91340  39.71135 32.15834 21.75830 32.15834 21.75830 -0.000000 0.000000 
1 1 1 30 32 1  o 76.73326 17.71895 65.24007   26.66333 65.24007   26.66333 ?          ?        76.73326 17.71895 ?        ?        ?         ?        
1 1 1 30 32 2  o 30.04515 14.52758 -39.71135  26.66333 -39.71135  26.66333 ?          ?        30.04515 14.52758 ?        ?        ?         ?        
1 1 1 30 32 3  o 52.78028 19.82824 25.52872   28.36525 25.52872   28.36525 ?          ?        52.78028 19.82824 ?        ?        ?         ?        
1 1 1 30 32 4  o 167.5668 9.479524 287.0563   31.76908 287.0563   31.76908 ?          ?        167.5668 9.479524 ?        ?        ?         ?        
1 1 1 30 32 5  o 40.77555 17.95551 -2.836525  28.36525 -2.836525  28.36525 ?          ?        40.77555 17.95551 ?        ?        ?         ?        
1 1 1 30 32 6  o 107.1290 14.56272 121.9706   31.20177 121.9706   31.20177 ?          ?        107.1290 14.56272 ?        ?        ?         ?        
1 1 1 30 32 7  o 117.7984 11.55815 144.6628   27.23064 144.6628   27.23064 ?          ?        117.7984 11.55815 ?        ?        ?         ?        
1 1 1 30 32 8  o 91.65079 22.18113 101.5476   40.27865 101.5476   40.27865 ?          ?        91.65079 22.18113 ?        ?        ?         ?        
1 1 1 30 33 0  o 37.78227 24.18925 9.076880   39.71135 9.076880   39.71135 9.076880   39.71135 37.78227 24.18925 37.78227 24.18925 -0.000000 0.000000 
1 1 1 30 33 1  o 79.43716 18.83075 70.91312   29.49986 70.91312   29.49986 ?          ?        79.43716 18.83075 ?        ?        ?         ?        
1 1 1 30 33 2  f 48.37985 19.09985 17.58645   27.23064 17.58645   27.23064 ?          ?        48.37985 19.09985 ?        ?        ?         ?        
1 1 1 30 33 3  o 25.92517 12.92973 -68.07660  27.23064 -68.07660  27.23064 ?          ?        25.92517 12.92973 ?        ?        ?         ?        
1 1 1 30 33 4  o 74.51804 18.05459 62.40355   26.66333 62.40355   26.66333 ?          ?        74.51804 18.05459 ?        ?        ?         ?        
1 1 1 30 33 5  o 73.49744 18.51981 61.26894   27.23064 61.26894   27.23064 ?          ?        73.49744 18.51981 ?        ?        ?         ?        
1 1 1 30 33 6  o 30.36498 14.53457 -30.06716  24.96142 -30.06716  24.96142 ?          ?        30.36498 14.53457 ?        ?        ?         ?        
1 1 1 30 33 7  o 36.94779 16.66979 -8.509575  26.09603 -8.509575  26.09603 ?          ?        36.94779 16.66979 ?        ?        ?         ?        
1 1 1 30 34 0  f 31.47749 21.55465 -16.45185  40.84595 -16.45185  40.84595 -16.45185  40.84595 31.47749 21.55465 31.47749 21.55465 -0.000000 0.000000 
1 1 1 30 34 1  o 73.35955 18.23013 60.70163   26.66333 60.70163   26.66333 ?          ?        73.35955 18.23013 ?        ?        ?         ?        
1 1 1 30 34 2  o 97.91554 14.48455 100.9803   28.36525 100.9803   28.36525 ?          ?        97.91554 14.48455 ?        ?        ?         ?        
1 1 1 30 34 3  f 35.86803 16.30126 -11.91340  25.52872 -11.91340  25.52872 ?          ?        35.86803 16.30126 ?        ?        ?         ?        
1 1 1 30 34 4  o 53.18419 19.34155 27.79794   26.66333 27.79794   26.66333 ?          ?        53.18419 19.34155 ?        ?        ?         ?        
1 1 1 30 34 5  o 104.4422 14.39417 115.7302   30.06716 115.7302   30.06716 ?          ?        104.4422 14.39417 ?        ?        ?         ?        
1 1 1 30 34 6  o 175.1575 8.744835 314.2870   30.63447 314.2870   30.63447 ?          ?        175.1575 8.744835 ?        ?        ?         ?        
1 1 1 30 34 7  o 47.92707 19.51896 15.88454   29.49986 15.88454   29.49986 ?          ?        47.92707 19.51896 ?        ?        ?         ?        
1 1 1 30 35 0  f 21.90389 16.10459 -82.82652  40.27865 -82.82652  40.27865 -82.82652  40.27865 21.90389 16.10459 21.90389 16.10459 -0.000000 0.000000 
1 1 1 30 35 1  o 126.5469 10.53496 164.5184   26.66333 164.5184   26.66333 ?          ?        126.5469 10.53496 ?        ?        ?         ?        
1 1 1 30 35 2  o 33.23197 15.91770 -36.87482  30.06716 -36.87482  30.06716 ?          ?        33.23197 15.91770 ?        ?        ?         ?        
1 1 1 30 35 3  o 41.15978 18.12938 -2.836525  28.93255 -2.836525  28.93255 ?          ?        41.15978 18.12938 ?        ?        ?         ?        
1 1 1 30 35 4  f 43.80140 18.16687 9.076880   26.09603 9.076880   26.09603 ?          ?        43.80140 18.16687 ?        ?        ?         ?        
1 1 1 30 35 5  o 75.68998 17.87702 65.24007   26.66333 65.24007   26.66333 ?          ?        75.68998 17.87702 ?        ?        ?         ?        
1 1 1 30 35 6  f 145.3978 10.53471 218.9797   30.63447 218.9797   30.63447 ?          ?        145.3978 10.53471 ?        ?        ?         ?        
1 1 1 30 35 7  o 37.10580 16.78965 -9.076880  26.66333 -9.076880  26.66333 ?          ?        37.10580 16.78965 ?        ?        ?         ?        
1 1 1 30 36 0  o 63.23212 30.26958 65.24007   43.68248 65.24007   43.68248 65.24007   43.68248 63.23212 30.26958 63.23212 30.26958 -0.000000 0.000000 
1 1 1 30 36 1  o 39.63015 17.43004 -2.836525  26.66333 -2.836525  26.66333 ?          ?        39.63015 17.43004 ?        ?        ?         ?        
1 1 1 30 36 2  o 36.92981 16.91005 -15.31723  28.36525 -15.31723  28.36525 ?          ?        36.92981 16.91005 ?        ?        ?         ?        
1 1 1 30 36 3  o 77.43799 17.92272 67.50929   27.23064 67.50929   27.23064 ?          ?        77.43799 17.92272 ?        ?        ?         ?        
1 1 1 30 36 4  o 132.4760 11.56227 182.6722   30.63447 182.6722   30.63447 ?          ?        132.4760 11.56227 ?        ?        ?         ?        
1 1 1 30 36 5  o 27.60310 13.61254 -55.02858  27.23064 -55.02858  27.23064 ?          ?        27.60310 13.61254 ?        ?        ?         ?        
1 1 1 30 36 6  o 28.36188 13.86037 -44.24979  26.09603 -44.24979  26.09603 ?          ?        28.36188 13.86037 ?        ?        ?         ?        
1 1 1 30 37 0  o 54.09823 28.14211 48.22092   39.14404 48.22092   39.14404 48.22092   39.14404 54.09823 28.14211 54.09823 28.14211 -0.000000 0.000000 
1 1 1 30 37 1  o 95.26065 14.29270 95.87454   27.23064 95.87454   27.23064 ?          ?        95.26065 14.29270 ?        ?        ?         ?        
1 1 1 30 37 2  o 63.84899 19.27296 45.95170   26.66333 45.95170   26.66333 ?          ?        63.84899 19.27296 ?        ?        ?         ?        
1 1 1 30 37 3  f 62.88869 19.08362 44.81709   26.09603 44.81709   26.09603 ?          ?        62.88869 19.08362 ?        ?        ?         ?        
1 1 1 30 37 4  o 35.65821 16.49232 -17.58645  27.79794 -17.58645  27.79794 ?          ?        35.65821 16.49232 ?        ?        ?         ?        
1 1 1 30 37 5  o 75.57245 19.41633 66.37468   29.49986 66.37468   29.49986 ?          ?        75.57245 19.41633 ?        ?        ?         ?        
1 1 1 30 37 6  o 56.68244 19.64907 35.17290   27.23064 35.17290   27.23064 ?          ?        56.68244 19.64907 ?        ?        ?         ?        
1 1 1 30 38 0  o 92.84619 26.14168 110.6245   41.98057 110.6245   41.98057 110.6245   41.98057 92.84619 26.14168 92.84619 26.14168 -0.000000 0.000000 
1 1 1 30 38 1  o 63.03060 18.56419 44.81709   24.96142 44.81709   24.96142 ?          ?        63.03060 18.56419 ?        ?        ?         ?        
1 1 1 30 38 2  o 33.08755 15.55593 -24.39412  26.66333 -24.39412  26.66333 ?          ?        33.08755 15.55593 ?        ?        ?         ?        
1 1 1 30 38 3  o 63.74833 19.27905 46.51900   26.66333 46.51900   26.66333 ?          ?        63.74833 19.27905 ?        ?        ?         ?        
1 1 1 30 38 4  o 43.17459 17.94139 9.076880   25.52872 9.076880   25.52872 ?          ?        43.17459 17.94139 ?        ?        ?         ?        
1 1 1 30 38 5  o 76.21566 18.10792 66.94199   27.23064 66.94199   27.23064 ?          ?        76.21566 18.10792 ?        ?        ?         ?        
1 1 1 30 39 0  o 42.22803 25.21671 24.96142   36.87482 24.96142   36.87482 24.96142   36.87482 42.22803 25.21671 42.22803 25.21671 -0.000000 0.000000 
1 1 1 30 39 1  o 147.9387 9.586825 225.2201   28.36525 225.2201   28.36525 ?          ?        147.9387 9.586825 ?        ?        ?         ?        
1 1 1 30 39 2  o 56.44298 20.87651 32.33638   31.20177 32.33638   31.20177 ?          ?        56.44298 20.87651 ?        ?        ?         ?        
1 1 1 30 39 3  o 67.53236 19.75749 52.75936   28.36525 52.75936   28.36525 ?          ?        67.53236 19.75749 ?        ?        ?         ?        
1 1 1 30 39 4  o 49.06265 19.01319 20.99029   26.66333 20.99029   26.66333 ?          ?        49.06265 19.01319 ?        ?        ?         ?        
1 1 1 30 39 5  o 41.81739 17.89561 4.538440   26.66333 4.538440   26.66333 ?          ?        41.81739 17.89561 ?        ?        ?         ?        
1 1 1 30 40 0  o 31.86083 21.74394 -13.61532  40.84595 -13.61532  40.84595 -13.61532  40.84595 31.86083 21.74394 31.86083 21.74394 -0.000000 0.000000 
1 1 1 30 40 1  o 100.5317 13.82546 107.2206   27.79794 107.2206   27.79794 ?          ?        100.5317 13.82546 ?        ?        ?         ?        
1 1 1 30 40 2  o 67.61350 19.22374 52.75936   27.23064 52.75936   27.23064 ?          ?        67.61350 19.22374 ?        ?        ?         ?        
1 1 1 30 40 3  o 78.51208 18.37150 70.91312   28.36525 70.91312   28.36525 ?          ?        78.51208 18.37150 ?        ?        ?         ?        
1 1 1 30 40 4  o 35.15186 16.14759 -14.18262  26.09603 -14.18262  26.09603 ?          ?        35.15186 16.14759 ?        ?        ?         ?        
1 1 1 30 41 0  o 26.31410 18.60941 -32.90369  36.87482 -32.90369  36.87482 -32.90369  36.87482 26.31410 18.60941 26.31410 18.60941 -0.000000 0.000000 
1 1 1 30 41 1  o 82.21031 17.43617 76.58617   27.79794 76.58617   27.79794 ?          ?        82.21031 17.43617 ?        ?        ?         ?        
1 1 1 30 41 2  o 112.1731 12.64352 132.7494   28.36525 132.7494   28.36525 ?          ?        112.1731 12.64352 ?        ?        ?         ?        
1 1 1 30 41 3  o 47.61280 20.10714 10.77879   32.90369 10.77879   32.90369 ?          ?        47.61280 20.10714 ?        ?        ?         ?        
1 1 1 30 42 0  o 22.17019 16.29265 -80.55730  40.84595 -80.55730  40.84595 -80.55730  40.84595 22.17019 16.29265 22.17019 16.29265 -0.000000 0.000000 
1 1 1 30 42 1  o 87.50246 16.80791 86.23035   28.36525 86.23035   28.36525 ?          ?        87.50246 16.80791 ?        ?        ?         ?        
1 1 1 30 42 2  f 59.68051 19.87686 40.27865   27.79794 40.27865   27.79794 ?          ?        59.68051 19.87686 ?        ?        ?         ?        
1 1 1 30 43 0  o 25.41125 18.01755 -32.90369  35.17290 -32.90369  35.17290 -32.90369  35.17290 25.41125 18.01755 25.41125 18.01755 -0.000000 0.000000 
1 1 1 31 0  1  o 145.6462 28.61542 242.8065   74.31695 242.8065   74.31695 242.8065   74.31695 145.6462 28.61542 145.6462 28.61542 -0.000000 0.000000 
1 1 1 31 0  3  o 85.23037 41.69869 117.9994   83.39383 117.9994   83.39383 117.9994   83.39383 85.23037 41.69869 85.23037 41.69869 -0.000000 0.000000 
1 1 1 31 0  4  o 48.08830 32.02041 -7.374964  79.42269 -7.374964  79.42269 -7.374964  79.42269 48.08830 32.02041 48.08830 32.02041 -0.000000 0.000000 
1 1 1 31 0  5  f 58.93398 36.07417 43.11518   79.42269 43.11518   79.42269 43.11518   79.42269 58.93398 36.07417 58.93398 36.07417 -0.000000 0.000000 
1 1 1 31 0  6  f 65.52370 37.07818 68.64390   73.74965 68.64390   73.74965 68.64390   73.74965 65.52370 37.07818 65.52370 37.07818 -0.000000 0.000000 
1 1 1 31 0  7  o 36.88156 25.77302 -47.65361  66.37468 -47.65361  66.37468 -47.65361  66.37468 36.88156 25.77302 36.88156 25.77302 -0.000000 0.000000 
1 1 1 31 0  8  o 63.21251 32.44594 66.37468   51.62476 66.37468   51.62476 66.37468   51.62476 63.21251 32.44594 63.21251 32.44594 -0.000000 0.000000 
1 1 1 31 0  9  o 64.01423 35.22031 70.34581   64.10546 70.34581   64.10546 70.34581   64.10546 64.01423 35.22031 64.01423 35.22031 -0.000000 0.000000 
1 1 1 31 0  10 o 39.02728 25.94315 -0.5673050 51.62476 -0.5673050 51.62476 -0.5673050 51.62476 39.02728 25.94315 39.02728 25.94315 -0.000000 0.000000 
1 1 1 31 0  11 o 178.7128 18.61360 347.7579   65.24007 347.7579   65.24007 347.7579   65.24007 178.7128 18.61360 178.7128 18.61360 -0.000000 0.000000 
1 1 1 31 1  1  o 80.66343 26.17801 69.77851   48.22092 69.77851   48.22092 ?          ?        80.66343 26.17801 ?        ?        ?         ?        
1 1 1 31 1  2  o 100.7562 39.26280 101.5476   114.0283 101.5476   114.0283 ?          ?        100.7562 39.26280 ?        ?        ?         ?        
1 1 1 31 1  3  o 76.95438 29.36770 52.19205   62.97085 52.19205   62.97085 ?          ?        76.95438 29.36770 ?        ?        ?         ?        
1 1 1 31 1  4  o 84.84563 27.96635 78.28809   55.02858 78.28809   55.02858 ?          ?        84.84563 27.96635 ?        ?        ?         ?        
1 1 1 31 1  5  o 82.39637 30.45416 68.64390   66.37468 68.64390   66.37468 ?          ?        82.39637 30.45416 ?        ?        ?         ?        
1 1 1 31 1  6  o 54.53527 23.91860 -2.836525  49.92284 -2.836525  49.92284 ?          ?        54.53527 23.91860 ?        ?        ?         ?        
1 1 1 31 1  7  o 131.6765 19.17204 184.3741   50.49014 184.3741   50.49014 ?          ?        131.6765 19.17204 ?        ?        ?         ?        
1 1 1 31 1  8  o 49.10093 22.07729 -11.34610  45.38440 -11.34610  45.38440 ?          ?        49.10093 22.07729 ?        ?        ?         ?        
1 1 1 31 1  9  o 45.62820 20.98814 -22.69220  44.24979 -22.69220  44.24979 ?          ?        45.62820 20.98814 ?        ?        ?         ?        
1 1 1 31 1  10 o 100.0570 18.25339 112.3264   35.17290 112.3264   35.17290 ?          ?        100.0570 18.25339 ?        ?        ?         ?        
1 1 1 31 1  11 o 55.59094 22.85820 23.25950   40.84595 23.25950   40.84595 ?          ?        55.59094 22.85820 ?        ?        ?         ?        
1 1 1 31 2  1  o 67.58698 27.00296 31.20177   55.02858 31.20177   55.02858 ?          ?        67.58698 27.00296 ?        ?        ?         ?        
1 1 1 31 2  2  o 85.88654 31.16891 74.88425   69.21120 74.88425   69.21120 ?          ?        85.88654 31.16891 ?        ?        ?         ?        
1 1 1 31 2  3  o 52.12514 23.93720 -34.03830  57.29780 -34.03830  57.29780 ?          ?        52.12514 23.93720 ?        ?        ?         ?        
1 1 1 31 2  4  o 77.37839 28.45860 57.86510   57.86510 57.86510   57.86510 ?          ?        77.37839 28.45860 ?        ?        ?         ?        
1 1 1 31 2  5  o 81.58867 32.08798 58.99971   76.58617 58.99971   76.58617 ?          ?        81.58867 32.08798 ?        ?        ?         ?        
1 1 1 31 2  6  o 139.1909 18.13701 204.2298   50.49014 204.2298   50.49014 ?          ?        139.1909 18.13701 ?        ?        ?         ?        
1 1 1 31 2  7  o 112.3447 24.89763 144.0954   54.46128 144.0954   54.46128 ?          ?        112.3447 24.89763 ?        ?        ?         ?        
1 1 1 31 2  8  o 48.83466 22.01079 -12.48071  45.38440 -12.48071  45.38440 ?          ?        48.83466 22.01079 ?        ?        ?         ?        
1 1 1 31 2  9  o 53.23870 21.88703 17.01915   37.44213 17.01915   37.44213 ?          ?        53.23870 21.88703 ?        ?        ?         ?        
1 1 1 31 2  10 f 75.30064 22.44189 66.94199   36.30752 66.94199   36.30752 ?          ?        75.30064 22.44189 ?        ?        ?         ?        
1 1 1 31 2  11 o 54.94128 22.23731 24.39412   38.00943 24.39412   38.00943 ?          ?        54.94128 22.23731 ?        ?        ?         ?        
1 1 1 31 3  1  o 40.49468 19.64529 -78.85539  49.92284 -78.85539  49.92284 ?          ?        40.49468 19.64529 ?        ?        ?         ?        
1 1 1 31 3  2  o 142.4212 29.08815 230.3258   79.99000 230.3258   79.99000 ?          ?        142.4212 29.08815 ?        ?        ?         ?        
1 1 1 31 3  3  o 44.83757 21.62253 -80.55730  57.86510 -80.55730  57.86510 ?          ?        44.83757 21.62253 ?        ?        ?         ?        
1 1 1 31 3  4  o 70.32744 29.05875 27.23064   66.37468 27.23064   66.37468 ?          ?        70.32744 29.05875 ?        ?        ?         ?        
1 1 1 31 3  5  o 86.14535 27.80685 82.82652   54.46128 82.82652   54.46128 ?          ?        86.14535 27.80685 ?        ?        ?         ?        
1 1 1 31 3  6  o 107.5923 22.11330 128.7782   45.95170 128.7782   45.95170 ?          ?        107.5923 22.11330 ?        ?        ?         ?        
1 1 1 31 3  7  o 50.48693 23.24878 -30.63447  54.46128 -30.63447  54.46128 ?          ?        50.48693 23.24878 ?        ?        ?         ?        
1 1 1 31 3  8  o 36.52443 17.93219 -79.99000  44.81709 -79.99000  44.81709 ?          ?        36.52443 17.93219 ?        ?        ?         ?        
1 1 1 31 3  9  o 51.33900 21.46275 12.48071   36.87482 12.48071   36.87482 ?          ?        51.33900 21.46275 ?        ?        ?         ?        
1 1 1 31 3  10 o 123.0583 13.83015 159.9800   34.03830 159.9800   34.03830 ?          ?        123.0583 13.83015 ?        ?        ?         ?        
1 1 1 31 3  11 o 137.0079 12.62905 197.9895   34.60560 197.9895   34.60560 ?          ?        137.0079 12.62905 ?        ?        ?         ?        
1 1 1 31 4  1  o 102.9725 26.11872 119.1340   53.89397 119.1340   53.89397 ?          ?        102.9725 26.11872 ?        ?        ?         ?        
1 1 1 31 4  2  o 145.2527 26.14424 234.2970   73.18234 234.2970   73.18234 ?          ?        145.2527 26.14424 ?        ?        ?         ?        
1 1 1 31 4  3  o 83.93703 29.68142 72.61504   62.40355 72.61504   62.40355 ?          ?        83.93703 29.68142 ?        ?        ?         ?        
1 1 1 31 4  4  o 114.4120 27.55846 149.2012   62.40355 149.2012   62.40355 ?          ?        114.4120 27.55846 ?        ?        ?         ?        
1 1 1 31 4  5  o 98.69953 24.74071 110.0572   48.78823 110.0572   48.78823 ?          ?        98.69953 24.74071 ?        ?        ?         ?        
1 1 1 31 4  6  o 135.1495 20.35841 195.1529   55.02858 195.1529   55.02858 ?          ?        135.1495 20.35841 ?        ?        ?         ?        
1 1 1 31 4  7  o 48.32116 22.62128 -41.98057  54.46128 -41.98057  54.46128 ?          ?        48.32116 22.62128 ?        ?        ?         ?        
1 1 1 31 4  8  o 93.52307 22.15055 100.4130   40.84595 100.4130   40.84595 ?          ?        93.52307 22.15055 ?        ?        ?         ?        
1 1 1 31 4  9  o 93.21383 20.90638 99.27837   38.00943 99.27837   38.00943 ?          ?        93.21383 20.90638 ?        ?        ?         ?        
1 1 1 31 4  10 o 53.10138 21.53421 20.42298   35.74022 20.42298   35.74022 ?          ?        53.10138 21.53421 ?        ?        ?         ?        
1 1 1 31 4  11 o 36.85498 17.39965 -30.63447  34.03830 -30.63447  34.03830 ?          ?        36.85498 17.39965 ?        ?        ?         ?        
1 1 1 31 5  0  o 238.3343 23.50658 603.0452   110.0572 603.0452   110.0572 603.0452   110.0572 238.3343 23.50658 238.3343 23.50658 -0.000000 0.000000 
1 1 1 31 5  1  o 106.6621 27.28083 128.7782   58.43241 128.7782   58.43241 ?          ?        106.6621 27.28083 ?        ?        ?         ?        
1 1 1 31 5  2  o 110.7396 30.17711 141.2589   68.64390 141.2589   68.64390 ?          ?        110.7396 30.17711 ?        ?        ?         ?        
1 1 1 31 5  3  o 73.47997 27.38528 49.35553   53.89397 49.35553   53.89397 ?          ?        73.47997 27.38528 ?        ?        ?         ?        
1 1 1 31 5  4  o 85.55267 31.27194 74.88425   69.77851 74.88425   69.77851 ?          ?        85.55267 31.27194 ?        ?        ?         ?        
1 1 1 31 5  5  o 63.53902 25.66561 26.09603   50.49014 26.09603   50.49014 ?          ?        63.53902 25.66561 ?        ?        ?         ?        
1 1 1 31 5  6  o 73.23952 24.26114 57.86510   41.41326 57.86510   41.41326 ?          ?        73.23952 24.26114 ?        ?        ?         ?        
1 1 1 31 5  7  o 44.32169 21.24915 -64.67276  53.89397 -64.67276  53.89397 ?          ?        44.32169 21.24915 ?        ?        ?         ?        
1 1 1 31 5  8  o 60.48141 24.09170 28.93255   43.68248 28.93255   43.68248 ?          ?        60.48141 24.09170 ?        ?        ?         ?        
1 1 1 31 5  9  o 49.09135 21.19547 3.971134   38.00943 3.971134   38.00943 ?          ?        49.09135 21.19547 ?        ?        ?         ?        
1 1 1 31 5  10 o 64.47655 22.33334 46.51900   35.17290 46.51900   35.17290 ?          ?        64.47655 22.33334 ?        ?        ?         ?        
1 1 1 31 5  11 o 56.06065 22.07912 28.93255   36.30752 28.93255   36.30752 ?          ?        56.06065 22.07912 ?        ?        ?         ?        
1 1 1 31 6  0  o 134.5228 38.92754 233.7296   90.76879 233.7296   90.76879 233.7296   90.76879 134.5228 38.92754 134.5228 38.92754 -0.000000 0.000000 
1 1 1 31 6  1  o 84.04671 26.73836 77.15348   50.49014 77.15348   50.49014 ?          ?        84.04671 26.73836 ?        ?        ?         ?        
1 1 1 31 6  2  f 73.05719 27.23817 48.78823   53.32666 48.78823   53.32666 ?          ?        73.05719 27.23817 ?        ?        ?         ?        
1 1 1 31 6  3  o 106.2588 28.12037 128.2109   60.70163 128.2109   60.70163 ?          ?        106.2588 28.12037 ?        ?        ?         ?        
1 1 1 31 6  4  o 96.22039 27.68926 105.5187   56.16319 105.5187   56.16319 ?          ?        96.22039 27.68926 ?        ?        ?         ?        
1 1 1 31 6  5  o 61.58452 24.22957 28.36525   43.68248 28.36525   43.68248 ?          ?        61.58452 24.22957 ?        ?        ?         ?        
1 1 1 31 6  6  o 113.9246 22.20471 144.0954   48.78823 144.0954   48.78823 ?          ?        113.9246 22.20471 ?        ?        ?         ?        
1 1 1 31 6  7  o 69.73710 26.49346 45.38440   51.05745 45.38440   51.05745 ?          ?        69.73710 26.49346 ?        ?        ?         ?        
1 1 1 31 6  8  o 76.47010 22.78973 66.94199   37.44213 66.94199   37.44213 ?          ?        76.47010 22.78973 ?        ?        ?         ?        
1 1 1 31 6  9  o 59.13555 22.87941 31.20177   38.57674 31.20177   38.57674 ?          ?        59.13555 22.87941 ?        ?        ?         ?        
1 1 1 31 6  10 o 74.82663 22.25880 66.37468   35.74022 66.37468   35.74022 ?          ?        74.82663 22.25880 ?        ?        ?         ?        
1 1 1 31 6  11 o 83.81239 22.04171 85.09574   37.44213 85.09574   37.44213 ?          ?        83.81239 22.04171 ?        ?        ?         ?        
1 1 1 31 7  0  o 164.9900 37.53898 329.0369   107.7879 329.0369   107.7879 329.0369   107.7879 164.9900 37.53898 164.9900 37.53898 -0.000000 0.000000 
1 1 1 31 7  1  o 83.92280 28.93893 74.31695   58.99971 74.31695   58.99971 ?          ?        83.92280 28.93893 ?        ?        ?         ?        
1 1 1 31 7  2  o 63.56868 26.03168 21.55759   52.75936 21.55759   52.75936 ?          ?        63.56868 26.03168 ?        ?        ?         ?        
1 1 1 31 7  3  o 98.82223 37.26770 100.9803   100.4130 100.9803   100.4130 ?          ?        98.82223 37.26770 ?        ?        ?         ?        
1 1 1 31 7  4  f 163.4401 16.48738 277.4121   53.89397 277.4121   53.89397 ?          ?        163.4401 16.48738 ?        ?        ?         ?        
1 1 1 31 7  5  o 89.50275 26.02239 90.76879   49.35553 90.76879   49.35553 ?          ?        89.50275 26.02239 ?        ?        ?         ?        
1 1 1 31 7  6  o 72.71049 26.05307 53.89397   48.22092 53.89397   48.22092 ?          ?        72.71049 26.05307 ?        ?        ?         ?        
1 1 1 31 7  7  o 59.45865 22.77981 30.06716   38.00943 30.06716   38.00943 ?          ?        59.45865 22.77981 ?        ?        ?         ?        
1 1 1 31 7  8  f 35.63217 17.03585 -40.27865  34.03830 -40.27865  34.03830 ?          ?        35.63217 17.03585 ?        ?        ?         ?        
1 1 1 31 7  9  o 46.32728 20.54433 -5.105744  38.00943 -5.105744  38.00943 ?          ?        46.32728 20.54433 ?        ?        ?         ?        
1 1 1 31 7  10 o 56.83644 20.89811 32.90369   31.20177 32.90369   31.20177 ?          ?        56.83644 20.89811 ?        ?        ?         ?        
1 1 1 31 7  11 o 57.04482 21.37042 33.47099   32.90369 33.47099   32.90369 ?          ?        57.04482 21.37042 ?        ?        ?         ?        
1 1 1 31 8  0  o 132.0555 34.89006 216.7105   79.42269 216.7105   79.42269 216.7105   79.42269 132.0555 34.89006 132.0555 34.89006 -0.000000 0.000000 
1 1 1 31 8  1  o 55.11295 25.73486 -52.75936  69.77851 -52.75936  69.77851 ?          ?        55.11295 25.73486 ?        ?        ?         ?        
1 1 1 31 8  2  o 156.1669 14.53073 250.1815   45.38440 250.1815   45.38440 ?          ?        156.1669 14.53073 ?        ?        ?         ?        
1 1 1 31 8  3  f 66.69689 28.17916 15.31723   64.67276 15.31723   64.67276 ?          ?        66.69689 28.17916 ?        ?        ?         ?        
1 1 1 31 8  4  o 41.66824 20.13998 -73.74965  51.05745 -73.74965  51.05745 ?          ?        41.66824 20.13998 ?        ?        ?         ?        
1 1 1 31 8  5  o 90.88721 25.09387 93.60532   47.08631 93.60532   47.08631 ?          ?        90.88721 25.09387 ?        ?        ?         ?        
1 1 1 31 8  6  o 97.65196 24.20090 108.3553   47.08631 108.3553   47.08631 ?          ?        97.65196 24.20090 ?        ?        ?         ?        
1 1 1 31 8  7  o 50.80259 21.95368 2.269220   40.84595 2.269220   40.84595 ?          ?        50.80259 21.95368 ?        ?        ?         ?        
1 1 1 31 8  8  o 97.43217 19.01953 105.5187   35.74022 105.5187   35.74022 ?          ?        97.43217 19.01953 ?        ?        ?         ?        
1 1 1 31 8  9  o 89.78568 20.09281 91.90340   35.17290 91.90340   35.17290 ?          ?        89.78568 20.09281 ?        ?        ?         ?        
1 1 1 31 8  10 o 125.3278 14.03236 166.7877   35.17290 166.7877   35.17290 ?          ?        125.3278 14.03236 ?        ?        ?         ?        
1 1 1 31 8  11 o 95.24740 17.93062 103.2495   32.90369 103.2495   32.90369 ?          ?        95.24740 17.93062 ?        ?        ?         ?        
1 1 1 31 9  1  o 137.5425 36.80060 228.6239   103.2495 228.6239   103.2495 ?          ?        137.5425 36.80060 ?        ?        ?         ?        
1 1 1 31 9  2  o 122.5033 17.13447 155.4416   41.98057 155.4416   41.98057 ?          ?        122.5033 17.13447 ?        ?        ?         ?        
1 1 1 31 9  3  o 101.3378 22.16252 112.8937   43.68248 112.8937   43.68248 ?          ?        101.3378 22.16252 ?        ?        ?         ?        
1 1 1 31 9  4  o 108.0849 20.17020 127.0763   41.98057 127.0763   41.98057 ?          ?        108.0849 20.17020 ?        ?        ?         ?        
1 1 1 31 9  5  o 155.4642 16.42097 251.8834   51.05745 251.8834   51.05745 ?          ?        155.4642 16.42097 ?        ?        ?         ?        
1 1 1 31 9  6  o 76.23090 29.90420 51.62476   66.37468 51.62476   66.37468 ?          ?        76.23090 29.90420 ?        ?        ?         ?        
1 1 1 31 9  7  o 44.04081 19.70273 -10.21149  35.74022 -10.21149  35.74022 ?          ?        44.04081 19.70273 ?        ?        ?         ?        
1 1 1 31 9  8  o 59.91863 22.30704 34.60560   35.74022 34.60560   35.74022 ?          ?        59.91863 22.30704 ?        ?        ?         ?        
1 1 1 31 9  9  o 42.36597 18.72274 -3.971134  31.20177 -3.971134  31.20177 ?          ?        42.36597 18.72274 ?        ?        ?         ?        
1 1 1 31 9  10 o 106.4808 15.45052 121.9706   32.90369 121.9706   32.90369 ?          ?        106.4808 15.45052 ?        ?        ?         ?        
1 1 1 31 9  11 o 77.12933 22.74268 72.61504   37.44213 72.61504   37.44213 ?          ?        77.12933 22.74268 ?        ?        ?         ?        
1 1 1 31 10 1  o 131.3951 21.15600 182.1049   55.59589 182.1049   55.59589 ?          ?        131.3951 21.15600 ?        ?        ?         ?        
1 1 1 31 10 2  o 96.05082 27.51928 103.8168   55.59589 103.8168   55.59589 ?          ?        96.05082 27.51928 ?        ?        ?         ?        
1 1 1 31 10 3  o 47.31652 22.17135 -45.38440  52.75936 -45.38440  52.75936 ?          ?        47.31652 22.17135 ?        ?        ?         ?        
1 1 1 31 10 4  o 56.88941 23.14096 18.15376   41.41326 18.15376   41.41326 ?          ?        56.88941 23.14096 ?        ?        ?         ?        
1 1 1 31 10 5  o 58.96637 23.94229 20.99029   44.24979 20.99029   44.24979 ?          ?        58.96637 23.94229 ?        ?        ?         ?        
1 1 1 31 10 6  o 43.45815 21.41039 -129.3455  66.94199 -129.3455  66.94199 ?          ?        43.45815 21.41039 ?        ?        ?         ?        
1 1 1 31 10 7  f 38.23705 18.02800 -35.74022  36.30752 -35.74022  36.30752 ?          ?        38.23705 18.02800 ?        ?        ?         ?        
1 1 1 31 10 8  f 113.9876 15.67723 137.8551   35.74022 137.8551   35.74022 ?          ?        113.9876 15.67723 ?        ?        ?         ?        
1 1 1 31 10 9  f 41.35767 18.80335 -13.61532  34.03830 -13.61532  34.03830 ?          ?        41.35767 18.80335 ?        ?        ?         ?        
1 1 1 31 10 10 o 91.95653 18.23057 95.87454   32.33638 95.87454   32.33638 ?          ?        91.95653 18.23057 ?        ?        ?         ?        
1 1 1 31 10 11 o 52.03373 21.15771 20.42298   34.60560 20.42298   34.60560 ?          ?        52.03373 21.15771 ?        ?        ?         ?        
1 1 1 31 11 0  f 40.71144 29.03905 -101.5476  95.30723 -101.5476  95.30723 -101.5476  95.30723 40.71144 29.03905 40.71144 29.03905 -0.000000 0.000000 
1 1 1 31 11 1  o 113.0852 22.87278 140.1243   49.92284 140.1243   49.92284 ?          ?        113.0852 22.87278 ?        ?        ?         ?        
1 1 1 31 11 2  o 87.58183 27.76050 84.52843   54.46128 84.52843   54.46128 ?          ?        87.58183 27.76050 ?        ?        ?         ?        
1 1 1 31 11 3  o 80.89281 26.63737 70.91312   49.92284 70.91312   49.92284 ?          ?        80.89281 26.63737 ?        ?        ?         ?        
