data_r5ednsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-11-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5edn 
_cell.length_a      52.6180 
_cell.length_b      52.5220 
_cell.length_c      389.3310 
_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   0.97239 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.810 
_diffrn_reflns.pdbx_d_res_low    194.665 
_diffrn_reflns.limit_h_max       18 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       18 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       138 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            27576 
_diffrn_reflns.pdbx_number_obs   21580 
# 
_entry.id   5edn 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5edn 
_symmetry.space_group_name_H-M   "P 2 2 21" 
_symmetry.Int_Tables_number      17 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  -Y,  Z+1/2" 
3 "X,  -Y,  -Z"     
4 "-X,  Y,  -Z+1/2" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.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   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  10  o 55.24364 18.96282 0.2738971      0.1300422     0.2931967      0.1840101     0.2546405      0.1838048     54.46127 23.65323 50.16261 23.59146 -0.000000      0.000000 
1 1 1 0  0  12  o 6047.981 81.38943 2569.683       67.94214      2721.568       103.8749      2456.119       89.81963      6158.056 122.2688 5869.533 110.9123 -0.000000      0.000000 
1 1 1 0  0  14  o 316.0482 15.58974 6.950750       0.6765710     6.941329       0.9574751     6.960146       0.9561581     314.5330 22.30330 314.9799 22.23876 -0.000000      0.000000 
1 1 1 0  0  16  o 231.3675 15.46543 3.747371       0.4890194     3.770280       0.6911637     3.724407       0.6919926     230.3928 22.19902 228.8929 22.38582 0.000000       0.000000 
1 1 1 0  0  18  o 216.2734 15.48166 3.280667       0.4568936     3.219708       0.6461040     3.341642       0.6461863     212.2543 22.69969 216.5406 22.14178 -0.000000      0.000000 
1 1 1 0  0  20  o 489.0628 23.16844 16.64694       1.556584      16.64694       1.556584      0.000000       0.000000      489.0628 23.16844 489.0628 23.16844 -0.000000      0.000000 
1 1 1 0  0  22  o 151.7228 23.86237 1.704796       0.4629719     0.000000       0.000000      1.704796       0.4629719     151.7228 23.86237 151.7228 23.86237 -0.000000      0.000000 
1 1 1 0  0  24  o 2415.163 34.92685 404.2386       11.64231      404.7462       16.49153      403.7343       16.43802      2412.088 49.56143 2409.104 49.46173 -0.000000      0.000000 
1 1 1 0  0  26  o 467.3860 16.22510 15.14670       1.044270      15.00328       1.475211      15.29075       1.478436      464.1227 23.15023 468.6113 22.97411 -0.000000      0.000000 
1 1 1 0  0  28  o 1433.540 23.96408 142.2126       4.740616      143.5868       6.757885      140.8811       6.651859      1438.757 34.05927 1425.156 33.84514 0.000000       0.000000 
1 1 1 0  0  30  o 146.8810 15.94036 1.542355       0.3136452     1.590403       0.4436419     1.494342       0.4434808     146.1757 23.89819 140.7396 25.23421 0.000000       0.000000 
1 1 1 0  0  32  o 589.5378 16.90185 24.07269       1.373332      23.86979       1.939162      24.27687       1.945222      586.0720 24.05421 591.0941 23.92181 -0.000000      0.000000 
1 1 1 0  0  34  o 381.9652 15.93737 10.13219       0.8372518     9.985516       1.182902      10.27944       1.185207      377.9880 22.85518 383.6303 22.55239 -0.000000      0.000000 
1 1 1 0  0  36  o 265.7256 15.67905 4.928907       0.5707105     4.616010       0.8041170     5.246501       0.8101299     255.2627 23.25753 272.9098 21.81879 -0.000000      0.000000 
1 1 1 0  0  38  o 428.3217 16.15093 12.72935       0.9521418     13.03680       1.350460      12.42546       1.342638      432.4469 22.75971 422.0171 23.20073 0.000000       0.000000 
1 1 1 0  0  40  o 825.2005 26.31526 47.25326       2.991601      0.000000       0.000000      47.25326       2.991601      825.2005 26.31526 825.2005 26.31526 0.000000       0.000000 
1 1 1 0  0  42  o 40.79261 21.43831 0.1663416      0.1599170     0.000000       0.000000      0.1663416      0.1599170     40.79261 21.43831 40.79261 21.43831 -0.000000      0.000000 
1 1 1 0  0  44  o 863.4111 18.86502 51.60483       2.246698      52.44704       3.207390      50.79350       3.148062      869.2852 26.77846 855.4444 26.70996 -0.000000      0.000000 
1 1 1 0  0  46  o 35.93600 17.57600 0.1312647      0.1032014     0.1190703      0.1475085     0.1429567      0.1444377     35.76024 19.98277 37.99771 20.25897 -0.000000      0.000000 
1 1 1 0  0  48  f 643.6974 17.37465 28.70621       1.541771      27.96243       2.156879      29.48332       2.204695      634.1440 24.71729 651.2590 24.59604 0.000000       0.000000 
1 1 1 0  0  50  o 114.7828 17.23345 0.9702129      0.2549861     1.024875       0.3626164     0.9167470      0.3586262     113.4538 26.63984 105.2077 28.55900 -0.000000      0.000000 
1 1 1 0  0  52  o 310.3981 15.94813 6.714057       0.6794258     6.595879       0.9611626     6.832084       0.9605442     306.0608 23.04352 311.6982 22.59015 -0.000000      0.000000 
1 1 1 0  0  54  o 187.1833 16.03885 2.476226       0.4075491     2.329641       0.5761557     2.623022       0.5765675     178.4055 24.74800 190.6274 22.76156 -0.000000      0.000000 
1 1 1 0  0  56  o 264.1837 15.94240 4.882011       0.5767136     5.032590       0.8192723     4.734105       0.8119691     266.5452 22.63525 258.1706 23.20822 -0.000000      0.000000 
1 1 1 0  0  58  o 22.15796 13.42275 0.3146912E-01  0.7588076E-01 -0.4811532E-02 0.1092099     0.6533246E-01  0.1055090     22.77384 14.73980 28.14074 16.40229 -0.000000      0.000000 
1 1 1 0  0  60  o 81.00104 28.98763 0.6030342      0.2961829     0.6030342      0.2961829     0.000000       0.000000      81.00104 28.98763 81.00104 28.98763 -0.000000      0.000000 
1 1 1 0  0  62  f 78.77457 28.85387 0.5768968      0.2896932     0.5768968      0.2896932     0.000000       0.000000      78.77457 28.85387 78.77457 28.85387 0.000000       0.000000 
1 1 1 0  0  64  o 113.6282 18.02845 0.9611714      0.2615455     0.9627450      0.3710548     0.9596176      0.3687187     107.5332 28.91611 107.4346 28.76298 -0.000000      0.000000 
1 1 1 0  0  66  o 35.51934 18.49299 0.1276905      0.1181584     0.1249057      0.1691426     0.1303449      0.1651319     37.13509 21.13836 37.41662 21.05001 -0.000000      0.000000 
1 1 1 0  0  68  o 157.7720 16.72118 1.786558       0.3549202     1.942052       0.5042824     1.633927       0.4996161     161.6053 24.19744 145.5298 27.80614 -0.000000      0.000000 
1 1 1 0  0  70  o 95.21538 20.10341 0.7077970      0.2325748     0.6525069      0.3286278     0.7632778      0.3291938     83.47810 30.78556 93.41275 29.11356 0.000000       0.000000 
1 1 1 0  0  72  o 204.5505 16.47555 2.960739       0.4584033     2.649083       0.6452787     3.278263       0.6513241     189.5274 26.05782 213.2464 22.77428 0.000000       0.000000 
1 1 1 0  0  74  o 20.48250 13.25613 -0.3681814E-02 0.8831564E-01 0.2726794E-01  0.1190295     -0.4158746E-01 0.1317280     25.96526 16.21887 22.99948 15.32331 -0.000000      0.000000 
1 1 1 0  0  76  o 100.5193 19.94876 0.7789448      0.2459855     0.9099923      0.3454871     0.6442091      0.3503150     104.9523 27.59234 81.76213 32.27240 -0.000000      0.000000 
1 1 1 0  0  78  o 46.69896 21.41860 0.2207941      0.1509795     0.3821191      0.2090968     0.4506719E-01  0.2182306     63.12774 24.93701 34.79986 21.83456 -0.000000      0.000000 
1 1 1 0  0  80  o 120.3175 29.05544 1.171977       0.4184870     1.171977       0.4184870     0.000000       0.000000      120.3175 29.05544 120.3175 29.05544 -0.000000      0.000000 
1 1 1 0  0  82  o 35.76667 21.39058 0.9382847E-01  0.1878136     0.000000       0.000000      0.9382847E-01  0.1878136     35.76667 21.39058 35.76667 21.39058 -0.000000      0.000000 
1 1 1 0  0  84  o 67.33473 23.50603 0.4133826      0.1977185     0.3208453      0.2718489     0.5173068      0.2880895     55.66230 28.27164 72.86158 29.36591 -0.000000      0.000000 
1 1 1 0  0  86  o 23.52933 15.01966 0.8198564E-02  0.1084969     -0.6943940E-01 0.1468412     0.1015440      0.1610116     23.17955 15.66424 34.73535 20.25526 -0.000000      0.000000 
1 1 1 0  0  88  o 209.1671 17.00440 3.107507       0.4836583     2.703535       0.6785828     3.524632       0.6895413     190.1956 27.51260 220.5534 23.23145 0.000000       0.000000 
1 1 1 0  0  90  o 21.00664 13.91631 -0.2682698E-01 0.1061115     0.4489264E-01  0.1497175     -0.9921483E-01 0.1504134     29.73758 18.40367 22.30369 15.28411 0.000000       0.000000 
1 1 1 0  0  92  o 175.6499 17.57056 2.215351       0.4163779     2.574138       0.5918980     1.863866       0.5858433     186.9413 24.01787 153.8089 31.15066 0.000000       0.000000 
1 1 1 0  0  94  o 41.10390 22.06704 0.1697565      0.1724917     0.1304352      0.2428237     0.2098092      0.2450721     40.99908 24.41986 46.43622 25.82539 0.000000       0.000000 
1 1 1 0  0  96  o 198.4617 17.67061 2.814041       0.4754168     2.334197       0.6684602     3.305192       0.6762900     173.9386 30.68168 212.8535 23.76893 0.000000       0.000000 
1 1 1 0  0  98  o 191.3480 18.04333 2.626674       0.4669964     3.066705       0.6621386     2.191149       0.6587398     204.2840 24.39224 167.1689 31.91147 -0.000000      0.000000 
1 1 1 0  0  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  102 o 48.33890 24.81625 0.2451934      0.2107489     0.3014832E-01  0.3039500     0.4443001      0.2924694     39.01385 24.99661 65.14050 29.81400 0.000000       0.000000 
1 1 1 0  0  104 o 116.2881 24.06478 1.076703       0.3410259     1.903632       0.4999331     0.3570481      0.4663800     157.4992 24.83383 59.69498 34.61896 0.000000       0.000000 
1 1 1 0  0  106 o 25.83622 17.33401 -0.5959383E-01 0.1737805     -0.3080756     0.2297111     0.2729218      0.2657301     23.19384 16.50624 50.51706 27.30338 -0.000000      0.000000 
1 1 1 0  0  108 o 64.63019 27.48623 0.4335637      0.2492342     0.6663170      0.3543539     0.2056941      0.3506165     80.04353 32.62126 48.28550 29.05062 0.000000       0.000000 
1 1 1 0  0  110 o 45.25383 24.47740 0.2188493      0.2137208     0.3498214      0.3018987     0.8727114E-01  0.3025963     55.88665 29.43283 40.57315 25.56215 0.000000       0.000000 
1 1 1 0  0  112 o 48.90178 25.67930 0.2613685      0.2293071     0.2577273      0.3264780     0.2649137      0.3221439     50.14169 29.01442 50.45801 28.98542 0.000000       0.000000 
1 1 1 0  0  114 o 76.56149 28.74524 0.5804076      0.2839082     0.1941688      0.3956038     0.9905911      0.4076821     48.98253 30.13093 102.6972 32.65486 0.000000       0.000000 
1 1 1 0  0  116 o 83.17297 27.89340 0.6545636      0.2859471     0.5938114      0.4056448     0.7145700      0.4031473     71.15011 34.83773 80.15584 35.01435 0.000000       0.000000 
1 1 1 0  0  118 o 44.56546 26.50588 0.1974049      0.2853631     0.1974049      0.2853631     0.000000       0.000000      44.56546 26.50588 44.56546 26.50588 -0.000000      0.000000 
1 1 1 0  0  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  138 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  4   o 4501.453 61.75434 1427.132       38.36843      1424.608       54.11069      1429.685       54.41287      4452.286 88.09391 4459.526 88.44240 0.000000       0.000000 
1 1 1 0  1  5   o 4532.005 62.16929 1446.945       38.88841      1477.672       56.59530      1419.461       53.52599      4529.463 90.57067 4445.857 87.26676 0.000000       0.000000 
1 1 1 0  1  6   o 2023.411 30.63004 284.2216       8.553528      317.7233       13.59702      262.2814       11.00351      2132.080 46.23421 1939.394 41.13089 0.000000       0.000000 
1 1 1 0  1  7   o 2700.309 38.64426 507.5895       14.40244      506.1836       20.29705      509.0153       20.43994      2685.465 54.78778 2692.785 55.02364 0.000000       0.000000 
1 1 1 0  1  8   o 2073.084 31.16638 298.3956       8.917026      279.1489       11.66444      325.4598       13.83197      2000.309 42.27335 2157.780 46.47225 0.000000       0.000000 
1 1 1 0  1  9   o 329.7610 11.40812 7.539607       0.5180495     7.561252       0.7339489     7.518116       0.7313235     329.5234 16.21989 328.5773 16.20881 -0.000000      0.000000 
1 1 1 0  1  10  o 1627.727 18.67405 183.3237       4.195941      186.2535       6.015559      180.5476       5.855589      1638.857 26.59837 1613.619 26.29612 -0.000000      0.000000 
1 1 1 0  1  11  o 329.2561 11.48002 7.517023       0.5204938     7.529043       0.7360910     7.505002       0.7360877     328.8011 16.30433 328.2671 16.33139 0.000000       0.000000 
1 1 1 0  1  12  o 848.7556 13.63452 49.82220       1.597011      49.82685       2.255467      49.81753       2.261575      848.0641 19.28311 847.9764 19.33746 -0.000000      0.000000 
1 1 1 0  1  13  o 135.3917 11.23578 1.292342       0.2067268     1.568400       0.2935001     1.020547       0.2912249     148.5174 14.63809 116.8021 19.75275 -0.000000      0.000000 
1 1 1 0  1  14  o 381.7762 20.74172 10.17375       1.086056      9.409514       1.522179      10.96620       1.550031      364.4844 30.74810 394.6058 28.79972 0.000000       0.000000 
1 1 1 0  1  15  o 89.96133 11.69027 0.5868061      0.1384458     0.6050815      0.1958249     0.5685432      0.1957589     88.53333 18.11950 84.97015 19.11893 0.000000       0.000000 
1 1 1 0  1  16  o 1830.107 20.00122 231.7972       5.053058      232.4147       7.156354      231.1833       7.135896      1830.329 28.33083 1825.472 28.32508 0.000000       0.000000 
1 1 1 0  1  17  o 345.5183 11.25000 8.273859       0.5354480     8.589562       0.7624514     7.966646       0.7521298     351.4392 15.78421 338.3093 16.18499 -0.000000      0.000000 
1 1 1 0  1  18  o 272.3384 15.91881 5.179536       0.5939474     0.000000       0.000000      5.179536       0.5939474     272.3384 15.91881 272.3384 15.91881 0.000000       0.000000 
1 1 1 0  1  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  20  o 351.1077 15.91783 8.574536       0.7681126     0.000000       0.000000      8.574536       0.7681126     351.1077 15.91783 351.1077 15.91783 -0.000000      0.000000 
1 1 1 0  1  21  o 548.4904 11.85583 20.81457       0.8969761     21.02564       1.270531      20.60483       1.266510      550.6915 16.74359 545.1211 16.86241 0.000000       0.000000 
1 1 1 0  1  22  o 2307.508 23.83039 368.8102       7.591158      361.7249       10.48858      376.6043       11.00077      2281.703 33.30643 2327.770 34.24180 0.000000       0.000000 
1 1 1 0  1  23  o 418.0804 11.37624 12.10262       0.6556451     12.51676       0.9337071     11.69978       0.9208708     424.6096 15.97647 410.4078 16.30819 -0.000000      0.000000 
1 1 1 0  1  24  o 1606.009 18.25520 178.4513       4.047121      182.3796       5.847937      174.8405       5.606672      1621.814 26.12870 1588.055 25.58326 -0.000000      0.000000 
1 1 1 0  1  25  o 1134.242 14.94256 88.97073       2.339371      90.22251       3.342594      87.76892       3.275177      1141.230 21.22812 1125.614 21.08877 -0.000000      0.000000 
1 1 1 0  1  26  f 266.4309 11.03891 4.929187       0.4045298     4.928035       0.5717400     4.930341       0.5724435     265.6145 15.71459 265.6742 15.73059 0.000000       0.000000 
1 1 1 0  1  27  o 653.8005 12.26183 29.56616       1.106099      29.34512       1.559293      29.79004       1.569274      650.7452 17.38120 655.6732 17.36050 0.000000       0.000000 
1 1 1 0  1  28  o 950.3550 13.82281 62.45778       1.813064      62.65380       2.565409      62.26217       2.562714      951.0733 19.55325 948.0861 19.59445 0.000000       0.000000 
1 1 1 0  1  29  o 669.6014 12.33337 31.01175       1.139472      31.06952       1.611263      30.95395       1.611652      669.6196 17.45290 668.3653 17.49009 0.000000       0.000000 
1 1 1 0  1  30  f 203.9758 11.00513 2.899345       0.3079027     2.838047       0.4355760     2.960567       0.4353045     200.7402 15.94561 205.1980 15.56931 -0.000000      0.000000 
1 1 1 0  1  31  o 1706.042 19.01181 201.4068       4.477440      200.3512       6.297255      202.4859       6.367441      1699.647 26.84719 1708.639 27.00356 0.000000       0.000000 
1 1 1 0  1  32  o 2090.119 22.04830 302.4881       6.361730      300.6083       8.931809      304.4236       9.063322      2080.632 31.10462 2093.702 31.36566 0.000000       0.000000 
1 1 1 0  1  33  o 424.4738 11.40847 12.47521       0.6675851     12.35228       0.9430731     12.59869       0.9451461     421.7501 16.24869 425.9734 16.12103 -0.000000      0.000000 
1 1 1 0  1  34  o 1855.360 20.17610 238.2652       5.167587      240.0123       7.366045      236.5721       7.251447      1859.758 28.69942 1846.451 28.45649 -0.000000      0.000000 
1 1 1 0  1  35  o 871.0002 13.40888 52.46518       1.611821      53.15245       2.295721      51.79703       2.263537      875.9572 19.00027 864.7038 18.97819 -0.000000      0.000000 
1 1 1 0  1  36  o 1600.270 18.21801 177.1901       4.024441      178.5876       5.737325      175.8365       5.646598      1604.793 25.90644 1592.431 25.69468 -0.000000      0.000000 
1 1 1 0  1  37  o 415.4701 11.39085 11.95294       0.6523715     11.87013       0.9206606     12.03644       0.9245367     413.3981 16.18481 416.3043 16.13838 0.000000       0.000000 
1 1 1 0  1  38  o 1000.303 14.11463 69.20254       1.948697      69.82711       2.772956      68.59312       2.739104      1003.936 20.02115 995.0262 19.95401 -0.000000      0.000000 
1 1 1 0  1  39  o 748.1175 18.04071 38.78180       1.861190      0.000000       0.000000      38.78180       1.861190      748.1175 18.04071 748.1175 18.04071 0.000000       0.000000 
1 1 1 0  1  40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  41  o 692.8899 17.67352 33.27558       1.688443      33.27558       1.688443      0.000000       0.000000      692.8899 17.67352 692.8899 17.67352 0.000000       0.000000 
1 1 1 0  1  42  o 1332.043 16.29748 122.7679       2.996611      126.2222       4.337259      119.6131       4.144973      1349.149 23.29752 1313.426 22.87047 0.000000       0.000000 
1 1 1 0  1  43  o 264.3472 11.10873 4.854052       0.4038591     4.785265       0.5703667     4.923215       0.5719225     261.6056 15.92470 265.4301 15.73097 0.000000       0.000000 
1 1 1 0  1  44  o 1389.798 16.71046 133.6749       3.205801      132.3893       4.495721      135.0048       4.572632      1381.459 23.58354 1395.002 23.75404 -0.000000      0.000000 
1 1 1 0  1  45  o 94.25404 11.91570 0.6427611      0.1483370     0.6441060      0.2094833     0.6414086      0.2100785     91.23493 18.83466 90.94404 18.97965 0.000000       0.000000 
1 1 1 0  1  46  o 436.1945 11.49351 13.17702       0.6911763     13.01003       0.9754490     13.34541       0.9795054     432.7183 16.37857 438.3077 16.23469 -0.000000      0.000000 
1 1 1 0  1  47  o 611.9952 12.14160 25.92072       1.025123      25.85468       1.448064      25.98707       1.451429      610.4748 17.20930 612.0403 17.20500 0.000000       0.000000 
1 1 1 0  1  48  o 457.2564 11.59432 14.48036       0.7309906     14.29891       1.030703      14.66399       1.036878      453.6480 16.50375 459.4448 16.39125 0.000000       0.000000 
1 1 1 0  1  49  o 1011.000 14.23946 70.74584       1.986957      69.86135       2.787316      71.65971       2.833208      1003.395 20.13590 1016.225 20.20870 0.000000       0.000000 
1 1 1 0  1  50  o 312.0443 11.23377 6.757403       0.4826155     6.489826       0.6794403     7.029890       0.6856449     304.8964 16.24374 317.5356 15.72552 0.000000       0.000000 
1 1 1 0  1  51  o 151.3891 11.30178 1.610810       0.2332272     1.654244       0.3302422     1.567591       0.3294254     152.0552 16.19054 147.7072 16.70214 -0.000000      0.000000 
1 1 1 0  1  52  o 172.9818 11.23068 2.095013       0.2656593     2.153611       0.3762567     2.036761       0.3751439     174.2025 15.94938 169.1463 16.41701 0.000000       0.000000 
1 1 1 0  1  53  o 174.0642 11.24439 2.121409       0.2676743     2.233136       0.3796068     2.010919       0.3774993     177.4896 15.77563 167.9343 16.65530 0.000000       0.000000 
1 1 1 0  1  54  o 258.5681 11.21496 4.650754       0.3987013     4.710139       0.5646506     4.591704       0.5630504     259.2468 15.91082 255.8883 16.08082 0.000000       0.000000 
1 1 1 0  1  55  o 197.7679 11.22212 2.732110       0.3041994     2.759080       0.4300109     2.705091       0.4303952     197.5674 16.00414 195.5311 16.19661 -0.000000      0.000000 
1 1 1 0  1  56  o 85.70110 12.60305 0.5403307      0.1396862     0.5729212      0.1974080     0.5076488      0.1976846     85.08184 19.26860 78.20270 21.17994 -0.000000      0.000000 
1 1 1 0  1  57  o 228.0297 11.22726 3.625608       0.3515566     3.441572       0.4957985     3.811704       0.4985653     220.8225 16.47079 232.8008 15.67260 0.000000       0.000000 
1 1 1 0  1  58  o 70.12802 13.97824 0.3785610      0.1201649     0.3822877      0.1696656     0.3748102      0.1702134     65.93791 21.12993 64.95924 21.37866 -0.000000      0.000000 
1 1 1 0  1  59  o 92.18996 12.45860 0.6202712      0.1504399     0.5752113      0.2140354     0.6642680      0.2114958     83.88559 21.37322 92.67209 18.64540 0.000000       0.000000 
1 1 1 0  1  60  f 382.5727 16.36684 10.23976       0.8610039     10.23976       0.8610039     0.000000       0.000000      382.5727 16.36684 382.5727 16.36684 -0.000000      0.000000 
1 1 1 0  1  61  o 45.35172 20.42744 0.2078489      0.1370672     0.000000       0.000000      0.2078489      0.1370672     45.35172 20.42744 45.35172 20.42744 -0.000000      0.000000 
1 1 1 0  1  62  o 118.7013 14.02328 1.019226       0.2214179     0.9921924      0.3886167     1.032221       0.2694265     108.0837 30.09903 117.9105 17.73140 -0.000000      0.000000 
1 1 1 0  1  63  o 242.1132 11.34769 4.093654       0.3774723     4.173173       0.5341692     4.014338       0.5334842     243.0944 16.07478 238.2543 16.39420 -0.000000      0.000000 
1 1 1 0  1  64  o 288.7621 11.39542 5.814740       0.4527614     6.064617       0.6425033     5.568259       0.6381220     293.5559 15.95841 280.9590 16.58056 -0.000000      0.000000 
1 1 1 0  1  65  o 225.8164 11.40126 3.567359       0.3534376     3.629970       0.4998337     3.504746       0.4998389     226.3165 16.18470 222.2048 16.49979 -0.000000      0.000000 
1 1 1 0  1  66  o 169.3911 11.50981 2.020182       0.2663602     2.203052       0.3774413     1.838760       0.3759435     175.5434 15.86962 159.2780 17.64707 -0.000000      0.000000 
1 1 1 0  1  67  o 142.1598 11.69263 1.432152       0.2259511     1.513044       0.3193529     1.351067       0.3197336     144.3930 16.58457 135.5323 17.96553 -0.000000      0.000000 
1 1 1 0  1  68  o 123.7522 11.94310 1.093365       0.1997185     1.207238       0.2831742     0.9806582      0.2817208     128.3080 16.77725 113.5561 19.75894 0.000000       0.000000 
1 1 1 0  1  69  o 211.4012 11.47530 3.130935       0.3327172     3.199387       0.4709241     3.062711       0.4701433     212.1761 16.29473 207.3761 16.66614 -0.000000      0.000000 
1 1 1 0  1  70  o 121.3762 12.11158 1.053519       0.1983524     1.146957       0.2809230     0.9606257      0.2801042     124.7360 17.25131 112.2447 19.95186 -0.000000      0.000000 
1 1 1 0  1  71  o 375.0293 11.66172 9.795701       0.6025790     9.495743       0.8486111     10.10075       0.8557851     367.4927 16.80330 379.2423 16.41211 0.000000       0.000000 
1 1 1 0  1  72  o 126.8963 12.05591 1.148054       0.2068647     1.119493       0.2923887     1.176679       0.2927133     122.6096 18.51955 126.2092 17.81925 -0.000000      0.000000 
1 1 1 0  1  73  o 181.4944 11.65044 2.314533       0.2892146     2.213519       0.4087502     2.415805       0.4092726     175.5616 17.24305 183.9353 16.41491 0.000000       0.000000 
1 1 1 0  1  74  o 122.3363 12.23196 1.069835       0.2018898     1.044183       0.2850590     1.095652       0.2859737     117.9738 18.96980 121.3610 18.29285 -0.000000      0.000000 