1 1 1 31 11 4  o 51.16249 22.54654 -6.240355  44.81709 -6.240355  44.81709 ?          ?        51.16249 22.54654 ?        ?        ?         ?        
1 1 1 31 11 5  o 49.96700 21.92418 -3.971134  41.98057 -3.971134  41.98057 ?          ?        49.96700 21.92418 ?        ?        ?         ?        
1 1 1 31 11 6  o 103.6591 19.59524 117.4321   39.14404 117.4321   39.14404 ?          ?        103.6591 19.59524 ?        ?        ?         ?        
1 1 1 31 11 7  o 32.00714 15.72820 -64.67276  34.60560 -64.67276  34.60560 ?          ?        32.00714 15.72820 ?        ?        ?         ?        
1 1 1 31 11 8  o 47.48040 20.08193 7.942269   32.90369 7.942269   32.90369 ?          ?        47.48040 20.08193 ?        ?        ?         ?        
1 1 1 31 11 9  o 202.5535 10.64291 423.2095   43.11518 423.2095   43.11518 ?          ?        202.5535 10.64291 ?        ?        ?         ?        
1 1 1 31 11 10 o 78.09962 19.62143 70.91312   30.63447 70.91312   30.63447 ?          ?        78.09962 19.62143 ?        ?        ?         ?        
1 1 1 31 11 11 o 90.95415 17.46363 93.60532   30.63447 93.60532   30.63447 ?          ?        90.95415 17.46363 ?        ?        ?         ?        
1 1 1 31 12 0  o 52.78195 34.78447 1.134610   90.20149 1.134610   90.20149 1.134610   90.20149 52.78195 34.78447 52.78195 34.78447 -0.000000 0.000000 
1 1 1 31 12 1  o 102.1148 26.65982 117.4321   55.02858 117.4321   55.02858 ?          ?        102.1148 26.65982 ?        ?        ?         ?        
1 1 1 31 12 2  o 70.75330 26.71023 44.24979   51.62476 44.24979   51.62476 ?          ?        70.75330 26.71023 ?        ?        ?         ?        
1 1 1 31 12 3  o 106.3507 21.55566 124.2398   44.24979 124.2398   44.24979 ?          ?        106.3507 21.55566 ?        ?        ?         ?        
1 1 1 31 12 4  o 63.78039 25.23922 30.06716   47.65361 30.06716   47.65361 ?          ?        63.78039 25.23922 ?        ?        ?         ?        
1 1 1 31 12 5  o 98.92689 20.99363 108.3553   40.27865 108.3553   40.27865 ?          ?        98.92689 20.99363 ?        ?        ?         ?        
1 1 1 31 12 6  o 105.7941 19.20833 121.9706   39.14404 121.9706   39.14404 ?          ?        105.7941 19.20833 ?        ?        ?         ?        
1 1 1 31 12 7  o 54.01126 22.10276 17.58645   38.00943 17.58645   38.00943 ?          ?        54.01126 22.10276 ?        ?        ?         ?        
1 1 1 31 12 8  o 80.59827 19.82000 74.31695   31.76908 74.31695   31.76908 ?          ?        80.59827 19.82000 ?        ?        ?         ?        
1 1 1 31 12 9  o 74.03972 19.88123 62.97085   30.06716 62.97085   30.06716 ?          ?        74.03972 19.88123 ?        ?        ?         ?        
1 1 1 31 12 10 f 87.42196 18.12934 86.79766   30.63447 86.79766   30.63447 ?          ?        87.42196 18.12934 ?        ?        ?         ?        
1 1 1 31 13 0  o 36.80585 26.99439 -200.2587  107.7879 -200.2587  107.7879 -200.2587  107.7879 36.80585 26.99439 36.80585 26.99439 -0.000000 0.000000 
1 1 1 31 13 1  o 101.2992 21.63570 112.3264   42.54787 112.3264   42.54787 ?          ?        101.2992 21.63570 ?        ?        ?         ?        
1 1 1 31 13 2  o 59.90950 24.92424 15.31723   49.35553 15.31723   49.35553 ?          ?        59.90950 24.92424 ?        ?        ?         ?        
1 1 1 31 13 3  f 116.6179 18.72890 142.9609   43.68248 142.9609   43.68248 ?          ?        116.6179 18.72890 ?        ?        ?         ?        
1 1 1 31 13 4  o 58.66117 24.92274 9.644185   51.05745 9.644185   51.05745 ?          ?        58.66117 24.92274 ?        ?        ?         ?        
1 1 1 31 13 5  o 76.97266 23.17168 65.80738   38.57674 65.80738   38.57674 ?          ?        76.97266 23.17168 ?        ?        ?         ?        
1 1 1 31 13 6  o 103.9784 19.80824 118.5667   39.71135 118.5667   39.71135 ?          ?        103.9784 19.80824 ?        ?        ?         ?        
1 1 1 31 13 7  o 34.14414 16.51661 -50.49014  34.60560 -50.49014  34.60560 ?          ?        34.14414 16.51661 ?        ?        ?         ?        
1 1 1 31 13 8  f 75.91710 21.93383 66.94199   35.17290 66.94199   35.17290 ?          ?        75.91710 21.93383 ?        ?        ?         ?        
1 1 1 31 13 9  o 41.31577 18.60287 -9.644185  32.33638 -9.644185  32.33638 ?          ?        41.31577 18.60287 ?        ?        ?         ?        
1 1 1 31 13 10 o 55.51347 21.34604 28.93255   33.47099 28.93255   33.47099 ?          ?        55.51347 21.34604 ?        ?        ?         ?        
1 1 1 31 14 0  o 70.85769 43.35225 66.94199   114.5956 66.94199   114.5956 66.94199   114.5956 70.85769 43.35225 70.85769 43.35225 -0.000000 0.000000 
1 1 1 31 14 1  o 53.16805 21.98050 11.91340   38.00943 11.91340   38.00943 ?          ?        53.16805 21.98050 ?        ?        ?         ?        
1 1 1 31 14 2  o 69.37655 25.09101 46.51900   44.81709 46.51900   44.81709 ?          ?        69.37655 25.09101 ?        ?        ?         ?        
1 1 1 31 14 3  o 129.9315 20.52107 179.2684   53.32666 179.2684   53.32666 ?          ?        129.9315 20.52107 ?        ?        ?         ?        
1 1 1 31 14 4  o 66.42616 24.54618 41.41326   43.11518 41.41326   43.11518 ?          ?        66.42616 24.54618 ?        ?        ?         ?        
1 1 1 31 14 5  o 95.72882 20.18642 100.9803   37.44213 100.9803   37.44213 ?          ?        95.72882 20.18642 ?        ?        ?         ?        
1 1 1 31 14 6  o 61.28967 21.89611 36.87482   34.03830 36.87482   34.03830 ?          ?        61.28967 21.89611 ?        ?        ?         ?        
1 1 1 31 14 7  o 128.7480 14.98149 174.1626   38.57674 174.1626   38.57674 ?          ?        128.7480 14.98149 ?        ?        ?         ?        
1 1 1 31 14 8  o 84.83155 22.40242 83.96114   38.57674 83.96114   38.57674 ?          ?        84.83155 22.40242 ?        ?        ?         ?        
1 1 1 31 14 9  o 48.22117 20.50362 7.942269   34.60560 7.942269   34.60560 ?          ?        48.22117 20.50362 ?        ?        ?         ?        
1 1 1 31 14 10 o 112.3324 16.16076 136.7205   36.30752 136.7205   36.30752 ?          ?        112.3324 16.16076 ?        ?        ?         ?        
1 1 1 31 15 0  o 81.24503 33.16067 97.00916   52.75936 97.00916   52.75936 97.00916   52.75936 81.24503 33.16067 81.24503 33.16067 -0.000000 0.000000 
1 1 1 31 15 1  o 64.16268 24.46749 34.60560   43.68248 34.60560   43.68248 ?          ?        64.16268 24.46749 ?        ?        ?         ?        
1 1 1 31 15 2  o 116.1392 18.80608 141.8262   43.68248 141.8262   43.68248 ?          ?        116.1392 18.80608 ?        ?        ?         ?        
1 1 1 31 15 3  o 85.68342 24.13437 82.25922   43.11518 82.25922   43.11518 ?          ?        85.68342 24.13437 ?        ?        ?         ?        
1 1 1 31 15 4  o 71.37946 24.57887 53.32666   42.54787 53.32666   42.54787 ?          ?        71.37946 24.57887 ?        ?        ?         ?        
1 1 1 31 15 5  o 64.15701 24.35392 36.30752   43.11518 36.30752   43.11518 ?          ?        64.15701 24.35392 ?        ?        ?         ?        
1 1 1 31 15 6  o 63.86849 23.56607 39.14404   39.71135 39.14404   39.71135 ?          ?        63.86849 23.56607 ?        ?        ?         ?        
1 1 1 31 15 7  o 163.0289 12.52722 275.1429   40.84595 275.1429   40.84595 ?          ?        163.0289 12.52722 ?        ?        ?         ?        
1 1 1 31 15 8  f 33.23922 16.18999 -55.59589  34.60560 -55.59589  34.60560 ?          ?        33.23922 16.18999 ?        ?        ?         ?        
1 1 1 31 15 9  o 39.13810 17.80601 -13.04801  30.63447 -13.04801  30.63447 ?          ?        39.13810 17.80601 ?        ?        ?         ?        
1 1 1 31 15 10 o 56.36279 20.87058 32.33638   31.20177 32.33638   31.20177 ?          ?        56.36279 20.87058 ?        ?        ?         ?        
1 1 1 31 16 0  o 44.57846 29.40652 -1.134610  64.67276 -1.134610  64.67276 -1.134610  64.67276 44.57846 29.40652 44.57846 29.40652 -0.000000 0.000000 
1 1 1 31 16 1  o 130.3469 16.97386 176.9992   44.24979 176.9992   44.24979 ?          ?        130.3469 16.97386 ?        ?        ?         ?        
1 1 1 31 16 2  o 129.5118 17.52133 175.2972   45.38440 175.2972   45.38440 ?          ?        129.5118 17.52133 ?        ?        ?         ?        
1 1 1 31 16 3  o 191.4872 13.77621 377.2578   52.75936 377.2578   52.75936 ?          ?        191.4872 13.77621 ?        ?        ?         ?        
1 1 1 31 16 4  o 76.54787 19.84818 64.67276   30.63447 64.67276   30.63447 ?          ?        76.54787 19.84818 ?        ?        ?         ?        
1 1 1 31 16 5  o 70.90296 24.41450 52.75936   41.98057 52.75936   41.98057 ?          ?        70.90296 24.41450 ?        ?        ?         ?        
1 1 1 31 16 6  o 67.20786 23.37848 47.65361   38.57674 47.65361   38.57674 ?          ?        67.20786 23.37848 ?        ?        ?         ?        
1 1 1 31 16 7  o 118.9707 17.40482 151.4704   41.41326 151.4704   41.41326 ?          ?        118.9707 17.40482 ?        ?        ?         ?        
1 1 1 31 16 8  o 36.81526 17.24245 -26.09603  31.76908 -26.09603  31.76908 ?          ?        36.81526 17.24245 ?        ?        ?         ?        
1 1 1 31 16 9  o 68.91830 20.85794 55.02858   31.20177 55.02858   31.20177 ?          ?        68.91830 20.85794 ?        ?        ?         ?        
1 1 1 31 16 10 o 63.22208 21.96330 45.38440   34.03830 45.38440   34.03830 ?          ?        63.22208 21.96330 ?        ?        ?         ?        
1 1 1 31 17 0  o 50.17943 29.43428 34.60560   48.78823 34.60560   48.78823 34.60560   48.78823 50.17943 29.43428 50.17943 29.43428 -0.000000 0.000000 
1 1 1 31 17 1  o 107.4388 16.89684 120.2687   36.30752 120.2687   36.30752 ?          ?        107.4388 16.89684 ?        ?        ?         ?        
1 1 1 31 17 2  o 101.2661 20.60324 112.3264   40.27865 112.3264   40.27865 ?          ?        101.2661 20.60324 ?        ?        ?         ?        
1 1 1 31 17 3  f 189.7823 14.49781 372.1520   55.02858 372.1520   55.02858 ?          ?        189.7823 14.49781 ?        ?        ?         ?        
1 1 1 31 17 4  o 79.38724 24.61911 70.34581   43.11518 70.34581   43.11518 ?          ?        79.38724 24.61911 ?        ?        ?         ?        
1 1 1 31 17 5  o 76.86703 22.76563 65.80738   37.44213 65.80738   37.44213 ?          ?        76.86703 22.76563 ?        ?        ?         ?        
1 1 1 31 17 6  o 48.45999 20.55038 6.807660   34.60560 6.807660   34.60560 ?          ?        48.45999 20.55038 ?        ?        ?         ?        
1 1 1 31 17 7  o 90.30270 21.09221 93.60532   37.44213 93.60532   37.44213 ?          ?        90.30270 21.09221 ?        ?        ?         ?        
1 1 1 31 17 8  o 113.4370 14.75312 136.1532   33.47099 136.1532   33.47099 ?          ?        113.4370 14.75312 ?        ?        ?         ?        
1 1 1 31 17 9  o 115.0845 15.52781 142.3935   35.74022 142.3935   35.74022 ?          ?        115.0845 15.52781 ?        ?        ?         ?        
1 1 1 31 17 10 o 78.38946 20.15470 72.61504   31.76908 72.61504   31.76908 ?          ?        78.38946 20.15470 ?        ?        ?         ?        
1 1 1 31 18 0  f 20.33188 15.19621 -162.8165  49.35553 -162.8165  49.35553 -162.8165  49.35553 20.33188 15.19621 20.33188 15.19621 -0.000000 0.000000 
1 1 1 31 18 1  o 211.5271 9.386824 453.2767   39.71135 453.2767   39.71135 ?          ?        211.5271 9.386824 ?        ?        ?         ?        
1 1 1 31 18 2  o 117.4367 15.45834 142.9609   36.30752 142.9609   36.30752 ?          ?        117.4367 15.45834 ?        ?        ?         ?        
1 1 1 31 18 3  o 55.14199 22.07408 19.85567   36.87482 19.85567   36.87482 ?          ?        55.14199 22.07408 ?        ?        ?         ?        
1 1 1 31 18 4  o 70.99464 24.86006 52.19205   43.68248 52.19205   43.68248 ?          ?        70.99464 24.86006 ?        ?        ?         ?        
1 1 1 31 18 5  o 159.4333 14.58886 263.7968   46.51900 263.7968   46.51900 ?          ?        159.4333 14.58886 ?        ?        ?         ?        
1 1 1 31 18 6  o 50.38026 21.10022 10.77879   35.74022 10.77879   35.74022 ?          ?        50.38026 21.10022 ?        ?        ?         ?        
1 1 1 31 18 7  o 55.89016 20.98667 29.49986   31.76908 29.49986   31.76908 ?          ?        55.89016 20.98667 ?        ?        ?         ?        
1 1 1 31 18 8  o 52.80698 21.71693 17.58645   36.87482 17.58645   36.87482 ?          ?        52.80698 21.71693 ?        ?        ?         ?        
1 1 1 31 18 9  o 45.89705 19.58423 6.807660   31.76908 6.807660   31.76908 ?          ?        45.89705 19.58423 ?        ?        ?         ?        
1 1 1 31 18 10 o 57.85116 21.72322 34.60560   34.03830 34.60560   34.03830 ?          ?        57.85116 21.72322 ?        ?        ?         ?        
1 1 1 31 19 0  o 35.08539 22.97461 0.000000   38.57674 0.000000   38.57674 0.000000   38.57674 35.08539 22.97461 35.08539 22.97461 -0.000000 0.000000 
1 1 1 31 19 1  o 141.3039 13.65028 205.3644   38.57674 205.3644   38.57674 ?          ?        141.3039 13.65028 ?        ?        ?         ?        
1 1 1 31 19 2  o 98.81925 15.78729 101.5476   31.20177 101.5476   31.20177 ?          ?        98.81925 15.78729 ?        ?        ?         ?        
1 1 1 31 19 3  o 45.05238 19.50195 -0.5673050 32.33638 -0.5673050 32.33638 ?          ?        45.05238 19.50195 ?        ?        ?         ?        
1 1 1 31 19 4  o 112.8207 16.84506 133.3167   38.00943 133.3167   38.00943 ?          ?        112.8207 16.84506 ?        ?        ?         ?        
1 1 1 31 19 5  o 76.82314 22.97532 66.37468   38.00943 66.37468   38.00943 ?          ?        76.82314 22.97532 ?        ?        ?         ?        
1 1 1 31 19 6  o 56.47504 24.92311 -0.5673050 55.02858 -0.5673050 55.02858 ?          ?        56.47504 24.92311 ?        ?        ?         ?        
1 1 1 31 19 7  o 120.9785 13.36452 153.1723   32.33638 153.1723   32.33638 ?          ?        120.9785 13.36452 ?        ?        ?         ?        
1 1 1 31 19 8  o 67.26919 22.71644 51.05745   36.30752 51.05745   36.30752 ?          ?        67.26919 22.71644 ?        ?        ?         ?        
1 1 1 31 19 9  o 49.54071 20.66000 13.61532   34.03830 13.61532   34.03830 ?          ?        49.54071 20.66000 ?        ?        ?         ?        
1 1 1 31 19 10 o 67.79551 22.17763 54.46128   34.60560 54.46128   34.60560 ?          ?        67.79551 22.17763 ?        ?        ?         ?        
1 1 1 31 20 0  o 86.74628 32.40748 106.6533   52.19205 106.6533   52.19205 106.6533   52.19205 86.74628 32.40748 86.74628 32.40748 -0.000000 0.000000 
1 1 1 31 20 1  o 106.2015 16.02533 117.4321   34.03830 117.4321   34.03830 ?          ?        106.2015 16.02533 ?        ?        ?         ?        
1 1 1 31 20 2  o 42.99519 18.88292 -4.538440  31.20177 -4.538440  31.20177 ?          ?        42.99519 18.88292 ?        ?        ?         ?        
1 1 1 31 20 3  o 63.18362 22.28952 39.71135   35.17290 39.71135   35.17290 ?          ?        63.18362 22.28952 ?        ?        ?         ?        
1 1 1 31 20 4  o 138.9392 12.24935 197.9895   34.03830 197.9895   34.03830 ?          ?        138.9392 12.24935 ?        ?        ?         ?        
1 1 1 31 20 5  f 68.38149 22.53826 51.05745   35.74022 51.05745   35.74022 ?          ?        68.38149 22.53826 ?        ?        ?         ?        
1 1 1 31 20 6  o 40.31741 18.66762 -23.82681  35.74022 -23.82681  35.74022 ?          ?        40.31741 18.66762 ?        ?        ?         ?        
1 1 1 31 20 7  f 85.62560 22.78333 85.66305   39.71135 85.66305   39.71135 ?          ?        85.62560 22.78333 ?        ?        ?         ?        
1 1 1 31 20 8  o 42.15112 19.09710 -11.91340  34.60560 -11.91340  34.60560 ?          ?        42.15112 19.09710 ?        ?        ?         ?        
1 1 1 31 20 9  o 102.6588 18.34524 119.1340   36.30752 119.1340   36.30752 ?          ?        102.6588 18.34524 ?        ?        ?         ?        
1 1 1 31 21 0  o 108.0623 25.72915 139.5570   48.22092 139.5570   48.22092 139.5570   48.22092 108.0623 25.72915 108.0623 25.72915 -0.000000 0.000000 
1 1 1 31 21 1  o 46.32771 19.57311 5.105744   31.20177 5.105744   31.20177 ?          ?        46.32771 19.57311 ?        ?        ?         ?        
1 1 1 31 21 2  o 48.89203 20.81438 4.538440   35.74022 4.538440   35.74022 ?          ?        48.89203 20.81438 ?        ?        ?         ?        
1 1 1 31 21 3  o 67.37289 22.17762 48.22092   34.60560 48.22092   34.60560 ?          ?        67.37289 22.17762 ?        ?        ?         ?        
1 1 1 31 21 4  o 66.70846 23.82016 44.81709   40.27865 44.81709   40.27865 ?          ?        66.70846 23.82016 ?        ?        ?         ?        
1 1 1 31 21 5  o 68.32848 22.35867 51.62476   35.17290 51.62476   35.17290 ?          ?        68.32848 22.35867 ?        ?        ?         ?        
1 1 1 31 21 6  o 39.51562 18.43859 -26.66333  35.74022 -26.66333  35.74022 ?          ?        39.51562 18.43859 ?        ?        ?         ?        
1 1 1 31 21 8  o 51.26855 20.25270 20.99029   30.63447 20.99029   30.63447 ?          ?        51.26855 20.25270 ?        ?        ?         ?        
1 1 1 31 21 9  o 105.4596 16.40704 120.8360   34.60560 120.8360   34.60560 ?          ?        105.4596 16.40704 ?        ?        ?         ?        
1 1 1 31 22 0  o 75.88641 32.23731 86.79766   49.35553 86.79766   49.35553 86.79766   49.35553 75.88641 32.23731 75.88641 32.23731 -0.000000 0.000000 
1 1 1 31 22 1  o 98.10262 19.77691 105.5187   37.44213 105.5187   37.44213 ?          ?        98.10262 19.77691 ?        ?        ?         ?        
1 1 1 31 22 2  o 80.29862 20.43245 71.48043   32.90369 71.48043   32.90369 ?          ?        80.29862 20.43245 ?        ?        ?         ?        
1 1 1 31 22 3  o 123.4163 15.85854 158.8454   39.14404 158.8454   39.14404 ?          ?        123.4163 15.85854 ?        ?        ?         ?        
1 1 1 31 22 4  o 29.28796 14.60250 -86.23035  34.60560 -86.23035  34.60560 ?          ?        29.28796 14.60250 ?        ?        ?         ?        
1 1 1 31 22 5  o 73.31384 20.24018 60.70163   30.63447 60.70163   30.63447 ?          ?        73.31384 20.24018 ?        ?        ?         ?        
1 1 1 31 22 6  o 59.16617 23.70040 28.36525   42.54787 28.36525   42.54787 ?          ?        59.16617 23.70040 ?        ?        ?         ?        
1 1 1 31 22 7  o 107.3876 27.17092 142.9609   58.43241 142.9609   58.43241 ?          ?        107.3876 27.17092 ?        ?        ?         ?        
1 1 1 31 22 8  o 34.22549 16.52430 -45.38440  34.03830 -45.38440  34.03830 ?          ?        34.22549 16.52430 ?        ?        ?         ?        
1 1 1 31 22 9  o 119.5957 14.94210 153.7396   35.74022 153.7396   35.74022 ?          ?        119.5957 14.94210 ?        ?        ?         ?        
1 1 1 31 23 0  o 36.30255 24.25564 -7.942269  46.51900 -7.942269  46.51900 -7.942269  46.51900 36.30255 24.25564 36.30255 24.25564 -0.000000 0.000000 
1 1 1 31 23 1  o 127.4004 15.13996 168.4896   38.57674 168.4896   38.57674 ?          ?        127.4004 15.13996 ?        ?        ?         ?        
1 1 1 31 23 2  o 113.3569 14.01286 132.7494   31.76908 132.7494   31.76908 ?          ?        113.3569 14.01286 ?        ?        ?         ?        
1 1 1 31 23 3  o 107.7730 15.00208 120.8360   32.33638 120.8360   32.33638 ?          ?        107.7730 15.00208 ?        ?        ?         ?        
1 1 1 31 23 4  o 44.54939 19.03217 3.403830   30.06716 3.403830   30.06716 ?          ?        44.54939 19.03217 ?        ?        ?         ?        
1 1 1 31 23 5  o 66.25348 19.61447 48.78823   27.79794 48.78823   27.79794 ?          ?        66.25348 19.61447 ?        ?        ?         ?        
1 1 1 31 23 6  o 84.61899 22.66762 83.96114   39.14404 83.96114   39.14404 ?          ?        84.61899 22.66762 ?        ?        ?         ?        
1 1 1 31 23 7  o 86.36774 20.61819 86.23035   35.17290 86.23035   35.17290 ?          ?        86.36774 20.61819 ?        ?        ?         ?        
1 1 1 31 23 8  o 136.3796 20.59076 211.0374   56.16319 211.0374   56.16319 ?          ?        136.3796 20.59076 ?        ?        ?         ?        
1 1 1 31 23 9  o 113.5734 16.48368 141.2589   37.44213 141.2589   37.44213 ?          ?        113.5734 16.48368 ?        ?        ?         ?        
1 1 1 31 24 0  o 48.16745 29.91208 24.39412   56.16319 24.39412   56.16319 24.39412   56.16319 48.16745 29.91208 48.16745 29.91208 -0.000000 0.000000 
1 1 1 31 24 1  o 123.9890 12.35370 157.7108   30.63447 157.7108   30.63447 ?          ?        123.9890 12.35370 ?        ?        ?         ?        
1 1 1 31 24 2  o 62.34700 21.05871 40.27865   31.20177 40.27865   31.20177 ?          ?        62.34700 21.05871 ?        ?        ?         ?        
1 1 1 31 24 3  o 59.37394 20.98870 35.17290   31.20177 35.17290   31.20177 ?          ?        59.37394 20.98870 ?        ?        ?         ?        
1 1 1 31 24 4  o 28.09366 13.89696 -62.40355  28.93255 -62.40355  28.93255 ?          ?        28.09366 13.89696 ?        ?        ?         ?        
1 1 1 31 24 5  o 54.04906 20.65898 25.52872   31.20177 25.52872   31.20177 ?          ?        54.04906 20.65898 ?        ?        ?         ?        
1 1 1 31 24 6  o 39.67048 18.36839 -22.69220  34.60560 -22.69220  34.60560 ?          ?        39.67048 18.36839 ?        ?        ?         ?        
1 1 1 31 24 7  o 102.5300 19.24514 118.5667   38.00943 118.5667   38.00943 ?          ?        102.5300 19.24514 ?        ?        ?         ?        
1 1 1 31 24 8  o 34.33606 16.86488 -68.64390  39.71135 -68.64390  39.71135 ?          ?        34.33606 16.86488 ?        ?        ?         ?        
1 1 1 31 24 9  o 51.18502 19.96529 23.25950   29.49986 23.25950   29.49986 ?          ?        51.18502 19.96529 ?        ?        ?         ?        
1 1 1 31 25 0  o 205.5879 11.66824 431.7191   47.65361 431.7191   47.65361 431.7191   47.65361 205.5879 11.66824 205.5879 11.66824 -0.000000 0.000000 
1 1 1 31 25 1  o 44.01602 18.92548 1.134610   30.06716 1.134610   30.06716 ?          ?        44.01602 18.92548 ?        ?        ?         ?        
1 1 1 31 25 2  o 54.36566 20.82678 24.39412   31.76908 24.39412   31.76908 ?          ?        54.36566 20.82678 ?        ?        ?         ?        
1 1 1 31 25 3  o 79.62863 19.09712 70.91312   30.06716 70.91312   30.06716 ?          ?        79.62863 19.09712 ?        ?        ?         ?        
1 1 1 31 25 4  o 64.61124 20.42622 45.95170   29.49986 45.95170   29.49986 ?          ?        64.61124 20.42622 ?        ?        ?         ?        
1 1 1 31 25 5  o 44.11443 18.94516 3.403830   30.06716 3.403830   30.06716 ?          ?        44.11443 18.94516 ?        ?        ?         ?        
1 1 1 31 25 6  o 38.62973 17.70806 -17.01915  31.20177 -17.01915  31.20177 ?          ?        38.62973 17.70806 ?        ?        ?         ?        
1 1 1 31 25 7  f 110.7183 17.42112 133.3167   38.57674 133.3167   38.57674 ?          ?        110.7183 17.42112 ?        ?        ?         ?        
1 1 1 31 25 8  o 77.18540 18.87368 68.64390   28.93255 68.64390   28.93255 ?          ?        77.18540 18.87368 ?        ?        ?         ?        
1 1 1 31 26 0  o 62.12394 30.53979 61.83624   44.81709 61.83624   44.81709 61.83624   44.81709 62.12394 30.53979 62.12394 30.53979 -0.000000 0.000000 
1 1 1 31 26 1  o 72.18531 19.27743 57.86510   28.36525 57.86510   28.36525 ?          ?        72.18531 19.27743 ?        ?        ?         ?        
1 1 1 31 26 2  o 58.23748 20.60188 34.03830   30.06716 34.03830   30.06716 ?          ?        58.23748 20.60188 ?        ?        ?         ?        
1 1 1 31 26 3  o 164.5697 10.34161 277.4121   34.03830 277.4121   34.03830 ?          ?        164.5697 10.34161 ?        ?        ?         ?        
1 1 1 31 26 4  o 51.36240 20.51837 18.72106   31.76908 18.72106   31.76908 ?          ?        51.36240 20.51837 ?        ?        ?         ?        
1 1 1 31 26 5  o 112.2506 13.89826 132.1821   31.20177 132.1821   31.20177 ?          ?        112.2506 13.89826 ?        ?        ?         ?        
1 1 1 31 26 6  o 112.8129 16.34336 136.7205   36.87482 136.7205   36.87482 ?          ?        112.8129 16.34336 ?        ?        ?         ?        
1 1 1 31 26 7  o 76.98837 21.11341 69.77851   33.47099 69.77851   33.47099 ?          ?        76.98837 21.11341 ?        ?        ?         ?        
1 1 1 31 26 8  f 54.21142 21.09801 26.66333   32.90369 26.66333   32.90369 ?          ?        54.21142 21.09801 ?        ?        ?         ?        
1 1 1 31 27 0  o 50.04357 29.58560 35.74022   49.92284 35.74022   49.92284 35.74022   49.92284 50.04357 29.58560 50.04357 29.58560 -0.000000 0.000000 
1 1 1 31 27 1  o 88.10809 18.00684 85.66305   30.63447 85.66305   30.63447 ?          ?        88.10809 18.00684 ?        ?        ?         ?        
1 1 1 31 27 2  o 73.69806 19.92266 61.26894   30.06716 61.26894   30.06716 ?          ?        73.69806 19.92266 ?        ?        ?         ?        
1 1 1 31 27 3  o 28.01644 13.86801 -62.97085  28.93255 -62.97085  28.93255 ?          ?        28.01644 13.86801 ?        ?        ?         ?        
1 1 1 31 27 4  o 33.82763 15.77331 -20.42298  26.09603 -20.42298  26.09603 ?          ?        33.82763 15.77331 ?        ?        ?         ?        
1 1 1 31 27 5  o 108.7110 14.35079 124.2398   31.20177 124.2398   31.20177 ?          ?        108.7110 14.35079 ?        ?        ?         ?        
1 1 1 31 27 6  o 73.89801 19.34875 62.40355   28.93255 62.40355   28.93255 ?          ?        73.89801 19.34875 ?        ?        ?         ?        
1 1 1 31 27 7  o 56.77133 21.20173 32.33638   32.33638 32.33638   32.33638 ?          ?        56.77133 21.20173 ?        ?        ?         ?        
1 1 1 31 27 8  o 88.39220 24.29176 97.57646   44.24979 97.57646   44.24979 ?          ?        88.39220 24.29176 ?        ?        ?         ?        
1 1 1 31 28 0  o 26.18620 18.78091 -49.92284  41.41326 -49.92284  41.41326 -49.92284  41.41326 26.18620 18.78091 26.18620 18.78091 -0.000000 0.000000 
1 1 1 31 28 1  o 69.66267 19.81826 54.46128   28.93255 54.46128   28.93255 ?          ?        69.66267 19.81826 ?        ?        ?         ?        
1 1 1 31 28 2  o 30.73767 14.92553 -45.95170  28.93255 -45.95170  28.93255 ?          ?        30.73767 14.92553 ?        ?        ?         ?        
1 1 1 31 28 3  o 58.87761 20.44742 36.30752   29.49986 36.30752   29.49986 ?          ?        58.87761 20.44742 ?        ?        ?         ?        
1 1 1 31 28 4  o 57.46393 20.57426 33.47099   30.06716 33.47099   30.06716 ?          ?        57.46393 20.57426 ?        ?        ?         ?        
1 1 1 31 28 5  o 143.9650 10.83659 213.8740   31.20177 213.8740   31.20177 ?          ?        143.9650 10.83659 ?        ?        ?         ?        
1 1 1 31 28 6  o 74.98403 17.02878 62.97085   24.96142 62.97085   24.96142 ?          ?        74.98403 17.02878 ?        ?        ?         ?        
1 1 1 31 28 7  o 86.11492 18.33353 84.52843   30.63447 84.52843   30.63447 ?          ?        86.11492 18.33353 ?        ?        ?         ?        
1 1 1 31 28 8  o 31.14388 15.18073 -48.22092  30.63447 -48.22092  30.63447 ?          ?        31.14388 15.18073 ?        ?        ?         ?        
1 1 1 31 29 0  o 47.54819 27.22057 34.03830   40.27865 34.03830   40.27865 34.03830   40.27865 47.54819 27.22057 47.54819 27.22057 -0.000000 0.000000 
1 1 1 31 29 1  o 43.91801 18.71306 3.971134   28.93255 3.971134   28.93255 ?          ?        43.91801 18.71306 ?        ?        ?         ?        
1 1 1 31 29 2  o 60.68945 20.27845 39.71135   28.93255 39.71135   28.93255 ?          ?        60.68945 20.27845 ?        ?        ?         ?        
1 1 1 31 29 3  o 50.23539 19.86477 19.28837   29.49986 19.28837   29.49986 ?          ?        50.23539 19.86477 ?        ?        ?         ?        
1 1 1 31 29 4  o 51.68372 20.00516 22.12490   29.49986 22.12490   29.49986 ?          ?        51.68372 20.00516 ?        ?        ?         ?        
1 1 1 31 29 5  o 49.07198 19.45552 18.15376   28.36525 18.15376   28.36525 ?          ?        49.07198 19.45552 ?        ?        ?         ?        
1 1 1 31 29 6  o 67.20956 20.26917 52.19205   29.49986 52.19205   29.49986 ?          ?        67.20956 20.26917 ?        ?        ?         ?        
1 1 1 31 29 7  o 65.47838 19.41909 49.35553   27.23064 49.35553   27.23064 ?          ?        65.47838 19.41909 ?        ?        ?         ?        
1 1 1 31 30 0  o 42.95870 26.09181 23.25950   40.84595 23.25950   40.84595 23.25950   40.84595 42.95870 26.09181 42.95870 26.09181 -0.000000 0.000000 
1 1 1 31 30 1  o 43.67370 18.66421 3.971134   28.93255 3.971134   28.93255 ?          ?        43.67370 18.66421 ?        ?        ?         ?        
1 1 1 31 30 2  o 38.70555 17.50277 -10.77879  28.93255 -10.77879  28.93255 ?          ?        38.70555 17.50277 ?        ?        ?         ?        
1 1 1 31 30 3  o 157.3461 9.915013 253.5853   31.20177 253.5853   31.20177 ?          ?        157.3461 9.915013 ?        ?        ?         ?        
1 1 1 31 30 4  o 72.97665 19.18153 60.70163   28.36525 60.70163   28.36525 ?          ?        72.97665 19.18153 ?        ?        ?         ?        
1 1 1 31 30 5  o 65.25933 19.17582 48.22092   26.66333 48.22092   26.66333 ?          ?        65.25933 19.17582 ?        ?        ?         ?        
1 1 1 31 30 6  o 58.25275 20.24799 36.87482   28.93255 36.87482   28.93255 ?          ?        58.25275 20.24799 ?        ?        ?         ?        
1 1 1 31 30 7  o 69.70049 18.43418 56.16319   26.09603 56.16319   26.09603 ?          ?        69.70049 18.43418 ?        ?        ?         ?        
1 1 1 31 31 0  o 42.64668 25.99195 22.69220   40.84595 22.69220   40.84595 22.69220   40.84595 42.64668 25.99195 42.64668 25.99195 -0.000000 0.000000 
1 1 1 31 31 1  o 102.9499 13.77624 111.1918   28.36525 111.1918   28.36525 ?          ?        102.9499 13.77624 ?        ?        ?         ?        
1 1 1 31 31 2  o 56.16504 19.99602 31.76908   28.36525 31.76908   28.36525 ?          ?        56.16504 19.99602 ?        ?        ?         ?        
1 1 1 31 31 3  o 94.09473 14.77125 93.60532   27.79794 93.60532   27.79794 ?          ?        94.09473 14.77125 ?        ?        ?         ?        