1 1 1 0  1  75  o 119.4201 12.31120 1.021275       0.1980669     1.007749       0.2804700     1.034732       0.2797492     115.6807 19.13197 117.5711 18.63275 0.000000       0.000000 
1 1 1 0  1  76  o 340.8262 11.67708 8.091325       0.5480854     8.194423       0.7755160     7.988440       0.7747041     341.4970 16.53458 337.0744 16.73871 -0.000000      0.000000 
1 1 1 0  1  77  o 139.4185 12.08420 1.379571       0.2286151     1.417485       0.3224479     1.341249       0.3241802     139.3222 17.51178 134.9865 18.35018 -0.000000      0.000000 
1 1 1 0  1  78  o 266.5279 11.62737 4.959345       0.4260666     4.898651       0.6028196     5.019930       0.6022792     263.3166 16.73445 266.6771 16.50065 0.000000       0.000000 
1 1 1 0  1  79  o 137.8781 12.13328 1.350675       0.2268851     1.486682       0.3209028     1.214734       0.3208250     143.0547 16.86013 127.4850 19.60364 -0.000000      0.000000 
1 1 1 0  1  80  o 233.6619 16.73104 3.873599       0.5334607     3.873599       0.5334607     0.000000       0.000000      233.6619 16.73104 233.6619 16.73104 -0.000000      0.000000 
1 1 1 0  1  81  o 60.92149 23.36775 0.3544595      0.1858000     0.000000       0.000000      0.3544595      0.1858000     60.92149 23.36775 60.92149 23.36775 -0.000000      0.000000 
1 1 1 0  1  82  o 62.19127 20.52653 0.3460804      0.1565969     0.3450838      0.1873363     0.3483918      0.2853122     59.66719 23.61219 57.39858 29.00589 0.000000       0.000000 
1 1 1 0  1  83  o 115.3003 12.75214 0.9584607      0.1966818     0.9709194      0.2803567     0.9463869      0.2759948     112.8078 19.82934 111.2496 19.84892 0.000000       0.000000 
1 1 1 0  1  84  o 99.54034 13.44470 0.7268754      0.1753032     0.7420840      0.2456344     0.7110883      0.2502628     96.70580 20.98403 93.57807 22.32059 -0.000000      0.000000 
1 1 1 0  1  85  o 74.43470 15.94227 0.4355934      0.1438947     0.4788222      0.2017688     0.3908504      0.2052720     73.98855 22.60434 63.65638 24.59888 -0.000000      0.000000 
1 1 1 0  1  86  o 94.49905 13.99020 0.6623390      0.1707942     0.8099482      0.2420022     0.5158532      0.2410795     102.5652 19.00678 74.72681 25.89812 -0.000000      0.000000 
1 1 1 0  1  87  o 162.5314 12.19449 1.871307       0.2701355     2.161084       0.3848907     1.589989       0.3792307     173.2142 16.43197 146.2944 19.79385 -0.000000      0.000000 
1 1 1 0  1  88  o 253.0655 11.87657 4.490899       0.4129306     4.726091       0.5875595     4.261365       0.5804496     257.7680 16.66746 244.2674 17.41249 -0.000000      0.000000 
1 1 1 0  1  89  o 86.30095 15.04076 0.5651215      0.1629313     0.6103946      0.2329616     0.5217719      0.2279592     85.13265 22.93070 76.32229 24.51435 -0.000000      0.000000 
1 1 1 0  1  90  o 62.51598 18.44014 0.3361681      0.1383730     0.3561704      0.1983483     0.3172038      0.1931339     60.01394 24.39712 55.87186 24.23192 -0.000000      0.000000 
1 1 1 0  1  91  f 92.47170 14.75697 0.6412783      0.1740458     0.4964856      0.2480647     0.7816585      0.2442555     72.02776 26.81070 99.96484 19.93397 -0.000000      0.000000 
1 1 1 0  1  92  o 49.62068 19.54338 0.2380301      0.1285795     0.2769961      0.1793100     0.1967857      0.1844778     51.85152 23.36373 43.48919 22.97944 0.000000       0.000000 
1 1 1 0  1  93  o 275.5087 12.10908 5.325343       0.4586392     5.537169       0.6523617     5.118316       0.6449298     278.8046 17.09253 267.6692 17.62453 -0.000000      0.000000 
1 1 1 0  1  94  o 63.62142 19.61218 0.3545837      0.1507409     0.4568636      0.2099322     0.2457205      0.2165831     70.57159 24.02494 48.21417 25.05521 0.000000       0.000000 
1 1 1 0  1  95  o 78.89742 17.44236 0.4950643      0.1661783     0.5080016      0.2381560     0.4827885      0.2319886     73.86425 25.80359 71.64443 25.66130 -0.000000      0.000000 
1 1 1 0  1  96  o 44.43077 19.96012 0.2018517      0.1308794     0.1384215      0.1880578     0.2614318      0.1822610     38.56786 22.15017 49.97158 23.49326 -0.000000      0.000000 
1 1 1 0  1  97  o 152.4396 12.92823 1.659020       0.2676260     1.760816       0.3780471     1.556755       0.3789150     154.6600 18.38774 144.1250 20.17160 0.000000       0.000000 
1 1 1 0  1  98  o 26.09298 16.10820 0.3787670E-01  0.1139756     -0.6519399E-01 0.1582817     0.1488749      0.1642559     24.27038 16.35992 38.51236 21.24174 0.000000       0.000000 
1 1 1 0  1  99  o 43.49058 23.71137 0.1957041      0.2020312     0.000000       0.000000      0.1957041      0.2020312     43.49058 23.71137 43.49058 23.71137 0.000000       0.000000 
1 1 1 0  1  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  101 o 28.21048 18.22396 0.5344873E-02  0.1658724     0.5344873E-02  0.1658724     0.000000       0.000000      28.21048 18.22396 28.21048 18.22396 0.000000       0.000000 
1 1 1 0  1  102 o 52.69884 21.56037 0.2784508      0.1546188     0.3982914      0.2191241     0.1596114      0.2182069     62.45935 25.68576 40.78482 23.66786 -0.000000      0.000000 
1 1 1 0  1  103 o 47.62767 21.69059 0.2393669      0.1547231     0.3462626E-01  0.2144545     0.4616348      0.2234454     32.98916 21.08110 68.74129 25.39706 -0.000000      0.000000 
1 1 1 0  1  104 o 23.78971 15.63390 -0.1455224E-01 0.1297165     0.1534788E-01  0.1868794     -0.4235213E-01 0.1801966     30.02913 19.37834 26.81295 17.88216 0.000000       0.000000 
1 1 1 0  1  105 o 31.48365 18.78142 0.8470887E-01  0.1440449     0.5408809E-01  0.1994433     0.1180978      0.2082633     32.77585 20.69260 37.03311 22.33504 -0.000000      0.000000 
1 1 1 0  1  106 o 27.33707 17.10409 0.4023247E-01  0.1329245     0.1053478      0.1838632     -0.3106559E-01 0.1923942     34.90397 21.01840 28.03017 18.62556 -0.000000      0.000000 
1 1 1 0  1  107 o 95.43298 18.06552 0.7265502      0.2132020     0.5702665      0.2975161     0.8915241      0.3056759     72.00192 29.97750 100.7584 25.40457 0.000000       0.000000 
1 1 1 0  1  108 o 36.77142 20.26081 0.1462658      0.1492627     0.2458596      0.2020157     0.2652686E-01  0.2215067     46.18521 24.14366 32.35830 20.96129 0.000000       0.000000 
1 1 1 0  1  109 o 40.82044 21.19381 0.1872012      0.1548633     -0.1507730     0.2301378     0.4668873      0.2093541     26.44235 18.31424 68.95766 24.23874 -0.000000      0.000000 
1 1 1 0  1  110 o 47.69444 22.49541 0.2538157      0.1672468     0.3196258      0.2276076     0.1765804      0.2465747     52.10772 25.99610 41.33089 24.61229 0.000000       0.000000 
1 1 1 0  1  111 o 43.48344 21.71483 0.2136405      0.1588750     0.1409215      0.2341896     0.2756439      0.2162477     38.76139 23.53103 48.37885 25.06471 -0.000000      0.000000 
1 1 1 0  1  112 o 48.94526 22.55739 0.2651027      0.1675454     0.5074658      0.2302760     -0.7521632E-02 0.2442292     71.05179 25.61698 32.10997 21.21896 0.000000       0.000000 
1 1 1 0  1  113 o 46.94994 22.42438 0.2470784      0.1667271     0.1704730      0.2465752     0.3116051      0.2263026     40.95228 24.50060 51.40458 25.86522 -0.000000      0.000000 
1 1 1 0  1  114 o 29.05976 18.04543 0.5596487E-01  0.1451920     0.2510748E-01  0.2167706     0.8107205E-01  0.1955329     31.83802 20.66585 33.55433 20.88283 -0.000000      0.000000 
1 1 1 0  1  115 o 116.1110 16.01067 1.036476       0.2427947     0.8410997      0.3373204     1.246509       0.3497436     91.36801 30.10979 122.1486 23.16017 0.000000       0.000000 
1 1 1 0  1  116 o 36.38992 20.13026 0.1469045      0.1480088     0.6461392E-01  0.2164932     0.2191205      0.2028084     33.45010 21.29893 43.15002 23.67438 -0.000000      0.000000 
1 1 1 0  1  117 o 62.27605 22.13013 0.3864301      0.1733607     0.3319290      0.2411092     0.4447631      0.2494411     51.46091 26.51600 61.27499 27.55620 0.000000       0.000000 
1 1 1 0  1  118 o 36.82190 23.71566 0.9921792E-01  0.2780431     0.9921792E-01  0.2780431     0.000000       0.000000      36.82190 23.71566 36.82190 23.71566 -0.000000      0.000000 
1 1 1 0  1  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  138 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  1   o 959.8922 19.94105 63.82594       2.640494      64.24753       3.727076      63.40111       3.741410      961.4874 28.12733 955.0491 28.42781 -0.000000      0.000000 
1 1 1 0  2  2   o 466.5507 16.50781 15.10543       1.060453      14.32691       1.484385      15.91694       1.515514      453.0048 23.88203 477.8374 23.09193 -0.000000      0.000000 
1 1 1 0  2  3   o 3203.256 44.86620 716.1509       19.83613      695.5270       26.98783      740.3839       29.25406      3141.081 62.27823 3237.369 65.50242 0.000000       0.000000 
1 1 1 0  2  4   o 582.3454 17.13017 23.50951       1.374768      23.32266       1.939457      23.69821       1.949008      578.8071 24.36474 583.4883 24.28608 0.000000       0.000000 
1 1 1 0  2  5   o 826.0838 18.79528 47.27305       2.141426      48.64852       3.066008      45.96300       2.992208      836.6477 26.60040 813.1323 26.71505 0.000000       0.000000 
1 1 1 0  2  6   o 1869.078 28.90082 242.3981       7.454893      238.2066       10.35007      246.9171       10.74674      1848.357 40.59688 1881.525 41.40987 0.000000       0.000000 
1 1 1 0  2  7   o 2355.305 34.48775 385.5863       11.21089      397.4399       16.41999      375.2355       15.34385      2382.534 49.96051 2316.168 48.02285 -0.000000      0.000000 
1 1 1 0  2  8   o 158.1067 16.15174 1.781514       0.3441871     1.824894       0.4858097     1.737795       0.4877040     157.1343 24.06769 152.5781 25.22058 0.000000       0.000000 
1 1 1 0  2  9   o 2408.503 35.15644 403.2963       11.68642      412.1497       16.96107      395.2944       16.12481      2425.780 50.68646 2376.590 49.18383 -0.000000      0.000000 
1 1 1 0  2  10  o 1018.086 20.39200 71.79987       2.864107      71.67714       4.045957      71.92316       4.054978      1015.512 28.90647 1017.254 28.92118 -0.000000      0.000000 
1 1 1 0  2  11  o 2412.997 35.19595 404.8095       11.72140      425.0384       17.52944      388.4503       15.76389      2462.822 51.59736 2356.336 48.49571 -0.000000      0.000000 
1 1 1 0  2  12  o 1096.513 29.82954 83.57357       4.508904      83.57357       4.508904      0.000000       0.000000      1096.513 29.82954 1096.513 29.82954 -0.000000      0.000000 
1 1 1 0  2  13  o 790.7283 26.36291 43.46537       2.871199      43.46537       2.871199      0.000000       0.000000      790.7283 26.36291 790.7283 26.36291 -0.000000      0.000000 
1 1 1 0  2  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  15  o 159.1026 24.50647 1.872324       0.5003911     1.872324       0.5003911     0.000000       0.000000      159.1026 24.50647 159.1026 24.50647 0.000000       0.000000 
1 1 1 0  2  16  o 1308.088 32.63583 119.0024       5.886516      0.000000       0.000000      119.0024       5.886516      1308.088 32.63583 1308.088 32.63583 -0.000000      0.000000 
1 1 1 0  2  17  o 144.4265 13.17634 1.477017       0.2577437     1.658991       0.3177273     1.126805       0.4407728     152.6251 15.43830 116.5818 31.67541 0.000000       0.000000 
1 1 1 0  2  18  o 996.3271 16.49877 68.68736       2.268417      67.25914       3.872828      69.43325       2.798756      983.7106 28.56618 1001.164 20.26392 -0.000000      0.000000 
1 1 1 0  2  19  o 127.7805 11.43476 1.154883       0.1980418     1.098584       0.2784281     1.212533       0.2817481     122.4683 17.49968 129.3880 16.50273 0.000000       0.000000 
1 1 1 0  2  20  o 434.1606 11.74214 13.05172       0.7027759     13.43723       1.003280      12.68035       0.9847305     439.9216 16.56950 427.2710 16.74921 -0.000000      0.000000 
1 1 1 0  2  21  o 86.70831 12.13237 0.5490738      0.1371148     0.5181585      0.1933181     0.5803704      0.1945065     79.92043 20.25916 86.23354 18.62218 0.000000       0.000000 
1 1 1 0  2  22  o 799.9252 13.22965 44.25431       1.460386      45.02295       2.079345      43.50609       2.051532      806.1603 18.70232 792.4313 18.77282 0.000000       0.000000 