1 1 1 31 31 4  o 55.55706 19.23763 32.33638   26.09603 32.33638   26.09603 ?          ?        55.55706 19.23763 ?        ?        ?         ?        
1 1 1 31 31 5  o 38.81339 17.14151 -3.403830  26.09603 -3.403830  26.09603 ?          ?        38.81339 17.14151 ?        ?        ?         ?        
1 1 1 31 31 6  o 79.45406 18.82819 72.61504   29.49986 72.61504   29.49986 ?          ?        79.45406 18.82819 ?        ?        ?         ?        
1 1 1 31 31 7  o 50.13126 20.20651 19.28837   31.20177 19.28837   31.20177 ?          ?        50.13126 20.20651 ?        ?        ?         ?        
1 1 1 31 32 0  o 90.84311 25.29337 104.3841   39.71135 104.3841   39.71135 104.3841   39.71135 90.84311 25.29337 90.84311 25.29337 -0.000000 0.000000 
1 1 1 31 32 1  o 66.67556 19.04333 49.92284   26.66333 49.92284   26.66333 ?          ?        66.67556 19.04333 ?        ?        ?         ?        
1 1 1 31 32 2  o 79.89859 17.85016 71.48043   27.79794 71.48043   27.79794 ?          ?        79.89859 17.85016 ?        ?        ?         ?        
1 1 1 31 32 3  o 48.26992 19.22133 17.01915   27.79794 17.01915   27.79794 ?          ?        48.26992 19.22133 ?        ?        ?         ?        
1 1 1 31 32 4  o 28.08572 13.75682 -47.08631  26.09603 -47.08631  26.09603 ?          ?        28.08572 13.75682 ?        ?        ?         ?        
1 1 1 31 32 5  o 98.72679 15.51477 104.9514   30.63447 104.9514   30.63447 ?          ?        98.72679 15.51477 ?        ?        ?         ?        
1 1 1 31 32 6  o 56.67617 19.83288 34.60560   27.79794 34.60560   27.79794 ?          ?        56.67617 19.83288 ?        ?        ?         ?        
1 1 1 31 33 0  o 25.05885 18.09039 -55.59589  40.84595 -55.59589  40.84595 -55.59589  40.84595 25.05885 18.09039 25.05885 18.09039 -0.000000 0.000000 
1 1 1 31 33 1  o 108.7988 12.77493 123.6725   27.79794 123.6725   27.79794 ?          ?        108.7988 12.77493 ?        ?        ?         ?        
1 1 1 31 33 2  o 91.96856 16.98490 93.60532   30.06716 93.60532   30.06716 ?          ?        91.96856 16.98490 ?        ?        ?         ?        
1 1 1 31 33 3  o 76.65115 18.95463 66.94199   28.93255 66.94199   28.93255 ?          ?        76.65115 18.95463 ?        ?        ?         ?        
1 1 1 31 33 4  o 36.02434 16.40135 -11.91340  26.09603 -11.91340  26.09603 ?          ?        36.02434 16.40135 ?        ?        ?         ?        
1 1 1 31 33 5  f 87.75877 18.07229 87.36497   30.63447 87.36497   30.63447 ?          ?        87.75877 18.07229 ?        ?        ?         ?        
1 1 1 31 33 6  o 51.48921 19.41036 25.52872   27.23064 25.52872   27.23064 ?          ?        51.48921 19.41036 ?        ?        ?         ?        
1 1 1 31 34 0  o 24.28613 17.82453 -90.76879  47.65361 -90.76879  47.65361 -90.76879  47.65361 24.28613 17.82453 24.28613 17.82453 -0.000000 0.000000 
1 1 1 31 34 1  o 55.82693 19.62049 32.33638   27.23064 32.33638   27.23064 ?          ?        55.82693 19.62049 ?        ?        ?         ?        
1 1 1 31 34 2  o 63.49224 19.78380 45.38440   27.79794 45.38440   27.79794 ?          ?        63.49224 19.78380 ?        ?        ?         ?        
1 1 1 31 34 3  o 83.22160 19.70726 79.99000   32.33638 79.99000   32.33638 ?          ?        83.22160 19.70726 ?        ?        ?         ?        
1 1 1 31 34 4  o 88.18927 18.30244 88.49958   31.20177 88.49958   31.20177 ?          ?        88.18927 18.30244 ?        ?        ?         ?        
1 1 1 31 34 5  o 85.33647 16.88800 81.69191   27.79794 81.69191   27.79794 ?          ?        85.33647 16.88800 ?        ?        ?         ?        
1 1 1 31 34 6  o 31.49917 15.23930 -41.41326  29.49986 -41.41326  29.49986 ?          ?        31.49917 15.23930 ?        ?        ?         ?        
1 1 1 31 35 0  o 39.72303 24.80343 16.45185   39.14404 16.45185   39.14404 16.45185   39.14404 39.72303 24.80343 39.72303 24.80343 -0.000000 0.000000 
1 1 1 31 35 1  o 53.91577 21.07437 24.96142   32.90369 24.96142   32.90369 ?          ?        53.91577 21.07437 ?        ?        ?         ?        
1 1 1 31 35 2  o 44.18808 18.34748 9.644185   26.66333 9.644185   26.66333 ?          ?        44.18808 18.34748 ?        ?        ?         ?        
1 1 1 31 35 3  o 45.41621 18.16952 14.74993   24.96142 14.74993   24.96142 ?          ?        45.41621 18.16952 ?        ?        ?         ?        
1 1 1 31 35 4  o 74.39813 19.28812 64.10546   28.93255 64.10546   28.93255 ?          ?        74.39813 19.28812 ?        ?        ?         ?        
1 1 1 31 35 5  o 54.32576 19.74957 30.63447   27.79794 30.63447   27.79794 ?          ?        54.32576 19.74957 ?        ?        ?         ?        
1 1 1 31 36 0  o 55.18415 27.78447 50.49014   37.44213 50.49014   37.44213 50.49014   37.44213 55.18415 27.78447 55.18415 27.78447 -0.000000 0.000000 
1 1 1 31 36 1  o 56.62755 20.36883 33.47099   29.49986 33.47099   29.49986 ?          ?        56.62755 20.36883 ?        ?        ?         ?        
1 1 1 31 36 2  o 37.01503 16.93278 -14.18262  28.36525 -14.18262  28.36525 ?          ?        37.01503 16.93278 ?        ?        ?         ?        
1 1 1 31 36 3  o 39.28097 17.72298 -9.076880  29.49986 -9.076880  29.49986 ?          ?        39.28097 17.72298 ?        ?        ?         ?        
1 1 1 31 36 4  o 36.39866 16.83125 -17.58645  28.93255 -17.58645  28.93255 ?          ?        36.39866 16.83125 ?        ?        ?         ?        
1 1 1 31 36 5  o 33.43788 15.82905 -27.79794  28.36525 -27.79794  28.36525 ?          ?        33.43788 15.82905 ?        ?        ?         ?        
1 1 1 31 37 0  o 57.28559 28.30548 54.46128   38.57674 54.46128   38.57674 54.46128   38.57674 57.28559 28.30548 57.28559 28.30548 -0.000000 0.000000 
1 1 1 31 37 1  o 77.32803 18.55091 68.64390   28.36525 68.64390   28.36525 ?          ?        77.32803 18.55091 ?        ?        ?         ?        
1 1 1 31 37 2  o 62.14942 20.47631 43.68248   29.49986 43.68248   29.49986 ?          ?        62.14942 20.47631 ?        ?        ?         ?        
1 1 1 31 37 3  o 63.22511 20.03382 45.95170   28.36525 45.95170   28.36525 ?          ?        63.22511 20.03382 ?        ?        ?         ?        
1 1 1 31 37 4  o 40.25891 17.87975 -3.971134  28.93255 -3.971134  28.93255 ?          ?        40.25891 17.87975 ?        ?        ?         ?        
1 1 1 31 38 0  o 53.20265 29.26592 47.65361   44.24979 47.65361   44.24979 47.65361   44.24979 53.20265 29.26592 53.20265 29.26592 -0.000000 0.000000 
1 1 1 31 38 1  o 35.98818 16.51628 -14.74993  27.23064 -14.74993  27.23064 ?          ?        35.98818 16.51628 ?        ?        ?         ?        
1 1 1 31 38 2  o 31.47688 15.13201 -35.17290  27.79794 -35.17290  27.79794 ?          ?        31.47688 15.13201 ?        ?        ?         ?        
1 1 1 31 38 3  o 44.00474 18.73041 6.807660   28.93255 6.807660   28.93255 ?          ?        44.00474 18.73041 ?        ?        ?         ?        
1 1 1 31 39 0  o 22.24555 16.20775 -62.40355  36.87482 -62.40355  36.87482 -62.40355  36.87482 22.24555 16.20775 22.24555 16.20775 -0.000000 0.000000 
1 1 1 31 39 1  o 58.62690 19.67300 38.57674   27.23064 38.57674   27.23064 ?          ?        58.62690 19.67300 ?        ?        ?         ?        
1 1 1 31 39 2  o 50.91571 19.94375 22.69220   29.49986 22.69220   29.49986 ?          ?        50.91571 19.94375 ?        ?        ?         ?        
1 1 1 31 40 0  o 86.35036 29.37810 105.5187   45.38440 105.5187   45.38440 105.5187   45.38440 86.35036 29.37810 86.35036 29.37810 -0.000000 0.000000 
1 1 1 31 40 1  o 45.93850 18.86773 13.04801   27.79794 13.04801   27.79794 ?          ?        45.93850 18.86773 ?        ?        ?         ?        
1 1 1 32 0  1  o 51.97540 34.20370 3.403830   86.79766 3.403830   86.79766 3.403830   86.79766 51.97540 34.20370 51.97540 34.20370 -0.000000 0.000000 
1 1 1 32 0  2  o 63.74831 38.80232 53.89397   90.76879 53.89397   90.76879 53.89397   90.76879 63.74831 38.80232 63.74831 38.80232 -0.000000 0.000000 
1 1 1 32 0  3  o 56.90255 36.53906 23.82681   91.33610 23.82681   91.33610 23.82681   91.33610 56.90255 36.53906 56.90255 36.53906 -0.000000 0.000000 
1 1 1 32 0  4  o 56.26418 36.71949 14.74993   97.57646 14.74993   97.57646 14.74993   97.57646 56.26418 36.71949 56.26418 36.71949 -0.000000 0.000000 
1 1 1 32 0  6  o 54.32058 33.46405 36.30752   69.21120 36.30752   69.21120 36.30752   69.21120 54.32058 33.46405 54.32058 33.46405 -0.000000 0.000000 
1 1 1 32 0  7  o 73.98054 37.65826 94.17262   69.21120 94.17262   69.21120 94.17262   69.21120 73.98054 37.65826 73.98054 37.65826 -0.000000 0.000000 
1 1 1 32 0  8  o 80.81006 39.89019 114.5956   76.58617 114.5956   76.58617 114.5956   76.58617 80.81006 39.89019 80.81006 39.89019 -0.000000 0.000000 
1 1 1 32 0  9  o 40.41275 28.05935 -32.33638  73.74965 -32.33638  73.74965 -32.33638  73.74965 40.41275 28.05935 40.41275 28.05935 -0.000000 0.000000 
1 1 1 32 0  10 o 30.36974 21.39775 -37.44213  47.65361 -37.44213  47.65361 -37.44213  47.65361 30.36974 21.39775 30.36974 21.39775 -0.000000 0.000000 
1 1 1 32 1  1  o 80.14577 30.36870 60.70163   66.94199 60.70163   66.94199 ?          ?        80.14577 30.36870 ?        ?        ?         ?        
1 1 1 32 1  2  o 93.20650 30.71447 98.71106   66.37468 98.71106   66.37468 ?          ?        93.20650 30.71447 ?        ?        ?         ?        
1 1 1 32 1  3  o 120.4827 25.50220 163.9511   59.56702 163.9511   59.56702 ?          ?        120.4827 25.50220 ?        ?        ?         ?        
1 1 1 32 1  4  o 50.94009 24.76108 -115.7302  79.99000 -115.7302  79.99000 ?          ?        50.94009 24.76108 ?        ?        ?         ?        
1 1 1 32 1  5  o 89.58137 31.18327 90.76879   68.64390 90.76879   68.64390 ?          ?        89.58137 31.18327 ?        ?        ?         ?        
1 1 1 32 1  6  o 52.09911 23.01513 -5.105744  47.08631 -5.105744  47.08631 ?          ?        52.09911 23.01513 ?        ?        ?         ?        
1 1 1 32 1  7  o 85.20150 27.19336 86.23035   52.19205 86.23035   52.19205 ?          ?        85.20150 27.19336 ?        ?        ?         ?        
1 1 1 32 1  8  o 102.4586 24.40124 124.2398   49.35553 124.2398   49.35553 ?          ?        102.4586 24.40124 ?        ?        ?         ?        
1 1 1 32 1  9  o 84.55237 23.38383 85.66305   40.84595 85.66305   40.84595 ?          ?        84.55237 23.38383 ?        ?        ?         ?        
1 1 1 32 1  10 o 65.36050 22.84533 48.78823   36.87482 48.78823   36.87482 ?          ?        65.36050 22.84533 ?        ?        ?         ?        
1 1 1 32 2  1  f 124.2974 28.83200 178.1338   70.34581 178.1338   70.34581 ?          ?        124.2974 28.83200 ?        ?        ?         ?        
1 1 1 32 2  2  o 58.49648 26.04955 -11.91340  61.83624 -11.91340  61.83624 ?          ?        58.49648 26.04955 ?        ?        ?         ?        
1 1 1 32 2  3  o 83.44467 28.25322 76.01886   56.16319 76.01886   56.16319 ?          ?        83.44467 28.25322 ?        ?        ?         ?        
1 1 1 32 2  4  o 118.5630 25.37800 159.9800   58.43241 159.9800   58.43241 ?          ?        118.5630 25.37800 ?        ?        ?         ?        
1 1 1 32 2  5  o 53.09188 24.06640 -19.85567  55.02858 -19.85567  55.02858 ?          ?        53.09188 24.06640 ?        ?        ?         ?        
1 1 1 32 2  6  o 40.99525 19.85143 -73.18234  50.49014 -73.18234  50.49014 ?          ?        40.99525 19.85143 ?        ?        ?         ?        
1 1 1 32 2  7  o 91.13384 26.45778 99.27837   51.05745 99.27837   51.05745 ?          ?        91.13384 26.45778 ?        ?        ?         ?        
1 1 1 32 2  8  o 66.71220 24.69609 45.95170   43.68248 45.95170   43.68248 ?          ?        66.71220 24.69609 ?        ?        ?         ?        
1 1 1 32 2  9  o 150.5241 14.88702 241.1046   44.81709 241.1046   44.81709 ?          ?        150.5241 14.88702 ?        ?        ?         ?        
1 1 1 32 2  10 o 46.64866 21.02563 -7.942269  41.41326 -7.942269  41.41326 ?          ?        46.64866 21.02563 ?        ?        ?         ?        
1 1 1 32 3  0  o 41.72308 29.55987 -85.66305  94.17262 -85.66305  94.17262 -85.66305  94.17262 41.72308 29.55987 41.72308 29.55987 -0.000000 0.000000 
1 1 1 32 3  1  o 59.29109 25.61714 3.403830   55.59589 3.403830   55.59589 ?          ?        59.29109 25.61714 ?        ?        ?         ?        
1 1 1 32 3  2  o 160.5977 21.37138 275.1429   68.64390 275.1429   68.64390 ?          ?        160.5977 21.37138 ?        ?        ?         ?        
1 1 1 32 3  3  f 76.94150 28.54688 57.86510   58.43241 57.86510   58.43241 ?          ?        76.94150 28.54688 ?        ?        ?         ?        
1 1 1 32 3  4  o 39.36736 19.39162 -100.9803  53.32666 -100.9803  53.32666 ?          ?        39.36736 19.39162 ?        ?        ?         ?        
1 1 1 32 3  5  o 100.2153 26.68827 116.2975   54.46128 116.2975   54.46128 ?          ?        100.2153 26.68827 ?        ?        ?         ?        
1 1 1 32 3  6  o 51.93047 23.59035 -19.28837  53.32666 -19.28837  53.32666 ?          ?        51.93047 23.59035 ?        ?        ?         ?        
1 1 1 32 3  7  o 40.73652 19.79539 -75.45156  51.05745 -75.45156  51.05745 ?          ?        40.73652 19.79539 ?        ?        ?         ?        
1 1 1 32 3  8  o 55.80857 22.99360 19.28837   41.41326 19.28837   41.41326 ?          ?        55.80857 22.99360 ?        ?        ?         ?        
1 1 1 32 3  9  o 52.01283 22.28218 9.644185   41.41326 9.644185   41.41326 ?          ?        52.01283 22.28218 ?        ?        ?         ?        
1 1 1 32 3  10 o 62.77044 24.08615 40.84595   42.54787 40.84595   42.54787 ?          ?        62.77044 24.08615 ?        ?        ?         ?        
1 1 1 32 4  0  o 65.20927 40.84715 47.65361   107.2206 47.65361   107.2206 47.65361   107.2206 65.20927 40.84715 65.20927 40.84715 -0.000000 0.000000 
1 1 1 32 4  1  o 76.44415 30.27895 47.65361   68.64390 47.65361   68.64390 ?          ?        76.44415 30.27895 ?        ?        ?         ?        
1 1 1 32 4  2  o 85.49529 27.96637 81.12460   55.02858 81.12460   55.02858 ?          ?        85.49529 27.96637 ?        ?        ?         ?        
1 1 1 32 4  3  o 52.33170 24.18041 -36.87482  59.56702 -36.87482  59.56702 ?          ?        52.33170 24.18041 ?        ?        ?         ?        
1 1 1 32 4  4  o 61.64586 25.86873 16.45185   53.89397 16.45185   53.89397 ?          ?        61.64586 25.86873 ?        ?        ?         ?        
1 1 1 32 4  5  o 95.82558 24.92777 104.9514   48.22092 104.9514   48.22092 ?          ?        95.82558 24.92777 ?        ?        ?         ?        
1 1 1 32 4  6  o 74.55631 28.53080 54.46128   59.56702 54.46128   59.56702 ?          ?        74.55631 28.53080 ?        ?        ?         ?        
1 1 1 32 4  7  o 56.86612 23.79451 16.45185   45.38440 16.45185   45.38440 ?          ?        56.86612 23.79451 ?        ?        ?         ?        
1 1 1 32 4  8  o 120.8061 16.67079 156.0089   40.27865 156.0089   40.27865 ?          ?        120.8061 16.67079 ?        ?        ?         ?        
1 1 1 32 4  9  o 49.13552 20.95033 8.509575   36.30752 8.509575   36.30752 ?          ?        49.13552 20.95033 ?        ?        ?         ?        
1 1 1 32 4  10 o 59.30118 22.26126 36.30752   35.74022 36.30752   35.74022 ?          ?        59.30118 22.26126 ?        ?        ?         ?        
1 1 1 32 5  0  o 64.71195 40.97295 41.98057   111.1918 41.98057   111.1918 41.98057   111.1918 64.71195 40.97295 64.71195 40.97295 -0.000000 0.000000 
1 1 1 32 5  1  o 173.2846 21.60730 320.5273   74.88425 320.5273   74.88425 ?          ?        173.2846 21.60730 ?        ?        ?         ?        
1 1 1 32 5  2  o 73.80679 28.25377 48.78823   58.43241 48.78823   58.43241 ?          ?        73.80679 28.25377 ?        ?        ?         ?        
1 1 1 32 5  3  o 48.72020 22.46399 -31.76908  51.05745 -31.76908  51.05745 ?          ?        48.72020 22.46399 ?        ?        ?         ?        
1 1 1 32 5  4  o 57.95330 25.70700 -7.942269  59.56702 -7.942269  59.56702 ?          ?        57.95330 25.70700 ?        ?        ?         ?        
1 1 1 32 5  5  o 84.27413 28.39554 79.42269   56.73050 79.42269   56.73050 ?          ?        84.27413 28.39554 ?        ?        ?         ?        
1 1 1 32 5  6  o 122.9289 22.53010 170.1915   53.32666 170.1915   53.32666 ?          ?        122.9289 22.53010 ?        ?        ?         ?        
1 1 1 32 5  7  o 41.52156 19.23509 -24.96142  38.00943 -24.96142  38.00943 ?          ?        41.52156 19.23509 ?        ?        ?         ?        
1 1 1 32 5  8  o 72.76479 23.75741 60.70163   39.71135 60.70163   39.71135 ?          ?        72.76479 23.75741 ?        ?        ?         ?        
1 1 1 32 5  9  o 84.75927 20.31382 83.39383   34.03830 83.39383   34.03830 ?          ?        84.75927 20.31382 ?        ?        ?         ?        
1 1 1 32 5  10 o 50.17550 22.21944 0.5673050  44.24979 0.5673050  44.24979 ?          ?        50.17550 22.21944 ?        ?        ?         ?        
1 1 1 32 6  0  o 114.4107 46.63401 202.5279   104.3841 202.5279   104.3841 202.5279   104.3841 114.4107 46.63401 114.4107 46.63401 -0.000000 0.000000 
1 1 1 32 6  1  o 129.5698 27.14298 191.1818   68.07660 191.1818   68.07660 ?          ?        129.5698 27.14298 ?        ?        ?         ?        
1 1 1 32 6  2  o 59.50027 26.45369 -10.77879  63.53815 -10.77879  63.53815 ?          ?        59.50027 26.45369 ?        ?        ?         ?        
1 1 1 32 6  3  o 54.11783 24.67670 -27.23064  59.56702 -27.23064  59.56702 ?          ?        54.11783 24.67670 ?        ?        ?         ?        
1 1 1 32 6  4  o 131.2000 20.75505 184.3741   54.46128 184.3741   54.46128 ?          ?        131.2000 20.75505 ?        ?        ?         ?        
1 1 1 32 6  5  o 79.90258 28.16803 68.64390   56.16319 68.64390   56.16319 ?          ?        79.90258 28.16803 ?        ?        ?         ?        
1 1 1 32 6  6  o 51.72776 21.62637 11.34610   37.44213 11.34610   37.44213 ?          ?        51.72776 21.62637 ?        ?        ?         ?        
1 1 1 32 6  7  o 93.58736 21.11175 99.84568   38.57674 99.84568   38.57674 ?          ?        93.58736 21.11175 ?        ?        ?         ?        
1 1 1 32 6  8  o 77.73343 23.93349 70.91312   40.84595 70.91312   40.84595 ?          ?        77.73343 23.93349 ?        ?        ?         ?        
1 1 1 32 6  9  o 64.35280 23.12340 45.38440   38.00943 45.38440   38.00943 ?          ?        64.35280 23.12340 ?        ?        ?         ?        
1 1 1 32 6  10 o 52.85060 21.72287 19.85567   36.87482 19.85567   36.87482 ?          ?        52.85060 21.72287 ?        ?        ?         ?        
1 1 1 32 7  0  o 42.89391 28.81409 -14.18262  67.50929 -14.18262  67.50929 -14.18262  67.50929 42.89391 28.81409 42.89391 28.81409 -0.000000 0.000000 
1 1 1 32 7  1  o 120.1975 26.66264 164.5184   62.40355 164.5184   62.40355 ?          ?        120.1975 26.66264 ?        ?        ?         ?        
1 1 1 32 7  2  o 64.03288 26.28070 23.25950   53.89397 23.25950   53.89397 ?          ?        64.03288 26.28070 ?        ?        ?         ?        
1 1 1 32 7  3  o 100.7767 29.07157 118.5667   61.83624 118.5667   61.83624 ?          ?        100.7767 29.07157 ?        ?        ?         ?        
1 1 1 32 7  4  o 103.4512 26.48306 123.6725   55.02858 123.6725   55.02858 ?          ?        103.4512 26.48306 ?        ?        ?         ?        
1 1 1 32 7  5  o 109.8293 24.15633 136.7205   51.62476 136.7205   51.62476 ?          ?        109.8293 24.15633 ?        ?        ?         ?        
1 1 1 32 7  6  o 48.90855 21.31697 0.000000   39.14404 0.000000   39.14404 ?          ?        48.90855 21.31697 ?        ?        ?         ?        
1 1 1 32 7  7  f 70.94228 23.58708 56.73050   39.14404 56.73050   39.14404 ?          ?        70.94228 23.58708 ?        ?        ?         ?        
1 1 1 32 7  8  o 49.11381 21.20020 4.538440   38.00943 4.538440   38.00943 ?          ?        49.11381 21.20020 ?        ?        ?         ?        
1 1 1 32 7  9  o 44.31811 19.76797 -5.673049  35.74022 -5.673049  35.74022 ?          ?        44.31811 19.76797 ?        ?        ?         ?        
1 1 1 32 7  10 o 66.34917 22.17760 51.62476   34.60560 51.62476   34.60560 ?          ?        66.34917 22.17760 ?        ?        ?         ?        
1 1 1 32 8  0  o 39.04242 26.12613 -10.21149  54.46128 -10.21149  54.46128 -10.21149  54.46128 39.04242 26.12613 39.04242 26.12613 -0.000000 0.000000 
1 1 1 32 8  1  o 75.21717 31.02107 36.30752   75.45156 36.30752   75.45156 ?          ?        75.21717 31.02107 ?        ?        ?         ?        
1 1 1 32 8  2  f 43.20551 21.27825 -128.2109  65.80738 -128.2109  65.80738 ?          ?        43.20551 21.27825 ?        ?        ?         ?        
1 1 1 32 8  3  o 67.84693 27.52607 31.20177   58.43241 31.20177   58.43241 ?          ?        67.84693 27.52607 ?        ?        ?         ?        
1 1 1 32 8  4  o 62.15731 24.51454 29.49986   44.81709 29.49986   44.81709 ?          ?        62.15731 24.51454 ?        ?        ?         ?        
1 1 1 32 8  5  o 101.4642 25.00819 117.9994   50.49014 117.9994   50.49014 ?          ?        101.4642 25.00819 ?        ?        ?         ?        
1 1 1 32 8  6  o 53.69582 23.24572 4.538440   45.95170 4.538440   45.95170 ?          ?        53.69582 23.24572 ?        ?        ?         ?        
1 1 1 32 8  7  o 103.6018 19.87433 120.8360   39.71135 120.8360   39.71135 ?          ?        103.6018 19.87433 ?        ?        ?         ?        
1 1 1 32 8  8  o 72.38305 23.02543 60.70163   37.44213 60.70163   37.44213 ?          ?        72.38305 23.02543 ?        ?        ?         ?        
1 1 1 32 8  9  o 63.74231 22.30883 45.38440   35.17290 45.38440   35.17290 ?          ?        63.74231 22.30883 ?        ?        ?         ?        
1 1 1 32 8  10 f 28.81101 14.19869 -57.86510  29.49986 -57.86510  29.49986 ?          ?        28.81101 14.19869 ?        ?        ?         ?        
1 1 1 32 9  0  o 173.0158 23.10655 326.2003   77.72078 326.2003   77.72078 326.2003   77.72078 173.0158 23.10655 173.0158 23.10655 -0.000000 0.000000 
1 1 1 32 9  1  o 57.13181 27.61142 -121.9706  95.87454 -121.9706  95.87454 ?          ?        57.13181 27.61142 ?        ?        ?         ?        
1 1 1 32 9  3  o 106.1944 21.58498 124.8071   44.24979 124.8071   44.24979 ?          ?        106.1944 21.58498 ?        ?        ?         ?        
1 1 1 32 9  4  o 43.06983 19.78141 -23.82681  39.14404 -23.82681  39.14404 ?          ?        43.06983 19.78141 ?        ?        ?         ?        
1 1 1 32 9  5  o 76.27174 24.91698 64.10546   43.68248 64.10546   43.68248 ?          ?        76.27174 24.91698 ?        ?        ?         ?        
1 1 1 32 9  6  o 146.2625 16.09651 226.3547   47.08631 226.3547   47.08631 ?          ?        146.2625 16.09651 ?        ?        ?         ?        
1 1 1 32 9  7  o 58.41917 23.66783 25.52872   43.11518 25.52872   43.11518 ?          ?        58.41917 23.66783 ?        ?        ?         ?        
1 1 1 32 9  8  o 145.6745 12.46187 221.2489   36.30752 221.2489   36.30752 ?          ?        145.6745 12.46187 ?        ?        ?         ?        
1 1 1 32 9  9  o 43.57136 19.44281 -5.673049  34.60560 -5.673049  34.60560 ?          ?        43.57136 19.44281 ?        ?        ?         ?        
1 1 1 32 9  10 o 51.65227 20.15454 23.82681   30.06716 23.82681   30.06716 ?          ?        51.65227 20.15454 ?        ?        ?         ?        
1 1 1 32 10 0  o 53.91303 34.76180 17.58645   83.96114 17.58645   83.96114 17.58645   83.96114 53.91303 34.76180 53.91303 34.76180 -0.000000 0.000000 
1 1 1 32 10 1  o 43.43718 21.15402 -94.17262  58.99971 -94.17262  58.99971 ?          ?        43.43718 21.15402 ?        ?        ?         ?        
1 1 1 32 10 2  o 83.80644 33.31743 62.40355   83.39383 62.40355   83.39383 ?          ?        83.80644 33.31743 ?        ?        ?         ?        
1 1 1 32 10 3  o 59.41082 24.20545 20.99029   45.38440 20.99029   45.38440 ?          ?        59.41082 24.20545 ?        ?        ?         ?        
1 1 1 32 10 4  o 38.48896 18.75130 -76.01886  46.51900 -76.01886  46.51900 ?          ?        38.48896 18.75130 ?        ?        ?         ?        
1 1 1 32 10 5  o 162.5888 15.52694 275.7102   50.49014 275.7102   50.49014 ?          ?        162.5888 15.52694 ?        ?        ?         ?        
1 1 1 32 10 6  o 52.40551 22.10826 10.77879   39.71135 10.77879   39.71135 ?          ?        52.40551 22.10826 ?        ?        ?         ?        
1 1 1 32 10 7  f 61.42972 23.23847 36.87482   39.14404 36.87482   39.14404 ?          ?        61.42972 23.23847 ?        ?        ?         ?        
1 1 1 32 10 8  o 77.30205 21.57297 69.77851   34.60560 69.77851   34.60560 ?          ?        77.30205 21.57297 ?        ?        ?         ?        
1 1 1 32 10 9  o 89.38058 20.70099 93.60532   36.30752 93.60532   36.30752 ?          ?        89.38058 20.70099 ?        ?        ?         ?        
1 1 1 32 10 10 o 41.52287 19.12461 -17.58645  36.87482 -17.58645  36.87482 ?          ?        41.52287 19.12461 ?        ?        ?         ?        
1 1 1 32 11 1  o 55.82903 24.05786 3.403830   48.78823 3.403830   48.78823 ?          ?        55.82903 24.05786 ?        ?        ?         ?        
1 1 1 32 11 2  o 107.5419 38.53889 140.6916   105.5187 140.6916   105.5187 ?          ?        107.5419 38.53889 ?        ?        ?         ?        
1 1 1 32 11 3  o 125.3778 19.23025 166.7877   48.22092 166.7877   48.22092 ?          ?        125.3778 19.23025 ?        ?        ?         ?        
1 1 1 32 11 4  o 72.78527 26.86680 52.19205   51.62476 52.19205   51.62476 ?          ?        72.78527 26.86680 ?        ?        ?         ?        
1 1 1 32 11 5  o 213.4361 11.03054 465.7574   47.08631 465.7574   47.08631 ?          ?        213.4361 11.03054 ?        ?        ?         ?        
1 1 1 32 11 6  o 70.24376 28.63318 40.27865   63.53815 40.27865   63.53815 ?          ?        70.24376 28.63318 ?        ?        ?         ?        
1 1 1 32 11 7  o 119.5327 17.79759 154.8743   42.54787 154.8743   42.54787 ?          ?        119.5327 17.79759 ?        ?        ?         ?        
1 1 1 32 11 8  o 88.09203 21.68961 90.76879   38.00943 90.76879   38.00943 ?          ?        88.09203 21.68961 ?        ?        ?         ?        
1 1 1 32 11 9  o 56.73676 22.73038 27.23064   39.14404 27.23064   39.14404 ?          ?        56.73676 22.73038 ?        ?        ?         ?        
1 1 1 32 11 10 o 48.26034 20.85720 6.807660   36.87482 6.807660   36.87482 ?          ?        48.26034 20.85720 ?        ?        ?         ?        
1 1 1 32 12 0  o 38.60160 28.37832 -241.6719  124.8071 -241.6719  124.8071 -241.6719  124.8071 38.60160 28.37832 38.60160 28.37832 -0.000000 0.000000 
1 1 1 32 12 2  o 55.43760 24.31856 -2.836525  51.62476 -2.836525  51.62476 ?          ?        55.43760 24.31856 ?        ?        ?         ?        
1 1 1 32 12 3  o 154.2514 16.36619 248.4796   50.49014 248.4796   50.49014 ?          ?        154.2514 16.36619 ?        ?        ?         ?        
1 1 1 32 12 4  o 56.32063 23.44070 14.18262   43.68248 14.18262   43.68248 ?          ?        56.32063 23.44070 ?        ?        ?         ?        
1 1 1 32 12 5  o 107.3419 17.44059 121.9706   37.44213 121.9706   37.44213 ?          ?        107.3419 17.44059 ?        ?        ?         ?        
1 1 1 32 12 6  o 106.3797 30.44327 141.8262   68.07660 141.8262   68.07660 ?          ?        106.3797 30.44327 ?        ?        ?         ?        
1 1 1 32 12 7  o 70.62316 23.41554 56.73050   38.57674 56.73050   38.57674 ?          ?        70.62316 23.41554 ?        ?        ?         ?        
1 1 1 32 12 8  o 129.4521 14.68088 177.5665   38.00943 177.5665   38.00943 ?          ?        129.4521 14.68088 ?        ?        ?         ?        
1 1 1 32 12 9  o 62.12698 21.42403 43.11518   32.33638 43.11518   32.33638 ?          ?        62.12698 21.42403 ?        ?        ?         ?        
1 1 1 32 12 10 o 72.96832 25.50272 65.24007   45.95170 65.24007   45.95170 ?          ?        72.96832 25.50272 ?        ?        ?         ?        
1 1 1 32 13 0  o 46.07060 32.20531 -68.64390  103.8168 -68.64390  103.8168 -68.64390  103.8168 46.07060 32.20531 46.07060 32.20531 -0.000000 0.000000 
1 1 1 32 13 1  o 66.66876 29.32144 1.134610   75.45156 1.134610   75.45156 ?          ?        66.66876 29.32144 ?        ?        ?         ?        
1 1 1 32 13 2  o 52.77396 23.25388 -5.105744  47.65361 -5.105744  47.65361 ?          ?        52.77396 23.25388 ?        ?        ?         ?        
1 1 1 32 13 3  o 103.1339 22.62000 119.1340   45.38440 119.1340   45.38440 ?          ?        103.1339 22.62000 ?        ?        ?         ?        
1 1 1 32 13 4  o 93.18071 23.92712 98.71106   44.81709 98.71106   44.81709 ?          ?        93.18071 23.92712 ?        ?        ?         ?        
1 1 1 32 13 5  o 55.98870 22.91242 18.72106   40.84595 18.72106   40.84595 ?          ?        55.98870 22.91242 ?        ?        ?         ?        
1 1 1 32 13 6  o 68.70888 26.27475 45.95170   50.49014 45.95170   50.49014 ?          ?        68.70888 26.27475 ?        ?        ?         ?        
1 1 1 32 13 7  o 58.63476 23.31515 27.79794   40.84595 27.79794   40.84595 ?          ?        58.63476 23.31515 ?        ?        ?         ?        
1 1 1 32 13 8  o 58.97606 21.64861 35.17290   33.47099 35.17290   33.47099 ?          ?        58.97606 21.64861 ?        ?        ?         ?        
1 1 1 32 13 9  o 37.91451 17.87906 -31.76908  35.74022 -31.76908  35.74022 ?          ?        37.91451 17.87906 ?        ?        ?         ?        
1 1 1 32 14 0  o 46.48774 31.99668 -38.57674  92.47070 -38.57674  92.47070 -38.57674  92.47070 46.48774 31.99668 46.48774 31.99668 -0.000000 0.000000 
1 1 1 32 14 1  f 68.19264 26.88651 37.44213   53.89397 37.44213   53.89397 ?          ?        68.19264 26.88651 ?        ?        ?         ?        
1 1 1 32 14 2  o 110.2343 21.08087 133.8840   44.81709 133.8840   44.81709 ?          ?        110.2343 21.08087 ?        ?        ?         ?        