1 1 1 0  2  23  o 189.7065 11.48386 2.513575       0.2982960     2.368725       0.4199445     2.661090       0.4237903     182.7679 16.97671 194.2345 16.05337 -0.000000      0.000000 
1 1 1 0  2  24  o 228.8916 11.26591 3.645743       0.3541017     3.613920       0.4995080     3.677890       0.5020525     226.9366 16.12755 228.9813 16.06002 -0.000000      0.000000 
1 1 1 0  2  25  o 430.8073 11.83130 12.85196       0.7026067     11.00362       0.9754528     14.84484       1.012875      397.6992 17.84468 462.5762 15.90009 0.000000       0.000000 
1 1 1 0  2  26  o 623.6054 12.48193 26.90302       1.073833      23.93039       1.462279      30.38251       1.582040      587.4070 18.06693 662.1772 17.32918 0.000000       0.000000 
1 1 1 0  2  27  o 159.9445 11.31670 1.793774       0.2470607     1.448278       0.3472028     2.148142       0.3516326     141.1182 18.74158 174.4238 14.84725 0.000000       0.000000 
1 1 1 0  2  28  o 1502.469 17.59746 156.1720       3.649718      159.0504       5.245773      153.4715       5.081125      1514.672 25.09700 1487.933 24.74624 -0.000000      0.000000 
1 1 1 0  2  29  o 349.1994 11.41505 8.451610       0.5490811     9.333064       0.7876104     7.618122       0.7658816     366.4396 15.63047 330.6471 16.87518 -0.000000      0.000000 
1 1 1 0  2  30  o 1890.857 20.52959 247.4839       5.358727      249.4983       7.635260      245.5285       7.522763      1896.050 29.17884 1880.961 28.97957 0.000000       0.000000 
1 1 1 0  2  31  o 621.4654 12.25761 26.71743       1.050944      27.06470       1.491017      26.37455       1.481546      624.8912 17.30990 616.8376 17.42573 0.000000       0.000000 
1 1 1 0  2  32  o 1024.006 14.34884 72.51799       2.027986      73.33752       2.892346      71.72548       2.844268      1028.901 20.37620 1017.536 20.26149 -0.000000      0.000000 
1 1 1 0  2  33  o 302.7243 11.23722 6.357455       0.4682568     6.469078       0.6648156     6.247562       0.6596448     304.6601 15.90222 299.3255 16.06557 -0.000000      0.000000 
1 1 1 0  2  34  o 357.6931 11.73499 8.868476       0.5781906     9.471968       0.8171881     8.263514       0.8181829     369.0891 16.10416 344.3884 17.30505 0.000000       0.000000 
1 1 1 0  2  35  o 1166.167 15.23575 94.06165       2.452425      95.94547       3.522824      92.29017       3.416140      1176.711 21.69784 1154.102 21.45320 -0.000000      0.000000 
1 1 1 0  2  36  o 501.2330 11.81089 17.38822       0.8164235     16.61866       1.139476      18.20003       1.170336      489.3464 16.90940 512.2260 16.58608 0.000000       0.000000 
1 1 1 0  2  37  o 311.0575 16.43388 6.746463       0.7013603     0.000000       0.000000      6.746463       0.7013603     311.0575 16.43388 311.0575 16.43388 0.000000       0.000000 
1 1 1 0  2  38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  39  o 651.6426 17.51033 29.43703       1.573013      0.000000       0.000000      29.43703       1.573013      651.6426 17.51033 651.6426 17.51033 -0.000000      0.000000 
1 1 1 0  2  40  o 644.0983 12.38842 28.70277       1.100888      27.97078       1.539397      29.46901       1.574997      635.1384 17.58318 651.9741 17.52352 0.000000       0.000000 
1 1 1 0  2  41  f 314.0818 11.35098 6.843241       0.4908233     6.756850       0.6916158     6.930898       0.6966699     311.3106 16.18910 315.3439 16.09513 0.000000       0.000000 
1 1 1 0  2  42  o 669.4841 12.44721 31.01040       1.149772      31.04869       1.629063      30.97240       1.623000      669.1826 17.65791 668.3654 17.61363 -0.000000      0.000000 
1 1 1 0  2  43  o 500.5619 11.80807 17.34566       0.8151333     17.90591       1.163530      16.80566       1.142308      507.9372 16.62974 491.9959 16.85937 -0.000000      0.000000 
1 1 1 0  2  44  o 116.1162 11.60134 0.9593898      0.1817520     0.9348936      0.2575641     0.9836861      0.2565114     112.1527 18.02888 115.6001 17.18793 -0.000000      0.000000 
1 1 1 0  2  45  o 254.8210 11.22121 4.513711       0.3930902     4.584149       0.5554488     4.443038       0.5563794     255.9563 15.85535 251.8758 16.14954 0.000000       0.000000 
1 1 1 0  2  46  o 268.5501 11.27336 5.010950       0.4163640     4.690510       0.5843301     5.341448       0.5934305     258.7808 16.50664 276.5356 15.65584 0.000000       0.000000 
1 1 1 0  2  47  o 153.7525 11.34720 1.660545       0.2378906     1.718961       0.3376085     1.602938       0.3352601     155.1368 16.16174 149.4267 16.79388 -0.000000      0.000000 
1 1 1 0  2  48  o 78.71206 13.17090 0.4627011      0.1311028     0.5315045      0.1854493     0.3939598      0.1853656     81.90037 18.83507 66.25850 22.58549 0.000000       0.000000 
1 1 1 0  2  49  o 98.43835 12.17995 0.7001339      0.1587463     0.6274917      0.2248692     0.7723024      0.2241350     88.51605 21.20996 101.3565 17.60693 -0.000000      0.000000 
1 1 1 0  2  50  o 112.6764 11.77373 0.9062721      0.1786045     0.9355212      0.2516864     0.8766015      0.2534931     112.3782 17.47917 107.9894 18.67480 0.000000       0.000000 
1 1 1 0  2  51  o 163.3174 11.35065 1.871054       0.2531318     1.833712       0.3586088     1.908137       0.3573594     160.1650 16.62513 163.6274 16.17953 -0.000000      0.000000 
1 1 1 0  2  52  o 448.8322 11.66030 13.96383       0.7215539     14.15259       1.024804      13.77826       1.016115      450.9688 16.50739 444.9226 16.59178 -0.000000      0.000000 
1 1 1 0  2  53  o 110.6852 11.84970 0.8763812      0.1758690     0.8635027      0.2490511     0.8891908      0.2483828     107.1354 18.48635 109.0916 17.94958 -0.000000      0.000000 
1 1 1 0  2  54  o 162.7078 11.39247 1.858751       0.2530732     1.908088       0.3574623     1.809171       0.3583384     163.5118 16.19694 158.8995 16.75823 0.000000       0.000000 
1 1 1 0  2  55  o 257.1423 11.28064 4.603255       0.3987854     4.564173       0.5626211     4.642714       0.5653238     254.9322 16.13088 257.1596 16.06417 0.000000       0.000000 
1 1 1 0  2  56  o 162.2601 11.42108 1.849808       0.2529799     1.854991       0.3587611     1.844681       0.3567823     160.9497 16.54314 160.5043 16.49757 -0.000000      0.000000 
1 1 1 0  2  57  o 426.2927 11.68167 12.61659       0.6864563     12.98072       0.9768123     12.26129       0.9648891     431.2500 16.45821 418.9967 16.73810 -0.000000      0.000000 
1 1 1 0  2  58  o 83.84164 20.59710 0.5690299      0.2064926     0.5690299      0.2064926     0.000000       0.000000      83.84164 20.59710 83.84164 20.59710 -0.000000      0.000000 
1 1 1 0  2  59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  60  o 52.89802 21.49823 0.2721530      0.1540253     0.2721530      0.1540253     0.000000       0.000000      52.89802 21.49823 52.89802 21.49823 0.000000       0.000000 
1 1 1 0  2  61  o 78.92952 13.55509 0.4687760      0.1346559     0.4640431      0.1898241     0.4735700      0.1910461     73.73800 21.47449 74.71526 21.36376 -0.000000      0.000000 
1 1 1 0  2  62  o 49.35761 16.59578 0.2182264      0.1010400     0.2195513      0.1415370     0.2168496      0.1442870     46.65044 20.75337 46.20918 20.95123 -0.000000      0.000000 
1 1 1 0  2  63  o 222.0880 11.36964 3.450485       0.3465805     3.503855       0.4909048     3.397446       0.4893766     222.3331 16.18745 218.7983 16.41022 0.000000       0.000000 
1 1 1 0  2  64  o 213.4663 11.39660 3.190892       0.3337381     2.998631       0.4705929     3.385431       0.4733732     205.0978 16.87981 218.5356 15.87983 0.000000       0.000000 
1 1 1 0  2  65  o 57.25054 15.81157 0.2741633      0.1081016     0.2878177      0.1519092     0.2601547      0.1538670     54.94852 21.14285 51.22913 21.57936 -0.000000      0.000000 
1 1 1 0  2  66  o 193.3852 11.43256 2.624656       0.3028419     2.695981       0.4286634     2.553583       0.4279040     194.4466 16.22525 188.9517 16.70060 -0.000000      0.000000 
1 1 1 0  2  67  o 72.83212 14.42758 0.4093236      0.1289413     0.4154307      0.1823144     0.4032117      0.1823867     68.55403 21.86218 67.07810 22.15945 -0.000000      0.000000 
1 1 1 0  2  68  o 200.0682 11.45825 2.806808       0.3141688     2.804169       0.4444117     2.809443       0.4441919     198.3363 16.48949 198.5363 16.46335 0.000000       0.000000 
1 1 1 0  2  69  o 135.6937 11.86986 1.307834       0.2184896     1.333653       0.3089588     1.282004       0.3090231     134.9405 17.37253 131.9528 17.88675 -0.000000      0.000000 
1 1 1 0  2  70  o 446.9810 11.82082 13.90576       0.7284293     13.44912       1.024297      14.37298       1.036114      437.6713 17.00716 452.6815 16.62678 0.000000       0.000000 
1 1 1 0  2  71  f 162.5692 11.68835 1.862945       0.2592626     2.100468       0.3677318     1.628190       0.3655830     171.4104 15.84802 149.2796 18.49960 -0.000000      0.000000 
1 1 1 0  2  72  o 461.5154 11.89204 14.81875       0.7567080     15.55272       1.079708      14.11021       1.060835      471.1281 16.64410 448.4405 17.18922 -0.000000      0.000000 
1 1 1 0  2  73  o 175.8880 11.65832 2.175254       0.2802914     1.965683       0.3957940     2.386097       0.3969926     164.9050 17.91825 182.9472 15.99649 0.000000       0.000000 
1 1 1 0  2  74  o 253.4083 11.54067 4.484238       0.4019146     4.678412       0.5693852     4.291412       0.5674061     257.5046 16.15925 246.2490 16.86887 -0.000000      0.000000 
1 1 1 0  2  75  o 193.0029 11.61611 2.613176       0.3070045     2.708349       0.4358479     2.519454       0.4325113     195.0035 16.45619 187.7303 17.00585 0.000000       0.000000 
1 1 1 0  2  76  o 155.3230 11.83950 1.703614       0.2505334     1.794666       0.3556699     1.613943       0.3529611     157.7701 16.80608 148.9150 17.84290 0.000000       0.000000 
1 1 1 0  2  77  o 195.9835 11.68724 2.694609       0.3137029     2.310122       0.4398098     3.092798       0.4475779     179.0523 18.22134 208.8760 15.72306 -0.000000      0.000000 
1 1 1 0  2  78  o 229.5883 13.44752 3.704104       0.4229668     3.585260       0.5173182     3.943756       0.7346154     224.6794 16.89425 233.0155 23.37085 -0.000000      0.000000 
1 1 1 0  2  79  o 38.90942 20.25307 0.1551563      0.1416939     0.1551563      0.1416939     0.000000       0.000000      38.90942 20.25307 38.90942 20.25307 -0.000000      0.000000 
1 1 1 0  2  80  o 157.2855 17.59864 1.794662       0.3699435     1.794662       0.3699435     0.000000       0.000000      157.2855 17.59864 157.2855 17.59864 0.000000       0.000000 
1 1 1 0  2  81  o 244.6363 11.73076 4.188376       0.3941874     4.299499       0.5583192     4.077932       0.5566151     246.2469 16.59295 239.5631 17.02413 -0.000000      0.000000 
1 1 1 0  2  82  o 44.76908 18.58606 0.1970090      0.1144206     0.3383644      0.1667047     0.7110161E-01  0.1573320     60.28028 21.82162 32.02546 19.36389 0.000000       0.000000 
1 1 1 0  2  83  o 116.2429 12.93318 0.9753006      0.2010178     1.007290       0.2873285     0.9446325      0.2813305     114.9651 19.88350 110.7504 20.44869 0.000000       0.000000 
1 1 1 0  2  84  f 204.1089 11.90327 2.929431       0.3328685     2.730355       0.4710283     3.128032       0.4704665     194.6903 17.86719 209.2897 16.51616 0.000000       0.000000 
1 1 1 0  2  85  o 86.26201 15.05065 0.5642784      0.1629326     0.6624489      0.2300190     0.4654177      0.2308263     90.54692 21.16457 70.10655 25.78269 -0.000000      0.000000 
1 1 1 0  2  86  o 310.5903 11.84744 6.748330       0.5064232     7.012381       0.7185462     6.487713       0.7138579     314.6659 16.64374 302.2891 17.23023 -0.000000      0.000000 
1 1 1 0  2  87  o 106.2878 13.61741 0.8261358      0.1908705     0.8272220      0.2728462     0.8250946      0.2671087     101.8468 22.13709 102.0775 21.53372 -0.000000      0.000000 
1 1 1 0  2  88  o 272.4560 11.91020 5.202038       0.4461294     5.620591       0.6362384     4.797188       0.6257374     281.4106 16.50341 259.2172 17.67048 -0.000000      0.000000 
1 1 1 0  2  89  o 160.1006 12.37627 1.818946       0.2698426     1.890048       0.3797118     1.746401       0.3835472     161.0889 17.60508 154.0697 18.77265 0.000000       0.000000 
1 1 1 0  2  90  o 59.67239 19.00472 0.3150963      0.1379124     0.3570252      0.1995251     0.2767383      0.1908399     60.02000 24.48124 51.49385 24.05751 -0.000000      0.000000 
1 1 1 0  2  91  o 115.4431 13.69985 0.9695917      0.2102812     1.080603       0.3005960     0.8632039      0.2942699     119.0635 19.97288 103.1506 23.73116 -0.000000      0.000000 
1 1 1 0  2  92  o 104.1060 14.40280 0.8000224      0.1957385     0.6391012      0.2738611     0.9680812      0.2798688     84.42426 26.71251 112.2446 19.93123 0.000000       0.000000 
1 1 1 0  2  93  o 118.3179 13.81594 1.017838       0.2176767     1.071614       0.3065422     0.9631395      0.3091573     118.0827 20.70363 110.0128 23.11209 0.000000       0.000000 
1 1 1 0  2  94  o 33.72595 18.29831 0.1142762      0.1197782     0.5138775E-01  0.1694097     0.1771383      0.1693742     31.38256 19.48985 41.35563 21.97355 -0.000000      0.000000 
1 1 1 0  2  95  o 181.9097 12.59186 2.343870       0.3128085     2.125614       0.4401110     2.566682       0.4446806     170.0445 19.39616 188.4019 17.43658 -0.000000      0.000000 
1 1 1 0  2  96  o 81.40446 18.16785 0.5292053      0.1783850     0.5091167      0.2513338     0.5495975      0.2532257     72.90281 26.93566 76.93736 26.48831 -0.000000      0.000000 
1 1 1 0  2  97  o 111.0934 14.89696 0.9108589      0.2169839     1.146924       0.3095801     0.6829073      0.3042136     122.7746 19.80724 85.92138 28.74659 0.000000       0.000000 
1 1 1 0  2  98  o 14.22998 9.664074 -0.3068615E-01 0.5730636E-01 0.000000       0.000000      -0.3068615E-01 0.5730636E-01 14.22998 9.664074 14.22998 9.664074 0.000000       0.000000 
1 1 1 0  2  99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  100 o 96.08880 26.26577 0.7988988      0.3012990     0.7988988      0.3012990     0.000000       0.000000      96.08880 26.26577 96.08880 26.26577 0.000000       0.000000 
1 1 1 0  2  101 o 123.3626 14.93076 1.121709       0.2444302     1.195344       0.3450984     1.047578       0.3462574     123.0089 22.55744 112.3713 25.60687 -0.000000      0.000000 
1 1 1 0  2  102 o 50.49873 22.76950 0.2690623      0.1703171     0.1625229      0.2357688     0.3853378      0.2463061     41.45258 24.35470 59.50233 27.35378 -0.000000      0.000000 
1 1 1 0  2  103 o 107.9801 17.21550 0.8948541      0.2371340     1.339593       0.3395887     0.4716073      0.3312817     131.6013 20.07365 63.65390 31.42890 0.000000       0.000000 
1 1 1 0  2  104 o 141.8321 14.75555 1.482476       0.2818186     1.150659       0.3941813     1.829428       0.4030708     114.0921 28.93703 154.5871 19.76692 -0.000000      0.000000 
1 1 1 0  2  105 o 17.69253 12.48419 -0.1372521     0.1220873     -0.3417571     0.1854012     0.1932075E-01  0.1622254     18.74915 13.56618 28.25643 18.16652 0.000000       0.000000 
1 1 1 0  2  106 o 54.80167 23.90452 0.3231665      0.1879116     0.1647531      0.2604725     0.4950946      0.2713559     41.47200 24.99518 66.95860 28.69850 -0.000000      0.000000 
1 1 1 0  2  107 o 20.22441 13.91811 -0.8203559E-01 0.1278181     -0.1096660     0.1722187     -0.4815055E-01 0.1907177     23.29831 16.06438 27.06797 18.16002 -0.000000      0.000000 
1 1 1 0  2  108 o 43.82597 22.37713 0.2179593      0.1708240     0.4857816      0.2513098     -0.1206592E-01 0.2329023     67.04388 27.49690 31.33742 20.71262 0.000000       0.000000 
1 1 1 0  2  109 f 14.43763 10.39678 -0.1746675     0.1028136     -0.1437469     0.1646496     -0.1944301     0.1316311     21.48317 15.01822 16.96722 12.14623 0.000000       0.000000 
1 1 1 0  2  110 o 33.24987 19.67378 0.1047998      0.1557918     0.3248796E-02  0.2101558     0.2286916      0.2321243     30.46885 19.97942 44.52773 24.99477 -0.000000      0.000000 
1 1 1 0  2  111 o 27.67045 17.76653 0.2334162E-01  0.1545458     -0.1103965     0.2098950     0.1816965      0.2283969     26.15055 17.95572 41.15596 24.06983 -0.000000      0.000000 
1 1 1 0  2  112 o 41.07933 21.56804 0.1907928      0.1617407     0.1584720      0.2355042     0.2196478      0.2225194     39.89738 23.90659 43.78813 24.51545 0.000000       0.000000 
1 1 1 0  2  113 o 51.59800 22.94562 0.2908943      0.1730206     0.4327831      0.2407240     0.1392588      0.2488547     62.25135 27.05417 39.19452 24.00955 -0.000000      0.000000 
1 1 1 0  2  114 o 22.76512 15.22558 -0.3294003E-01 0.1322550     -0.5830660E-01 0.1966572     -0.1199380E-01 0.1787030     26.94751 18.18569 27.57172 18.19703 0.000000       0.000000 
1 1 1 0  2  115 o 51.35524 22.71870 0.2898998      0.1696465     0.4091456      0.2472753     0.1838633      0.2331776     58.92609 27.39170 41.04596 24.17107 0.000000       0.000000 
1 1 1 0  2  116 o 54.32125 22.73941 0.3186399      0.1710334     0.2420584      0.2489048     0.3871450      0.2354140     44.72370 25.56927 56.96458 26.70932 0.000000       0.000000 
1 1 1 0  2  117 o 27.80949 18.23758 0.8872386E-02  0.1751793     0.000000       0.000000      0.8872386E-02  0.1751793     27.80949 18.23758 27.80949 18.23758 0.000000       0.000000 
1 1 1 0  2  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  1   o 752.7340 26.01470 39.39475       2.696626      39.39475       2.696626      0.000000       0.000000      752.7340 26.01470 752.7340 26.01470 -0.000000      0.000000 
1 1 1 0  3  2   o 1709.638 27.16966 202.7160       6.410309      198.2800       8.845489      207.6226       9.302891      1687.148 38.01270 1726.065 39.07740 -0.000000      0.000000 
1 1 1 0  3  3   o 194.1982 15.92908 2.659225       0.4205318     2.485495       0.5937493     2.834098       0.5956989     184.7992 24.46353 198.6517 22.45647 -0.000000      0.000000 
1 1 1 0  3  4   f 172.2689 16.01070 2.104114       0.3732895     2.080420       0.5296754     2.127494       0.5261643     168.3627 24.24404 170.6134 23.62734 -0.000000      0.000000 
1 1 1 0  3  5   o 113.5208 17.11877 0.9495392      0.2503105     0.9480113      0.3541574     0.9510642      0.3538276     107.9889 27.47067 108.2533 27.37305 0.000000       0.000000 
1 1 1 0  3  6   o 482.8850 16.64811 16.17905       1.107069      16.11494       1.564038      16.24343       1.567231      480.6974 23.69468 482.6336 23.64620 0.000000       0.000000 
1 1 1 0  3  7   o 266.0733 15.95989 4.946638       0.5815351     4.757166       0.8228858     5.135677       0.8219447     259.0074 23.45061 269.6375 22.43346 -0.000000      0.000000 
1 1 1 0  3  8   o 388.3423 16.31823 10.48130       0.8715224     9.790381       1.224306      11.19108       1.240899      373.7467 23.94876 400.1832 22.62171 -0.000000      0.000000 
1 1 1 0  3  9   o 1229.753 22.26623 104.7794       3.778167      105.4072       5.368829      104.1636       5.317805      1231.234 31.62635 1223.966 31.51200 -0.000000      0.000000 
1 1 1 0  3  10  o 494.7605 16.74642 16.98278       1.141105      17.08244       1.615600      16.88357       1.611939      495.0030 23.76158 492.0752 23.85127 -0.000000      0.000000 
1 1 1 0  3  11  o 1093.401 21.00058 82.81934       3.168015      81.69442       4.434751      83.99165       4.527177      1084.116 29.67507 1099.237 29.87613 0.000000       0.000000 
1 1 1 0  3  12  o 243.0166 16.00040 4.135442       0.5315741     4.288156       0.7506245     3.981800       0.7528992     245.8576 22.54657 236.3571 23.60943 0.000000       0.000000 
1 1 1 0  3  13  o 152.8055 16.35935 1.668918       0.3351942     1.653493       0.4719225     1.684623       0.4761786     148.5822 25.17093 150.1205 25.07477 0.000000       0.000000 
1 1 1 0  3  14  o 1030.474 20.51387 73.55959       2.916314      72.98111       4.098083      74.15311       4.151009      1024.689 29.01610 1032.870 29.15772 0.000000       0.000000 
1 1 1 0  3  15  o 1117.120 21.27545 86.45571       3.279150      85.96657       4.619760      86.95241       4.655279      1112.040 30.13580 1118.397 30.19451 -0.000000      0.000000 
1 1 1 0  3  16  o 511.0922 16.89250 18.12018       1.189200      17.62045       1.672203      18.63153       1.691529      502.6937 24.21875 517.0949 23.80525 0.000000       0.000000 
1 1 1 0  3  17  o 333.1352 16.17883 7.726504       0.7402254     8.012163       1.050558      7.444857       1.043154      337.9398 22.75014 325.4052 23.49747 -0.000000      0.000000 
1 1 1 0  3  18  o 93.10828 18.59922 0.6662427      0.2122086     0.6901867      0.2998855     0.6422274      0.3003315     89.26867 27.76472 84.73923 28.67641 0.000000       0.000000 
1 1 1 0  3  19  o 685.3591 17.86871 32.54960       1.688424      33.39567       2.415414      31.74115       2.361097      692.9604 25.31994 675.4920 25.39517 -0.000000      0.000000 
1 1 1 0  3  20  o 818.1929 18.78405 46.37670       2.119658      46.06655       2.993787      46.68845       3.001524      814.0316 26.69940 819.5490 26.58677 -0.000000      0.000000 
1 1 1 0  3  21  o 437.0328 16.53729 13.26197       0.9947239     13.03950       1.399699      13.48899       1.413912      432.0415 23.62377 439.5265 23.44944 0.000000       0.000000 
1 1 1 0  3  22  o 1068.120 20.81263 79.03591       3.066994      78.88006       4.332367      79.19249       4.342421      1065.242 29.50484 1067.352 29.51468 -0.000000      0.000000 
1 1 1 0  3  23  o 110.7093 17.70030 0.9097328      0.2498510     1.023754       0.3537212     0.7961987      0.3529653     113.8664 25.79942 95.42159 30.41221 0.000000       0.000000 
1 1 1 0  3  24  o 65.69905 16.27674 0.3478622      0.1278054     0.2994470      0.2211235     0.3721493      0.1566146     54.29318 25.83672 66.06055 19.71870 -0.000000      0.000000 
1 1 1 0  3  25  o 175.1569 13.23509 2.156157       0.3159026     2.548959       0.5480103     1.960669       0.3866003     188.2160 21.85441 165.7310 17.32707 -0.000000      0.000000 
1 1 1 0  3  26  o 443.3345 13.58630 13.62118       0.8299396     13.36538       1.013838      14.14082       1.445015      438.6964 16.79243 450.1089 23.39394 0.000000       0.000000 
1 1 1 0  3  27  o 961.1092 16.31389 63.92094       2.163645      63.19343       2.630823      65.44144       3.803346      955.0756 19.96846 970.2527 28.44385 0.000000       0.000000 
1 1 1 0  3  28  o 1310.256 18.87020 118.8272       3.412459      116.8903       5.842539      119.8301       4.204077      1296.251 32.68881 1314.938 23.17030 -0.000000      0.000000 
1 1 1 0  3  29  o 501.4280 12.32015 17.40456       0.8518630     17.09655       1.190832      17.72736       1.219098      496.3052 17.42526 505.3976 17.51668 0.000000       0.000000 
1 1 1 0  3  30  o 536.4795 12.12443 19.91708       0.8971214     20.24759       1.267692      19.58549       1.269753      540.3142 17.02972 531.3334 17.34860 0.000000       0.000000 
1 1 1 0  3  31  o 1155.266 15.36341 92.31541       2.449823      91.22588       3.448597      93.42533       3.480773      1147.352 21.78517 1161.128 21.72706 -0.000000      0.000000 
1 1 1 0  3  32  o 803.7036 13.32559 44.67845       1.477921      45.68170       2.105209      43.70351       2.075303      811.9534 18.79976 794.1263 18.95016 0.000000       0.000000 
1 1 1 0  3  33  o 541.6426 17.16886 20.35092       1.281159      0.000000       0.000000      20.35092       1.281159      541.6426 17.16886 541.6426 17.16886 0.000000       0.000000 
1 1 1 0  3  34  o 115.7062 27.94406 1.074257       0.3870523     0.000000       0.000000      1.074257       0.3870523     115.7062 27.94406 115.7062 27.94406 0.000000       0.000000 
1 1 1 0  3  35  o 173.4736 16.43676 2.136425       0.3855988     2.136425       0.3855988     0.000000       0.000000      173.4736 16.43676 173.4736 16.43676 0.000000       0.000000 
1 1 1 0  3  36  o 116.4372 13.88250 0.9763517      0.2148237     1.032263       0.2623730     0.8626355      0.3741800     118.6746 17.02838 99.74308 31.00820 0.000000       0.000000 