1 1 1 32 14 3  o 71.66034 24.73575 53.89397   43.11518 53.89397   43.11518 ?          ?        71.66034 24.73575 ?        ?        ?         ?        
1 1 1 32 14 4  o 54.54215 22.94085 10.77879   42.54787 10.77879   42.54787 ?          ?        54.54215 22.94085 ?        ?        ?         ?        
1 1 1 32 14 5  o 145.3343 15.22345 221.8162   44.24979 221.8162   44.24979 ?          ?        145.3343 15.22345 ?        ?        ?         ?        
1 1 1 32 14 6  o 56.49946 22.88181 22.12490   40.27865 22.12490   40.27865 ?          ?        56.49946 22.88181 ?        ?        ?         ?        
1 1 1 32 14 7  o 51.30948 21.63680 10.77879   38.00943 10.77879   38.00943 ?          ?        51.30948 21.63680 ?        ?        ?         ?        
1 1 1 32 14 8  o 49.39341 21.25906 6.240355   38.00943 6.240355   38.00943 ?          ?        49.39341 21.25906 ?        ?        ?         ?        
1 1 1 32 14 9  o 60.30538 22.87392 36.87482   38.00943 36.87482   38.00943 ?          ?        60.30538 22.87392 ?        ?        ?         ?        
1 1 1 32 15 0  o 50.65343 33.88025 -8.509575  91.33610 -8.509575  91.33610 -8.509575  91.33610 50.65343 33.88025 50.65343 33.88025 -0.000000 0.000000 
1 1 1 32 15 1  o 95.95710 19.00326 100.4130   35.17290 100.4130   35.17290 ?          ?        95.95710 19.00326 ?        ?        ?         ?        
1 1 1 32 15 2  o 76.84393 25.23851 64.67276   44.81709 64.67276   44.81709 ?          ?        76.84393 25.23851 ?        ?        ?         ?        
1 1 1 32 15 3  o 98.97038 24.00113 111.1918   47.08631 111.1918   47.08631 ?          ?        98.97038 24.00113 ?        ?        ?         ?        
1 1 1 32 15 4  o 84.69514 23.80138 81.69191   41.98057 81.69191   41.98057 ?          ?        84.69514 23.80138 ?        ?        ?         ?        
1 1 1 32 15 5  o 118.4942 18.67171 151.4704   44.24979 151.4704   44.24979 ?          ?        118.4942 18.67171 ?        ?        ?         ?        
1 1 1 32 15 6  o 121.2318 19.18597 160.5473   46.51900 160.5473   46.51900 ?          ?        121.2318 19.18597 ?        ?        ?         ?        
1 1 1 32 15 7  o 78.30418 21.46564 70.91312   34.60560 70.91312   34.60560 ?          ?        78.30418 21.46564 ?        ?        ?         ?        
1 1 1 32 15 8  o 72.96082 21.94315 62.40355   34.60560 62.40355   34.60560 ?          ?        72.96082 21.94315 ?        ?        ?         ?        
1 1 1 32 15 9  o 66.33530 21.62539 51.05745   32.90369 51.05745   32.90369 ?          ?        66.33530 21.62539 ?        ?        ?         ?        
1 1 1 32 16 0  o 66.17493 36.87023 70.91312   71.48043 70.91312   71.48043 70.91312   71.48043 66.17493 36.87023 66.17493 36.87023 -0.000000 0.000000 
1 1 1 32 16 1  o 57.37514 23.71784 16.45185   44.24979 16.45185   44.24979 ?          ?        57.37514 23.71784 ?        ?        ?         ?        
1 1 1 32 16 2  f 82.72098 25.17970 77.15348   45.38440 77.15348   45.38440 ?          ?        82.72098 25.17970 ?        ?        ?         ?        
1 1 1 32 16 3  o 148.6229 15.84087 230.3258   47.08631 230.3258   47.08631 ?          ?        148.6229 15.84087 ?        ?        ?         ?        
1 1 1 32 16 4  o 122.5725 16.66196 158.2781   40.84595 158.2781   40.84595 ?          ?        122.5725 16.66196 ?        ?        ?         ?        
1 1 1 32 16 5  o 49.49354 21.86921 -3.971134  42.54787 -3.971134  42.54787 ?          ?        49.49354 21.86921 ?        ?        ?         ?        
1 1 1 32 16 6  o 96.21899 24.18242 110.6245   46.51900 110.6245   46.51900 ?          ?        96.21899 24.18242 ?        ?        ?         ?        
1 1 1 32 16 7  o 66.11421 23.02884 48.22092   37.44213 48.22092   37.44213 ?          ?        66.11421 23.02884 ?        ?        ?         ?        
1 1 1 32 16 8  o 39.17110 17.81701 -12.48071  30.63447 -12.48071  30.63447 ?          ?        39.17110 17.81701 ?        ?        ?         ?        
1 1 1 32 16 9  o 74.63187 22.27061 66.94199   35.74022 66.94199   35.74022 ?          ?        74.63187 22.27061 ?        ?        ?         ?        
1 1 1 32 17 0  o 73.57514 33.05125 83.96114   51.62476 83.96114   51.62476 83.96114   51.62476 73.57514 33.05125 73.57514 33.05125 -0.000000 0.000000 
1 1 1 32 17 1  o 112.5951 18.39035 133.8840   41.41326 133.8840   41.41326 ?          ?        112.5951 18.39035 ?        ?        ?         ?        
1 1 1 32 17 2  o 93.37794 24.35427 99.27837   45.95170 99.27837   45.95170 ?          ?        93.37794 24.35427 ?        ?        ?         ?        
1 1 1 32 17 3  o 104.6362 21.07128 121.4033   42.54787 121.4033   42.54787 ?          ?        104.6362 21.07128 ?        ?        ?         ?        
1 1 1 32 17 4  f 44.18010 20.42239 -26.66333  42.54787 -26.66333  42.54787 ?          ?        44.18010 20.42239 ?        ?        ?         ?        
1 1 1 32 17 5  o 73.53091 24.75466 60.70163   43.11518 60.70163   43.11518 ?          ?        73.53091 24.75466 ?        ?        ?         ?        
1 1 1 32 17 6  o 58.08259 22.52630 30.06716   37.44213 30.06716   37.44213 ?          ?        58.08259 22.52630 ?        ?        ?         ?        
1 1 1 32 17 7  o 127.0809 15.62444 172.4607   39.71135 172.4607   39.71135 ?          ?        127.0809 15.62444 ?        ?        ?         ?        
1 1 1 32 17 8  o 36.97529 17.65806 -38.57674  36.30752 -38.57674  36.30752 ?          ?        36.97529 17.65806 ?        ?        ?         ?        
1 1 1 32 17 9  o 43.57617 19.01199 1.701915   31.20177 1.701915   31.20177 ?          ?        43.57617 19.01199 ?        ?        ?         ?        
1 1 1 32 18 0  f 42.98385 27.04509 15.31723   47.65361 15.31723   47.65361 15.31723   47.65361 42.98385 27.04509 42.98385 27.04509 -0.000000 0.000000 
1 1 1 32 18 1  o 55.23360 21.85758 21.55759   35.74022 21.55759   35.74022 ?          ?        55.23360 21.85758 ?        ?        ?         ?        
1 1 1 32 18 2  o 129.4596 14.46093 173.5953   37.44213 173.5953   37.44213 ?          ?        129.4596 14.46093 ?        ?        ?         ?        
1 1 1 32 18 3  o 82.89487 23.96679 78.28809   41.98057 78.28809   41.98057 ?          ?        82.89487 23.96679 ?        ?        ?         ?        
1 1 1 32 18 4  o 81.02417 23.71036 76.01886   40.84595 76.01886   40.84595 ?          ?        81.02417 23.71036 ?        ?        ?         ?        
1 1 1 32 18 5  o 82.25028 25.01894 79.42269   44.81709 79.42269   44.81709 ?          ?        82.25028 25.01894 ?        ?        ?         ?        
1 1 1 32 18 6  o 31.99221 15.75890 -66.37468  35.17290 -66.37468  35.17290 ?          ?        31.99221 15.75890 ?        ?        ?         ?        
1 1 1 32 18 7  o 89.77155 22.21096 94.73994   39.71135 94.73994   39.71135 ?          ?        89.77155 22.21096 ?        ?        ?         ?        
1 1 1 32 18 8  o 37.15696 17.72411 -37.44213  36.30752 -37.44213  36.30752 ?          ?        37.15696 17.72411 ?        ?        ?         ?        
1 1 1 32 18 9  o 33.12021 16.01172 -43.68248  32.33638 -43.68248  32.33638 ?          ?        33.12021 16.01172 ?        ?        ?         ?        
1 1 1 32 19 0  o 27.37721 19.84821 -86.23035  53.32666 -86.23035  53.32666 -86.23035  53.32666 27.37721 19.84821 27.37721 19.84821 -0.000000 0.000000 
1 1 1 32 19 1  o 56.16049 22.20894 22.69220   36.87482 22.69220   36.87482 ?          ?        56.16049 22.20894 ?        ?        ?         ?        
1 1 1 32 19 2  o 40.29924 18.32350 -15.88454  32.33638 -15.88454  32.33638 ?          ?        40.29924 18.32350 ?        ?        ?         ?        
1 1 1 32 19 3  o 82.01848 21.26813 76.01886   35.17290 76.01886   35.17290 ?          ?        82.01848 21.26813 ?        ?        ?         ?        
1 1 1 32 19 4  o 44.95924 20.44446 -16.45185  40.27865 -16.45185  40.27865 ?          ?        44.95924 20.44446 ?        ?        ?         ?        
1 1 1 32 19 5  o 67.13850 22.71645 49.92284   36.30752 49.92284   36.30752 ?          ?        67.13850 22.71645 ?        ?        ?         ?        
1 1 1 32 19 6  f 41.78806 19.25603 -21.55759  37.44213 -21.55759  37.44213 ?          ?        41.78806 19.25603 ?        ?        ?         ?        
1 1 1 32 19 7  f 38.77051 18.18146 -28.93255  35.74022 -28.93255  35.74022 ?          ?        38.77051 18.18146 ?        ?        ?         ?        
1 1 1 32 19 8  o 38.77598 18.28956 -32.90369  37.44213 -32.90369  37.44213 ?          ?        38.77598 18.28956 ?        ?        ?         ?        
1 1 1 32 19 9  o 71.44619 20.91155 60.70163   31.76908 60.70163   31.76908 ?          ?        71.44619 20.91155 ?        ?        ?         ?        
1 1 1 32 20 0  o 29.41393 20.93556 -51.62476  48.78823 -51.62476  48.78823 -51.62476  48.78823 29.41393 20.93556 29.41393 20.93556 -0.000000 0.000000 
1 1 1 32 20 1  o 108.1780 17.04358 123.1052   36.87482 123.1052   36.87482 ?          ?        108.1780 17.04358 ?        ?        ?         ?        
1 1 1 32 20 2  o 43.17790 19.35025 -10.77879  34.60560 -10.77879  34.60560 ?          ?        43.17790 19.35025 ?        ?        ?         ?        
1 1 1 32 20 3  o 65.11971 22.67773 44.81709   36.30752 44.81709   36.30752 ?          ?        65.11971 22.67773 ?        ?        ?         ?        
1 1 1 32 20 4  o 66.52792 24.26199 45.38440   41.98057 45.38440   41.98057 ?          ?        66.52792 24.26199 ?        ?        ?         ?        
1 1 1 32 20 5  o 61.06966 22.67369 37.44213   36.87482 37.44213   36.87482 ?          ?        61.06966 22.67369 ?        ?        ?         ?        
1 1 1 32 20 6  o 65.44251 24.07483 44.81709   41.41326 44.81709   41.41326 ?          ?        65.44251 24.07483 ?        ?        ?         ?        
1 1 1 32 20 7  o 38.73857 17.98586 -22.12490  33.47099 -22.12490  33.47099 ?          ?        38.73857 17.98586 ?        ?        ?         ?        
1 1 1 32 20 8  o 43.54934 19.29987 -3.403830  33.47099 -3.403830  33.47099 ?          ?        43.54934 19.29987 ?        ?        ?         ?        
1 1 1 32 21 0  o 112.5863 22.72671 145.7974   45.38440 145.7974   45.38440 145.7974   45.38440 112.5863 22.72671 112.5863 22.72671 -0.000000 0.000000 
1 1 1 32 21 1  o 59.73859 23.19262 29.49986   39.71135 29.49986   39.71135 ?          ?        59.73859 23.19262 ?        ?        ?         ?        
1 1 1 32 21 2  o 110.6989 14.86180 128.2109   32.90369 128.2109   32.90369 ?          ?        110.6989 14.86180 ?        ?        ?         ?        
1 1 1 32 21 3  o 53.49759 21.39730 20.42298   34.60560 20.42298   34.60560 ?          ?        53.49759 21.39730 ?        ?        ?         ?        
1 1 1 32 21 4  o 125.7854 14.20683 165.6530   35.74022 165.6530   35.74022 ?          ?        125.7854 14.20683 ?        ?        ?         ?        
1 1 1 32 21 5  o 84.77660 21.66511 83.39383   36.87482 83.39383   36.87482 ?          ?        84.77660 21.66511 ?        ?        ?         ?        
1 1 1 32 21 6  o 113.3233 15.26853 136.7205   34.60560 136.7205   34.60560 ?          ?        113.3233 15.26853 ?        ?        ?         ?        
1 1 1 32 21 7  o 57.40328 22.71085 28.93255   38.57674 28.93255   38.57674 ?          ?        57.40328 22.71085 ?        ?        ?         ?        
1 1 1 32 21 8  o 63.72030 23.10084 44.81709   38.00943 44.81709   38.00943 ?          ?        63.72030 23.10084 ?        ?        ?         ?        
1 1 1 32 22 0  o 52.41417 29.63893 42.54787   47.08631 42.54787   47.08631 42.54787   47.08631 52.41417 29.63893 52.41417 29.63893 -0.000000 0.000000 
1 1 1 32 22 1  o 48.42318 19.83396 12.48071   30.63447 12.48071   30.63447 ?          ?        48.42318 19.83396 ?        ?        ?         ?        
1 1 1 32 22 2  o 125.7330 12.18235 163.3838   30.63447 163.3838   30.63447 ?          ?        125.7330 12.18235 ?        ?        ?         ?        
1 1 1 32 22 3  o 70.63201 21.64878 56.16319   33.47099 56.16319   33.47099 ?          ?        70.63201 21.64878 ?        ?        ?         ?        
1 1 1 32 22 4  o 60.62597 22.03601 37.44213   34.60560 37.44213   34.60560 ?          ?        60.62597 22.03601 ?        ?        ?         ?        
1 1 1 32 22 5  o 44.36657 19.70773 -6.240355  35.17290 -6.240355  35.17290 ?          ?        44.36657 19.70773 ?        ?        ?         ?        
1 1 1 32 22 6  o 88.58159 22.39132 92.47070   39.71135 92.47070   39.71135 ?          ?        88.58159 22.39132 ?        ?        ?         ?        
1 1 1 32 22 7  o 56.69033 21.34409 31.76908   32.90369 31.76908   32.90369 ?          ?        56.69033 21.34409 ?        ?        ?         ?        
1 1 1 32 22 8  o 51.41762 21.83306 13.04801   39.14404 13.04801   39.14404 ?          ?        51.41762 21.83306 ?        ?        ?         ?        
1 1 1 32 23 0  f 45.04806 28.00844 22.12490   49.35553 22.12490   49.35553 22.12490   49.35553 45.04806 28.00844 45.04806 28.00844 -0.000000 0.000000 
1 1 1 32 23 1  o 61.48936 21.23227 39.71135   31.76908 39.71135   31.76908 ?          ?        61.48936 21.23227 ?        ?        ?         ?        
1 1 1 32 23 2  o 79.04163 20.60542 70.91312   32.90369 70.91312   32.90369 ?          ?        79.04163 20.60542 ?        ?        ?         ?        
1 1 1 32 23 3  o 31.66718 15.33176 -45.38440  30.06716 -45.38440  30.06716 ?          ?        31.66718 15.33176 ?        ?        ?         ?        
1 1 1 32 23 4  o 46.25471 19.36170 9.076880   30.06716 9.076880   30.06716 ?          ?        46.25471 19.36170 ?        ?        ?         ?        
1 1 1 32 23 5  o 52.83359 20.54855 23.25950   31.20177 23.25950   31.20177 ?          ?        52.83359 20.54855 ?        ?        ?         ?        
1 1 1 32 23 6  o 48.13130 20.83003 3.971134   36.87482 3.971134   36.87482 ?          ?        48.13130 20.83003 ?        ?        ?         ?        
1 1 1 32 23 7  o 104.1320 24.37649 132.7494   49.92284 132.7494   49.92284 ?          ?        104.1320 24.37649 ?        ?        ?         ?        
1 1 1 32 23 8  f 101.8981 16.70213 114.0283   34.03830 114.0283   34.03830 ?          ?        101.8981 16.70213 ?        ?        ?         ?        
1 1 1 32 24 0  o 68.72124 31.71924 75.45156   47.65361 75.45156   47.65361 75.45156   47.65361 68.72124 31.71924 68.72124 31.71924 -0.000000 0.000000 
1 1 1 32 24 1  o 116.3249 14.63070 141.8262   34.03830 141.8262   34.03830 ?          ?        116.3249 14.63070 ?        ?        ?         ?        
1 1 1 32 24 2  o 99.99064 15.60235 105.5187   31.20177 105.5187   31.20177 ?          ?        99.99064 15.60235 ?        ?        ?         ?        
1 1 1 32 24 3  o 61.94847 21.24753 41.41326   31.76908 41.41326   31.76908 ?          ?        61.94847 21.24753 ?        ?        ?         ?        
1 1 1 32 24 4  o 78.44412 20.41648 70.34581   32.33638 70.34581   32.33638 ?          ?        78.44412 20.41648 ?        ?        ?         ?        
1 1 1 32 24 5  o 60.62030 20.85762 39.71135   30.63447 39.71135   30.63447 ?          ?        60.62030 20.85762 ?        ?        ?         ?        
1 1 1 32 24 6  o 55.79245 22.57297 23.82681   39.14404 23.82681   39.14404 ?          ?        55.79245 22.57297 ?        ?        ?         ?        
1 1 1 32 24 7  f 59.06619 23.86701 29.49986   43.68248 29.49986   43.68248 ?          ?        59.06619 23.86701 ?        ?        ?         ?        
1 1 1 32 24 8  o 151.7244 12.52582 242.8065   38.00943 242.8065   38.00943 ?          ?        151.7244 12.52582 ?        ?        ?         ?        
1 1 1 32 25 0  o 35.50240 23.74285 -6.807660  44.81709 -6.807660  44.81709 -6.807660  44.81709 35.50240 23.74285 35.50240 23.74285 -0.000000 0.000000 
1 1 1 32 25 1  f 86.98552 20.25166 85.66305   34.60560 85.66305   34.60560 ?          ?        86.98552 20.25166 ?        ?        ?         ?        
1 1 1 32 25 2  o 116.3222 14.38719 142.3935   33.47099 142.3935   33.47099 ?          ?        116.3222 14.38719 ?        ?        ?         ?        
1 1 1 32 25 3  o 30.72593 15.01606 -52.75936  30.63447 -52.75936  30.63447 ?          ?        30.72593 15.01606 ?        ?        ?         ?        
1 1 1 32 25 4  o 64.05534 20.86637 45.38440   30.63447 45.38440   30.63447 ?          ?        64.05534 20.86637 ?        ?        ?         ?        
1 1 1 32 25 5  o 47.28927 19.54984 11.91340   30.06716 11.91340   30.06716 ?          ?        47.28927 19.54984 ?        ?        ?         ?        
1 1 1 32 25 6  o 48.51057 19.49732 17.01915   28.93255 17.01915   28.93255 ?          ?        48.51057 19.49732 ?        ?        ?         ?        
1 1 1 32 25 7  o 45.49702 20.08109 -1.134610  35.74022 -1.134610  35.74022 ?          ?        45.49702 20.08109 ?        ?        ?         ?        
1 1 1 32 26 0  o 58.66566 30.76721 57.29780   47.08631 57.29780   47.08631 57.29780   47.08631 58.66566 30.76721 58.66566 30.76721 -0.000000 0.000000 
1 1 1 32 26 1  o 38.78571 17.36332 -7.942269  27.79794 -7.942269  27.79794 ?          ?        38.78571 17.36332 ?        ?        ?         ?        
1 1 1 32 26 2  o 79.32361 19.14333 71.48043   30.06716 71.48043   30.06716 ?          ?        79.32361 19.14333 ?        ?        ?         ?        
1 1 1 32 26 3  o 51.44490 20.13796 20.99029   30.06716 20.99029   30.06716 ?          ?        51.44490 20.13796 ?        ?        ?         ?        
1 1 1 32 26 4  o 32.02997 15.50190 -44.81709  30.63447 -44.81709  30.63447 ?          ?        32.02997 15.50190 ?        ?        ?         ?        
1 1 1 32 26 5  o 52.66201 21.47205 18.72106   35.74022 18.72106   35.74022 ?          ?        52.66201 21.47205 ?        ?        ?         ?        
1 1 1 32 26 6  o 44.04675 18.73881 6.240355   28.93255 6.240355   28.93255 ?          ?        44.04675 18.73881 ?        ?        ?         ?        
1 1 1 32 26 7  o 48.15147 20.83428 6.240355   36.87482 6.240355   36.87482 ?          ?        48.15147 20.83428 ?        ?        ?         ?        
1 1 1 32 27 0  o 81.50153 27.36219 90.76879   39.71135 90.76879   39.71135 90.76879   39.71135 81.50153 27.36219 81.50153 27.36219 -0.000000 0.000000 
1 1 1 32 27 1  o 41.46741 18.19780 -2.269220  28.93255 -2.269220  28.93255 ?          ?        41.46741 18.19780 ?        ?        ?         ?        
1 1 1 32 27 2  o 37.38384 17.48057 -25.52872  32.33638 -25.52872  32.33638 ?          ?        37.38384 17.48057 ?        ?        ?         ?        
1 1 1 32 27 3  o 89.53724 17.08603 88.49958   29.49986 88.49958   29.49986 ?          ?        89.53724 17.08603 ?        ?        ?         ?        
1 1 1 32 27 4  o 97.36565 16.02299 101.5476   31.20177 101.5476   31.20177 ?          ?        97.36565 16.02299 ?        ?        ?         ?        
1 1 1 32 27 5  o 43.48261 18.72203 3.403830   29.49986 3.403830   29.49986 ?          ?        43.48261 18.72203 ?        ?        ?         ?        
1 1 1 32 27 6  o 87.30479 17.83627 86.23035   30.06716 86.23035   30.06716 ?          ?        87.30479 17.83627 ?        ?        ?         ?        
1 1 1 32 27 7  o 98.63508 14.95404 104.9514   29.49986 104.9514   29.49986 ?          ?        98.63508 14.95404 ?        ?        ?         ?        
1 1 1 32 28 0  o 35.71923 23.22110 3.971134   38.57674 3.971134   38.57674 3.971134   38.57674 35.71923 23.22110 35.71923 23.22110 -0.000000 0.000000 
1 1 1 32 28 1  o 36.58787 17.15499 -27.23064  31.76908 -27.23064  31.76908 ?          ?        36.58787 17.15499 ?        ?        ?         ?        
1 1 1 32 28 2  o 122.7906 12.24327 156.5762   30.06716 156.5762   30.06716 ?          ?        122.7906 12.24327 ?        ?        ?         ?        
1 1 1 32 28 3  o 35.92596 17.09556 -35.17290  33.47099 -35.17290  33.47099 ?          ?        35.92596 17.09556 ?        ?        ?         ?        
1 1 1 32 28 4  f 51.38996 20.62987 19.28837   32.33638 19.28837   32.33638 ?          ?        51.38996 20.62987 ?        ?        ?         ?        
1 1 1 32 28 5  o 51.71241 20.43578 22.12490   31.20177 22.12490   31.20177 ?          ?        51.71241 20.43578 ?        ?        ?         ?        
1 1 1 32 28 6  f 70.84410 19.71088 58.43241   28.93255 58.43241   28.93255 ?          ?        70.84410 19.71088 ?        ?        ?         ?        
1 1 1 32 28 7  o 71.18262 20.93625 60.13433   31.76908 60.13433   31.76908 ?          ?        71.18262 20.93625 ?        ?        ?         ?        
1 1 1 32 29 0  o 67.48806 29.17443 70.34581   40.27865 70.34581   40.27865 70.34581   40.27865 67.48806 29.17443 67.48806 29.17443 -0.000000 0.000000 
1 1 1 32 29 1  o 53.01963 19.84600 26.09603   28.36525 26.09603   28.36525 ?          ?        53.01963 19.84600 ?        ?        ?         ?        
1 1 1 32 29 2  o 82.25359 19.28191 77.15348   31.20177 77.15348   31.20177 ?          ?        82.25359 19.28191 ?        ?        ?         ?        
1 1 1 32 29 3  o 55.25965 19.96371 30.63447   28.36525 30.63447   28.36525 ?          ?        55.25965 19.96371 ?        ?        ?         ?        
1 1 1 32 29 4  o 52.44634 19.64354 26.09603   27.79794 26.09603   27.79794 ?          ?        52.44634 19.64354 ?        ?        ?         ?        
1 1 1 32 29 5  o 48.49611 19.72080 15.88454   30.06716 15.88454   30.06716 ?          ?        48.49611 19.72080 ?        ?        ?         ?        
1 1 1 32 29 6  o 63.07733 20.03861 45.95170   28.36525 45.95170   28.36525 ?          ?        63.07733 20.03861 ?        ?        ?         ?        
1 1 1 32 30 0  o 34.25023 22.88475 -5.105744  41.41326 -5.105744  41.41326 -5.105744  41.41326 34.25023 22.88475 34.25023 22.88475 -0.000000 0.000000 
1 1 1 32 30 1  o 86.22571 16.71586 82.25922   27.79794 82.25922   27.79794 ?          ?        86.22571 16.71586 ?        ?        ?         ?        
1 1 1 32 30 2  o 51.47629 19.69118 23.25950   28.36525 23.25950   28.36525 ?          ?        51.47629 19.69118 ?        ?        ?         ?        
1 1 1 32 30 3  o 53.02541 20.41483 24.96142   30.63447 24.96142   30.63447 ?          ?        53.02541 20.41483 ?        ?        ?         ?        
1 1 1 32 30 4  o 79.27834 18.55657 72.04772   28.93255 72.04772   28.93255 ?          ?        79.27834 18.55657 ?        ?        ?         ?        
1 1 1 32 30 5  o 54.62165 20.58881 28.93255   30.63447 28.93255   30.63447 ?          ?        54.62165 20.58881 ?        ?        ?         ?        
1 1 1 32 30 6  o 108.7615 13.56172 125.9417   29.49986 125.9417   29.49986 ?          ?        108.7615 13.56172 ?        ?        ?         ?        
1 1 1 32 31 0  o 30.67004 21.02845 -16.45185  39.14404 -16.45185  39.14404 -16.45185  39.14404 30.67004 21.02845 30.67004 21.02845 -0.000000 0.000000 
1 1 1 32 31 1  o 88.51288 16.94813 86.79766   28.93255 86.79766   28.93255 ?          ?        88.51288 16.94813 ?        ?        ?         ?        
1 1 1 32 31 2  o 42.74574 18.74230 -1.134610  30.63447 -1.134610  30.63447 ?          ?        42.74574 18.74230 ?        ?        ?         ?        
1 1 1 32 31 3  o 41.88315 18.19950 1.134610   28.36525 1.134610   28.36525 ?          ?        41.88315 18.19950 ?        ?        ?         ?        
1 1 1 32 31 4  o 90.38647 14.74963 87.36497   26.66333 87.36497   26.66333 ?          ?        90.38647 14.74963 ?        ?        ?         ?        
1 1 1 32 31 5  o 40.76540 17.77355 0.5673050  27.23064 0.5673050  27.23064 ?          ?        40.76540 17.77355 ?        ?        ?         ?        
1 1 1 32 32 0  o 25.01574 18.04653 -53.32666  40.27865 -53.32666  40.27865 -53.32666  40.27865 25.01574 18.04653 25.01574 18.04653 -0.000000 0.000000 
1 1 1 32 32 1  o 57.72908 20.05018 35.74022   28.36525 35.74022   28.36525 ?          ?        57.72908 20.05018 ?        ?        ?         ?        
1 1 1 32 32 2  o 120.7262 14.56722 155.4416   35.17290 155.4416   35.17290 ?          ?        120.7262 14.56722 ?        ?        ?         ?        
1 1 1 32 32 3  o 50.90267 19.34518 23.82681   27.23064 23.82681   27.23064 ?          ?        50.90267 19.34518 ?        ?        ?         ?        
1 1 1 32 32 4  o 82.28369 19.27735 78.28809   31.20177 78.28809   31.20177 ?          ?        82.28369 19.27735 ?        ?        ?         ?        
1 1 1 32 32 5  o 39.89441 17.79061 -5.105744  28.93255 -5.105744  28.93255 ?          ?        39.89441 17.79061 ?        ?        ?         ?        
1 1 1 32 33 0  o 36.12706 24.09302 -2.836525  45.38440 -2.836525  45.38440 -2.836525  45.38440 36.12706 24.09302 36.12706 24.09302 -0.000000 0.000000 
1 1 1 32 33 1  o 56.03109 19.62733 33.47099   27.23064 33.47099   27.23064 ?          ?        56.03109 19.62733 ?        ?        ?         ?        
1 1 1 32 33 2  o 62.38279 20.06103 44.24979   28.36525 44.24979   28.36525 ?          ?        62.38279 20.06103 ?        ?        ?         ?        
1 1 1 32 33 3  o 42.15142 18.06328 3.971134   27.23064 3.971134   27.23064 ?          ?        42.15142 18.06328 ?        ?        ?         ?        
1 1 1 32 33 4  o 54.82932 19.94836 31.20177   28.36525 31.20177   28.36525 ?          ?        54.82932 19.94836 ?        ?        ?         ?        
1 1 1 32 33 5  o 34.25612 16.32613 -31.76908  30.63447 -31.76908  30.63447 ?          ?        34.25612 16.32613 ?        ?        ?         ?        
1 1 1 32 34 0  o 48.21604 27.83889 36.87482   42.54787 36.87482   42.54787 36.87482   42.54787 48.21604 27.83889 48.21604 27.83889 -0.000000 0.000000 
1 1 1 32 34 1  o 41.99855 18.40347 -0.5673050 29.49986 -0.5673050 29.49986 ?          ?        41.99855 18.40347 ?        ?        ?         ?        
1 1 1 32 34 2  o 51.04340 19.64575 23.25950   28.36525 23.25950   28.36525 ?          ?        51.04340 19.64575 ?        ?        ?         ?        
1 1 1 32 34 3  o 43.35788 18.50321 5.673049   28.36525 5.673049   28.36525 ?          ?        43.35788 18.50321 ?        ?        ?         ?        
1 1 1 32 34 4  o 49.90865 19.95196 19.85567   30.06716 19.85567   30.06716 ?          ?        49.90865 19.95196 ?        ?        ?         ?        
1 1 1 32 35 0  o 34.93907 23.26851 -2.269220  41.98057 -2.269220  41.98057 -2.269220  41.98057 34.93907 23.26851 34.93907 23.26851 -0.000000 0.000000 
1 1 1 32 35 1  o 110.5635 13.34068 129.3455   29.49986 129.3455   29.49986 ?          ?        110.5635 13.34068 ?        ?        ?         ?        
1 1 1 32 35 2  o 50.84292 19.62970 23.25950   28.36525 23.25950   28.36525 ?          ?        50.84292 19.62970 ?        ?        ?         ?        
1 1 1 32 35 3  o 81.06314 18.58300 76.01886   29.49986 76.01886   29.49986 ?          ?        81.06314 18.58300 ?        ?        ?         ?        
1 1 1 32 36 0  o 25.37721 18.35596 -59.56702  43.11518 -59.56702  43.11518 -59.56702  43.11518 25.37721 18.35596 25.37721 18.35596 -0.000000 0.000000 
1 1 1 32 36 1  o 48.66765 19.63482 17.58645   29.49986 17.58645   29.49986 ?          ?        48.66765 19.63482 ?        ?        ?         ?        
1 1 1 32 36 2  o 35.70277 16.75898 -24.96142  30.63447 -24.96142  30.63447 ?          ?        35.70277 16.75898 ?        ?        ?         ?        
1 1 1 32 37 0  o 49.24170 27.34575 40.27865   39.14404 40.27865   39.14404 40.27865   39.14404 49.24170 27.34575 49.24170 27.34575 -0.000000 0.000000 
1 1 1 32 37 1  o 69.10448 20.12675 56.16319   29.49986 56.16319   29.49986 ?          ?        69.10448 20.12675 ?        ?        ?         ?        
1 1 1 33 0  1  o 43.22695 29.63596 -30.63447  77.72078 -30.63447  77.72078 -30.63447  77.72078 43.22695 29.63596 43.22695 29.63596 -0.000000 0.000000 
1 1 1 33 0  2  o 148.3043 36.00722 272.8737   92.47070 272.8737   92.47070 272.8737   92.47070 148.3043 36.00722 148.3043 36.00722 -0.000000 0.000000 
1 1 1 33 0  3  o 31.48455 23.12133 -157.1435  81.12460 -157.1435  81.12460 -157.1435  81.12460 31.48455 23.12133 31.48455 23.12133 -0.000000 0.000000 
1 1 1 33 0  4  o 93.00153 41.86425 141.2589   82.82652 141.2589   82.82652 141.2589   82.82652 93.00153 41.86425 93.00153 41.86425 -0.000000 0.000000 
1 1 1 33 0  5  o 30.35889 22.23469 -127.6436  72.04772 -127.6436  72.04772 -127.6436  72.04772 30.35889 22.23469 30.35889 22.23469 -0.000000 0.000000 
1 1 1 33 0  6  o 88.28185 39.80647 131.0475   74.88425 131.0475   74.88425 131.0475   74.88425 88.28185 39.80647 88.28185 39.80647 -0.000000 0.000000 
1 1 1 33 0  7  o 44.88604 29.15964 11.34610   60.70163 11.34610   60.70163 11.34610   60.70163 44.88604 29.15964 44.88604 29.15964 -0.000000 0.000000 
1 1 1 33 0  8  o 75.39022 37.93450 102.1149   69.77851 102.1149   69.77851 102.1149   69.77851 75.39022 37.93450 75.39022 37.93450 -0.000000 0.000000 
1 1 1 33 0  9  o 69.60778 35.43188 86.79766   61.26894 86.79766   61.26894 86.79766   61.26894 69.60778 35.43188 69.60778 35.43188 -0.000000 0.000000 
1 1 1 33 1  0  o 111.9763 37.35305 172.4607   74.31695 172.4607   74.31695 172.4607   74.31695 111.9763 37.35305 111.9763 37.35305 -0.000000 0.000000 
1 1 1 33 1  1  o 61.40112 26.89693 0.5673050  62.97085 0.5673050  62.97085 ?          ?        61.40112 26.89693 ?        ?        ?         ?        
1 1 1 33 1  2  o 68.98536 28.11823 32.33638   61.26894 32.33638   61.26894 ?          ?        68.98536 28.11823 ?        ?        ?         ?        
1 1 1 33 1  3  o 40.20094 19.79919 -110.0572  56.73050 -110.0572  56.73050 ?          ?        40.20094 19.79919 ?        ?        ?         ?        
1 1 1 33 1  4  o 55.59690 24.48503 -2.836525  52.75936 -2.836525  52.75936 ?          ?        55.59690 24.48503 ?        ?        ?         ?        
1 1 1 33 1  5  o 45.55444 21.44885 -43.68248  51.05745 -43.68248  51.05745 ?          ?        45.55444 21.44885 ?        ?        ?         ?        
1 1 1 33 1  6  o 55.09407 24.29832 1.134610   52.19205 1.134610   52.19205 ?          ?        55.09407 24.29832 ?        ?        ?         ?        
1 1 1 33 1  7  f 60.92379 25.26903 24.96142   50.49014 24.96142   50.49014 ?          ?        60.92379 25.26903 ?        ?        ?         ?        
1 1 1 33 1  8  o 108.4574 25.06744 143.5282   53.32666 143.5282   53.32666 ?          ?        108.4574 25.06744 ?        ?        ?         ?        
1 1 1 33 1  9  o 42.95401 20.53106 -47.65361  49.35553 -47.65361  49.35553 ?          ?        42.95401 20.53106 ?        ?        ?         ?        
1 1 1 33 2  0  o 108.6072 47.37918 192.3164   106.0860 192.3164   106.0860 192.3164   106.0860 108.6072 47.37918 108.6072 47.37918 -0.000000 0.000000 
1 1 1 33 2  1  o 107.7701 29.81029 137.8551   66.37468 137.8551   66.37468 ?          ?        107.7701 29.81029 ?        ?        ?         ?        
1 1 1 33 2  2  o 119.5131 25.44211 162.8165   58.99971 162.8165   58.99971 ?          ?        119.5131 25.44211 ?        ?        ?         ?        
1 1 1 33 2  3  o 73.21640 28.72912 46.51900   61.26894 46.51900   61.26894 ?          ?        73.21640 28.72912 ?        ?        ?         ?        
1 1 1 33 2  4  o 49.60265 23.13320 -39.14404  56.16319 -39.14404  56.16319 ?          ?        49.60265 23.13320 ?        ?        ?         ?        
1 1 1 33 2  5  o 94.54645 35.21133 112.3264   89.06688 112.3264   89.06688 ?          ?        94.54645 35.21133 ?        ?        ?         ?        
1 1 1 33 2  6  o 42.17104 20.13214 -48.78823  47.08631 -48.78823  47.08631 ?          ?        42.17104 20.13214 ?        ?        ?         ?        
1 1 1 33 2  7  o 66.56046 26.29177 41.41326   51.62476 41.41326   51.62476 ?          ?        66.56046 26.29177 ?        ?        ?         ?        
1 1 1 33 2  8  o 64.42520 25.20464 40.84595   47.08631 40.84595   47.08631 ?          ?        64.42520 25.20464 ?        ?        ?         ?        
1 1 1 33 2  9  o 78.19431 23.90469 74.88425   40.84595 74.88425   40.84595 ?          ?        78.19431 23.90469 ?        ?        ?         ?        
1 1 1 33 3  0  o 154.3656 39.60823 303.5081   105.5187 303.5081   105.5187 303.5081   105.5187 154.3656 39.60823 154.3656 39.60823 -0.000000 0.000000 
1 1 1 33 3  1  o 64.55883 26.08756 28.36525   52.19205 28.36525   52.19205 ?          ?        64.55883 26.08756 ?        ?        ?         ?        
1 1 1 33 3  2  o 74.12726 26.91747 55.59589   51.62476 55.59589   51.62476 ?          ?        74.12726 26.91747 ?        ?        ?         ?        
1 1 1 33 3  3  f 43.60089 21.33687 -106.0860  62.40355 -106.0860  62.40355 ?          ?        43.60089 21.33687 ?        ?        ?         ?        
1 1 1 33 3  4  o 54.44716 23.96582 -2.836525  50.49014 -2.836525  50.49014 ?          ?        54.44716 23.96582 ?        ?        ?         ?        
1 1 1 33 3  5  o 93.33222 35.51914 107.7879   91.90340 107.7879   91.90340 ?          ?        93.33222 35.51914 ?        ?        ?         ?        
1 1 1 33 3  6  o 60.60071 24.57090 28.36525   46.51900 28.36525   46.51900 ?          ?        60.60071 24.57090 ?        ?        ?         ?        
1 1 1 33 3  7  o 44.40366 20.78583 -32.33638  45.95170 -32.33638  45.95170 ?          ?        44.40366 20.78583 ?        ?        ?         ?        
1 1 1 33 3  8  f 87.85783 24.76602 94.73994   45.38440 94.73994   45.38440 ?          ?        87.85783 24.76602 ?        ?        ?         ?        
1 1 1 33 3  9  o 51.42578 22.08311 10.21149   40.84595 10.21149   40.84595 ?          ?        51.42578 22.08311 ?        ?        ?         ?        
1 1 1 33 4  0  o 146.1381 41.49571 281.9506   104.9514 281.9506   104.9514 281.9506   104.9514 146.1381 41.49571 146.1381 41.49571 -0.000000 0.000000 
1 1 1 33 4  1  o 52.96791 23.86721 -16.45185  53.32666 -16.45185  53.32666 ?          ?        52.96791 23.86721 ?        ?        ?         ?        
1 1 1 33 4  2  o 72.05956 27.66642 47.08631   56.16319 47.08631   56.16319 ?          ?        72.05956 27.66642 ?        ?        ?         ?        
1 1 1 33 4  3  o 67.85891 30.69647 -17.01915  89.06688 -17.01915  89.06688 ?          ?        67.85891 30.69647 ?        ?        ?         ?        
1 1 1 33 4  4  o 46.13882 21.74720 -48.22092  52.75936 -48.22092  52.75936 ?          ?        46.13882 21.74720 ?        ?        ?         ?        
1 1 1 33 4  5  o 77.94394 28.09809 68.07660   56.16319 68.07660   56.16319 ?          ?        77.94394 28.09809 ?        ?        ?         ?        
1 1 1 33 4  6  o 113.4971 21.03337 146.9320   45.95170 146.9320   45.95170 ?          ?        113.4971 21.03337 ?        ?        ?         ?        
1 1 1 33 4  7  o 75.82219 25.55599 67.50929   45.95170 67.50929   45.95170 ?          ?        75.82219 25.55599 ?        ?        ?         ?        
1 1 1 33 4  8  o 114.6393 17.81499 144.0954   40.84595 144.0954   40.84595 ?          ?        114.6393 17.81499 ?        ?        ?         ?        
1 1 1 33 4  9  o 47.21930 20.96207 -2.269220  39.71135 -2.269220  39.71135 ?          ?        47.21930 20.96207 ?        ?        ?         ?        
1 1 1 33 5  0  o 33.61627 24.67271 -171.8934  91.33610 -171.8934  91.33610 -171.8934  91.33610 33.61627 24.67271 33.61627 24.67271 -0.000000 0.000000 
1 1 1 33 5  1  o 109.9752 29.72585 143.5282   66.94199 143.5282   66.94199 ?          ?        109.9752 29.72585 ?        ?        ?         ?        
1 1 1 33 5  2  o 63.83577 28.07906 0.000000   69.21120 0.000000   69.21120 ?          ?        63.83577 28.07906 ?        ?        ?         ?        
1 1 1 33 5  3  o 99.08167 35.61964 116.2975   90.20149 116.2975   90.20149 ?          ?        99.08167 35.61964 ?        ?        ?         ?        
1 1 1 33 5  4  o 110.5581 25.40504 141.8262   55.02858 141.8262   55.02858 ?          ?        110.5581 25.40504 ?        ?        ?         ?        
1 1 1 33 5  5  o 77.20850 27.02671 67.50929   51.62476 67.50929   51.62476 ?          ?        77.20850 27.02671 ?        ?        ?         ?        
1 1 1 33 5  6  o 81.51046 25.63189 79.99000   46.51900 79.99000   46.51900 ?          ?        81.51046 25.63189 ?        ?        ?         ?        
1 1 1 33 5  7  o 72.81215 26.19428 60.13433   48.78823 60.13433   48.78823 ?          ?        72.81215 26.19428 ?        ?        ?         ?        
1 1 1 33 5  8  o 68.94141 24.49550 54.46128   42.54787 54.46128   42.54787 ?          ?        68.94141 24.49550 ?        ?        ?         ?        
1 1 1 33 5  9  o 34.35078 16.50129 -39.71135  32.90369 -39.71135  32.90369 ?          ?        34.35078 16.50129 ?        ?        ?         ?        
1 1 1 33 6  0  o 151.2197 36.83871 284.7871   96.44185 284.7871   96.44185 284.7871   96.44185 151.2197 36.83871 151.2197 36.83871 -0.000000 0.000000 
1 1 1 33 6  1  o 54.14433 25.33548 -48.78823  68.07660 -48.78823  68.07660 ?          ?        54.14433 25.33548 ?        ?        ?         ?        
1 1 1 33 6  2  o 53.46531 24.58844 -32.33638  60.70163 -32.33638  60.70163 ?          ?        53.46531 24.58844 ?        ?        ?         ?        
1 1 1 33 6  3  o 104.6898 29.06333 129.9128   62.97085 129.9128   62.97085 ?          ?        104.6898 29.06333 ?        ?        ?         ?        
1 1 1 33 6  4  o 76.85091 27.41149 64.10546   53.32666 64.10546   53.32666 ?          ?        76.85091 27.41149 ?        ?        ?         ?        
1 1 1 33 6  5  o 62.13012 25.88155 23.25950   53.32666 23.25950   53.32666 ?          ?        62.13012 25.88155 ?        ?        ?         ?        
1 1 1 33 6  6  o 101.3141 23.88024 121.9706   47.65361 121.9706   47.65361 ?          ?        101.3141 23.88024 ?        ?        ?         ?        
1 1 1 33 6  7  o 111.3926 25.49411 150.3358   55.59589 150.3358   55.59589 ?          ?        111.3926 25.49411 ?        ?        ?         ?        
1 1 1 33 6  8  o 85.17407 21.33837 85.66305   36.30752 85.66305   36.30752 ?          ?        85.17407 21.33837 ?        ?        ?         ?        
1 1 1 33 6  9  o 86.63287 21.38379 89.63419   36.87482 89.63419   36.87482 ?          ?        86.63287 21.38379 ?        ?        ?         ?        
1 1 1 33 7  0  o 55.69412 34.08893 38.57674   70.91312 38.57674   70.91312 38.57674   70.91312 55.69412 34.08893 55.69412 34.08893 -0.000000 0.000000 
1 1 1 33 7  1  o 56.65534 26.29654 -43.11518  71.48043 -43.11518  71.48043 ?          ?        56.65534 26.29654 ?        ?        ?         ?        
1 1 1 33 7  2  o 67.98274 26.20128 40.27865   50.49014 40.27865   50.49014 ?          ?        67.98274 26.20128 ?        ?        ?         ?        
1 1 1 33 7  3  o 62.94463 26.69891 15.31723   58.43241 15.31723   58.43241 ?          ?        62.94463 26.69891 ?        ?        ?         ?        
1 1 1 33 7  4  o 134.5437 20.66091 196.8548   55.59589 196.8548   55.59589 ?          ?        134.5437 20.66091 ?        ?        ?         ?        
1 1 1 33 7  5  o 57.91200 25.44778 2.269220   56.73050 2.269220   56.73050 ?          ?        57.91200 25.44778 ?        ?        ?         ?        
1 1 1 33 7  6  o 74.72648 25.98469 64.67276   47.65361 64.67276   47.65361 ?          ?        74.72648 25.98469 ?        ?        ?         ?        
1 1 1 33 7  7  f 97.09371 22.35806 110.6245   42.54787 110.6245   42.54787 ?          ?        97.09371 22.35806 ?        ?        ?         ?        
1 1 1 33 7  8  o 55.34348 22.20639 24.96142   37.44213 24.96142   37.44213 ?          ?        55.34348 22.20639 ?        ?        ?         ?        
1 1 1 33 7  9  o 43.32571 19.46009 -6.807660  35.17290 -6.807660  35.17290 ?          ?        43.32571 19.46009 ?        ?        ?         ?        
1 1 1 33 8  0  o 135.3451 38.95079 240.5373   91.33610 240.5373   91.33610 240.5373   91.33610 135.3451 38.95079 135.3451 38.95079 -0.000000 0.000000 
1 1 1 33 8  1  o 64.22680 25.29497 32.33638   47.65361 32.33638   47.65361 ?          ?        64.22680 25.29497 ?        ?        ?         ?        
1 1 1 33 8  2  o 55.50776 23.53643 9.076880   45.38440 9.076880   45.38440 ?          ?        55.50776 23.53643 ?        ?        ?         ?        
1 1 1 33 8  3  o 55.14531 24.45799 -7.374964  53.89397 -7.374964  53.89397 ?          ?        55.14531 24.45799 ?        ?        ?         ?        
1 1 1 33 8  4  o 111.6500 22.63814 141.8262   48.78823 141.8262   48.78823 ?          ?        111.6500 22.63814 ?        ?        ?         ?        
1 1 1 33 8  5  o 47.61096 21.70004 -19.28837  45.95170 -19.28837  45.95170 ?          ?        47.61096 21.70004 ?        ?        ?         ?        
1 1 1 33 8  6  o 46.90519 21.35582 -16.45185  44.24979 -16.45185  44.24979 ?          ?        46.90519 21.35582 ?        ?        ?         ?        
1 1 1 33 8  7  o 31.91747 15.84392 -83.39383  38.57674 -83.39383  38.57674 ?          ?        31.91747 15.84392 ?        ?        ?         ?        
1 1 1 33 8  8  o 43.28436 20.26263 -28.93255  43.68248 -28.93255  43.68248 ?          ?        43.28436 20.26263 ?        ?        ?         ?        
1 1 1 33 8  9  o 113.7211 15.46454 140.1243   35.17290 140.1243   35.17290 ?          ?        113.7211 15.46454 ?        ?        ?         ?        
1 1 1 33 9  0  o 42.28470 28.01686 -2.836525  59.56702 -2.836525  59.56702 -2.836525  59.56702 42.28470 28.01686 42.28470 28.01686 -0.000000 0.000000 
1 1 1 33 9  1  o 96.47424 25.27656 106.6533   49.35553 106.6533   49.35553 ?          ?        96.47424 25.27656 ?        ?        ?         ?        
1 1 1 33 9  2  o 51.92306 22.64741 -1.134610  44.24979 -1.134610  44.24979 ?          ?        51.92306 22.64741 ?        ?        ?         ?        
1 1 1 33 9  3  o 145.4649 15.79478 221.2489   45.95170 221.2489   45.95170 ?          ?        145.4649 15.79478 ?        ?        ?         ?        
1 1 1 33 9  4  o 117.2942 21.85372 155.4416   49.35553 155.4416   49.35553 ?          ?        117.2942 21.85372 ?        ?        ?         ?        
1 1 1 33 9  5  o 67.33308 24.14232 47.65361   41.41326 47.65361   41.41326 ?          ?        67.33308 24.14232 ?        ?        ?         ?        
1 1 1 33 9  6  o 46.33321 20.60571 -6.240355  38.57674 -6.240355  38.57674 ?          ?        46.33321 20.60571 ?        ?        ?         ?        
1 1 1 33 9  7  o 35.98816 17.53972 -63.53815  40.84595 -63.53815  40.84595 ?          ?        35.98816 17.53972 ?        ?        ?         ?        
1 1 1 33 9  8  o 50.87672 21.96929 7.942269   40.84595 7.942269   40.84595 ?          ?        50.87672 21.96929 ?        ?        ?         ?        
1 1 1 33 9  9  o 78.74396 24.06960 77.15348   41.41326 77.15348   41.41326 ?          ?        78.74396 24.06960 ?        ?        ?         ?        
1 1 1 33 10 0  o 62.80670 34.24080 63.53815   60.13433 63.53815   60.13433 63.53815   60.13433 62.80670 34.24080 62.80670 34.24080 -0.000000 0.000000 
1 1 1 33 10 1  o 65.38988 25.74598 34.03830   49.35553 34.03830   49.35553 ?          ?        65.38988 25.74598 ?        ?        ?         ?        
1 1 1 33 10 2  o 80.16221 25.50894 72.04772   45.95170 72.04772   45.95170 ?          ?        80.16221 25.50894 ?        ?        ?         ?        
1 1 1 33 10 3  o 56.49368 23.80499 12.48071   45.95170 12.48071   45.95170 ?          ?        56.49368 23.80499 ?        ?        ?         ?        
1 1 1 33 10 4  o 66.48289 26.90016 35.17290   55.59589 35.17290   55.59589 ?          ?        66.48289 26.90016 ?        ?        ?         ?        
1 1 1 33 10 5  o 37.58472 18.24084 -64.10546  43.11518 -64.10546  43.11518 ?          ?        37.58472 18.24084 ?        ?        ?         ?        
1 1 1 33 10 6  o 64.85492 23.60250 43.68248   39.71135 43.68248   39.71135 ?          ?        64.85492 23.60250 ?        ?        ?         ?        
1 1 1 33 10 7  o 98.20789 23.40542 114.5956   45.38440 114.5956   45.38440 ?          ?        98.20789 23.40542 ?        ?        ?         ?        
1 1 1 33 10 8  o 73.64284 22.33053 64.67276   35.74022 64.67276   35.74022 ?          ?        73.64284 22.33053 ?        ?        ?         ?        
1 1 1 33 10 9  o 35.47189 17.16256 -49.92284  37.44213 -49.92284  37.44213 ?          ?        35.47189 17.16256 ?        ?        ?         ?        
1 1 1 33 11 0  o 51.51849 34.05743 2.836525   87.36497 2.836525   87.36497 2.836525   87.36497 51.51849 34.05743 51.51849 34.05743 -0.000000 0.000000 
1 1 1 33 11 1  o 38.33122 18.81893 -90.20149  49.35553 -90.20149  49.35553 ?          ?        38.33122 18.81893 ?        ?        ?         ?        
1 1 1 33 11 2  o 40.71930 19.10783 -35.74022  39.71135 -35.74022  39.71135 ?          ?        40.71930 19.10783 ?        ?        ?         ?        
1 1 1 33 11 3  o 39.27461 18.87205 -55.02858  43.11518 -55.02858  43.11518 ?          ?        39.27461 18.87205 ?        ?        ?         ?        
1 1 1 33 11 4  o 57.64796 24.26421 15.88454   47.65361 15.88454   47.65361 ?          ?        57.64796 24.26421 ?        ?        ?         ?        
1 1 1 33 11 5  o 70.79779 24.26114 56.16319   41.41326 56.16319   41.41326 ?          ?        70.79779 24.26114 ?        ?        ?         ?        
1 1 1 33 11 6  o 60.86306 23.05614 35.17290   38.57674 35.17290   38.57674 ?          ?        60.86306 23.05614 ?        ?        ?         ?        
1 1 1 33 11 7  o 66.71001 23.82021 48.78823   40.27865 48.78823   40.27865 ?          ?        66.71001 23.82021 ?        ?        ?         ?        
1 1 1 33 11 8  o 47.23106 20.90911 -1.701915  39.14404 -1.701915  39.14404 ?          ?        47.23106 20.90911 ?        ?        ?         ?        
1 1 1 33 11 9  o 75.37444 21.98473 68.64390   35.17290 68.64390   35.17290 ?          ?        75.37444 21.98473 ?        ?        ?         ?        
1 1 1 33 12 0  o 36.50700 26.31061 -106.0860  84.52843 -106.0860  84.52843 -106.0860  84.52843 36.50700 26.31061 36.50700 26.31061 -0.000000 0.000000 
1 1 1 33 12 1  o 71.72594 26.15553 51.62476   48.78823 51.62476   48.78823 ?          ?        71.72594 26.15553 ?        ?        ?         ?        
1 1 1 33 12 2  o 105.9574 21.62940 125.3744   44.24979 125.3744   44.24979 ?          ?        105.9574 21.62940 ?        ?        ?         ?        
1 1 1 33 12 3  o 78.22480 25.39738 69.77851   45.38440 69.77851   45.38440 ?          ?        78.22480 25.39738 ?        ?        ?         ?        
1 1 1 33 12 4  o 102.0775 20.72894 117.4321   40.84595 117.4321   40.84595 ?          ?        102.0775 20.72894 ?        ?        ?         ?        
1 1 1 33 12 5  o 80.23709 22.67972 75.45156   38.00943 75.45156   38.00943 ?          ?        80.23709 22.67972 ?        ?        ?         ?        
1 1 1 33 12 6  o 77.71426 25.71324 70.91312   46.51900 70.91312   46.51900 ?          ?        77.71426 25.71324 ?        ?        ?         ?        
1 1 1 33 12 7  o 45.73563 20.46507 -7.374964  38.57674 -7.374964  38.57674 ?          ?        45.73563 20.46507 ?        ?        ?         ?        
1 1 1 33 12 8  o 56.17380 23.32801 21.55759   43.11518 21.55759   43.11518 ?          ?        56.17380 23.32801 ?        ?        ?         ?        
1 1 1 33 12 9  o 67.57659 23.06865 53.89397   37.44213 53.89397   37.44213 ?          ?        67.57659 23.06865 ?        ?        ?         ?        
1 1 1 33 13 0  o 59.30476 37.94399 32.33638   97.57646 32.33638   97.57646 32.33638   97.57646 59.30476 37.94399 59.30476 37.94399 -0.000000 0.000000 
1 1 1 33 13 1  o 83.54608 33.75536 62.97085   87.36497 62.97085   87.36497 ?          ?        83.54608 33.75536 ?        ?        ?         ?        
1 1 1 33 13 2  o 59.79994 25.21653 15.31723   51.62476 15.31723   51.62476 ?          ?        59.79994 25.21653 ?        ?        ?         ?        
1 1 1 33 13 3  o 42.85453 20.46660 -52.75936  48.78823 -52.75936  48.78823 ?          ?        42.85453 20.46660 ?        ?        ?         ?        
1 1 1 33 13 4  f 84.09988 23.64192 82.25922   41.41326 82.25922   41.41326 ?          ?        84.09988 23.64192 ?        ?        ?         ?        
1 1 1 33 13 5  o 49.93988 21.36892 7.374964   38.00943 7.374964   38.00943 ?          ?        49.93988 21.36892 ?        ?        ?         ?        
1 1 1 33 13 6  o 37.54713 18.63710 -110.6245  53.32666 -110.6245  53.32666 ?          ?        37.54713 18.63710 ?        ?        ?         ?        
1 1 1 33 13 7  o 88.16364 22.70950 92.47070   40.27865 92.47070   40.27865 ?          ?        88.16364 22.70950 ?        ?        ?         ?        
1 1 1 33 13 8  o 59.72660 23.32275 34.03830   40.27865 34.03830   40.27865 ?          ?        59.72660 23.32275 ?        ?        ?         ?        
1 1 1 33 14 0  o 61.66079 38.99152 41.98057   100.4130 41.98057   100.4130 41.98057   100.4130 61.66079 38.99152 61.66079 38.99152 -0.000000 0.000000 
1 1 1 33 14 1  o 137.8322 27.72810 222.3835   73.74965 222.3835   73.74965 ?          ?        137.8322 27.72810 ?        ?        ?         ?        
1 1 1 33 14 2  o 76.89837 24.73329 66.94199   43.11518 66.94199   43.11518 ?          ?        76.89837 24.73329 ?        ?        ?         ?        
1 1 1 33 14 3  o 74.48534 26.11604 61.83624   48.22092 61.83624   48.22092 ?          ?        74.48534 26.11604 ?        ?        ?         ?        
1 1 1 33 14 4  o 68.35729 23.87802 50.49014   40.27865 50.49014   40.27865 ?          ?        68.35729 23.87802 ?        ?        ?         ?        
1 1 1 33 14 5  o 137.3589 17.75940 204.2298   48.78823 204.2298   48.78823 ?          ?        137.3589 17.75940 ?        ?        ?         ?        
1 1 1 33 14 6  o 55.58781 24.96416 -5.673049  57.86510 -5.673049  57.86510 ?          ?        55.58781 24.96416 ?        ?        ?         ?        
1 1 1 33 14 7  o 52.21927 21.41171 18.15376   35.74022 18.15376   35.74022 ?          ?        52.21927 21.41171 ?        ?        ?         ?        
1 1 1 33 14 8  o 95.49782 22.60032 109.4899   42.54787 109.4899   42.54787 ?          ?        95.49782 22.60032 ?        ?        ?         ?        
1 1 1 33 15 0  o 54.53260 36.10711 7.374964   98.71106 7.374964   98.71106 7.374964   98.71106 54.53260 36.10711 54.53260 36.10711 -0.000000 0.000000 
1 1 1 33 15 1  o 92.30536 22.33505 97.00916   40.84595 97.00916   40.84595 ?          ?        92.30536 22.33505 ?        ?        ?         ?        
1 1 1 33 15 2  o 83.08453 25.15769 80.55730   45.38440 80.55730   45.38440 ?          ?        83.08453 25.15769 ?        ?        ?         ?        
1 1 1 33 15 3  o 73.11392 24.42674 60.13433   41.98057 60.13433   41.98057 ?          ?        73.11392 24.42674 ?        ?        ?         ?        
1 1 1 33 15 4  o 63.62045 24.77455 36.87482   45.38440 36.87482   45.38440 ?          ?        63.62045 24.77455 ?        ?        ?         ?        
1 1 1 33 15 5  o 41.12967 19.38992 -38.00943  41.98057 -38.00943  41.98057 ?          ?        41.12967 19.38992 ?        ?        ?         ?        
1 1 1 33 15 6  o 78.66434 28.50453 73.74965   57.86510 73.74965   57.86510 ?          ?        78.66434 28.50453 ?        ?        ?         ?        
1 1 1 33 15 7  o 50.24534 21.51462 9.076880   38.57674 9.076880   38.57674 ?          ?        50.24534 21.51462 ?        ?        ?         ?        
1 1 1 33 15 8  o 101.4709 19.14947 117.9994   37.44213 117.9994   37.44213 ?          ?        101.4709 19.14947 ?        ?        ?         ?        
1 1 1 33 16 0  o 38.99363 26.03261 -6.240355  53.32666 -6.240355  53.32666 -6.240355  53.32666 38.99363 26.03261 38.99363 26.03261 -0.000000 0.000000 
1 1 1 33 16 1  o 75.11449 23.07948 64.10546   38.00943 64.10546   38.00943 ?          ?        75.11449 23.07948 ?        ?        ?         ?        
1 1 1 33 16 2  o 88.14822 24.53428 91.33610   44.81709 91.33610   44.81709 ?          ?        88.14822 24.53428 ?        ?        ?         ?        
1 1 1 33 16 3  o 93.46489 20.58522 98.71106   37.44213 98.71106   37.44213 ?          ?        93.46489 20.58522 ?        ?        ?         ?        
1 1 1 33 16 4  f 59.03515 23.86183 26.66333   43.68248 26.66333   43.68248 ?          ?        59.03515 23.86183 ?        ?        ?         ?        
1 1 1 33 16 5  o 48.34763 21.26779 -1.701915  39.71135 -1.701915  39.71135 ?          ?        48.34763 21.26779 ?        ?        ?         ?        
1 1 1 33 16 6  o 38.71818 18.95401 -80.55730  49.35553 -80.55730  49.35553 ?          ?        38.71818 18.95401 ?        ?        ?         ?        
1 1 1 33 16 7  o 75.58594 24.04978 69.21120   40.84595 69.21120   40.84595 ?          ?        75.58594 24.04978 ?        ?        ?         ?        
1 1 1 33 16 8  o 39.66439 18.53759 -24.39412  36.30752 -24.39412  36.30752 ?          ?        39.66439 18.53759 ?        ?        ?         ?        
1 1 1 33 17 0  o 65.37025 32.96808 70.91312   52.75936 70.91312   52.75936 70.91312   52.75936 65.37025 32.96808 65.37025 32.96808 -0.000000 0.000000 
1 1 1 33 17 1  o 39.38720 18.40189 -27.79794  35.74022 -27.79794  35.74022 ?          ?        39.38720 18.40189 ?        ?        ?         ?        
1 1 1 33 17 2  o 90.76030 25.31102 97.57646   47.65361 97.57646   47.65361 ?          ?        90.76030 25.31102 ?        ?        ?         ?        
1 1 1 33 17 3  o 55.08212 23.12710 14.18262   43.11518 14.18262   43.11518 ?          ?        55.08212 23.12710 ?        ?        ?         ?        
1 1 1 33 17 4  o 76.74506 27.40771 68.64390   53.32666 68.64390   53.32666 ?          ?        76.74506 27.40771 ?        ?        ?         ?        
1 1 1 33 17 5  o 46.94732 20.83028 -5.105744  39.14404 -5.105744  39.14404 ?          ?        46.94732 20.83028 ?        ?        ?         ?        
1 1 1 33 17 6  o 55.47709 22.73620 20.99029   40.27865 20.99029   40.27865 ?          ?        55.47709 22.73620 ?        ?        ?         ?        
1 1 1 33 17 7  o 55.48569 22.23009 25.52872   37.44213 25.52872   37.44213 ?          ?        55.48569 22.23009 ?        ?        ?         ?        
1 1 1 33 17 8  o 53.09898 21.53381 22.12490   35.74022 22.12490   35.74022 ?          ?        53.09898 21.53381 ?        ?        ?         ?        
1 1 1 33 18 0  o 66.51230 32.46156 72.61504   50.49014 72.61504   50.49014 72.61504   50.49014 66.51230 32.46156 66.51230 32.46156 -0.000000 0.000000 
1 1 1 33 18 1  o 45.58558 20.03441 -2.836525  35.17290 -2.836525  35.17290 ?          ?        45.58558 20.03441 ?        ?        ?         ?        
1 1 1 33 18 2  o 71.18099 23.24275 56.73050   38.00943 56.73050   38.00943 ?          ?        71.18099 23.24275 ?        ?        ?         ?        
1 1 1 33 18 3  o 50.84523 22.45843 -2.269220  44.81709 -2.269220  44.81709 ?          ?        50.84523 22.45843 ?        ?        ?         ?        
1 1 1 33 18 4  o 60.95008 22.37070 37.44213   35.74022 37.44213   35.74022 ?          ?        60.95008 22.37070 ?        ?        ?         ?        
1 1 1 33 18 5  o 99.97929 20.28293 114.0283   39.14404 114.0283   39.14404 ?          ?        99.97929 20.28293 ?        ?        ?         ?        
1 1 1 33 18 6  o 41.11453 19.22805 -27.79794  39.14404 -27.79794  39.14404 ?          ?        41.11453 19.22805 ?        ?        ?         ?        
1 1 1 33 18 7  o 56.12291 22.53153 26.09603   38.57674 26.09603   38.57674 ?          ?        56.12291 22.53153 ?        ?        ?         ?        
1 1 1 33 18 8  o 40.15497 18.27539 -11.91340  32.33638 -11.91340  32.33638 ?          ?        40.15497 18.27539 ?        ?        ?         ?        
1 1 1 33 19 0  o 39.75930 26.19024 1.134610   51.05745 1.134610   51.05745 1.134610   51.05745 39.75930 26.19024 39.75930 26.19024 -0.000000 0.000000 
1 1 1 33 19 1  o 94.19896 20.15823 99.84568   36.87482 99.84568   36.87482 ?          ?        94.19896 20.15823 ?        ?        ?         ?        
1 1 1 33 19 2  o 78.21707 23.50266 70.91312   39.71135 70.91312   39.71135 ?          ?        78.21707 23.50266 ?        ?        ?         ?        
1 1 1 33 19 3  o 42.80487 19.39971 -12.48071  35.74022 -12.48071  35.74022 ?          ?        42.80487 19.39971 ?        ?        ?         ?        
1 1 1 33 19 4  o 62.15088 20.67224 41.98057   30.06716 41.98057   30.06716 ?          ?        62.15088 20.67224 ?        ?        ?         ?        
1 1 1 33 19 5  o 102.1582 26.02194 128.2109   53.32666 128.2109   53.32666 ?          ?        102.1582 26.02194 ?        ?        ?         ?        
1 1 1 33 19 6  o 45.40541 20.66950 -14.18262  41.41326 -14.18262  41.41326 ?          ?        45.40541 20.66950 ?        ?        ?         ?        
1 1 1 33 19 7  o 58.07409 22.01082 33.47099   35.17290 33.47099   35.17290 ?          ?        58.07409 22.01082 ?        ?        ?         ?        
1 1 1 33 19 8  o 45.57437 20.21976 -2.269220  36.87482 -2.269220  36.87482 ?          ?        45.57437 20.21976 ?        ?        ?         ?        
1 1 1 33 20 0  o 78.16959 32.94279 94.17262   51.62476 94.17262   51.62476 94.17262   51.62476 78.16959 32.94279 78.16959 32.94279 -0.000000 0.000000 
1 1 1 33 20 1  o 62.68737 22.27179 40.84595   35.17290 40.84595   35.17290 ?          ?        62.68737 22.27179 ?        ?        ?         ?        
1 1 1 33 20 2  f 65.77161 24.08659 45.38440   41.41326 45.38440   41.41326 ?          ?        65.77161 24.08659 ?        ?        ?         ?        
1 1 1 33 20 3  o 44.45692 19.87447 -7.942269  36.30752 -7.942269  36.30752 ?          ?        44.45692 19.87447 ?        ?        ?         ?        
1 1 1 33 20 4  o 49.76254 20.89089 10.77879   35.17290 10.77879   35.17290 ?          ?        49.76254 20.89089 ?        ?        ?         ?        
1 1 1 33 20 5  o 74.22804 24.26116 64.67276   41.41326 64.67276   41.41326 ?          ?        74.22804 24.26116 ?        ?        ?         ?        
1 1 1 33 20 6  o 43.98524 20.14486 -17.01915  40.27865 -17.01915  40.27865 ?          ?        43.98524 20.14486 ?        ?        ?         ?        
1 1 1 33 20 7  o 46.15254 20.23997 1.134610   35.74022 1.134610   35.74022 ?          ?        46.15254 20.23997 ?        ?        ?         ?        
1 1 1 33 21 0  o 92.32067 32.05356 120.2687   53.32666 120.2687   53.32666 120.2687   53.32666 92.32067 32.05356 92.32067 32.05356 -0.000000 0.000000 
1 1 1 33 21 1  o 69.21790 22.34701 54.46128   35.17290 54.46128   35.17290 ?          ?        69.21790 22.34701 ?        ?        ?         ?        
1 1 1 33 21 2  o 42.81130 19.40132 -12.48071  35.74022 -12.48071  35.74022 ?          ?        42.81130 19.40132 ?        ?        ?         ?        
1 1 1 33 21 3  o 44.36832 19.26967 0.5673050  31.76908 0.5673050  31.76908 ?          ?        44.36832 19.26967 ?        ?        ?         ?        
1 1 1 33 21 4  o 49.17015 20.95726 7.942269   36.30752 7.942269   36.30752 ?          ?        49.17015 20.95726 ?        ?        ?         ?        
1 1 1 33 21 5  o 69.48692 22.53572 55.59589   35.74022 55.59589   35.74022 ?          ?        69.48692 22.53572 ?        ?        ?         ?        
1 1 1 33 21 6  o 91.77757 20.31974 98.14376   36.30752 98.14376   36.30752 ?          ?        91.77757 20.31974 ?        ?        ?         ?        
1 1 1 33 21 7  o 73.26655 23.37833 65.24007   38.57674 65.24007   38.57674 ?          ?        73.26655 23.37833 ?        ?        ?         ?        
1 1 1 33 22 0  o 40.45498 26.34654 6.807660   49.92284 6.807660   49.92284 6.807660   49.92284 40.45498 26.34654 40.45498 26.34654 -0.000000 0.000000 
1 1 1 33 22 1  o 49.06754 20.75851 9.076880   35.17290 9.076880   35.17290 ?          ?        49.06754 20.75851 ?        ?        ?         ?        
1 1 1 33 22 2  o 63.75719 20.86638 44.81709   30.63447 44.81709   30.63447 ?          ?        63.75719 20.86638 ?        ?        ?         ?        
1 1 1 33 22 3  o 132.5173 13.05701 183.2395   34.60560 183.2395   34.60560 ?          ?        132.5173 13.05701 ?        ?        ?         ?        
1 1 1 33 22 4  o 53.33842 21.26024 22.12490   34.03830 22.12490   34.03830 ?          ?        53.33842 21.26024 ?        ?        ?         ?        
1 1 1 33 22 5  o 57.48866 23.73846 23.25950   44.24979 23.25950   44.24979 ?          ?        57.48866 23.73846 ?        ?        ?         ?        
1 1 1 33 22 6  o 49.47956 21.81100 1.134610   41.98057 1.134610   41.98057 ?          ?        49.47956 21.81100 ?        ?        ?         ?        
1 1 1 33 22 7  o 78.18052 23.50488 75.45156   39.71135 75.45156   39.71135 ?          ?        78.18052 23.50488 ?        ?        ?         ?        
1 1 1 33 23 0  f 37.29924 24.67346 -0.5673050 45.95170 -0.5673050 45.95170 -0.5673050 45.95170 37.29924 24.67346 37.29924 24.67346 -0.000000 0.000000 
1 1 1 33 23 1  o 84.09425 20.13712 80.55730   33.47099 80.55730   33.47099 ?          ?        84.09425 20.13712 ?        ?        ?         ?        