1 1 1 0  3  37  o 156.2479 11.46061 1.714006       0.2442059     1.918672       0.3466657     1.512395       0.3440676     164.3963 15.59382 144.6159 17.97918 -0.000000      0.000000 
1 1 1 0  3  38  o 107.4729 12.08772 0.8280295      0.1735476     0.7644790      0.2448191     0.8922216      0.2460522     99.61864 20.08473 109.5737 17.63140 0.000000       0.000000 
1 1 1 0  3  39  o 679.4261 12.64391 31.94004       1.185284      30.50952       1.652649      33.45527       1.700880      663.2537 18.07560 694.6550 17.75859 0.000000       0.000000 
1 1 1 0  3  40  o 660.5744 12.55330 30.19467       1.144099      28.65939       1.592265      31.83337       1.645025      642.7645 17.97190 677.5620 17.60958 0.000000       0.000000 
1 1 1 0  3  41  o 127.1309 11.72910 1.145256       0.2018699     1.449010       0.2877672     0.8509411      0.2832604     142.4266 15.01404 104.4351 22.36764 -0.000000      0.000000 
1 1 1 0  3  42  o 340.7854 11.59396 8.054740       0.5441388     6.624809       0.7519450     9.626706       0.7884063     307.8300 17.82720 372.0944 15.40474 0.000000       0.000000 
1 1 1 0  3  43  o 302.3892 11.39699 6.347080       0.4743424     6.337543       0.6703746     6.356643       0.6712692     301.3306 16.21887 301.7889 16.21547 0.000000       0.000000 
1 1 1 0  3  44  o 578.3431 12.20917 23.15572       0.9740306     22.78301       1.369488      23.53727       1.385628      572.8661 17.34880 582.3119 17.26705 0.000000       0.000000 
1 1 1 0  3  45  o 200.5548 11.34356 2.807058       0.3118395     2.663097       0.4407422     2.951366       0.4412737     194.0029 16.73945 204.6929 15.83005 -0.000000      0.000000 
1 1 1 0  3  46  o 145.1872 11.47098 1.484404       0.2266656     1.517877       0.3204602     1.450892       0.3206471     145.3305 16.52028 141.7839 17.02826 0.000000       0.000000 
1 1 1 0  3  47  f 28.39145 14.09928 0.8201198E-01  0.6682740E-01 0.5828980E-01  0.9582324E-01 0.1044752      0.9324589E-01 26.71027 15.60410 32.12680 16.50396 0.000000       0.000000 
1 1 1 0  3  48  o 183.5615 11.46005 2.357201       0.2878783     2.406338       0.4080074     2.308489       0.4062412     184.2557 16.33159 180.2879 16.64459 -0.000000      0.000000 
1 1 1 0  3  49  o 91.89041 12.75730 0.6169785      0.1529575     0.5822603      0.2157077     0.6520903      0.2169267     84.67938 21.33075 91.37182 19.58001 -0.000000      0.000000 
1 1 1 0  3  50  f 75.11389 13.77060 0.4275641      0.1286503     0.4742765      0.1813156     0.3802037      0.1825688     75.95624 20.00924 64.72853 22.58370 -0.000000      0.000000 
1 1 1 0  3  51  o 150.1173 11.50764 1.586619       0.2353131     1.668953       0.3335833     1.505070       0.3319885     152.5920 16.30085 144.2701 17.32673 0.000000       0.000000 
1 1 1 0  3  52  o 159.4209 11.44570 1.786048       0.2489724     1.811483       0.3523766     1.760692       0.3518243     159.0872 16.44346 156.6678 16.74566 -0.000000      0.000000 
1 1 1 0  3  53  o 74.09949 13.78750 0.4174329      0.1267321     0.3699510      0.1800113     0.4640954      0.1784513     63.59331 22.52995 74.97446 19.94966 0.000000       0.000000 
1 1 1 0  3  54  o 106.6018 12.30775 0.8180752      0.1748866     0.6888933      0.2461727     0.9497086      0.2484978     92.51770 22.21868 113.3178 17.01180 -0.000000      0.000000 
1 1 1 0  3  55  o 397.9185 11.66031 10.99786       0.6394369     11.84573       0.9172059     10.19608       0.8919247     411.9028 16.18301 381.7734 16.99605 -0.000000      0.000000 
1 1 1 0  3  56  o 459.4673 16.82650 14.75179       1.064297      0.000000       0.000000      14.75179       1.064297      459.4673 16.82650 459.4673 16.82650 0.000000       0.000000 
1 1 1 0  3  57  o 75.11077 29.90646 0.5485480      0.2998627     0.000000       0.000000      0.5485480      0.2998627     75.11077 29.90646 75.11077 29.90646 -0.000000      0.000000 
1 1 1 0  3  58  o 51.48549 21.78581 0.2623098      0.1567069     0.2623098      0.1567069     0.000000       0.000000      51.48549 21.78581 51.48549 21.78581 0.000000       0.000000 
1 1 1 0  3  59  o 224.0589 11.40615 3.509579       0.3508028     3.447542       0.4947731     3.572291       0.4974580     220.5594 16.45647 224.6548 16.23093 0.000000       0.000000 
1 1 1 0  3  60  o 168.9127 11.55516 2.007781       0.2666151     1.875302       0.3764615     2.141092       0.3776425     161.1242 17.43831 173.0201 16.12903 -0.000000      0.000000 
1 1 1 0  3  61  o 289.9799 11.46131 5.865179       0.4572949     5.702485       0.6435558     6.031105       0.6499163     284.3388 16.51884 292.6105 16.19881 0.000000       0.000000 
1 1 1 0  3  62  o 113.3190 12.14070 0.9222339      0.1844655     0.9139732      0.2606842     0.9305185      0.2610635     109.8284 18.85831 111.0254 18.59721 0.000000       0.000000 
1 1 1 0  3  63  o 196.6256 11.48476 2.712711       0.3093824     2.750749       0.4386449     2.675056       0.4364292     196.3777 16.44160 193.5358 16.61267 -0.000000      0.000000 
1 1 1 0  3  64  o 27.50602 14.61695 0.7594076E-01  0.7495610E-01 0.1119270      0.1040786     0.3716287E-01  0.1080402     33.16112 17.33121 25.65059 15.76327 -0.000000      0.000000 
1 1 1 0  3  65  o 115.9076 12.10491 0.9635376      0.1888992     0.9101763      0.2666586     1.017289       0.2676317     109.1945 19.55129 116.7877 17.82946 0.000000       0.000000 
1 1 1 0  3  66  f 199.9148 11.52621 2.803015       0.3157574     2.844605       0.4477831     2.761881       0.4453237     199.7922 16.48965 196.7401 16.66772 -0.000000      0.000000 
1 1 1 0  3  67  f 125.6061 11.99421 1.125399       0.2036700     1.162562       0.2884387     1.088444       0.2876287     125.4452 17.65749 120.7352 18.55618 -0.000000      0.000000 
1 1 1 0  3  68  o 148.6548 11.79427 1.563203       0.2385906     1.617290       0.3373658     1.509083       0.3374705     149.4051 16.91178 143.7908 17.71879 0.000000       0.000000 
1 1 1 0  3  69  o 199.4608 11.63119 2.789929       0.3178534     2.662183       0.4490630     2.918189       0.4499635     192.9833 17.16422 202.5600 16.33162 -0.000000      0.000000 
1 1 1 0  3  70  o 78.69025 14.45056 0.4712685      0.1413893     0.3888420      0.1987041     0.5558033      0.2012290     64.19408 24.02986 82.71223 20.34786 -0.000000      0.000000 
1 1 1 0  3  71  o 155.8838 11.83321 1.715619       0.2513325     1.635507       0.3545194     1.796566       0.3563635     149.9800 17.77614 157.8526 16.83130 -0.000000      0.000000 
1 1 1 0  3  72  o 59.53316 16.98847 0.2994927      0.1210302     0.2898256      0.1698355     0.3094678      0.1725211     54.17842 22.65781 56.43126 22.72158 -0.000000      0.000000 
1 1 1 0  3  73  o 170.1510 11.76042 2.038026       0.2732781     2.036869       0.3859354     2.039189       0.3870139     168.3322 17.00153 168.4147 17.04220 -0.000000      0.000000 
1 1 1 0  3  74  o 196.8720 11.69387 2.718506       0.3153245     2.757932       0.4459346     2.679079       0.4459376     196.7255 16.69271 193.7305 16.96961 -0.000000      0.000000 
1 1 1 0  3  75  f 65.93163 16.20765 0.3517329      0.1277720     0.2859294      0.1805900     0.4176925      0.1808040     53.22685 23.43811 69.04483 21.61351 0.000000       0.000000 
1 1 1 0  3  76  o 337.4576 11.71330 7.935876       0.5443131     7.928243       0.7690372     7.943540       0.7705148     335.6967 16.68462 336.0167 16.70076 -0.000000      0.000000 
1 1 1 0  3  77  o 50.49030 22.87701 0.2600360      0.1720186     0.2600360      0.1720186     0.000000       0.000000      50.49030 22.87701 50.49030 22.87701 -0.000000      0.000000 
1 1 1 0  3  78  o 211.4335 25.17428 3.300058       0.7074730     0.000000       0.000000      3.300058       0.7074730     211.4335 25.17428 211.4335 25.17428 -0.000000      0.000000 
1 1 1 0  3  79  o 72.91912 19.96148 0.4457721      0.1737752     0.4821503      0.3169582     0.4301377      0.2077884     68.02291 31.04190 68.13244 24.23542 -0.000000      0.000000 
1 1 1 0  3  80  o 252.9918 11.71723 4.478516       0.4073262     4.563251       0.5760531     4.393785       0.5760395     253.7084 16.60655 248.7554 16.95104 -0.000000      0.000000 
1 1 1 0  3  81  o 132.7167 12.50756 1.258223       0.2245335     1.177488       0.3183272     1.338163       0.3167553     124.9461 19.98294 134.7296 17.91125 0.000000       0.000000 
1 1 1 0  3  82  o 97.67442 13.93494 0.7043815      0.1768679     0.8790375      0.2528607     0.5370743      0.2474838     107.3856 18.76879 76.53653 26.10104 0.000000       0.000000 
1 1 1 0  3  83  o 52.85482 19.10389 0.2595076      0.1278754     0.2364873      0.1817828     0.2820580      0.1799179     47.50959 23.31124 52.53419 23.39915 0.000000       0.000000 
1 1 1 0  3  84  o 217.9628 11.89384 3.338046       0.3555303     3.336952       0.5035958     3.339133       0.5019996     215.9144 17.13972 216.0149 17.07532 -0.000000      0.000000 
1 1 1 0  3  85  o 95.26234 14.51911 0.6760851      0.1778228     0.5916931      0.2541936     0.7569664      0.2488505     81.47732 25.70673 97.61751 21.04135 -0.000000      0.000000 
1 1 1 0  3  86  o 241.1067 11.90440 4.079640       0.3941245     4.420843       0.5622880     3.750106       0.5525910     249.2647 16.50251 228.7578 17.73937 -0.000000      0.000000 
1 1 1 0  3  87  o 125.6730 13.06017 1.137141       0.2210314     1.148865       0.3094809     1.124934       0.3157857     123.2370 19.69438 121.3541 20.63728 0.000000       0.000000 
1 1 1 0  3  88  o 290.3893 11.92168 5.907180       0.4761998     6.569556       0.6816008     5.275573       0.6655813     304.4682 16.31962 271.7977 17.91295 -0.000000      0.000000 
1 1 1 0  3  89  o 123.1858 13.11793 1.094682       0.2167666     1.015656       0.3096233     1.170650       0.3035747     114.0012 22.04169 124.8443 18.88957 -0.000000      0.000000 
1 1 1 0  3  90  o 127.4226 13.11623 1.169197       0.2251759     1.214082       0.3160704     1.122938       0.3208776     127.0005 19.35788 120.8550 21.17149 0.000000       0.000000 
1 1 1 0  3  91  o 88.09892 16.18343 0.5952195      0.1772672     0.6799074      0.2473666     0.5058171      0.2541586     90.58475 22.86840 72.50670 27.18894 0.000000       0.000000 
1 1 1 0  3  92  o 242.8516 12.11175 4.145113       0.4038451     3.975484       0.5677972     4.318775       0.5745084     235.4079 17.69761 245.8036 17.11726 0.000000       0.000000 
1 1 1 0  3  93  o 181.8027 12.50675 2.340021       0.3105546     2.029303       0.4387202     2.652075       0.4396622     165.7582 19.93098 191.8697 16.89630 -0.000000      0.000000 
1 1 1 0  3  94  o 71.92056 18.87276 0.4302936      0.1619387     0.5574135      0.2267067     0.2978594      0.2313971     80.03855 23.59899 52.81340 26.23457 0.000000       0.000000 
1 1 1 0  3  95  o 109.4033 14.78763 0.8833957      0.2118989     0.9321364      0.3031189     0.8368115      0.2963368     107.8467 23.19149 100.5347 24.64768 -0.000000      0.000000 
1 1 1 0  3  96  o 174.1512 12.85593 2.156108       0.3052765     1.833065       0.4304749     2.482934       0.4329885     156.3582 21.00309 185.0796 17.28935 -0.000000      0.000000 
1 1 1 0  3  97  o 220.0654 17.98597 3.503810       0.5381428     0.000000       0.000000      3.503810       0.5381428     220.0654 17.98597 220.0654 17.98597 0.000000       0.000000 
1 1 1 0  3  98  o 45.59042 27.36266 0.1771263      0.3095403     0.000000       0.000000      0.1771263      0.3095403     45.59042 27.36266 45.59042 27.36266 -0.000000      0.000000 
1 1 1 0  3  99  o 60.60041 27.06551 0.3892363      0.2406942     0.3892363      0.2406942     0.000000       0.000000      60.60041 27.06551 60.60041 27.06551 0.000000       0.000000 
1 1 1 0  3  100 o 156.7840 13.52352 1.771865       0.2877609     1.279258       0.4047554     2.275328       0.4091916     124.3609 26.87322 176.0337 17.21195 -0.000000      0.000000 
1 1 1 0  3  101 o 209.7807 13.10770 3.145293       0.3762932     4.616648       0.5447505     1.802529       0.5204019     252.8986 15.73930 147.7535 28.58715 0.000000       0.000000 