1 1 1 33 23 2  o 80.36844 18.68964 72.61504   29.49986 72.61504   29.49986 ?          ?        80.36844 18.68964 ?        ?        ?         ?        
1 1 1 33 23 3  o 78.83126 20.08779 71.48043   31.76908 71.48043   31.76908 ?          ?        78.83126 20.08779 ?        ?        ?         ?        
1 1 1 33 23 4  o 54.64543 20.43704 28.36525   30.06716 28.36525   30.06716 ?          ?        54.64543 20.43704 ?        ?        ?         ?        
1 1 1 33 23 5  o 72.97614 23.38770 63.53815   38.57674 63.53815   38.57674 ?          ?        72.97614 23.38770 ?        ?        ?         ?        
1 1 1 33 23 6  o 67.17355 22.89323 52.19205   36.87482 52.19205   36.87482 ?          ?        67.17355 22.89323 ?        ?        ?         ?        
1 1 1 33 23 7  o 72.59812 23.39987 64.10546   38.57674 64.10546   38.57674 ?          ?        72.59812 23.39987 ?        ?        ?         ?        
1 1 1 33 24 0  o 26.16371 18.88010 -59.56702  44.24979 -59.56702  44.24979 -59.56702  44.24979 26.16371 18.88010 26.16371 18.88010 -0.000000 0.000000 
1 1 1 33 24 1  o 208.9962 9.907661 447.6036   41.41326 447.6036   41.41326 ?          ?        208.9962 9.907661 ?        ?        ?         ?        
1 1 1 33 24 2  o 69.03388 20.85094 54.46128   31.20177 54.46128   31.20177 ?          ?        69.03388 20.85094 ?        ?        ?         ?        
1 1 1 33 24 3  o 46.43693 19.96726 4.538440   33.47099 4.538440   33.47099 ?          ?        46.43693 19.96726 ?        ?        ?         ?        
1 1 1 33 24 4  o 87.29228 19.04897 86.79766   32.33638 86.79766   32.33638 ?          ?        87.29228 19.04897 ?        ?        ?         ?        
1 1 1 33 24 5  o 82.47887 19.53507 78.85539   31.76908 78.85539   31.76908 ?          ?        82.47887 19.53507 ?        ?        ?         ?        
1 1 1 33 24 6  o 61.44201 20.86639 42.54787   30.63447 42.54787   30.63447 ?          ?        61.44201 20.86639 ?        ?        ?         ?        
1 1 1 33 25 0  o 33.85414 22.73563 -7.942269  41.98057 -7.942269  41.98057 -7.942269  41.98057 33.85414 22.73563 33.85414 22.73563 -0.000000 0.000000 
1 1 1 33 25 1  o 66.99815 20.97691 51.05745   31.20177 51.05745   31.20177 ?          ?        66.99815 20.97691 ?        ?        ?         ?        
1 1 1 33 25 2  o 47.35565 19.66477 11.34610   30.63447 11.34610   30.63447 ?          ?        47.35565 19.66477 ?        ?        ?         ?        
1 1 1 33 25 3  o 58.04661 22.13271 31.76908   35.74022 31.76908   35.74022 ?          ?        58.04661 22.13271 ?        ?        ?         ?        
1 1 1 33 25 4  o 51.55737 20.65778 20.42298   32.33638 20.42298   32.33638 ?          ?        51.55737 20.65778 ?        ?        ?         ?        
1 1 1 33 25 5  o 70.48820 19.99836 57.86510   29.49986 57.86510   29.49986 ?          ?        70.48820 19.99836 ?        ?        ?         ?        
1 1 1 33 25 6  o 85.39103 19.94063 85.66305   33.47099 85.66305   33.47099 ?          ?        85.39103 19.94063 ?        ?        ?         ?        
1 1 1 33 26 0  o 62.79137 31.54460 66.37468   48.22092 66.37468   48.22092 66.37468   48.22092 62.79137 31.54460 62.79137 31.54460 -0.000000 0.000000 
1 1 1 33 26 1  o 71.21889 20.68522 58.43241   31.20177 58.43241   31.20177 ?          ?        71.21889 20.68522 ?        ?        ?         ?        
1 1 1 33 26 2  o 55.11727 20.62588 28.93255   30.63447 28.93255   30.63447 ?          ?        55.11727 20.62588 ?        ?        ?         ?        
1 1 1 33 26 3  o 46.59547 20.08704 4.538440   34.03830 4.538440   34.03830 ?          ?        46.59547 20.08704 ?        ?        ?         ?        
1 1 1 33 26 4  o 50.47648 20.26407 19.28837   31.20177 19.28837   31.20177 ?          ?        50.47648 20.26407 ?        ?        ?         ?        
1 1 1 33 26 5  o 42.49482 18.75853 -2.269220  31.20177 -2.269220  31.20177 ?          ?        42.49482 18.75853 ?        ?        ?         ?        
1 1 1 33 26 6  o 52.34285 20.50930 24.39412   31.20177 24.39412   31.20177 ?          ?        52.34285 20.50930 ?        ?        ?         ?        
1 1 1 33 27 0  o 45.13567 26.62448 29.49986   40.27865 29.49986   40.27865 29.49986   40.27865 45.13567 26.62448 45.13567 26.62448 -0.000000 0.000000 
1 1 1 33 27 1  o 64.98216 21.99511 47.08631   34.03830 47.08631   34.03830 ?          ?        64.98216 21.99511 ?        ?        ?         ?        
1 1 1 33 27 2  o 63.34539 19.54935 45.38440   27.23064 45.38440   27.23064 ?          ?        63.34539 19.54935 ?        ?        ?         ?        
1 1 1 33 27 3  o 42.58188 18.61989 0.000000   30.06716 0.000000   30.06716 ?          ?        42.58188 18.61989 ?        ?        ?         ?        
1 1 1 33 27 4  f 81.99671 19.32083 77.72078   31.20177 77.72078   31.20177 ?          ?        81.99671 19.32083 ?        ?        ?         ?        
1 1 1 33 27 5  o 91.65923 18.28707 95.87454   32.33638 95.87454   32.33638 ?          ?        91.65923 18.28707 ?        ?        ?         ?        
1 1 1 33 28 0  o 20.99384 15.54663 -98.71106  41.41326 -98.71106  41.41326 -98.71106  41.41326 20.99384 15.54663 20.99384 15.54663 -0.000000 0.000000 
1 1 1 33 28 1  o 156.7737 11.03680 254.7199   34.60560 254.7199   34.60560 ?          ?        156.7737 11.03680 ?        ?        ?         ?        
1 1 1 33 28 2  o 50.79473 20.31712 19.85567   31.20177 19.85567   31.20177 ?          ?        50.79473 20.31712 ?        ?        ?         ?        
1 1 1 33 28 3  o 54.24855 20.68116 27.79794   31.20177 27.79794   31.20177 ?          ?        54.24855 20.68116 ?        ?        ?         ?        
1 1 1 33 28 4  o 31.69328 15.42413 -48.22092  31.20177 -48.22092  31.20177 ?          ?        31.69328 15.42413 ?        ?        ?         ?        
1 1 1 33 28 5  o 62.33163 22.73808 43.11518   36.87482 43.11518   36.87482 ?          ?        62.33163 22.73808 ?        ?        ?         ?        
1 1 1 33 29 0  o 36.53573 23.80910 5.105744   40.84595 5.105744   40.84595 5.105744   40.84595 36.53573 23.80910 36.53573 23.80910 -0.000000 0.000000 
1 1 1 33 29 1  o 62.53928 20.67225 44.24979   30.06716 44.24979   30.06716 ?          ?        62.53928 20.67225 ?        ?        ?         ?        
1 1 1 33 29 2  o 52.61360 21.04366 22.12490   33.47099 22.12490   33.47099 ?          ?        52.61360 21.04366 ?        ?        ?         ?        
1 1 1 33 29 3  o 91.01939 18.40709 94.17262   32.33638 94.17262   32.33638 ?          ?        91.01939 18.40709 ?        ?        ?         ?        
1 1 1 33 29 4  o 74.89908 19.77707 65.80738   30.06716 65.80738   30.06716 ?          ?        74.89908 19.77707 ?        ?        ?         ?        
1 1 1 33 29 5  o 55.87181 19.80474 33.47099   27.79794 33.47099   27.79794 ?          ?        55.87181 19.80474 ?        ?        ?         ?        
1 1 1 33 30 0  o 27.85700 19.73610 -38.00943  41.98057 -38.00943  41.98057 -38.00943  41.98057 27.85700 19.73610 27.85700 19.73610 -0.000000 0.000000 
1 1 1 33 30 1  o 84.15628 18.04798 80.55730   29.49986 80.55730   29.49986 ?          ?        84.15628 18.04798 ?        ?        ?         ?        
1 1 1 33 30 2  o 86.73212 21.36875 89.06688   36.87482 89.06688   36.87482 ?          ?        86.73212 21.36875 ?        ?        ?         ?        
1 1 1 33 30 3  o 97.30039 15.45069 102.1149   30.06716 102.1149   30.06716 ?          ?        97.30039 15.45069 ?        ?        ?         ?        
1 1 1 33 30 4  o 32.00467 15.46678 -40.84595  30.06716 -40.84595  30.06716 ?          ?        32.00467 15.46678 ?        ?        ?         ?        
1 1 1 33 31 0  o 25.68248 18.49698 -51.62476  41.41326 -51.62476  41.41326 -51.62476  41.41326 25.68248 18.49698 25.68248 18.49698 -0.000000 0.000000 
1 1 1 33 31 1  o 44.13150 19.21980 1.701915   31.76908 1.701915   31.76908 ?          ?        44.13150 19.21980 ?        ?        ?         ?        
1 1 1 33 31 2  o 40.80066 18.03027 -2.836525  28.93255 -2.836525  28.93255 ?          ?        40.80066 18.03027 ?        ?        ?         ?        
1 1 1 33 31 3  o 44.03439 18.53306 8.509575   27.79794 8.509575   27.79794 ?          ?        44.03439 18.53306 ?        ?        ?         ?        
1 1 1 33 31 4  o 47.24289 19.74611 11.91340   31.20177 11.91340   31.20177 ?          ?        47.24289 19.74611 ?        ?        ?         ?        
1 1 1 33 32 0  o 49.47041 28.45503 39.71135   44.24979 39.71135   44.24979 39.71135   44.24979 49.47041 28.45503 49.47041 28.45503 -0.000000 0.000000 
1 1 1 33 32 1  o 40.92095 18.06368 -2.269220  28.93255 -2.269220  28.93255 ?          ?        40.92095 18.06368 ?        ?        ?         ?        
1 1 1 33 32 2  o 69.98531 21.46738 58.43241   32.90369 58.43241   32.90369 ?          ?        69.98531 21.46738 ?        ?        ?         ?        
1 1 1 33 32 3  o 82.96364 17.94474 78.85539   28.93255 78.85539   28.93255 ?          ?        82.96364 17.94474 ?        ?        ?         ?        
1 1 1 33 33 0  o 44.04588 26.33114 28.36525   40.27865 28.36525   40.27865 28.36525   40.27865 44.04588 26.33114 44.04588 26.33114 -0.000000 0.000000 
1 1 1 33 33 1  o 43.24861 18.48136 5.673049   28.36525 5.673049   28.36525 ?          ?        43.24861 18.48136 ?        ?        ?         ?        
1 1 1 33 33 2  f 61.86344 20.86638 43.68248   30.63447 43.68248   30.63447 ?          ?        61.86344 20.86638 ?        ?        ?         ?        
1 1 1 33 34 0  f 38.62446 25.01914 9.076880   44.24979 9.076880   44.24979 9.076880   44.24979 38.62446 25.01914 38.62446 25.01914 -0.000000 0.000000 
1 1 1 34 0  0  o 47.71434 31.58321 -5.105744  75.45156 -5.105744  75.45156 -5.105744  75.45156 47.71434 31.58321 47.71434 31.58321 -0.000000 0.000000 
1 1 1 34 0  1  o 111.8768 38.21138 177.5665   76.58617 177.5665   76.58617 177.5665   76.58617 111.8768 38.21138 111.8768 38.21138 -0.000000 0.000000 
1 1 1 34 0  3  o 29.96318 21.91139 -120.8360  69.21120 -120.8360  69.21120 -120.8360  69.21120 29.96318 21.91139 29.96318 21.91139 -0.000000 0.000000 
1 1 1 34 0  4  o 42.30687 29.11907 -27.79794  76.58617 -27.79794  76.58617 -27.79794  76.58617 42.30687 29.11907 42.30687 29.11907 -0.000000 0.000000 
1 1 1 34 0  5  o 53.60222 33.59165 34.60560   72.61504 34.60560   72.61504 34.60560   72.61504 53.60222 33.59165 53.60222 33.59165 -0.000000 0.000000 
1 1 1 34 0  6  o 73.63403 38.21098 97.57646   72.04772 97.57646   72.04772 97.57646   72.04772 73.63403 38.21098 73.63403 38.21098 -0.000000 0.000000 
1 1 1 34 0  7  o 26.01030 19.27284 -157.1435  65.80738 -157.1435  65.80738 -157.1435  65.80738 26.01030 19.27284 26.01030 19.27284 -0.000000 0.000000 
1 1 1 34 0  8  o 42.38578 29.79427 -51.05745  91.33610 -51.05745  91.33610 -51.05745  91.33610 42.38578 29.79427 42.38578 29.79427 -0.000000 0.000000 
1 1 1 34 1  0  o 29.44348 21.31905 -90.76879  60.13433 -90.76879  60.13433 -90.76879  60.13433 29.44348 21.31905 29.44348 21.31905 -0.000000 0.000000 
1 1 1 34 1  1  o 65.96066 27.90258 22.69220   63.53815 22.69220   63.53815 ?          ?        65.96066 27.90258 ?        ?        ?         ?        
1 1 1 34 1  2  o 110.3745 34.79733 161.1146   85.66305 161.1146   85.66305 ?          ?        110.3745 34.79733 ?        ?        ?         ?        
1 1 1 34 1  3  o 41.61805 20.04523 -62.40355  49.35553 -62.40355  49.35553 ?          ?        41.61805 20.04523 ?        ?        ?         ?        
1 1 1 34 1  4  f 76.37262 27.65549 66.37468   54.46128 66.37468   54.46128 ?          ?        76.37262 27.65549 ?        ?        ?         ?        
1 1 1 34 1  5  o 64.98758 26.85935 30.63447   56.73050 30.63447   56.73050 ?          ?        64.98758 26.85935 ?        ?        ?         ?        
1 1 1 34 1  6  o 123.0845 17.97537 165.0858   44.24979 165.0858   44.24979 ?          ?        123.0845 17.97537 ?        ?        ?         ?        
1 1 1 34 1  7  o 97.48737 27.93943 123.1052   57.29780 123.1052   57.29780 ?          ?        97.48737 27.93943 ?        ?        ?         ?        
1 1 1 34 1  8  o 90.73372 26.68921 106.0860   51.62476 106.0860   51.62476 ?          ?        90.73372 26.68921 ?        ?        ?         ?        
1 1 1 34 2  0  o 45.30802 29.89914 2.269220   66.94199 2.269220   66.94199 2.269220   66.94199 45.30802 29.89914 45.30802 29.89914 -0.000000 0.000000 
1 1 1 34 2  1  o 57.66444 24.50169 12.48071   49.35553 12.48071   49.35553 ?          ?        57.66444 24.50169 ?        ?        ?         ?        
1 1 1 34 2  2  o 60.36278 26.60244 2.836525   62.40355 2.836525   62.40355 ?          ?        60.36278 26.60244 ?        ?        ?         ?        
1 1 1 34 2  3  o 49.84603 23.24788 -36.30752  56.73050 -36.30752  56.73050 ?          ?        49.84603 23.24788 ?        ?        ?         ?        
1 1 1 34 2  4  o 68.20089 26.00768 47.08631   49.35553 47.08631   49.35553 ?          ?        68.20089 26.00768 ?        ?        ?         ?        
1 1 1 34 2  5  o 57.40412 25.84501 -8.509575  62.40355 -8.509575  62.40355 ?          ?        57.40412 25.84501 ?        ?        ?         ?        
1 1 1 34 2  6  o 75.10043 26.68398 65.80738   50.49014 65.80738   50.49014 ?          ?        75.10043 26.68398 ?        ?        ?         ?        
1 1 1 34 2  7  o 44.56913 21.31212 -51.05745  53.32666 -51.05745  53.32666 ?          ?        44.56913 21.31212 ?        ?        ?         ?        
1 1 1 34 2  8  o 80.02474 25.51338 80.55730   45.95170 80.55730   45.95170 ?          ?        80.02474 25.51338 ?        ?        ?         ?        
1 1 1 34 3  0  o 46.74221 32.04090 -28.93255  90.76879 -28.93255  90.76879 -28.93255  90.76879 46.74221 32.04090 46.74221 32.04090 -0.000000 0.000000 
1 1 1 34 3  1  o 74.12382 29.46854 50.49014   65.24007 50.49014   65.24007 ?          ?        74.12382 29.46854 ?        ?        ?         ?        
1 1 1 34 3  2  o 69.70216 28.06975 41.41326   60.13433 41.41326   60.13433 ?          ?        69.70216 28.06975 ?        ?        ?         ?        
1 1 1 34 3  3  o 63.52349 26.59312 23.82681   56.73050 23.82681   56.73050 ?          ?        63.52349 26.59312 ?        ?        ?         ?        
1 1 1 34 3  4  o 79.53304 29.15781 73.74965   60.70163 73.74965   60.70163 ?          ?        79.53304 29.15781 ?        ?        ?         ?        
1 1 1 34 3  5  o 50.14604 23.93057 -61.26894  66.37468 -61.26894  66.37468 ?          ?        50.14604 23.93057 ?        ?        ?         ?        
1 1 1 34 3  6  o 96.05391 27.88984 116.2975   56.73050 116.2975   56.73050 ?          ?        96.05391 27.88984 ?        ?        ?         ?        
1 1 1 34 3  7  o 47.10120 21.85779 -24.96142  49.35553 -24.96142  49.35553 ?          ?        47.10120 21.85779 ?        ?        ?         ?        
1 1 1 34 3  8  o 55.80232 23.17391 22.12490   42.54787 22.12490   42.54787 ?          ?        55.80232 23.17391 ?        ?        ?         ?        
1 1 1 34 4  0  f 60.05871 38.84574 32.33638   106.0860 32.33638   106.0860 32.33638   106.0860 60.05871 38.84574 60.05871 38.84574 -0.000000 0.000000 
1 1 1 34 4  1  o 63.28900 26.83573 19.28837   58.99971 19.28837   58.99971 ?          ?        63.28900 26.83573 ?        ?        ?         ?        
1 1 1 34 4  2  o 83.18641 27.38366 81.69191   52.75936 81.69191   52.75936 ?          ?        83.18641 27.38366 ?        ?        ?         ?        
1 1 1 34 4  3  o 71.70937 28.26836 48.22092   59.56702 48.22092   59.56702 ?          ?        71.70937 28.26836 ?        ?        ?         ?        
1 1 1 34 4  4  o 58.89315 25.46617 11.91340   55.02858 11.91340   55.02858 ?          ?        58.89315 25.46617 ?        ?        ?         ?        
1 1 1 34 4  5  o 53.88371 25.37295 -50.49014  71.48043 -50.49014  71.48043 ?          ?        53.88371 25.37295 ?        ?        ?         ?        
1 1 1 34 4  6  o 49.02935 23.72065 -83.39383  71.48043 -83.39383  71.48043 ?          ?        49.02935 23.72065 ?        ?        ?         ?        
1 1 1 34 4  7  f 51.53640 22.91137 -1.134610  47.65361 -1.134610  47.65361 ?          ?        51.53640 22.91137 ?        ?        ?         ?        
1 1 1 34 4  8  o 61.14911 24.06746 36.87482   43.11518 36.87482   43.11518 ?          ?        61.14911 24.06746 ?        ?        ?         ?        
1 1 1 34 5  0  o 47.59313 32.52042 -24.39412  91.90340 -24.39412  91.90340 -24.39412  91.90340 47.59313 32.52042 47.59313 32.52042 -0.000000 0.000000 
1 1 1 34 5  1  o 74.28214 32.36789 26.09603   90.20149 26.09603   90.20149 ?          ?        74.28214 32.36789 ?        ?        ?         ?        
1 1 1 34 5  2  o 44.56068 20.89174 -36.87482  47.08631 -36.87482  47.08631 ?          ?        44.56068 20.89174 ?        ?        ?         ?        
1 1 1 34 5  3  o 51.86334 23.60126 -18.72106  53.89397 -18.72106  53.89397 ?          ?        51.86334 23.60126 ?        ?        ?         ?        
1 1 1 34 5  4  o 47.72455 23.66220 -154.8743  85.09574 -154.8743  85.09574 ?          ?        47.72455 23.66220 ?        ?        ?         ?        
1 1 1 34 5  5  o 43.44764 21.36831 -107.2206  64.10546 -107.2206  64.10546 ?          ?        43.44764 21.36831 ?        ?        ?         ?        
1 1 1 34 5  6  o 78.90311 26.93838 74.88425   51.05745 74.88425   51.05745 ?          ?        78.90311 26.93838 ?        ?        ?         ?        
1 1 1 34 5  7  o 56.62393 23.74902 20.42298   45.38440 20.42298   45.38440 ?          ?        56.62393 23.74902 ?        ?        ?         ?        
1 1 1 34 5  8  o 75.14214 26.68547 70.34581   50.49014 70.34581   50.49014 ?          ?        75.14214 26.68547 ?        ?        ?         ?        
1 1 1 34 6  0  o 47.87976 33.11362 -38.57674  100.9803 -38.57674  100.9803 -38.57674  100.9803 47.87976 33.11362 47.87976 33.11362 -0.000000 0.000000 
1 1 1 34 6  1  o 71.04462 32.13392 -2.269220  97.57646 -2.269220  97.57646 ?          ?        71.04462 32.13392 ?        ?        ?         ?        
1 1 1 34 6  2  o 115.6204 22.89403 153.1723   51.05745 153.1723   51.05745 ?          ?        115.6204 22.89403 ?        ?        ?         ?        
1 1 1 34 6  3  o 55.39011 25.02370 -13.04801  58.99971 -13.04801  58.99971 ?          ?        55.39011 25.02370 ?        ?        ?         ?        
1 1 1 34 6  4  o 82.09571 29.37197 81.69191   61.26894 81.69191   61.26894 ?          ?        82.09571 29.37197 ?        ?        ?         ?        
1 1 1 34 6  5  o 72.72864 27.32956 56.73050   53.89397 56.73050   53.89397 ?          ?        72.72864 27.32956 ?        ?        ?         ?        
1 1 1 34 6  6  o 46.22982 21.05687 -15.88454  43.11518 -15.88454  43.11518 ?          ?        46.22982 21.05687 ?        ?        ?         ?        
1 1 1 34 6  7  o 76.81422 26.17941 72.61504   48.22092 72.61504   48.22092 ?          ?        76.81422 26.17941 ?        ?        ?         ?        
1 1 1 34 6  8  o 34.70891 17.09354 -77.72078  42.54787 -77.72078  42.54787 ?          ?        34.70891 17.09354 ?        ?        ?         ?        
1 1 1 34 7  0  o 72.32948 42.11500 91.90340   98.71106 91.90340   98.71106 91.90340   98.71106 72.32948 42.11500 72.32948 42.11500 -0.000000 0.000000 
1 1 1 34 7  1  o 47.02266 22.41711 -56.73050  57.86510 -56.73050  57.86510 ?          ?        47.02266 22.41711 ?        ?        ?         ?        
1 1 1 34 7  2  o 52.56834 23.29846 -4.538440  48.78823 -4.538440  48.78823 ?          ?        52.56834 23.29846 ?        ?        ?         ?        
1 1 1 34 7  3  f 60.69611 25.83310 16.45185   55.02858 16.45185   55.02858 ?          ?        60.69611 25.83310 ?        ?        ?         ?        
1 1 1 34 7  4  o 61.51673 27.47217 1.134610   69.21120 1.134610   69.21120 ?          ?        61.51673 27.47217 ?        ?        ?         ?        
1 1 1 34 7  5  o 70.71252 25.84338 54.46128   47.65361 54.46128   47.65361 ?          ?        70.71252 25.84338 ?        ?        ?         ?        
1 1 1 34 7  6  o 93.16364 19.50564 98.71106   35.17290 98.71106   35.17290 ?          ?        93.16364 19.50564 ?        ?        ?         ?        
1 1 1 34 7  7  o 36.49797 17.85878 -70.34581  43.68248 -70.34581  43.68248 ?          ?        36.49797 17.85878 ?        ?        ?         ?        
1 1 1 34 7  8  o 69.00721 24.35048 56.73050   41.98057 56.73050   41.98057 ?          ?        69.00721 24.35048 ?        ?        ?         ?        
1 1 1 34 8  0  o 64.47704 38.18377 67.50929   83.39383 67.50929   83.39383 67.50929   83.39383 64.47704 38.18377 64.47704 38.18377 -0.000000 0.000000 
1 1 1 34 8  1  o 56.43939 24.60686 4.538440   52.19205 4.538440   52.19205 ?          ?        56.43939 24.60686 ?        ?        ?         ?        
1 1 1 34 8  2  o 96.87388 23.84608 109.4899   45.95170 109.4899   45.95170 ?          ?        96.87388 23.84608 ?        ?        ?         ?        
1 1 1 34 8  3  o 75.84332 27.11169 64.67276   52.19205 64.67276   52.19205 ?          ?        75.84332 27.11169 ?        ?        ?         ?        
1 1 1 34 8  4  o 67.80098 29.62748 20.42298   76.01886 20.42298   76.01886 ?          ?        67.80098 29.62748 ?        ?        ?         ?        
1 1 1 34 8  5  o 42.17129 20.16100 -50.49014  47.65361 -50.49014  47.65361 ?          ?        42.17129 20.16100 ?        ?        ?         ?        
1 1 1 34 8  6  o 35.50386 17.40678 -72.04772  41.98057 -72.04772  41.98057 ?          ?        35.50386 17.40678 ?        ?        ?         ?        
1 1 1 34 8  7  o 43.14744 20.46857 -41.41326  47.65361 -41.41326  47.65361 ?          ?        43.14744 20.46857 ?        ?        ?         ?        
1 1 1 34 8  8  o 100.7782 23.25453 124.2398   45.95170 124.2398   45.95170 ?          ?        100.7782 23.25453 ?        ?        ?         ?        
1 1 1 34 9  0  o 56.69971 36.80241 26.09603   96.44185 26.09603   96.44185 26.09603   96.44185 56.69971 36.80241 56.69971 36.80241 -0.000000 0.000000 
1 1 1 34 9  1  o 64.91785 27.21687 25.52872   59.56702 25.52872   59.56702 ?          ?        64.91785 27.21687 ?        ?        ?         ?        
1 1 1 34 9  2  o 80.60365 29.56244 73.18234   62.40355 73.18234   62.40355 ?          ?        80.60365 29.56244 ?        ?        ?         ?        
1 1 1 34 9  3  o 95.35551 27.39764 111.7591   55.02858 111.7591   55.02858 ?          ?        95.35551 27.39764 ?        ?        ?         ?        
1 1 1 34 9  4  o 52.77744 23.18784 1.134610   47.08631 1.134610   47.08631 ?          ?        52.77744 23.18784 ?        ?        ?         ?        
1 1 1 34 9  5  o 44.72973 20.51936 -19.85567  41.98057 -19.85567  41.98057 ?          ?        44.72973 20.51936 ?        ?        ?         ?        
1 1 1 34 9  6  o 118.8269 17.18717 153.1723   40.84595 153.1723   40.84595 ?          ?        118.8269 17.18717 ?        ?        ?         ?        
1 1 1 34 9  7  o 69.85985 25.53366 56.16319   46.51900 56.16319   46.51900 ?          ?        69.85985 25.53366 ?        ?        ?         ?        
1 1 1 34 9  8  o 53.99439 23.15705 14.18262   44.81709 14.18262   44.81709 ?          ?        53.99439 23.15705 ?        ?        ?         ?        
1 1 1 34 10 0  o 49.71650 30.98249 28.36525   60.70163 28.36525   60.70163 28.36525   60.70163 49.71650 30.98249 49.71650 30.98249 -0.000000 0.000000 
1 1 1 34 10 1  o 76.71070 34.06301 20.99029   104.9514 20.99029   104.9514 ?          ?        76.71070 34.06301 ?        ?        ?         ?        
1 1 1 34 10 2  o 71.48573 30.07795 35.17290   73.18234 35.17290   73.18234 ?          ?        71.48573 30.07795 ?        ?        ?         ?        
1 1 1 34 10 3  o 99.39696 22.49534 115.1629   43.68248 115.1629   43.68248 ?          ?        99.39696 22.49534 ?        ?        ?         ?        
1 1 1 34 10 4  o 67.48698 25.13469 47.08631   45.38440 47.08631   45.38440 ?          ?        67.48698 25.13469 ?        ?        ?         ?        
1 1 1 34 10 5  o 102.1136 25.13604 126.5090   51.05745 126.5090   51.05745 ?          ?        102.1136 25.13604 ?        ?        ?         ?        
1 1 1 34 10 6  o 48.95822 21.72047 -2.836525  42.54787 -2.836525  42.54787 ?          ?        48.95822 21.72047 ?        ?        ?         ?        
1 1 1 34 10 7  o 64.82542 24.76485 44.24979   44.81709 44.24979   44.81709 ?          ?        64.82542 24.76485 ?        ?        ?         ?        
1 1 1 34 10 8  o 73.23881 24.42674 65.80738   41.98057 65.80738   41.98057 ?          ?        73.23881 24.42674 ?        ?        ?         ?        
1 1 1 34 11 0  o 64.74764 39.12218 65.80738   90.76879 65.80738   90.76879 65.80738   90.76879 64.74764 39.12218 64.74764 39.12218 -0.000000 0.000000 
1 1 1 34 11 1  o 62.91234 24.71448 34.03830   45.38440 34.03830   45.38440 ?          ?        62.91234 24.71448 ?        ?        ?         ?        
1 1 1 34 11 2  o 58.56240 24.90299 14.74993   51.05745 14.74993   51.05745 ?          ?        58.56240 24.90299 ?        ?        ?         ?        
1 1 1 34 11 3  o 51.28140 22.43342 2.269220   43.68248 2.269220   43.68248 ?          ?        51.28140 22.43342 ?        ?        ?         ?        
1 1 1 34 11 4  o 59.57013 23.17916 31.20177   39.71135 31.20177   39.71135 ?          ?        59.57013 23.17916 ?        ?        ?         ?        
1 1 1 34 11 5  o 53.91523 22.98378 11.91340   43.68248 11.91340   43.68248 ?          ?        53.91523 22.98378 ?        ?        ?         ?        
1 1 1 34 11 6  o 91.33834 23.23060 100.4130   42.54787 100.4130   42.54787 ?          ?        91.33834 23.23060 ?        ?        ?         ?        
1 1 1 34 11 7  o 84.24982 21.74379 84.52843   36.87482 84.52843   36.87482 ?          ?        84.24982 21.74379 ?        ?        ?         ?        
1 1 1 34 11 8  o 95.51021 21.59106 108.9226   40.27865 108.9226   40.27865 ?          ?        95.51021 21.59106 ?        ?        ?         ?        
1 1 1 34 12 0  o 72.56769 43.89938 90.20149   114.5956 90.20149   114.5956 90.20149   114.5956 72.56769 43.89938 72.56769 43.89938 -0.000000 0.000000 
1 1 1 34 12 1  o 96.23404 27.87295 112.8937   56.73050 112.8937   56.73050 ?          ?        96.23404 27.87295 ?        ?        ?         ?        
1 1 1 34 12 2  o 109.4132 23.25380 139.5570   49.35553 139.5570   49.35553 ?          ?        109.4132 23.25380 ?        ?        ?         ?        
1 1 1 34 12 3  o 71.10742 23.75739 57.86510   39.71135 57.86510   39.71135 ?          ?        71.10742 23.75739 ?        ?        ?         ?        
1 1 1 34 12 4  o 51.12368 22.17657 3.971134   41.98057 3.971134   41.98057 ?          ?        51.12368 22.17657 ?        ?        ?         ?        
1 1 1 34 12 5  o 34.30508 16.78504 -65.24007  38.57674 -65.24007  38.57674 ?          ?        34.30508 16.78504 ?        ?        ?         ?        
1 1 1 34 12 6  o 66.75205 24.56376 49.35553   43.11518 49.35553   43.11518 ?          ?        66.75205 24.56376 ?        ?        ?         ?        
1 1 1 34 12 7  o 50.70184 20.62594 18.15376   32.90369 18.15376   32.90369 ?          ?        50.70184 20.62594 ?        ?        ?         ?        
1 1 1 34 13 0  f 79.79525 43.85418 118.5667   99.27837 118.5667   99.27837 118.5667   99.27837 79.79525 43.85418 79.79525 43.85418 -0.000000 0.000000 
1 1 1 34 13 1  o 56.95275 24.20942 13.61532   48.22092 13.61532   48.22092 ?          ?        56.95275 24.20942 ?        ?        ?         ?        
1 1 1 34 13 2  o 78.03823 24.50817 72.04772   42.54787 72.04772   42.54787 ?          ?        78.03823 24.50817 ?        ?        ?         ?        
1 1 1 34 13 3  o 66.67260 24.26715 47.08631   41.98057 47.08631   41.98057 ?          ?        66.67260 24.26715 ?        ?        ?         ?        
1 1 1 34 13 4  f 120.0333 23.28042 167.9223   53.89397 167.9223   53.89397 ?          ?        120.0333 23.28042 ?        ?        ?         ?        
1 1 1 34 13 5  o 46.36094 21.10059 -15.31723  43.11518 -15.31723  43.11518 ?          ?        46.36094 21.10059 ?        ?        ?         ?        
1 1 1 34 13 6  o 42.56926 19.58761 -18.72106  38.57674 -18.72106  38.57674 ?          ?        42.56926 19.58761 ?        ?        ?         ?        
1 1 1 34 13 7  o 91.21550 21.73546 99.27837   39.14404 99.27837   39.14404 ?          ?        91.21550 21.73546 ?        ?        ?         ?        
1 1 1 34 14 0  o 50.59780 34.00220 -3.971134  94.17262 -3.971134  94.17262 -3.971134  94.17262 50.59780 34.00220 50.59780 34.00220 -0.000000 0.000000 
1 1 1 34 14 1  o 88.11089 24.74303 93.03801   45.38440 93.03801   45.38440 ?          ?        88.11089 24.74303 ?        ?        ?         ?        
1 1 1 34 14 2  o 122.5406 22.10382 173.0280   52.19205 173.0280   52.19205 ?          ?        122.5406 22.10382 ?        ?        ?         ?        
1 1 1 34 14 3  o 74.08184 24.75463 62.97085   43.11518 62.97085   43.11518 ?          ?        74.08184 24.75463 ?        ?        ?         ?        
1 1 1 34 14 4  o 36.70247 17.93549 -70.91312  43.68248 -70.91312  43.68248 ?          ?        36.70247 17.93549 ?        ?        ?         ?        
1 1 1 34 14 5  o 87.89632 21.45681 90.20149   37.44213 90.20149   37.44213 ?          ?        87.89632 21.45681 ?        ?        ?         ?        
1 1 1 34 14 6  o 68.63687 24.33725 54.46128   41.98057 54.46128   41.98057 ?          ?        68.63687 24.33725 ?        ?        ?         ?        
1 1 1 34 14 7  o 57.13551 23.38384 26.09603   42.54787 26.09603   42.54787 ?          ?        57.13551 23.38384 ?        ?        ?         ?        
1 1 1 34 15 0  o 47.54017 33.05433 -44.81709  105.5187 -44.81709  105.5187 -44.81709  105.5187 47.54017 33.05433 47.54017 33.05433 -0.000000 0.000000 
1 1 1 34 15 1  o 72.09695 25.47259 58.99971   45.95170 58.99971   45.95170 ?          ?        72.09695 25.47259 ?        ?        ?         ?        
1 1 1 34 15 2  o 87.30736 26.73354 93.03801   51.05745 93.03801   51.05745 ?          ?        87.30736 26.73354 ?        ?        ?         ?        
1 1 1 34 15 3  o 73.72582 24.42675 62.40355   41.98057 62.40355   41.98057 ?          ?        73.72582 24.42675 ?        ?        ?         ?        
1 1 1 34 15 4  f 48.43545 21.41121 -2.269220  40.84595 -2.269220  40.84595 ?          ?        48.43545 21.41121 ?        ?        ?         ?        
1 1 1 34 15 5  o 94.62825 22.97837 106.6533   43.11518 106.6533   43.11518 ?          ?        94.62825 22.97837 ?        ?        ?         ?        
1 1 1 34 15 6  o 45.67024 21.95128 -60.13433  58.43241 -60.13433  58.43241 ?          ?        45.67024 21.95128 ?        ?        ?         ?        
1 1 1 34 15 7  o 67.56211 24.29888 53.32666   41.98057 53.32666   41.98057 ?          ?        67.56211 24.29888 ?        ?        ?         ?        
1 1 1 34 16 0  o 123.7248 28.76839 188.3452   61.83624 188.3452   61.83624 188.3452   61.83624 123.7248 28.76839 123.7248 28.76839 -0.000000 0.000000 
1 1 1 34 16 1  o 100.9341 23.23028 119.7014   45.95170 119.7014   45.95170 ?          ?        100.9341 23.23028 ?        ?        ?         ?        
1 1 1 34 16 2  o 63.56620 24.64677 37.44213   44.81709 37.44213   44.81709 ?          ?        63.56620 24.64677 ?        ?        ?         ?        
1 1 1 34 16 3  o 90.78395 24.00182 98.14376   44.24979 98.14376   44.24979 ?          ?        90.78395 24.00182 ?        ?        ?         ?        
1 1 1 34 16 4  o 89.66941 23.91177 96.44185   43.68248 96.44185   43.68248 ?          ?        89.66941 23.91177 ?        ?        ?         ?        
1 1 1 34 16 5  o 57.78117 23.18995 27.79794   40.84595 27.79794   40.84595 ?          ?        57.78117 23.18995 ?        ?        ?         ?        
1 1 1 34 16 6  o 45.27864 22.42884 -133.3167  76.01886 -133.3167  76.01886 ?          ?        45.27864 22.42884 ?        ?        ?         ?        
1 1 1 34 16 7  o 87.53208 20.98107 91.33610   36.30752 91.33610   36.30752 ?          ?        87.53208 20.98107 ?        ?        ?         ?        
1 1 1 34 17 0  o 64.61481 34.16570 71.48043   58.43241 71.48043   58.43241 71.48043   58.43241 64.61481 34.16570 64.61481 34.16570 -0.000000 0.000000 
1 1 1 34 17 1  o 94.64314 25.07106 107.2206   48.22092 107.2206   48.22092 ?          ?        94.64314 25.07106 ?        ?        ?         ?        
1 1 1 34 17 2  o 64.08592 25.58292 35.17290   49.35553 35.17290   49.35553 ?          ?        64.08592 25.58292 ?        ?        ?         ?        
1 1 1 34 17 3  o 41.33698 19.74135 -47.08631  45.38440 -47.08631  45.38440 ?          ?        41.33698 19.74135 ?        ?        ?         ?        
1 1 1 34 17 4  o 72.99847 25.07246 61.83624   44.24979 61.83624   44.24979 ?          ?        72.99847 25.07246 ?        ?        ?         ?        
1 1 1 34 17 5  o 52.59995 22.39960 12.48071   41.41326 12.48071   41.41326 ?          ?        52.59995 22.39960 ?        ?        ?         ?        
1 1 1 34 17 6  o 104.9487 20.46018 127.6436   41.41326 127.6436   41.41326 ?          ?        104.9487 20.46018 ?        ?        ?         ?        
1 1 1 34 17 7  o 60.72522 23.53274 37.44213   40.84595 37.44213   40.84595 ?          ?        60.72522 23.53274 ?        ?        ?         ?        
1 1 1 34 18 0  o 29.50032 21.19254 -63.53815  53.32666 -63.53815  53.32666 -63.53815  53.32666 29.50032 21.19254 29.50032 21.19254 -0.000000 0.000000 
1 1 1 34 18 1  o 46.99092 20.25558 3.403830   34.60560 3.403830   34.60560 ?          ?        46.99092 20.25558 ?        ?        ?         ?        
1 1 1 34 18 2  o 65.28564 22.17764 47.08631   34.60560 47.08631   34.60560 ?          ?        65.28564 22.17764 ?        ?        ?         ?        
1 1 1 34 18 3  o 82.28222 24.02425 81.12460   41.98057 81.12460   41.98057 ?          ?        82.28222 24.02425 ?        ?        ?         ?        
1 1 1 34 18 4  o 69.16609 25.75632 52.19205   47.65361 52.19205   47.65361 ?          ?        69.16609 25.75632 ?        ?        ?         ?        
1 1 1 34 18 5  o 75.11554 26.41332 68.64390   49.35553 68.64390   49.35553 ?          ?        75.11554 26.41332 ?        ?        ?         ?        
1 1 1 34 18 6  o 42.36323 19.63880 -22.12490  39.71135 -22.12490  39.71135 ?          ?        42.36323 19.63880 ?        ?        ?         ?        
1 1 1 34 19 0  o 35.28868 23.68085 -7.942269  45.38440 -7.942269  45.38440 -7.942269  45.38440 35.28868 23.68085 35.28868 23.68085 -0.000000 0.000000 
1 1 1 34 19 1  o 59.37192 22.12416 34.60560   35.17290 34.60560   35.17290 ?          ?        59.37192 22.12416 ?        ?        ?         ?        
1 1 1 34 19 2  o 45.48498 21.33659 -35.74022  49.35553 -35.74022  49.35553 ?          ?        45.48498 21.33659 ?        ?        ?         ?        
1 1 1 34 19 3  o 71.43474 23.75739 58.99971   39.71135 58.99971   39.71135 ?          ?        71.43474 23.75739 ?        ?        ?         ?        
1 1 1 34 19 4  o 34.89384 17.06308 -65.24007  39.71135 -65.24007  39.71135 ?          ?        34.89384 17.06308 ?        ?        ?         ?        
1 1 1 34 19 5  f 46.94165 21.28929 -10.77879  43.11518 -10.77879  43.11518 ?          ?        46.94165 21.28929 ?        ?        ?         ?        
1 1 1 34 19 6  o 69.37126 23.91184 57.29780   40.27865 57.29780   40.27865 ?          ?        69.37126 23.91184 ?        ?        ?         ?        
1 1 1 34 20 0  o 128.0074 26.32650 195.1529   59.56702 195.1529   59.56702 195.1529   59.56702 128.0074 26.32650 128.0074 26.32650 -0.000000 0.000000 
1 1 1 34 20 1  o 54.73475 21.79517 23.82681   35.74022 23.82681   35.74022 ?          ?        54.73475 21.79517 ?        ?        ?         ?        
1 1 1 34 20 2  o 52.19986 22.15540 11.34610   40.27865 11.34610   40.27865 ?          ?        52.19986 22.15540 ?        ?        ?         ?        
1 1 1 34 20 3  o 48.89786 21.46499 0.5673050  40.27865 0.5673050  40.27865 ?          ?        48.89786 21.46499 ?        ?        ?         ?        
1 1 1 34 20 4  o 70.27106 25.12292 57.29780   44.81709 57.29780   44.81709 ?          ?        70.27106 25.12292 ?        ?        ?         ?        
1 1 1 34 20 5  o 93.27131 21.42287 102.6822   39.14404 102.6822   39.14404 ?          ?        93.27131 21.42287 ?        ?        ?         ?        
1 1 1 34 20 6  o 49.51602 20.84393 13.04801   35.17290 13.04801   35.17290 ?          ?        49.51602 20.84393 ?        ?        ?         ?        
1 1 1 34 21 0  o 103.7388 29.09587 139.5570   52.19205 139.5570   52.19205 139.5570   52.19205 103.7388 29.09587 103.7388 29.09587 -0.000000 0.000000 
1 1 1 34 21 1  o 87.03622 21.58714 88.49958   37.44213 88.49958   37.44213 ?          ?        87.03622 21.58714 ?        ?        ?         ?        
1 1 1 34 21 2  o 38.01383 17.71998 -23.82681  32.90369 -23.82681  32.90369 ?          ?        38.01383 17.71998 ?        ?        ?         ?        
1 1 1 34 21 3  o 105.6413 17.18434 121.4033   36.30752 121.4033   36.30752 ?          ?        105.6413 17.18434 ?        ?        ?         ?        
1 1 1 34 21 4  o 63.22526 25.06674 38.57674   47.08631 38.57674   47.08631 ?          ?        63.22526 25.06674 ?        ?        ?         ?        
1 1 1 34 21 5  o 89.77036 21.69583 95.87454   38.57674 95.87454   38.57674 ?          ?        89.77036 21.69583 ?        ?        ?         ?        
1 1 1 34 21 6  o 79.98418 23.36998 78.85539   39.71135 78.85539   39.71135 ?          ?        79.98418 23.36998 ?        ?        ?         ?        
1 1 1 34 22 0  o 22.05145 16.41358 -139.5570  51.05745 -139.5570  51.05745 -139.5570  51.05745 22.05145 16.41358 22.05145 16.41358 -0.000000 0.000000 
1 1 1 34 22 1  f 48.33683 20.61541 7.374964   35.17290 7.374964   35.17290 ?          ?        48.33683 20.61541 ?        ?        ?         ?        
1 1 1 34 22 2  o 50.51461 21.39653 10.77879   37.44213 10.77879   37.44213 ?          ?        50.51461 21.39653 ?        ?        ?         ?        
1 1 1 34 22 3  o 70.20608 21.67540 57.86510   33.47099 57.86510   33.47099 ?          ?        70.20608 21.67540 ?        ?        ?         ?        
1 1 1 34 22 4  o 29.04349 14.44668 -74.88425  32.90369 -74.88425  32.90369 ?          ?        29.04349 14.44668 ?        ?        ?         ?        
1 1 1 34 22 5  o 74.69553 23.70801 68.07660   39.71135 68.07660   39.71135 ?          ?        74.69553 23.70801 ?        ?        ?         ?        
1 1 1 34 23 0  o 38.51162 24.91534 7.942269   43.68248 7.942269   43.68248 7.942269   43.68248 38.51162 24.91534 38.51162 24.91534 -0.000000 0.000000 
1 1 1 34 23 1  o 82.42028 20.39074 78.85539   33.47099 78.85539   33.47099 ?          ?        82.42028 20.39074 ?        ?        ?         ?        
1 1 1 34 23 2  o 40.31925 18.55219 -18.15376  34.60560 -18.15376  34.60560 ?          ?        40.31925 18.55219 ?        ?        ?         ?        
1 1 1 34 23 3  o 51.46903 20.96496 18.72106   34.03830 18.72106   34.03830 ?          ?        51.46903 20.96496 ?        ?        ?         ?        
1 1 1 34 23 4  o 62.20289 21.59559 43.11518   32.90369 43.11518   32.90369 ?          ?        62.20289 21.59559 ?        ?        ?         ?        
1 1 1 34 23 5  o 34.44825 16.57117 -40.84595  33.47099 -40.84595  33.47099 ?          ?        34.44825 16.57117 ?        ?        ?         ?        
1 1 1 34 24 0  o 134.0791 19.22744 195.7202   49.92284 195.7202   49.92284 195.7202   49.92284 134.0791 19.22744 134.0791 19.22744 -0.000000 0.000000 
1 1 1 34 24 1  o 37.29670 17.54682 -29.49986  34.03830 -29.49986  34.03830 ?          ?        37.29670 17.54682 ?        ?        ?         ?        
1 1 1 34 24 2  o 77.39378 20.54376 70.34581   32.33638 70.34581   32.33638 ?          ?        77.39378 20.54376 ?        ?        ?         ?        
1 1 1 34 24 3  o 63.09566 21.62530 44.81709   32.90369 44.81709   32.90369 ?          ?        63.09566 21.62530 ?        ?        ?         ?        
1 1 1 34 24 4  o 73.43673 21.45483 64.10546   33.47099 64.10546   33.47099 ?          ?        73.43673 21.45483 ?        ?        ?         ?        
1 1 1 34 24 5  o 72.89326 21.26459 63.53815   32.90369 63.53815   32.90369 ?          ?        72.89326 21.26459 ?        ?        ?         ?        
1 1 1 34 25 0  o 66.49447 33.50445 77.15348   54.46128 77.15348   54.46128 77.15348   54.46128 66.49447 33.50445 66.49447 33.50445 -0.000000 0.000000 
1 1 1 34 25 1  o 55.00901 20.46397 30.06716   30.06716 30.06716   30.06716 ?          ?        55.00901 20.46397 ?        ?        ?         ?        
1 1 1 34 25 2  o 45.42696 19.91898 0.5673050  34.60560 0.5673050  34.60560 ?          ?        45.42696 19.91898 ?        ?        ?         ?        
1 1 1 34 25 3  o 51.67303 20.67706 20.99029   32.33638 20.99029   32.33638 ?          ?        51.67303 20.67706 ?        ?        ?         ?        
1 1 1 34 25 4  o 53.77990 20.91836 26.66333   32.33638 26.66333   32.33638 ?          ?        53.77990 20.91836 ?        ?        ?         ?        
1 1 1 34 26 0  o 70.81802 31.75463 81.69191   47.65361 81.69191   47.65361 81.69191   47.65361 70.81802 31.75463 70.81802 31.75463 -0.000000 0.000000 
1 1 1 34 26 1  o 49.33820 20.62316 13.04801   34.03830 13.04801   34.03830 ?          ?        49.33820 20.62316 ?        ?        ?         ?        
1 1 1 34 26 2  o 53.62033 20.90561 25.52872   32.33638 25.52872   32.33638 ?          ?        53.62033 20.90561 ?        ?        ?         ?        
1 1 1 34 26 3  o 45.58691 19.70197 4.538440   32.90369 4.538440   32.90369 ?          ?        45.58691 19.70197 ?        ?        ?         ?        
1 1 1 34 26 4  o 49.40695 19.86833 18.72106   30.06716 18.72106   30.06716 ?          ?        49.40695 19.86833 ?        ?        ?         ?        
1 1 1 34 27 0  o 26.56225 19.20899 -64.67276  47.08631 -64.67276  47.08631 -64.67276  47.08631 26.56225 19.20899 26.56225 19.20899 -0.000000 0.000000 
1 1 1 34 27 1  o 49.12994 20.86195 10.21149   35.74022 10.21149   35.74022 ?          ?        49.12994 20.86195 ?        ?        ?         ?        
1 1 1 34 27 2  o 45.02407 19.12709 7.374964   30.06716 7.374964   30.06716 ?          ?        45.02407 19.12709 ?        ?        ?         ?        
1 1 1 34 27 3  f 59.50316 21.50110 38.57674   32.90369 38.57674   32.90369 ?          ?        59.50316 21.50110 ?        ?        ?         ?        
1 1 1 34 28 0  o 28.88866 20.31497 -32.90369  42.54787 -32.90369  42.54787 -32.90369  42.54787 28.88866 20.31497 28.88866 20.31497 -0.000000 0.000000 
1 1 1 34 28 1  o 28.67359 14.12163 -56.16319  28.93255 -56.16319  28.93255 ?          ?        28.67359 14.12163 ?        ?        ?         ?        
1 1 1 34 28 2  o 103.6603 15.32365 116.2975   31.76908 116.2975   31.76908 ?          ?        103.6603 15.32365 ?        ?        ?         ?        
1 1 1 34 28 3  o 61.41374 20.27846 43.11518   28.93255 43.11518   28.93255 ?          ?        61.41374 20.27846 ?        ?        ?         ?        
1 1 1 34 29 0  o 59.40811 29.66556 60.13433   42.54787 60.13433   42.54787 60.13433   42.54787 59.40811 29.66556 59.40811 29.66556 -0.000000 0.000000 
1 1 1 34 29 1  o 52.96722 20.96863 24.39412   32.90369 24.39412   32.90369 ?          ?        52.96722 20.96863 ?        ?        ?         ?        
1 1 1 34 29 2  f 63.44366 22.29882 45.95170   35.17290 45.95170   35.17290 ?          ?        63.44366 22.29882 ?        ?        ?         ?        
1 1 1 34 30 0  o 34.67883 23.21618 -4.538440  43.11518 -4.538440  43.11518 -4.538440  43.11518 34.67883 23.21618 34.67883 23.21618 -0.000000 0.000000 
1 1 1 34 30 1  o 39.77790 17.84522 -6.807660  29.49986 -6.807660  29.49986 ?          ?        39.77790 17.84522 ?        ?        ?         ?        
1 1 1 35 0  2  o 80.06982 37.40895 107.7879   66.37468 107.7879   66.37468 107.7879   66.37468 80.06982 37.40895 80.06982 37.40895 -0.000000 0.000000 
1 1 1 35 0  3  o 68.65691 38.20032 83.96114   76.58617 83.96114   76.58617 83.96114   76.58617 68.65691 38.20032 68.65691 38.20032 -0.000000 0.000000 
1 1 1 35 0  4  o 47.15044 31.71402 -5.105744  82.25922 -5.105744  82.25922 -5.105744  82.25922 47.15044 31.71402 47.15044 31.71402 -0.000000 0.000000 
1 1 1 35 0  5  o 146.3736 36.07280 280.8159   91.33610 280.8159   91.33610 280.8159   91.33610 146.3736 36.07280 146.3736 36.07280 -0.000000 0.000000 
1 1 1 35 0  6  f 38.35583 26.26785 -18.15376  60.70163 -18.15376  60.70163 -18.15376  60.70163 38.35583 26.26785 38.35583 26.26785 -0.000000 0.000000 
1 1 1 35 0  7  o 49.42612 31.40178 29.49986   65.80738 29.49986   65.80738 29.49986   65.80738 49.42612 31.40178 49.42612 31.40178 -0.000000 0.000000 
1 1 1 35 1  0  o 48.13017 30.44586 23.82681   61.26894 23.82681   61.26894 23.82681   61.26894 48.13017 30.44586 48.13017 30.44586 -0.000000 0.000000 
1 1 1 35 1  1  o 89.49109 32.75698 102.1149   76.58617 102.1149   76.58617 ?          ?        89.49109 32.75698 ?        ?        ?         ?        
1 1 1 35 1  2  o 46.31824 21.22846 -20.99029  44.81709 -20.99029  44.81709 ?          ?        46.31824 21.22846 ?        ?        ?         ?        
1 1 1 35 1  3  o 91.39511 29.91656 105.5187   62.97085 105.5187   62.97085 ?          ?        91.39511 29.91656 ?        ?        ?         ?        
1 1 1 35 1  4  o 59.79079 25.21478 20.99029   51.62476 20.99029   51.62476 ?          ?        59.79079 25.21478 ?        ?        ?         ?        
1 1 1 35 1  5  o 100.2654 25.86452 124.8071   52.19205 124.8071   52.19205 ?          ?        100.2654 25.86452 ?        ?        ?         ?        
1 1 1 35 1  6  o 78.22354 26.92585 76.01886   51.05745 76.01886   51.05745 ?          ?        78.22354 26.92585 ?        ?        ?         ?        
1 1 1 35 1  7  o 68.62301 27.41721 51.05745   56.73050 51.05745   56.73050 ?          ?        68.62301 27.41721 ?        ?        ?         ?        
1 1 1 35 2  0  o 51.94357 31.95926 36.30752   62.97085 36.30752   62.97085 36.30752   62.97085 51.94357 31.95926 51.94357 31.95926 -0.000000 0.000000 
1 1 1 35 2  1  o 73.47420 32.33731 28.36525   91.90340 28.36525   91.90340 ?          ?        73.47420 32.33731 ?        ?        ?         ?        
1 1 1 35 2  2  o 46.56720 21.55912 -27.23064  47.65361 -27.23064  47.65361 ?          ?        46.56720 21.55912 ?        ?        ?         ?        
1 1 1 35 2  3  o 73.08955 31.63737 34.03830   85.09574 34.03830   85.09574 ?          ?        73.08955 31.63737 ?        ?        ?         ?        
1 1 1 35 2  4  o 57.92595 24.92130 13.61532   52.19205 13.61532   52.19205 ?          ?        57.92595 24.92130 ?        ?        ?         ?        
1 1 1 35 2  5  o 56.12857 24.87432 2.836525   55.59589 2.836525   55.59589 ?          ?        56.12857 24.87432 ?        ?        ?         ?        
1 1 1 35 2  6  o 41.52633 20.01188 -57.29780  49.35553 -57.29780  49.35553 ?          ?        41.52633 20.01188 ?        ?        ?         ?        
1 1 1 35 2  7  o 52.10104 23.17186 1.134610   48.78823 1.134610   48.78823 ?          ?        52.10104 23.17186 ?        ?        ?         ?        
1 1 1 35 3  0  o 42.76284 28.61046 -4.538440  65.24007 -4.538440  65.24007 -4.538440  65.24007 42.76284 28.61046 42.76284 28.61046 -0.000000 0.000000 
1 1 1 35 3  1  o 42.34919 21.17458 -184.9414  77.15348 -184.9414  77.15348 ?          ?        42.34919 21.17458 ?        ?        ?         ?        
1 1 1 35 3  2  o 99.71529 28.81605 124.2398   60.70163 124.2398   60.70163 ?          ?        99.71529 28.81605 ?        ?        ?         ?        
1 1 1 35 3  3  o 57.90833 26.89244 -31.20177  74.88425 -31.20177  74.88425 ?          ?        57.90833 26.89244 ?        ?        ?         ?        
1 1 1 35 3  4  f 61.44568 25.07593 29.49986   48.78823 29.49986   48.78823 ?          ?        61.44568 25.07593 ?        ?        ?         ?        
1 1 1 35 3  5  o 65.06970 26.08921 39.71135   51.62476 39.71135   51.62476 ?          ?        65.06970 26.08921 ?        ?        ?         ?        
1 1 1 35 3  6  o 60.88458 26.41361 18.15376   59.56702 18.15376   59.56702 ?          ?        60.88458 26.41361 ?        ?        ?         ?        
1 1 1 35 3  7  o 83.99270 24.91335 89.06688   44.81709 89.06688   44.81709 ?          ?        83.99270 24.91335 ?        ?        ?         ?        
1 1 1 35 4  0  o 45.18715 32.00066 -77.72078  110.0572 -77.72078  110.0572 -77.72078  110.0572 45.18715 32.00066 45.18715 32.00066 -0.000000 0.000000 
1 1 1 35 4  1  o 55.10426 24.49554 -2.836525  54.46128 -2.836525  54.46128 ?          ?        55.10426 24.49554 ?        ?        ?         ?        
1 1 1 35 4  2  o 54.73948 24.58847 -8.509575  56.16319 -8.509575  56.16319 ?          ?        54.73948 24.58847 ?        ?        ?         ?        
1 1 1 35 4  3  o 66.22187 27.12489 35.74022   57.29780 35.74022   57.29780 ?          ?        66.22187 27.12489 ?        ?        ?         ?        
1 1 1 35 4  4  o 101.5954 23.12701 121.9706   45.95170 121.9706   45.95170 ?          ?        101.5954 23.12701 ?        ?        ?         ?        
1 1 1 35 4  5  o 120.7183 22.45615 171.3261   52.19205 171.3261   52.19205 ?          ?        120.7183 22.45615 ?        ?        ?         ?        
1 1 1 35 4  6  o 42.07445 20.72519 -98.14376  60.70163 -98.14376  60.70163 ?          ?        42.07445 20.72519 ?        ?        ?         ?        
1 1 1 35 4  7  o 110.9626 22.25734 147.4993   47.65361 147.4993   47.65361 ?          ?        110.9626 22.25734 ?        ?        ?         ?        
1 1 1 35 5  0  o 26.92165 20.23695 -340.9503  96.44185 -340.9503  96.44185 -340.9503  96.44185 26.92165 20.23695 26.92165 20.23695 -0.000000 0.000000 
1 1 1 35 5  1  o 56.03037 24.70387 1.701915   53.89397 1.701915   53.89397 ?          ?        56.03037 24.70387 ?        ?        ?         ?        
1 1 1 35 5  2  o 65.59086 25.53801 40.27865   48.22092 40.27865   48.22092 ?          ?        65.59086 25.53801 ?        ?        ?         ?        
1 1 1 35 5  3  o 98.34010 23.86100 115.1629   46.51900 115.1629   46.51900 ?          ?        98.34010 23.86100 ?        ?        ?         ?        
1 1 1 35 5  4  o 79.39108 28.65612 75.45156   58.43241 75.45156   58.43241 ?          ?        79.39108 28.65612 ?        ?        ?         ?        
1 1 1 35 5  5  o 88.40691 32.70556 105.5187   76.58617 105.5187   76.58617 ?          ?        88.40691 32.70556 ?        ?        ?         ?        
1 1 1 35 5  6  f 42.07415 20.15425 -49.92284  48.22092 -49.92284  48.22092 ?          ?        42.07415 20.15425 ?        ?        ?         ?        
1 1 1 35 5  7  f 93.69218 26.98726 114.5956   53.32666 114.5956   53.32666 ?          ?        93.69218 26.98726 ?        ?        ?         ?        
1 1 1 35 6  0  o 46.19120 32.02038 -36.30752  95.30723 -36.30752  95.30723 -36.30752  95.30723 46.19120 32.02038 46.19120 32.02038 -0.000000 0.000000 
1 1 1 35 6  1  o 122.7438 20.33619 166.2204   49.92284 166.2204   49.92284 ?          ?        122.7438 20.33619 ?        ?        ?         ?        
1 1 1 35 6  2  o 67.44551 27.89643 34.60560   61.26894 34.60560   61.26894 ?          ?        67.44551 27.89643 ?        ?        ?         ?        
1 1 1 35 6  3  o 71.12660 26.38706 55.59589   49.92284 55.59589   49.92284 ?          ?        71.12660 26.38706 ?        ?        ?         ?        
1 1 1 35 6  4  o 72.40575 30.69394 41.98057   77.15348 41.98057   77.15348 ?          ?        72.40575 30.69394 ?        ?        ?         ?        
1 1 1 35 6  5  o 50.89383 24.64205 -83.96114  77.72078 -83.96114  77.72078 ?          ?        50.89383 24.64205 ?        ?        ?         ?        
1 1 1 35 6  6  o 91.57712 25.83081 105.5187   49.35553 105.5187   49.35553 ?          ?        91.57712 25.83081 ?        ?        ?         ?        
1 1 1 35 6  7  o 63.07069 27.13035 27.23064   61.83624 27.23064   61.83624 ?          ?        63.07069 27.13035 ?        ?        ?         ?        
1 1 1 35 7  0  o 48.49003 33.18168 -22.12490  96.44185 -22.12490  96.44185 -22.12490  96.44185 48.49003 33.18168 48.49003 33.18168 -0.000000 0.000000 
1 1 1 35 7  1  o 121.3226 19.17161 160.5473   46.51900 160.5473   46.51900 ?          ?        121.3226 19.17161 ?        ?        ?         ?        
1 1 1 35 7  2  f 56.72084 25.67423 -11.34610  62.40355 -11.34610  62.40355 ?          ?        56.72084 25.67423 ?        ?        ?         ?        
1 1 1 35 7  3  o 55.42371 24.04385 8.509575   49.35553 8.509575   49.35553 ?          ?        55.42371 24.04385 ?        ?        ?         ?        
1 1 1 35 7  4  o 94.35095 26.73678 110.6245   52.75936 110.6245   52.75936 ?          ?        94.35095 26.73678 ?        ?        ?         ?        
1 1 1 35 7  5  o 47.72646 22.54788 -43.11518  57.29780 -43.11518  57.29780 ?          ?        47.72646 22.54788 ?        ?        ?         ?        
1 1 1 35 7  6  o 56.80612 24.47634 14.74993   50.49014 14.74993   50.49014 ?          ?        56.80612 24.47634 ?        ?        ?         ?        
1 1 1 35 7  7  o 70.89951 27.88930 57.29780   57.86510 57.29780   57.86510 ?          ?        70.89951 27.88930 ?        ?        ?         ?        
1 1 1 35 8  0  o 65.92244 39.66980 72.04772   92.47070 72.04772   92.47070 72.04772   92.47070 65.92244 39.66980 65.92244 39.66980 -0.000000 0.000000 
1 1 1 35 8  1  o 81.00774 25.28629 77.72078   45.38440 77.72078   45.38440 ?          ?        81.00774 25.28629 ?        ?        ?         ?        
1 1 1 35 8  2  o 52.84106 22.99183 4.538440   45.38440 4.538440   45.38440 ?          ?        52.84106 22.99183 ?        ?        ?         ?        
1 1 1 35 8  3  o 59.12868 25.64979 12.48071   56.16319 12.48071   56.16319 ?          ?        59.12868 25.64979 ?        ?        ?         ?        
1 1 1 35 8  4  o 56.58000 24.56858 9.644185   51.62476 9.644185   51.62476 ?          ?        56.58000 24.56858 ?        ?        ?         ?        
1 1 1 35 8  5  o 55.12399 23.53843 14.74993   45.95170 14.74993   45.95170 ?          ?        55.12399 23.53843 ?        ?        ?         ?        
1 1 1 35 8  6  o 91.14039 25.87049 104.9514   49.35553 104.9514   49.35553 ?          ?        91.14039 25.87049 ?        ?        ?         ?        
1 1 1 35 9  0  o 112.9396 36.50722 178.1338   72.61504 178.1338   72.61504 178.1338   72.61504 112.9396 36.50722 112.9396 36.50722 -0.000000 0.000000 
1 1 1 35 9  1  o 82.52327 28.51249 81.69191   57.29780 81.69191   57.29780 ?          ?        82.52327 28.51249 ?        ?        ?         ?        
1 1 1 35 9  2  f 92.18493 25.97130 103.8168   49.92284 103.8168   49.92284 ?          ?        92.18493 25.97130 ?        ?        ?         ?        
1 1 1 35 9  3  o 71.26830 26.75449 55.59589   51.62476 55.59589   51.62476 ?          ?        71.26830 26.75449 ?        ?        ?         ?        
1 1 1 35 9  4  o 74.88638 29.07349 62.40355   62.40355 62.40355   62.40355 ?          ?        74.88638 29.07349 ?        ?        ?         ?        
1 1 1 35 9  5  o 34.87695 17.17756 -77.72078  42.54787 -77.72078  42.54787 ?          ?        34.87695 17.17756 ?        ?        ?         ?        
1 1 1 35 9  6  o 89.14643 25.25734 99.84568   47.08631 99.84568   47.08631 ?          ?        89.14643 25.25734 ?        ?        ?         ?        
1 1 1 35 10 0  o 72.54162 35.70018 89.63419   61.26894 89.63419   61.26894 89.63419   61.26894 72.54162 35.70018 72.54162 35.70018 -0.000000 0.000000 
1 1 1 35 10 1  o 132.8222 36.78115 247.3450   100.9803 247.3450   100.9803 ?          ?        132.8222 36.78115 ?        ?        ?         ?        
1 1 1 35 10 2  o 44.59515 20.59281 -23.25950  43.11518 -23.25950  43.11518 ?          ?        44.59515 20.59281 ?        ?        ?         ?        
1 1 1 35 10 3  o 67.35641 25.80763 46.51900   48.78823 46.51900   48.78823 ?          ?        67.35641 25.80763 ?        ?        ?         ?        
1 1 1 35 10 4  o 83.54672 24.74986 85.09574   44.24979 85.09574   44.24979 ?          ?        83.54672 24.74986 ?        ?        ?         ?        
1 1 1 35 10 5  o 84.76366 25.80153 90.20149   47.65361 90.20149   47.65361 ?          ?        84.76366 25.80153 ?        ?        ?         ?        
1 1 1 35 10 6  o 57.18398 23.28613 26.66333   41.98057 26.66333   41.98057 ?          ?        57.18398 23.28613 ?        ?        ?         ?        
1 1 1 35 11 0  o 43.83490 31.10957 -79.99000  105.5187 -79.99000  105.5187 -79.99000  105.5187 43.83490 31.10957 43.83490 31.10957 -0.000000 0.000000 
1 1 1 35 11 1  o 40.44813 20.65192 -309.1812  91.33610 -309.1812  91.33610 ?          ?        40.44813 20.65192 ?        ?        ?         ?        
1 1 1 35 11 2  o 64.78728 27.33279 28.36525   60.70163 28.36525   60.70163 ?          ?        64.78728 27.33279 ?        ?        ?         ?        
1 1 1 35 11 3  o 71.35799 25.30441 57.86510   45.38440 57.86510   45.38440 ?          ?        71.35799 25.30441 ?        ?        ?         ?        
1 1 1 35 11 4  o 51.84039 22.62905 5.105744   44.24979 5.105744   44.24979 ?          ?        51.84039 22.62905 ?        ?        ?         ?        
1 1 1 35 11 5  o 45.43443 20.87973 -18.72106  43.68248 -18.72106  43.68248 ?          ?        45.43443 20.87973 ?        ?        ?         ?        
1 1 1 35 11 6  o 57.64176 24.01942 24.39412   45.95170 24.39412   45.95170 ?          ?        57.64176 24.01942 ?        ?        ?         ?        
1 1 1 35 12 0  o 35.59266 26.10003 -167.9223  100.4130 -167.9223  100.4130 -167.9223  100.4130 35.59266 26.10003 35.59266 26.10003 -0.000000 0.000000 
1 1 1 35 12 1  o 109.9139 30.78512 158.2781   70.34581 158.2781   70.34581 ?          ?        109.9139 30.78512 ?        ?        ?         ?        
1 1 1 35 12 2  o 56.09106 24.11226 11.91340   48.78823 11.91340   48.78823 ?          ?        56.09106 24.11226 ?        ?        ?         ?        
1 1 1 35 12 3  o 35.58516 17.74147 -117.4321  51.05745 -117.4321  51.05745 ?          ?        35.58516 17.74147 ?        ?        ?         ?        
1 1 1 35 12 4  o 89.12791 25.25902 98.71106   47.08631 98.71106   47.08631 ?          ?        89.12791 25.25902 ?        ?        ?         ?        
1 1 1 35 12 5  o 54.66174 23.29052 14.74993   44.81709 14.74993   44.81709 ?          ?        54.66174 23.29052 ?        ?        ?         ?        
1 1 1 35 12 6  f 43.81851 20.26690 -20.42298  41.98057 -20.42298  41.98057 ?          ?        43.81851 20.26690 ?        ?        ?         ?        
1 1 1 35 13 1  o 56.37545 24.65810 6.807660   52.75936 6.807660   52.75936 ?          ?        56.37545 24.65810 ?        ?        ?         ?        
1 1 1 35 13 2  o 74.51276 26.79747 64.10546   51.05745 64.10546   51.05745 ?          ?        74.51276 26.79747 ?        ?        ?         ?        
1 1 1 35 13 3  o 64.34357 25.41208 39.14404   48.22092 39.14404   48.22092 ?          ?        64.34357 25.41208 ?        ?        ?         ?        
1 1 1 35 13 4  o 35.89673 17.61256 -72.61504  43.11518 -72.61504  43.11518 ?          ?        35.89673 17.61256 ?        ?        ?         ?        
1 1 1 35 13 5  o 51.04604 22.00494 8.509575   40.84595 8.509575   40.84595 ?          ?        51.04604 22.00494 ?        ?        ?         ?        
1 1 1 35 13 6  o 52.29896 20.63553 23.82681   31.76908 23.82681   31.76908 ?          ?        52.29896 20.63553 ?        ?        ?         ?        
1 1 1 35 14 0  o 57.11906 37.35091 29.49986   101.5476 29.49986   101.5476 29.49986   101.5476 57.11906 37.35091 57.11906 37.35091 -0.000000 0.000000 
1 1 1 35 14 1  o 66.58718 25.61771 44.81709   48.22092 44.81709   48.22092 ?          ?        66.58718 25.61771 ?        ?        ?         ?        
1 1 1 35 14 2  f 64.20990 24.82167 40.27865   45.38440 40.27865   45.38440 ?          ?        64.20990 24.82167 ?        ?        ?         ?        
1 1 1 35 14 3  o 46.85513 21.69038 -24.39412  48.22092 -24.39412  48.22092 ?          ?        46.85513 21.69038 ?        ?        ?         ?        
1 1 1 35 14 4  o 34.87593 17.17706 -77.72078  42.54787 -77.72078  42.54787 ?          ?        34.87593 17.17706 ?        ?        ?         ?        
1 1 1 35 14 5  o 63.02846 23.76911 41.98057   40.84595 41.98057   40.84595 ?          ?        63.02846 23.76911 ?        ?        ?         ?        