1 1 1 0  3  102 o 93.67499 18.85401 0.7011502      0.2161641     0.4224765      0.3013006     0.9967249      0.3103027     60.42083 29.94915 110.2275 23.15175 -0.000000      0.000000 
1 1 1 0  3  103 o 74.33331 21.53523 0.4894196      0.1918085     0.6393399      0.2775687     0.3523984      0.2653593     81.28259 27.60106 55.11260 27.94566 0.000000       0.000000 
1 1 1 0  3  104 o 36.13657 20.65552 0.1333487      0.1623862     -0.4241416E-01 0.2196570     0.3451748      0.2411411     29.50854 19.69977 54.73890 26.85044 -0.000000      0.000000 
1 1 1 0  3  105 o 91.02982 19.48457 0.6795678      0.2150954     0.3003213      0.2938422     1.117378       0.3157159     50.37994 28.18524 117.3425 21.65739 -0.000000      0.000000 
1 1 1 0  3  106 o 49.17607 22.61759 0.2656626      0.1684050     0.3807326      0.2256232     0.1209154      0.2530510     58.37886 26.20679 38.60028 23.90506 -0.000000      0.000000 
1 1 1 0  3  107 o 55.18833 23.17885 0.3229992      0.1776093     0.2882536      0.2373912     0.3671781      0.2676834     49.30332 26.06321 55.18038 28.04807 -0.000000      0.000000 
1 1 1 0  3  108 o 32.96459 19.60543 0.1007429      0.1561133     0.8125304E-01  0.2052891     0.1274696      0.2403999     34.11228 21.30425 38.27110 23.51652 -0.000000      0.000000 
1 1 1 0  3  109 o 66.28074 22.81232 0.4247987      0.1878545     0.3883361      0.2546986     0.4682960      0.2781852     57.24427 27.67379 63.21182 29.06956 -0.000000      0.000000 
1 1 1 0  3  110 o 82.20585 20.61517 0.5809577      0.2024134     0.8047075      0.2957040     0.3836827      0.2776591     93.34447 26.48413 56.04882 28.54881 0.000000       0.000000 
1 1 1 0  3  111 o 24.02741 15.82732 -0.1252664E-01 0.1341348     -0.2007369     0.1821314     0.2105549      0.1982873     21.37803 15.11633 42.89566 23.45480 -0.000000      0.000000 
1 1 1 0  3  112 f 95.13105 18.11517 0.7280068      0.2128926     0.4993800      0.2957206     0.9739774      0.3067324     64.86180 29.96464 106.5688 23.87349 -0.000000      0.000000 
1 1 1 0  3  113 o 34.52139 19.73921 0.1246448      0.1483666     0.1311782      0.2155569     0.1187632      0.2045218     37.36170 22.62806 36.15984 21.96959 0.000000       0.000000 
1 1 1 0  3  114 o 32.61557 18.99111 0.1071038      0.1412219     0.1853896      0.1977157     0.2556450E-01  0.2017823     40.43988 22.91984 30.73122 19.94413 -0.000000      0.000000 
1 1 1 0  3  115 o 24.35120 16.09490 -0.1235920E-01 0.1406258     0.2630622      0.2384725     -0.1591944     0.1741223     46.11262 25.53637 21.61936 15.18396 0.000000       0.000000 
1 1 1 0  3  116 o 44.50612 26.81029 0.2467641      0.2993732     0.2467641      0.2993732     0.000000       0.000000      44.50612 26.81029 44.50612 26.81029 -0.000000      0.000000 
1 1 1 0  3  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  1   o 873.7581 27.31921 53.06768       3.288781      53.06768       3.288781      0.000000       0.000000      873.7581 27.31921 873.7581 27.31921 -0.000000      0.000000 
1 1 1 0  4  2   o 732.4098 25.67716 37.29794       2.589567      0.000000       0.000000      37.29794       2.589567      732.4098 25.67716 732.4098 25.67716 0.000000       0.000000 
1 1 1 0  4  3   o 1816.706 28.31982 228.9800       7.100275      230.9377       10.15584      227.1082       9.930561      1819.861 40.45988 1804.937 39.88897 0.000000       0.000000 
1 1 1 0  4  4   o 385.6508 16.26394 10.33696       0.8625776     10.18060       1.218715      10.49391       1.221026      381.3438 23.34491 387.3042 23.01765 -0.000000      0.000000 
1 1 1 0  4  5   o 429.3333 16.43148 12.79976       0.9708734     12.53119       1.364375      13.07525       1.381836      423.4901 23.49741 432.7134 23.28091 0.000000       0.000000 
1 1 1 0  4  6   o 572.5842 17.12563 22.73046       1.351274      22.77315       1.915508      22.68816       1.906505      571.9004 24.35684 570.8402 24.28718 -0.000000      0.000000 
1 1 1 0  4  7   o 646.0240 17.56580 28.92415       1.564329      28.65898       2.204699      29.19300       2.219970      641.7982 24.96362 647.7888 24.90207 -0.000000      0.000000 
1 1 1 0  4  8   o 120.7825 17.00276 1.066776       0.2674161     1.141014       0.3783769     0.9926895      0.3779905     121.0279 25.75990 110.0688 28.78281 0.000000       0.000000 
1 1 1 0  4  9   o 922.3337 19.55918 58.92965       2.488489      58.02759       3.497105      59.85492       3.541833      913.6816 27.77700 928.0132 27.69569 -0.000000      0.000000 
1 1 1 0  4  10  o 609.2427 17.38319 25.72936       1.459679      26.49077       2.075231      24.98378       2.053534      617.0285 24.44411 599.0414 24.92411 0.000000       0.000000 
1 1 1 0  4  11  o 381.0870 16.30146 10.09544       0.8542350     9.948511       1.209248      10.24180       1.206897      376.8972 23.44350 382.5662 23.03815 -0.000000      0.000000 
1 1 1 0  4  12  o 359.8224 16.24730 9.005737       0.8035018     8.761130       1.133051      9.253190       1.139624      353.4134 23.45527 363.4526 22.91669 -0.000000      0.000000 
1 1 1 0  4  13  f 122.2534 16.98148 1.091430       0.2708614     1.201821       0.3837655     0.9818518      0.3823502     124.9232 25.09135 108.9562 29.40488 0.000000       0.000000 
1 1 1 0  4  14  o 179.4050 16.15260 2.278688       0.3926834     2.239512       0.5554944     2.317820       0.5551823     174.9940 24.33388 178.4376 23.70075 -0.000000      0.000000 
1 1 1 0  4  15  o 79.52677 19.59438 0.5091921      0.1862974     0.4689508      0.2643247     0.5489138      0.2626123     69.85017 28.12459 77.97891 27.03211 -0.000000      0.000000 
1 1 1 0  4  16  o 496.8957 16.81863 17.13052       1.150972      16.86856       1.615240      17.40074       1.640493      491.8241 23.91314 499.5769 23.90599 0.000000       0.000000 
1 1 1 0  4  17  o 493.1174 16.82442 16.87201       1.142565      17.15702       1.629659      16.59646       1.602350      496.0375 23.91952 487.8100 23.91974 -0.000000      0.000000 
1 1 1 0  4  18  o 543.8958 17.09357 20.51599       1.280897      21.17430       1.833260      19.88808       1.790423      551.3640 24.18540 534.2161 24.38747 -0.000000      0.000000 
1 1 1 0  4  19  o 836.0972 18.97717 48.43081       2.188370      47.97060       3.075334      48.90286       3.114686      830.6639 26.87572 838.7039 26.95784 0.000000       0.000000 
1 1 1 0  4  20  o 412.8874 16.50720 11.84322       0.9376984     11.84758       1.325318      11.83884       1.326895      411.6547 23.49071 411.4930 23.52863 0.000000       0.000000 
1 1 1 0  4  21  o 254.7861 16.13759 4.541732       0.5625224     4.404848       0.7934443     4.680063       0.7976259     248.9432 23.56756 256.9987 22.89447 -0.000000      0.000000 
1 1 1 0  4  22  o 488.0862 16.82659 16.53103       1.130991      17.14320       1.611211      15.93639       1.587967      495.8804 23.65351 477.8702 24.20716 -0.000000      0.000000 
1 1 1 0  4  23  o 869.6000 19.22427 52.39111       2.305834      53.22055       3.287219      51.58767       3.235284      874.9409 27.26893 861.3764 27.26263 -0.000000      0.000000 
1 1 1 0  4  24  o 225.7891 16.14801 3.578489       0.4975378     3.835062       0.7053160     3.324363       0.7019455     232.1640 22.48576 215.0312 24.45808 0.000000       0.000000 
1 1 1 0  4  25  f 845.3502 19.04811 49.51456       2.220898      48.56566       3.104667      50.50900       3.178274      835.6905 26.96853 852.2746 27.06868 0.000000       0.000000 
1 1 1 0  4  26  o 159.2444 25.02333 1.881044       0.5096468     0.000000       0.000000      1.881044       0.5096468     159.2444 25.02333 159.2444 25.02333 0.000000       0.000000 
1 1 1 0  4  27  f 506.6602 24.10607 17.90360       1.677779      17.90360       1.677779      0.000000       0.000000      506.6602 24.10607 506.6602 24.10607 -0.000000      0.000000 
1 1 1 0  4  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  29  o 109.2628 28.05940 0.9736604      0.3659224     0.000000       0.000000      0.9736604      0.3659224     109.2628 28.05940 109.2628 28.05940 -0.000000      0.000000 
1 1 1 0  4  30  o 131.4769 17.00537 1.254077       0.2944973     0.9460088      0.4143378     1.568606       0.4186601     104.1978 32.78477 145.6377 22.39277 -0.000000      0.000000 
1 1 1 0  4  31  o 518.8316 16.97277 18.67921       1.213006      18.94764       1.722028      18.41484       1.708946      521.2458 24.04192 513.7813 24.21114 -0.000000      0.000000 
1 1 1 0  4  32  o 248.4437 13.25169 4.302735       0.4516535     3.390037       0.7676647     4.785926       0.5585566     216.2856 26.81258 261.6949 15.58384 -0.000000      0.000000 
1 1 1 0  4  33  o 137.9818 13.44053 1.353088       0.2505020     1.091389       0.4326134     1.485094       0.3072526     114.3364 31.68022 143.9535 15.95872 -0.000000      0.000000 
1 1 1 0  4  34  o 195.1107 13.22056 2.667531       0.3524255     2.681690       0.6122185     2.660514       0.4309992     192.3429 24.07174 194.0858 16.34908 -0.000000      0.000000 
1 1 1 0  4  35  o 589.1917 14.36714 24.04707       1.167296      25.59692       1.455009      21.24804       1.955355      607.4639 17.37849 551.6028 25.80069 0.000000       0.000000 
1 1 1 0  4  36  o 180.9304 13.35794 2.299937       0.3295439     2.648465       0.4039741     1.606664       0.5697532     193.8954 15.30805 141.6665 33.54684 0.000000       0.000000 
1 1 1 0  4  37  o 312.3257 13.36109 6.781443       0.5738206     7.823945       1.017692      6.295527       0.6947984     333.7543 22.31149 300.2094 16.88298 -0.000000      0.000000 
1 1 1 0  4  38  f 538.0342 14.02434 20.06060       1.040310      19.70617       1.263804      20.80548       1.832135      532.7429 17.22080 545.9355 24.41518 0.000000       0.000000 
1 1 1 0  4  39  o 379.4276 13.47038 9.993393       0.7037258     9.482540       1.220771      10.24764       0.8612214     367.2445 24.31827 383.7660 16.31924 -0.000000      0.000000 
1 1 1 0  4  40  o 160.2599 11.48288 1.802565       0.2511079     1.840425       0.3523998     1.763513       0.3579045     160.6512 16.26843 156.9077 17.02731 0.000000       0.000000 
1 1 1 0  4  41  o 161.7974 11.54541 1.837265       0.2549226     1.753828       0.3624551     1.918938       0.3586058     156.3428 17.33423 164.1568 16.18133 -0.000000      0.000000 
1 1 1 0  4  42  o 410.7267 11.74260 11.69296       0.6647394     11.83683       0.9466422     11.55301       0.9336591     412.4323 16.68450 407.4384 16.65872 -0.000000      0.000000 
1 1 1 0  4  43  o 345.1962 11.66012 8.268117       0.5543481     8.706082       0.7927898     7.849120       0.7754316     353.4353 16.32396 335.3652 16.84200 -0.000000      0.000000 
1 1 1 0  4  44  o 187.1026 11.45129 2.447989       0.2933115     2.452489       0.4136118     2.443438       0.4160089     186.0313 16.39447 185.6395 16.53057 0.000000       0.000000 
1 1 1 0  4  45  o 109.0319 11.98096 0.8516497      0.1748272     0.8586125      0.2457781     0.8445184      0.2487346     106.9636 18.23080 105.7359 18.81109 0.000000       0.000000 
1 1 1 0  4  46  o 490.9430 11.96632 16.70760       0.8101144     17.09715       1.151383      16.32568       1.140051      495.6742 16.86657 484.2694 17.09734 0.000000       0.000000 
1 1 1 0  4  47  o 370.6523 11.63137 9.535170       0.5939719     9.190784       0.8351294     9.887713       0.8449633     362.8333 16.75027 376.5232 16.32183 -0.000000      0.000000 
1 1 1 0  4  48  o 248.2546 11.44762 4.292659       0.3905189     4.097203       0.5499948     4.491392       0.5545882     241.2667 16.69258 252.9396 16.02623 -0.000000      0.000000 
1 1 1 0  4  49  o 410.1314 11.77030 11.67559       0.6653324     12.01558       0.9456571     11.34233       0.9362575     415.0043 16.56217 403.0681 16.88948 0.000000       0.000000 
1 1 1 0  4  50  o 105.0366 12.19709 0.7944517      0.1706817     0.6444576      0.2406243     0.9463459      0.2421437     88.73753 22.71746 113.3405 16.49020 -0.000000      0.000000 
1 1 1 0  4  51  o 228.4159 11.45595 3.640793       0.3592492     3.754081       0.5080119     3.527467       0.5080984     230.7911 16.12173 223.4455 16.68165 -0.000000      0.000000 