1 1 1 35 14 6  o 35.23132 16.92389 -40.84595  34.60560 -40.84595  34.60560 ?          ?        35.23132 16.92389 ?        ?        ?         ?        
1 1 1 35 15 0  o 44.48685 31.36335 -65.24007  102.6822 -65.24007  102.6822 -65.24007  102.6822 44.48685 31.36335 44.48685 31.36335 -0.000000 0.000000 
1 1 1 35 15 1  o 78.38469 26.17937 73.74965   48.22092 73.74965   48.22092 ?          ?        78.38469 26.17937 ?        ?        ?         ?        
1 1 1 35 15 2  o 52.15616 22.84078 3.403830   45.38440 3.403830   45.38440 ?          ?        52.15616 22.84078 ?        ?        ?         ?        
1 1 1 35 15 3  o 35.17481 17.22489 -68.07660  40.84595 -68.07660  40.84595 ?          ?        35.17481 17.22489 ?        ?        ?         ?        
1 1 1 35 15 4  o 85.07412 23.76693 88.49958   41.98057 88.49958   41.98057 ?          ?        85.07412 23.76693 ?        ?        ?         ?        
1 1 1 35 15 5  o 36.97594 17.89642 -54.46128  40.84595 -54.46128  40.84595 ?          ?        36.97594 17.89642 ?        ?        ?         ?        
1 1 1 35 16 0  o 48.67647 30.14386 30.06716   56.73050 30.06716   56.73050 30.06716   56.73050 48.67647 30.14386 48.67647 30.14386 -0.000000 0.000000 
1 1 1 35 16 1  o 59.37623 25.42722 17.01915   53.89397 17.01915   53.89397 ?          ?        59.37623 25.42722 ?        ?        ?         ?        
1 1 1 35 16 2  o 118.8647 23.26116 167.3549   53.32666 167.3549   53.32666 ?          ?        118.8647 23.26116 ?        ?        ?         ?        
1 1 1 35 16 3  o 67.96775 25.87556 50.49014   48.78823 50.49014   48.78823 ?          ?        67.96775 25.87556 ?        ?        ?         ?        
1 1 1 35 16 4  o 76.50501 24.91698 71.48043   43.68248 71.48043   43.68248 ?          ?        76.50501 24.91698 ?        ?        ?         ?        
1 1 1 35 16 5  o 81.58749 24.67689 83.39383   43.68248 83.39383   43.68248 ?          ?        81.58749 24.67689 ?        ?        ?         ?        
1 1 1 35 17 0  o 25.40204 18.75136 -123.1052  57.29780 -123.1052  57.29780 -123.1052  57.29780 25.40204 18.75136 25.40204 18.75136 -0.000000 0.000000 
1 1 1 35 17 1  o 43.80906 20.31636 -24.39412  42.54787 -24.39412  42.54787 ?          ?        43.80906 20.31636 ?        ?        ?         ?        
1 1 1 35 17 2  o 48.87159 22.26246 -14.18262  48.22092 -14.18262  48.22092 ?          ?        48.87159 22.26246 ?        ?        ?         ?        
1 1 1 35 17 3  o 69.36888 26.55637 53.32666   51.62476 53.32666   51.62476 ?          ?        69.36888 26.55637 ?        ?        ?         ?        
1 1 1 35 17 4  o 61.71436 24.24577 36.87482   43.68248 36.87482   43.68248 ?          ?        61.71436 24.24577 ?        ?        ?         ?        
1 1 1 35 17 5  o 63.25893 24.96723 40.84595   46.51900 40.84595   46.51900 ?          ?        63.25893 24.96723 ?        ?        ?         ?        
1 1 1 35 18 0  o 67.86292 34.32703 80.55730   57.29780 80.55730   57.29780 80.55730   57.29780 67.86292 34.32703 67.86292 34.32703 -0.000000 0.000000 
1 1 1 35 18 1  o 128.3290 14.80936 175.8645   38.00943 175.8645   38.00943 ?          ?        128.3290 14.80936 ?        ?        ?         ?        
1 1 1 35 18 2  o 65.35577 24.33743 46.51900   42.54787 46.51900   42.54787 ?          ?        65.35577 24.33743 ?        ?        ?         ?        
1 1 1 35 18 3  o 44.74118 21.20681 -42.54787  51.05745 -42.54787  51.05745 ?          ?        44.74118 21.20681 ?        ?        ?         ?        
1 1 1 35 18 4  o 50.42577 22.28899 1.134610   44.24979 1.134610   44.24979 ?          ?        50.42577 22.28899 ?        ?        ?         ?        
1 1 1 35 18 5  o 36.13296 17.59763 -59.56702  40.84595 -59.56702  40.84595 ?          ?        36.13296 17.59763 ?        ?        ?         ?        
1 1 1 35 19 0  o 63.39786 32.04782 69.21120   49.92284 69.21120   49.92284 69.21120   49.92284 63.39786 32.04782 63.39786 32.04782 -0.000000 0.000000 
1 1 1 35 19 1  o 29.68107 14.71553 -69.77851  32.90369 -69.77851  32.90369 ?          ?        29.68107 14.71553 ?        ?        ?         ?        
1 1 1 35 19 2  o 82.59233 24.42117 83.96114   43.11518 83.96114   43.11518 ?          ?        82.59233 24.42117 ?        ?        ?         ?        
1 1 1 35 19 3  o 54.95376 22.84474 19.85567   41.41326 19.85567   41.41326 ?          ?        54.95376 22.84474 ?        ?        ?         ?        
1 1 1 35 19 4  o 45.68874 21.80013 -47.08631  55.02858 -47.08631  55.02858 ?          ?        45.68874 21.80013 ?        ?        ?         ?        
1 1 1 35 20 0  o 59.12924 31.62162 60.70163   50.49014 60.70163   50.49014 60.70163   50.49014 59.12924 31.62162 59.12924 31.62162 -0.000000 0.000000 
1 1 1 35 20 1  o 50.07967 21.22415 11.34610   36.87482 11.34610   36.87482 ?          ?        50.07967 21.22415 ?        ?        ?         ?        
1 1 1 35 20 2  o 46.40577 21.65917 -28.36525  49.35553 -28.36525  49.35553 ?          ?        46.40577 21.65917 ?        ?        ?         ?        
1 1 1 35 20 3  o 39.28092 18.78288 -43.11518  41.41326 -43.11518  41.41326 ?          ?        39.28092 18.78288 ?        ?        ?         ?        
1 1 1 35 20 4  o 66.57860 25.18060 49.92284   45.95170 49.92284   45.95170 ?          ?        66.57860 25.18060 ?        ?        ?         ?        
1 1 1 35 21 0  o 95.19274 29.66185 123.1052   49.35553 123.1052   49.35553 123.1052   49.35553 95.19274 29.66185 95.19274 29.66185 -0.000000 0.000000 
1 1 1 35 21 1  o 63.87158 22.14974 45.95170   34.60560 45.95170   34.60560 ?          ?        63.87158 22.14974 ?        ?        ?         ?        
1 1 1 35 21 2  o 42.48864 19.38519 -14.74993  36.87482 -14.74993  36.87482 ?          ?        42.48864 19.38519 ?        ?        ?         ?        
1 1 1 35 21 3  o 76.71312 22.77498 71.48043   37.44213 71.48043   37.44213 ?          ?        76.71312 22.77498 ?        ?        ?         ?        
1 1 1 35 21 4  o 45.98351 20.79501 -8.509575  40.84595 -8.509575  40.84595 ?          ?        45.98351 20.79501 ?        ?        ?         ?        
1 1 1 35 22 0  o 55.08012 30.44747 51.62476   48.22092 51.62476   48.22092 51.62476   48.22092 55.08012 30.44747 55.08012 30.44747 -0.000000 0.000000 
1 1 1 35 22 1  o 60.87592 22.51915 39.14404   36.30752 39.14404   36.30752 ?          ?        60.87592 22.51915 ?        ?        ?         ?        
1 1 1 35 22 2  o 78.72369 21.15996 73.74965   34.03830 73.74965   34.03830 ?          ?        78.72369 21.15996 ?        ?        ?         ?        
1 1 1 35 22 3  o 91.01112 21.50783 99.27837   38.57674 99.27837   38.57674 ?          ?        91.01112 21.50783 ?        ?        ?         ?        
1 1 1 35 23 0  o 32.83114 22.80863 -26.09603  49.35553 -26.09603  49.35553 -26.09603  49.35553 32.83114 22.80863 32.83114 22.80863 -0.000000 0.000000 
1 1 1 35 23 1  o 51.10485 21.03108 17.58645   34.60560 17.58645   34.60560 ?          ?        51.10485 21.03108 ?        ?        ?         ?        
1 1 1 35 23 2  o 44.51657 19.55427 0.5673050  33.47099 0.5673050  33.47099 ?          ?        44.51657 19.55427 ?        ?        ?         ?        
1 1 1 35 23 3  o 57.74613 21.56955 34.60560   33.47099 34.60560   33.47099 ?          ?        57.74613 21.56955 ?        ?        ?         ?        
1 1 1 35 24 0  o 66.60724 33.07093 77.72078   52.75936 77.72078   52.75936 77.72078   52.75936 66.60724 33.07093 66.60724 33.07093 -0.000000 0.000000 
1 1 1 35 24 1  o 27.29606 13.60964 -72.04772  30.06716 -72.04772  30.06716 ?          ?        27.29606 13.60964 ?        ?        ?         ?        
1 1 1 35 24 2  o 35.53868 17.03564 -39.14404  34.60560 -39.14404  34.60560 ?          ?        35.53868 17.03564 ?        ?        ?         ?        
1 1 1 35 25 0  o 45.02859 27.83725 26.66333   48.22092 26.66333   48.22092 26.66333   48.22092 45.02859 27.83725 45.02859 27.83725 -0.000000 0.000000 
1 1 1 35 25 1  o 59.62841 21.67191 38.57674   33.47099 38.57674   33.47099 ?          ?        59.62841 21.67191 ?        ?        ?         ?        
1 1 1 36 0  0  o 33.04584 24.28530 -180.9703  90.76879 -180.9703  90.76879 -180.9703  90.76879 33.04584 24.28530 33.04584 24.28530 -0.000000 0.000000 
1 1 1 36 0  1  o 39.32979 27.68570 -54.46128  79.42269 -54.46128  79.42269 -54.46128  79.42269 39.32979 27.68570 39.32979 27.68570 -0.000000 0.000000 
1 1 1 36 0  2  o 59.20100 36.41276 55.02858   81.69191 55.02858   81.69191 55.02858   81.69191 59.20100 36.41276 59.20100 36.41276 -0.000000 0.000000 
1 1 1 36 0  3  o 40.22212 28.80531 -87.93227  96.44185 -87.93227  96.44185 -87.93227  96.44185 40.22212 28.80531 40.22212 28.80531 -0.000000 0.000000 
1 1 1 36 0  4  o 172.5809 24.79902 335.8446   82.82652 335.8446   82.82652 335.8446   82.82652 172.5809 24.79902 172.5809 24.79902 -0.000000 0.000000 
1 1 1 36 0  5  o 50.28804 31.47841 34.03830   63.53815 34.03830   63.53815 34.03830   63.53815 50.28804 31.47841 50.28804 31.47841 -0.000000 0.000000 
1 1 1 36 1  0  o 27.40676 20.22646 -140.1243  66.37468 -140.1243  66.37468 -140.1243  66.37468 27.40676 20.22646 27.40676 20.22646 -0.000000 0.000000 
1 1 1 36 1  1  o 78.87745 29.12961 74.31695   60.70163 74.31695   60.70163 ?          ?        78.87745 29.12961 ?        ?        ?         ?        
1 1 1 36 1  2  o 69.70812 31.09953 19.85567   88.49958 19.85567   88.49958 ?          ?        69.70812 31.09953 ?        ?        ?         ?        
1 1 1 36 1  3  o 61.06465 25.75803 25.52872   53.89397 25.52872   53.89397 ?          ?        61.06465 25.75803 ?        ?        ?         ?        
1 1 1 36 1  4  o 48.08770 22.57329 -35.74022  55.59589 -35.74022  55.59589 ?          ?        48.08770 22.57329 ?        ?        ?         ?        
1 1 1 36 1  5  o 54.81180 24.77114 -3.403830  57.86510 -3.403830  57.86510 ?          ?        54.81180 24.77114 ?        ?        ?         ?        
1 1 1 36 2  0  f 36.31884 25.36521 -40.27865  64.10546 -40.27865  64.10546 -40.27865  64.10546 36.31884 25.36521 36.31884 25.36521 -0.000000 0.000000 
1 1 1 36 2  1  o 35.56648 17.62618 -95.87454  47.08631 -95.87454  47.08631 ?          ?        35.56648 17.62618 ?        ?        ?         ?        
1 1 1 36 2  2  o 111.5839 35.26460 180.4030   87.93227 180.4030   87.93227 ?          ?        111.5839 35.26460 ?        ?        ?         ?        
1 1 1 36 2  3  o 70.93909 26.37319 57.86510   49.92284 57.86510   49.92284 ?          ?        70.93909 26.37319 ?        ?        ?         ?        
1 1 1 36 2  4  o 71.34432 28.65102 53.89397   62.40355 53.89397   62.40355 ?          ?        71.34432 28.65102 ?        ?        ?         ?        
1 1 1 36 2  5  o 64.23150 26.87154 35.17290   57.86510 35.17290   57.86510 ?          ?        64.23150 26.87154 ?        ?        ?         ?        
1 1 1 36 3  0  o 48.05596 29.56680 30.06716   53.89397 30.06716   53.89397 30.06716   53.89397 48.05596 29.56680 48.05596 29.56680 -0.000000 0.000000 
1 1 1 36 3  1  o 87.81915 30.89023 99.84568   67.50929 99.84568   67.50929 ?          ?        87.81915 30.89023 ?        ?        ?         ?        
1 1 1 36 3  2  o 69.66621 30.25311 32.33638   78.28809 32.33638   78.28809 ?          ?        69.66621 30.25311 ?        ?        ?         ?        
1 1 1 36 3  3  o 57.22942 24.02540 20.99029   46.51900 20.99029   46.51900 ?          ?        57.22942 24.02540 ?        ?        ?         ?        
1 1 1 36 3  4  o 65.78387 28.73790 24.39412   71.48043 24.39412   71.48043 ?          ?        65.78387 28.73790 ?        ?        ?         ?        
1 1 1 36 3  5  o 41.73910 20.20668 -64.10546  52.19205 -64.10546  52.19205 ?          ?        41.73910 20.20668 ?        ?        ?         ?        
1 1 1 36 4  0  o 78.51279 42.65154 118.5667   93.03801 118.5667   93.03801 118.5667   93.03801 78.51279 42.65154 78.51279 42.65154 -0.000000 0.000000 
1 1 1 36 4  1  o 92.03040 29.32184 109.4899   60.70163 109.4899   60.70163 ?          ?        92.03040 29.32184 ?        ?        ?         ?        
1 1 1 36 4  2  o 111.8895 29.12739 162.8165   65.80738 162.8165   65.80738 ?          ?        111.8895 29.12739 ?        ?        ?         ?        
1 1 1 36 4  3  f 45.34452 21.16058 -27.79794  47.08631 -27.79794  47.08631 ?          ?        45.34452 21.16058 ?        ?        ?         ?        
1 1 1 36 4  4  o 57.57754 27.81779 -81.69191  97.00916 -81.69191  97.00916 ?          ?        57.57754 27.81779 ?        ?        ?         ?        
1 1 1 36 4  5  o 54.92513 23.86756 11.91340   48.78823 11.91340   48.78823 ?          ?        54.92513 23.86756 ?        ?        ?         ?        
1 1 1 36 5  0  o 78.58363 42.66260 119.1340   93.03801 119.1340   93.03801 119.1340   93.03801 78.58363 42.66260 78.58363 42.66260 -0.000000 0.000000 
1 1 1 36 5  1  o 66.13737 25.02147 45.95170   45.38440 45.95170   45.38440 ?          ?        66.13737 25.02147 ?        ?        ?         ?        
1 1 1 36 5  2  o 46.10237 22.23664 -67.50929  61.26894 -67.50929  61.26894 ?          ?        46.10237 22.23664 ?        ?        ?         ?        
1 1 1 36 5  3  o 43.35262 20.73212 -49.35553  50.49014 -49.35553  50.49014 ?          ?        43.35262 20.73212 ?        ?        ?         ?        
1 1 1 36 5  4  o 55.05623 23.67840 13.04801   47.08631 13.04801   47.08631 ?          ?        55.05623 23.67840 ?        ?        ?         ?        
1 1 1 36 5  5  o 61.79579 26.11861 28.93255   55.59589 28.93255   55.59589 ?          ?        61.79579 26.11861 ?        ?        ?         ?        
1 1 1 36 6  0  o 38.51620 27.50603 -79.42269  86.23035 -79.42269  86.23035 -79.42269  86.23035 38.51620 27.50603 38.51620 27.50603 -0.000000 0.000000 
1 1 1 36 6  1  o 69.25044 26.22995 52.19205   49.92284 52.19205   49.92284 ?          ?        69.25044 26.22995 ?        ?        ?         ?        
1 1 1 36 6  2  o 52.28866 24.63244 -42.54787  67.50929 -42.54787  67.50929 ?          ?        52.28866 24.63244 ?        ?        ?         ?        
1 1 1 36 6  3  o 81.92940 27.23602 85.09574   52.19205 85.09574   52.19205 ?          ?        81.92940 27.23602 ?        ?        ?         ?        
1 1 1 36 6  4  o 77.39308 28.58024 73.74965   58.43241 73.74965   58.43241 ?          ?        77.39308 28.58024 ?        ?        ?         ?        
1 1 1 36 6  5  o 44.58394 21.73785 -81.69191  62.97085 -81.69191  62.97085 ?          ?        44.58394 21.73785 ?        ?        ?         ?        
1 1 1 36 7  0  o 38.97172 27.89816 -85.66305  90.20149 -85.66305  90.20149 -85.66305  90.20149 38.97172 27.89816 38.97172 27.89816 -0.000000 0.000000 
1 1 1 36 7  1  o 54.55097 24.19617 1.134610   52.75936 1.134610   52.75936 ?          ?        54.55097 24.19617 ?        ?        ?         ?        
1 1 1 36 7  2  o 44.61001 21.55904 -68.07660  58.43241 -68.07660  58.43241 ?          ?        44.61001 21.55904 ?        ?        ?         ?        
1 1 1 36 7  3  o 66.68917 27.27795 41.41326   57.86510 41.41326   57.86510 ?          ?        66.68917 27.27795 ?        ?        ?         ?        
1 1 1 36 7  4  o 38.53548 18.97876 -91.90340  52.19205 -91.90340  52.19205 ?          ?        38.53548 18.97876 ?        ?        ?         ?        
1 1 1 36 7  5  o 67.74892 30.82748 14.74993   91.90340 14.74993   91.90340 ?          ?        67.74892 30.82748 ?        ?        ?         ?        
1 1 1 36 8  0  o 48.98077 31.84912 18.72106   72.61504 18.72106   72.61504 18.72106   72.61504 48.98077 31.84912 48.98077 31.84912 -0.000000 0.000000 
1 1 1 36 8  1  o 64.46137 24.61290 43.11518   44.24979 43.11518   44.24979 ?          ?        64.46137 24.61290 ?        ?        ?         ?        
1 1 1 36 8  2  o 61.91951 28.28677 -6.807660  78.85539 -6.807660  78.85539 ?          ?        61.91951 28.28677 ?        ?        ?         ?        
1 1 1 36 8  3  o 99.08676 27.79385 127.0763   57.29780 127.0763   57.29780 ?          ?        99.08676 27.79385 ?        ?        ?         ?        
1 1 1 36 8  4  o 63.44831 25.73497 36.87482   51.05745 36.87482   51.05745 ?          ?        63.44831 25.73497 ?        ?        ?         ?        
1 1 1 36 8  5  o 67.74142 29.72253 31.76908   77.15348 31.76908   77.15348 ?          ?        67.74142 29.72253 ?        ?        ?         ?        
1 1 1 36 9  0  o 41.33016 27.26420 4.538440   55.59589 4.538440   55.59589 4.538440   55.59589 41.33016 27.26420 41.33016 27.26420 -0.000000 0.000000 
1 1 1 36 9  1  o 46.87021 21.38070 -15.31723  44.81709 -15.31723  44.81709 ?          ?        46.87021 21.38070 ?        ?        ?         ?        
1 1 1 36 9  2  o 79.72100 31.69184 77.72078   75.45156 77.72078   75.45156 ?          ?        79.72100 31.69184 ?        ?        ?         ?        
1 1 1 36 9  3  o 116.2080 22.27445 159.4127   49.92284 159.4127   49.92284 ?          ?        116.2080 22.27445 ?        ?        ?         ?        
1 1 1 36 9  4  o 63.02056 27.66828 19.28837   66.94199 19.28837   66.94199 ?          ?        63.02056 27.66828 ?        ?        ?         ?        
1 1 1 36 9  5  o 65.50158 25.75991 45.38440   49.35553 45.38440   49.35553 ?          ?        65.50158 25.75991 ?        ?        ?         ?        
1 1 1 36 10 0  o 50.29340 33.86014 1.134610   94.17262 1.134610   94.17262 1.134610   94.17262 50.29340 33.86014 50.29340 33.86014 -0.000000 0.000000 
1 1 1 36 10 1  o 66.46761 26.57143 43.68248   53.32666 43.68248   53.32666 ?          ?        66.46761 26.57143 ?        ?        ?         ?        
1 1 1 36 10 2  o 73.93024 26.23419 65.80738   48.78823 65.80738   48.78823 ?          ?        73.93024 26.23419 ?        ?        ?         ?        
1 1 1 36 10 3  o 56.36617 23.36299 22.12490   43.11518 22.12490   43.11518 ?          ?        56.36617 23.36299 ?        ?        ?         ?        
1 1 1 36 10 4  o 54.01174 23.38572 11.34610   46.51900 11.34610   46.51900 ?          ?        54.01174 23.38572 ?        ?        ?         ?        
1 1 1 36 10 5  o 99.53642 22.22577 119.1340   43.11518 119.1340   43.11518 ?          ?        99.53642 22.22577 ?        ?        ?         ?        
1 1 1 36 11 0  o 42.83031 29.75476 -33.47099  83.96114 -33.47099  83.96114 -33.47099  83.96114 42.83031 29.75476 42.83031 29.75476 -0.000000 0.000000 
1 1 1 36 11 1  o 90.61085 24.24647 100.9803   44.81709 100.9803   44.81709 ?          ?        90.61085 24.24647 ?        ?        ?         ?        
1 1 1 36 11 2  o 48.69733 22.30151 -17.01915  49.35553 -17.01915  49.35553 ?          ?        48.69733 22.30151 ?        ?        ?         ?        
1 1 1 36 11 3  o 61.68356 25.39713 31.20177   50.49014 31.20177   50.49014 ?          ?        61.68356 25.39713 ?        ?        ?         ?        
1 1 1 36 11 4  o 41.79712 19.96717 -44.24979  46.51900 -44.24979  46.51900 ?          ?        41.79712 19.96717 ?        ?        ?         ?        
1 1 1 36 12 0  f 72.61482 41.84251 104.3841   95.87454 104.3841   95.87454 104.3841   95.87454 72.61482 41.84251 72.61482 41.84251 -0.000000 0.000000 
1 1 1 36 12 1  o 101.0619 31.16220 140.1243   69.21120 140.1243   69.21120 ?          ?        101.0619 31.16220 ?        ?        ?         ?        
1 1 1 36 12 2  o 56.55819 24.94620 6.807660   55.02858 6.807660   55.02858 ?          ?        56.55819 24.94620 ?        ?        ?         ?        
1 1 1 36 12 3  o 56.64791 23.50022 22.69220   43.68248 22.69220   43.68248 ?          ?        56.64791 23.50022 ?        ?        ?         ?        
1 1 1 36 12 4  f 54.11760 22.77602 18.15376   41.98057 18.15376   41.98057 ?          ?        54.11760 22.77602 ?        ?        ?         ?        
1 1 1 36 13 0  o 58.23895 36.83321 48.78823   89.63419 48.78823   89.63419 48.78823   89.63419 58.23895 36.83321 58.23895 36.83321 -0.000000 0.000000 
1 1 1 36 13 1  f 74.97240 32.96405 45.38440   95.30723 45.38440   95.30723 ?          ?        74.97240 32.96405 ?        ?        ?         ?        
1 1 1 36 13 2  o 65.79583 25.20302 45.95170   46.51900 45.95170   46.51900 ?          ?        65.79583 25.20302 ?        ?        ?         ?        
1 1 1 36 13 3  o 76.59335 26.87146 73.18234   51.05745 73.18234   51.05745 ?          ?        76.59335 26.87146 ?        ?        ?         ?        
1 1 1 36 13 4  o 53.27466 23.49469 5.673049   48.78823 5.673049   48.78823 ?          ?        53.27466 23.49469 ?        ?        ?         ?        
1 1 1 36 14 1  o 52.26307 22.93464 4.538440   45.95170 4.538440   45.95170 ?          ?        52.26307 22.93464 ?        ?        ?         ?        
1 1 1 36 14 2  o 44.96103 20.69641 -19.28837  43.11518 -19.28837  43.11518 ?          ?        44.96103 20.69641 ?        ?        ?         ?        
1 1 1 36 14 3  o 47.83573 23.18304 -77.15348  69.21120 -77.15348  69.21120 ?          ?        47.83573 23.18304 ?        ?        ?         ?        
1 1 1 36 14 4  o 45.88056 21.26408 -22.12490  46.51900 -22.12490  46.51900 ?          ?        45.88056 21.26408 ?        ?        ?         ?        
1 1 1 36 15 0  o 45.46420 29.44623 15.88454   61.26894 15.88454   61.26894 15.88454   61.26894 45.46420 29.44623 45.46420 29.44623 -0.000000 0.000000 
1 1 1 36 15 1  o 39.61497 19.28182 -68.64390  48.78823 -68.64390  48.78823 ?          ?        39.61497 19.28182 ?        ?        ?         ?        
1 1 1 36 15 2  o 83.81022 26.04518 89.06688   48.22092 89.06688   48.22092 ?          ?        83.81022 26.04518 ?        ?        ?         ?        
1 1 1 36 15 3  o 57.87846 25.25018 14.74993   55.02858 14.74993   55.02858 ?          ?        57.87846 25.25018 ?        ?        ?         ?        
1 1 1 36 16 0  o 56.82896 32.49044 55.59589   57.29780 55.59589   57.29780 55.59589   57.29780 56.82896 32.49044 56.82896 32.49044 -0.000000 0.000000 
1 1 1 36 16 1  o 68.04108 26.09555 51.05745   49.92284 51.05745   49.92284 ?          ?        68.04108 26.09555 ?        ?        ?         ?        
1 1 1 36 16 2  o 100.6131 26.43730 129.9128   53.89397 129.9128   53.89397 ?          ?        100.6131 26.43730 ?        ?        ?         ?        
1 1 1 36 16 3  o 36.07504 17.89368 -95.87454  48.78823 -95.87454  48.78823 ?          ?        36.07504 17.89368 ?        ?        ?         ?        
1 1 1 36 17 0  o 31.55595 22.38490 -47.08631  54.46128 -47.08631  54.46128 -47.08631  54.46128 31.55595 22.38490 31.55595 22.38490 -0.000000 0.000000 
1 1 1 36 17 1  o 54.06796 22.76657 17.58645   41.98057 17.58645   41.98057 ?          ?        54.06796 22.76657 ?        ?        ?         ?        
1 1 1 36 17 2  o 133.2433 15.96624 193.4510   42.54787 193.4510   42.54787 ?          ?        133.2433 15.96624 ?        ?        ?         ?        
1 1 1 36 17 3  o 47.43954 22.09813 -25.52872  51.05745 -25.52872  51.05745 ?          ?        47.43954 22.09813 ?        ?        ?         ?        
1 1 1 36 18 0  o 47.78691 29.71901 30.63447   55.59589 30.63447   55.59589 30.63447   55.59589 47.78691 29.71901 47.78691 29.71901 -0.000000 0.000000 
1 1 1 36 18 1  o 74.35609 24.08940 68.07660   40.84595 68.07660   40.84595 ?          ?        74.35609 24.08940 ?        ?        ?         ?        
1 1 1 36 18 2  o 55.52756 23.77269 16.45185   47.08631 16.45185   47.08631 ?          ?        55.52756 23.77269 ?        ?        ?         ?        
1 1 1 36 19 0  o 50.69677 30.84427 39.14404   57.29780 39.14404   57.29780 39.14404   57.29780 50.69677 30.84427 50.69677 30.84427 -0.000000 0.000000 
1 1 1 36 19 1  o 45.65388 20.37421 -3.971134  38.00943 -3.971134  38.00943 ?          ?        45.65388 20.37421 ?        ?        ?         ?        
1 1 1 36 19 2  o 47.33174 21.19107 -4.538440  41.41326 -4.538440  41.41326 ?          ?        47.33174 21.19107 ?        ?        ?         ?        
1 1 1 36 20 0  o 36.43065 24.56581 -7.942269  49.92284 -7.942269  49.92284 -7.942269  49.92284 36.43065 24.56581 36.43065 24.56581 -0.000000 0.000000 
1 1 1 36 20 1  o 51.52604 21.40315 17.01915   36.30752 17.01915   36.30752 ?          ?        51.52604 21.40315 ?        ?        ?         ?        
1 1 1 37 0  1  o 42.30508 29.72716 -51.05745  90.76879 -51.05745  90.76879 -51.05745  90.76879 42.30508 29.72716 42.30508 29.72716 -0.000000 0.000000 
1 1 1 37 0  2  o 35.99390 25.62369 -62.40355  73.18234 -62.40355  73.18234 -62.40355  73.18234 35.99390 25.62369 35.99390 25.62369 -0.000000 0.000000 
1 1 1 37 1  0  o 42.18221 28.90596 -18.15376  73.74965 -18.15376  73.74965 -18.15376  73.74965 42.18221 28.90596 42.18221 28.90596 -0.000000 0.000000 
1 1 1 37 1  1  o 54.21465 23.50147 10.77879   47.08631 10.77879   47.08631 ?          ?        54.21465 23.50147 ?        ?        ?         ?        
1 1 1 37 1  2  o 42.50598 20.93413 -103.8168  63.53815 -103.8168  63.53815 ?          ?        42.50598 20.93413 ?        ?        ?         ?        
1 1 1 37 1  3  o 49.17355 23.12487 -35.74022  58.99971 -35.74022  58.99971 ?          ?        49.17355 23.12487 ?        ?        ?         ?        
1 1 1 37 2  0  o 62.28259 37.16360 69.21120   79.99000 69.21120   79.99000 69.21120   79.99000 62.28259 37.16360 62.28259 37.16360 -0.000000 0.000000 
1 1 1 37 2  1  o 79.24358 29.14746 79.99000   60.70163 79.99000   60.70163 ?          ?        79.24358 29.14746 ?        ?        ?         ?        
1 1 1 37 2  2  o 74.32619 30.26536 63.53815   70.91312 63.53815   70.91312 ?          ?        74.32619 30.26536 ?        ?        ?         ?        
1 1 1 37 2  3  o 87.90281 30.17921 106.0860   64.10546 106.0860   64.10546 ?          ?        87.90281 30.17921 ?        ?        ?         ?        
1 1 1 37 3  0  o 50.70211 34.14434 3.403830   95.87454 3.403830   95.87454 3.403830   95.87454 50.70211 34.14434 50.70211 34.14434 -0.000000 0.000000 
1 1 1 37 3  1  o 42.41446 20.86984 -95.87454  61.26894 -95.87454  61.26894 ?          ?        42.41446 20.86984 ?        ?        ?         ?        
1 1 1 37 3  3  o 74.24258 28.70503 66.94199   60.70163 66.94199   60.70163 ?          ?        74.24258 28.70503 ?        ?        ?         ?        
1 1 1 37 4  0  o 73.88993 43.81660 112.8937   110.0572 112.8937   110.0572 112.8937   110.0572 73.88993 43.81660 73.88993 43.81660 -0.000000 0.000000 
1 1 1 37 4  1  o 116.6170 37.65144 216.1432   99.84568 216.1432   99.84568 ?          ?        116.6170 37.65144 ?        ?        ?         ?        
1 1 1 37 4  3  o 57.03284 23.74053 23.82681   44.81709 23.82681   44.81709 ?          ?        57.03284 23.74053 ?        ?        ?         ?        
1 1 1 37 5  0  o 32.69417 24.18022 -197.9895  97.57646 -197.9895  97.57646 -197.9895  97.57646 32.69417 24.18022 32.69417 24.18022 -0.000000 0.000000 
1 1 1 37 5  1  o 66.60588 31.37497 -23.82681  109.4899 -23.82681  109.4899 ?          ?        66.60588 31.37497 ?        ?        ?         ?        
1 1 1 37 5  2  o 45.72503 21.31857 -25.52872  47.65361 -25.52872  47.65361 ?          ?        45.72503 21.31857 ?        ?        ?         ?        
1 1 1 37 5  3  o 46.58629 21.01005 -7.374964  41.41326 -7.374964  41.41326 ?          ?        46.58629 21.01005 ?        ?        ?         ?        
1 1 1 37 6  0  o 36.22880 25.66353 -54.46128  70.91312 -54.46128  70.91312 -54.46128  70.91312 36.22880 25.66353 36.22880 25.66353 -0.000000 0.000000 
1 1 1 37 6  1  o 48.44841 21.85278 -6.807660  44.81709 -6.807660  44.81709 ?          ?        48.44841 21.85278 ?        ?        ?         ?        
1 1 1 37 6  2  o 50.45797 21.72367 9.644185   39.71135 9.644185   39.71135 ?          ?        50.45797 21.72367 ?        ?        ?         ?        
1 1 1 37 6  3  o 45.19117 20.70026 -15.88454  42.54787 -15.88454  42.54787 ?          ?        45.19117 20.70026 ?        ?        ?         ?        
1 1 1 37 7  0  o 43.29876 28.68400 6.240355   62.40355 6.240355   62.40355 6.240355   62.40355 43.29876 28.68400 43.29876 28.68400 -0.000000 0.000000 
1 1 1 37 7  1  o 138.5517 15.55924 208.2009   43.11518 208.2009   43.11518 ?          ?        138.5517 15.55924 ?        ?        ?         ?        
1 1 1 37 7  2  o 52.96136 21.94295 19.28837   38.00943 19.28837   38.00943 ?          ?        52.96136 21.94295 ?        ?        ?         ?        
1 1 1 37 8  0  o 69.58952 32.62088 82.25922   50.49014 82.25922   50.49014 82.25922   50.49014 69.58952 32.62088 69.58952 32.62088 -0.000000 0.000000 
1 1 1 37 8  1  o 41.92013 19.64281 -27.79794  41.41326 -27.79794  41.41326 ?          ?        41.92013 19.64281 ?        ?        ?         ?        
1 1 1 37 8  2  o 71.10123 24.42108 61.26894   41.98057 61.26894   41.98057 ?          ?        71.10123 24.42108 ?        ?        ?         ?        
1 1 1 37 9  0  o 28.16722 20.26959 -57.86510  49.35553 -57.86510  49.35553 -57.86510  49.35553 28.16722 20.26959 28.16722 20.26959 -0.000000 0.000000 
1 1 1 37 9  1  o 53.95689 21.98492 22.69220   37.44213 22.69220   37.44213 ?          ?        53.95689 21.98492 ?        ?        ?         ?        
1 1 1 37 9  2  o 53.71729 23.76801 4.538440   50.49014 4.538440   50.49014 ?          ?        53.71729 23.76801 ?        ?        ?         ?        
1 1 1 37 10 0  o 33.99610 24.85969 -137.8551  89.06688 -137.8551  89.06688 -137.8551  89.06688 33.99610 24.85969 33.99610 24.85969 -0.000000 0.000000 
1 1 1 37 10 1  o 50.22072 23.60224 -35.17290  61.26894 -35.17290  61.26894 ?          ?        50.22072 23.60224 ?        ?        ?         ?        
1 1 1 37 11 1  o 49.85501 23.89716 -57.29780  68.07660 -57.29780  68.07660 ?          ?        49.85501 23.89716 ?        ?        ?         ?        
1 1 1 37 12 0  o 109.2868 42.95120 199.1240   89.63419 199.1240   89.63419 199.1240   89.63419 109.2868 42.95120 109.2868 42.95120 -0.000000 0.000000 
# 
#END OF REFLECTIONS