1 1 1 0  4  52  o 226.2850 16.47487 3.616787       0.5085021     3.616787       0.5085021     0.000000       0.000000      226.2850 16.47487 226.2850 16.47487 -0.000000      0.000000 
1 1 1 0  4  53  o 72.60081 28.36106 0.5068852      0.2716706     0.000000       0.000000      0.5068852      0.2716706     72.60081 28.36106 72.60081 28.36106 0.000000       0.000000 
1 1 1 0  4  54  o 192.9254 16.59978 2.649143       0.4346794     0.000000       0.000000      2.649143       0.4346794     192.9254 16.59978 192.9254 16.59978 -0.000000      0.000000 
1 1 1 0  4  55  o 69.84806 17.61533 0.3974908      0.1469298     0.1240749      0.2672590     0.5159241      0.1758966     41.85630 25.27275 80.72052 18.07307 -0.000000      0.000000 
1 1 1 0  4  56  o 52.01958 16.61871 0.2376592      0.1052032     0.2593089      0.1484185     0.2157973      0.1491438     51.50996 21.13202 45.95600 21.27752 0.000000       0.000000 
1 1 1 0  4  57  o 172.8031 11.62630 2.100691       0.2745335     2.032016       0.3881371     2.169446       0.3883610     168.0374 17.13633 174.0370 16.50137 -0.000000      0.000000 
1 1 1 0  4  58  o 206.7667 11.53780 2.995929       0.3270684     2.925383       0.4613007     3.067240       0.4637987     202.6147 16.75172 207.6911 16.40792 0.000000       0.000000 
1 1 1 0  4  59  o 92.94942 12.83176 0.6336780      0.1557462     0.6127415      0.2208955     0.6543747      0.2196269     86.77454 21.28715 90.88258 20.00102 -0.000000      0.000000 
1 1 1 0  4  60  f 127.7148 11.91168 1.162452       0.2058644     1.239790       0.2922848     1.086318       0.2900012     129.9569 17.11219 120.4434 18.80332 -0.000000      0.000000 
1 1 1 0  4  61  o 207.1512 11.57520 3.008754       0.3287322     2.992829       0.4651173     3.024650       0.4646780     204.8999 16.69423 206.0513 16.57888 -0.000000      0.000000 
1 1 1 0  4  62  o 112.0634 12.59858 0.9054047      0.1886151     0.8470343      0.2652241     0.9651307      0.2682863     104.3803 20.71304 113.1319 18.71379 -0.000000      0.000000 
1 1 1 0  4  63  o 96.07105 13.15285 0.6766111      0.1652020     0.6743698      0.2324465     0.6788985      0.2348336     91.77778 21.06305 92.01648 21.23623 -0.000000      0.000000 
1 1 1 0  4  64  o 280.3789 11.61888 5.487478       0.4480731     5.185956       0.6300972     5.795939       0.6373064     270.7973 17.00468 286.7454 16.21443 0.000000       0.000000 
1 1 1 0  4  65  o 42.51493 17.81995 0.1778088      0.1050129     0.1975116      0.1442864     0.1556170      0.1531290     43.79319 20.86704 39.19276 20.87135 -0.000000      0.000000 
1 1 1 0  4  66  o 295.4922 11.62062 6.090049       0.4724818     6.173036       0.6700975     6.008001       0.6662990     295.9938 16.51274 291.9233 16.65359 -0.000000      0.000000 
1 1 1 0  4  67  o 53.40930 18.26023 0.2576170      0.1209160     0.3416282      0.1680811     0.1675033      0.1740786     60.73959 21.88018 40.89029 22.09929 -0.000000      0.000000 
1 1 1 0  4  68  o 65.36861 16.24256 0.3466452      0.1268745     0.3579428      0.1826888     0.3361197      0.1763352     61.66719 23.02658 59.45256 22.75466 0.000000       0.000000 
1 1 1 0  4  69  f 114.7686 12.56351 0.9469902      0.1930311     1.073291       0.2719015     0.8186514      0.2740860     120.4613 17.40247 101.6176 22.31788 -0.000000      0.000000 
1 1 1 0  4  70  o 206.2709 11.70553 2.981480       0.3309450     2.869345       0.4669516     3.094653       0.4691098     200.5820 17.14771 208.6976 16.51663 -0.000000      0.000000 
1 1 1 0  4  71  o 157.2724 11.96611 1.746633       0.2564034     1.748762       0.3633056     1.744521       0.3619167     155.3983 17.50256 155.2239 17.45270 0.000000       0.000000 
1 1 1 0  4  72  o 114.7151 12.58335 0.9463676      0.1932148     1.101812       0.2728292     0.7899675      0.2736667     122.2523 17.12485 99.19064 22.96532 -0.000000      0.000000 
1 1 1 0  4  73  o 120.0943 12.42054 1.033395       0.2009227     0.8750585      0.2846036     1.190720       0.2836936     105.5009 22.19017 127.3885 16.97095 0.000000       0.000000 
1 1 1 0  4  74  o 212.6605 16.78895 3.217243       0.4859335     0.000000       0.000000      3.217243       0.4859335     212.6605 16.78895 212.6605 16.78895 0.000000       0.000000 
1 1 1 0  4  75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  76  o 232.0375 16.78467 3.824128       0.5313191     3.824128       0.5313191     0.000000       0.000000      232.0375 16.78467 232.0375 16.78467 0.000000       0.000000 
1 1 1 0  4  77  o 68.66197 17.67058 0.3873454      0.1448050     0.4365171      0.2032449     0.3366544      0.2063611     69.20064 23.68202 57.72505 25.04819 -0.000000      0.000000 
1 1 1 0  4  78  o 69.43773 17.47521 0.3938669      0.1449150     0.5611173      0.2086135     0.2378969      0.2014555     82.43513 21.20352 47.71018 24.31404 0.000000       0.000000 
1 1 1 0  4  79  o 168.5159 12.06368 2.006279       0.2774053     1.981381       0.3910439     2.031501       0.3935892     165.3043 17.63760 167.5235 17.44827 0.000000       0.000000 
1 1 1 0  4  80  o 40.18282 17.56990 0.1620389      0.1015068     0.1506452      0.1419580     0.1739592      0.1452016     38.31615 20.18184 40.90192 20.68726 -0.000000      0.000000 
1 1 1 0  4  81  o 55.67610 17.90303 0.2744280      0.1214760     0.2200044      0.1704498     0.3306016      0.1731684     45.85947 22.56071 58.69965 22.57071 0.000000       0.000000 
1 1 1 0  4  82  o 122.4784 12.66216 1.078532       0.2089013     1.306634       0.2998772     0.8634728      0.2911772     133.3130 17.05399 103.5807 23.33134 -0.000000      0.000000 
1 1 1 0  4  83  o 68.44666 16.95191 0.3816967      0.1386761     0.3601216      0.2000374     0.4016598      0.1924196     60.40998 24.49106 65.77529 23.28939 -0.000000      0.000000 
1 1 1 0  4  84  o 163.0475 12.16310 1.883262       0.2703363     1.986571       0.3872382     1.785046       0.3775716     165.4095 17.39448 156.1768 18.14754 -0.000000      0.000000 
1 1 1 0  4  85  o 166.5052 12.21712 1.963469       0.2774132     1.924451       0.3876389     2.004431       0.3971781     162.5026 17.82116 165.9356 17.85738 0.000000       0.000000 
1 1 1 0  4  86  o 120.5430 13.35325 1.051076       0.2152923     1.085976       0.2986978     1.013342       0.3105889     119.5648 19.69982 113.8015 22.18013 0.000000       0.000000 
1 1 1 0  4  87  o 65.06067 18.74573 0.3616686      0.1460660     0.4937441      0.2018898     0.2165987      0.2115884     75.49303 22.27838 45.68102 24.46713 0.000000       0.000000 
1 1 1 0  4  88  o 210.7494 12.09618 3.127949       0.3493550     2.869966       0.4876812     3.399891       0.5007012     199.2891 18.06331 217.8650 16.87674 0.000000       0.000000 
1 1 1 0  4  89  o 37.71663 19.05271 0.1480328      0.1230743     0.6397367E-01  0.1784112     0.2243530      0.1700001     32.80699 20.20620 46.21449 22.56579 -0.000000      0.000000 
1 1 1 0  4  90  o 45.02102 20.33764 0.2076643      0.1359062     0.1834567      0.1874171     0.2345112      0.1973696     42.30869 22.90986 47.11040 24.05329 0.000000       0.000000 
1 1 1 0  4  91  o 44.09294 19.70406 0.1982206      0.1275663     0.1377392      0.1769544     0.2636624      0.1840679     38.07668 21.64217 50.18781 23.60776 0.000000       0.000000 
1 1 1 0  4  92  o 112.3033 14.12987 0.9233962      0.2096963     0.9227592      0.3012260     0.9239949      0.2920954     107.3204 23.17257 108.0509 22.15112 -0.000000      0.000000 
1 1 1 0  4  93  o 167.1192 12.69771 1.985390       0.2891253     2.272182       0.4156350     1.716500       0.4024534     176.9018 17.40186 151.6254 20.23109 -0.000000      0.000000 
1 1 1 0  4  94  o 91.27784 17.24236 0.6446021      0.1947002     0.4829917      0.2713767     0.8160303      0.2794982     68.89228 28.62551 99.97179 23.28493 0.000000       0.000000 
1 1 1 0  4  95  o 133.3087 20.66684 1.352484       0.3531998     0.000000       0.000000      1.352484       0.3531998     133.3087 20.66684 133.3087 20.66684 0.000000       0.000000 
1 1 1 0  4  96  o 104.3744 36.26753 1.060450       0.4720224     1.060450       0.4720224     0.000000       0.000000      104.3744 36.26753 104.3744 36.26753 0.000000       0.000000 
1 1 1 0  4  97  f 26.73672 17.28648 0.2960259E-02  0.1496733     0.7709887E-02  0.1648139     -0.1938584E-01 0.3574908     28.24168 18.21507 39.36389 25.89891 0.000000       0.000000 
1 1 1 0  4  98  o 35.55941 19.40298 0.1301949      0.1353835     -0.4248359E-01 0.1882644     0.3151206      0.1948264     27.61983 18.37571 54.72744 24.34884 -0.000000      0.000000 
1 1 1 0  4  99  o 36.50039 19.87481 0.1389164      0.1417750     0.1284140      0.1968630     0.1502324      0.2043465     37.58658 22.17378 39.43464 22.89536 -0.000000      0.000000 
1 1 1 0  4  100 o 36.85799 19.80630 0.1441522      0.1390824     -0.5066932E-01 0.1911306     0.3634231      0.2027693     27.32660 18.28490 59.10379 24.76103 -0.000000      0.000000 
1 1 1 0  4  101 o 28.08509 17.43716 0.4678056E-01  0.1355095     0.1134993      0.1864706     -0.2788492E-01 0.1972634     35.74900 21.34724 28.64597 18.97621 -0.000000      0.000000 
1 1 1 0  4  102 o 111.2365 15.86618 0.9414712      0.2293494     0.8003364      0.3234333     1.084216       0.3252726     91.36901 29.10675 114.6104 23.21065 -0.000000      0.000000 
1 1 1 0  4  103 o 44.74035 22.11978 0.2233312      0.1641863     0.1687466      0.2351312     0.2752714      0.2293651     40.90081 24.18426 48.67341 25.64898 0.000000       0.000000 
1 1 1 0  4  104 o 42.03737 21.05128 0.1968742      0.1494856     0.2816757      0.2159823     0.1188996      0.2071062     49.24641 25.15788 36.60281 22.17428 0.000000       0.000000 
1 1 1 0  4  105 o 30.66784 18.41139 0.8080018E-01  0.1402210     0.1995102      0.1929033     -0.5219717E-01 0.2041820     42.03918 23.08025 27.84490 18.71334 -0.000000      0.000000 
1 1 1 0  4  106 o 23.71046 15.50355 -0.4144112E-02 0.1252215     -0.8921627E-01 0.1667285     0.1059376      0.1896591     23.49539 16.09833 34.86514 21.17051 -0.000000      0.000000 
1 1 1 0  4  107 o 45.51525 21.91832 0.2319792      0.1596176     0.5543110      0.2376042     -0.3312160E-01 0.2154806     75.28428 25.52237 29.30533 19.54761 0.000000       0.000000 
1 1 1 0  4  108 o 10.93546 7.890825 -0.1097863     0.6065892E-01 -0.4837863     0.1299554     -0.5604025E-02 0.6858918E-01 17.53859 11.47011 17.53859 11.47011 0.000000       0.000000 
1 1 1 0  4  109 o 35.85093 20.12290 0.1374895      0.1504404     0.3845444E-01  0.2043975     0.2545580      0.2222292     31.78231 20.41673 46.56307 25.03148 -0.000000      0.000000 
1 1 1 0  4  110 o 39.07251 21.09014 0.1706288      0.1583563     0.6671013E-01  0.2161295     0.2910774      0.2326849     33.86074 21.44577 49.45122 25.89502 -0.000000      0.000000 
1 1 1 0  4  111 o 18.95798 13.21408 -0.1057021     0.1249193     -0.1278823     0.1904369     -0.8895011E-01 0.1655012     24.07789 16.67260 23.35168 16.01030 0.000000       0.000000 
1 1 1 0  4  112 o 19.63716 13.55981 -0.8365948E-01 0.1237591     -0.1143396     0.1685100     -0.4773206E-01 0.1823519     22.65998 15.68902 26.22039 17.64025 -0.000000      0.000000 
1 1 1 0  4  113 o 41.89473 21.53778 0.2036118      0.1588685     0.1169216      0.2203565     0.2974453      0.2292556     36.28126 22.39777 49.18117 25.71719 -0.000000      0.000000 
1 1 1 0  4  114 o 30.90944 20.64887 -0.1530913E-01 0.2420404     0.000000       0.000000      -0.1530913E-01 0.2420404     30.90944 20.64887 30.90944 20.64887 0.000000       0.000000 
1 1 1 0  4  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  0   o 956.3461 28.51016 63.45069       3.757322      63.45069       3.757322      0.000000       0.000000      956.3461 28.51016 956.3461 28.51016 -0.000000      0.000000 
1 1 1 0  5  1   o 567.2932 24.48218 22.41396       1.909641      22.41396       1.909641      0.000000       0.000000      567.2932 24.48218 567.2932 24.48218 -0.000000      0.000000 
1 1 1 0  5  2   o 783.5677 26.23965 42.68883       2.831832      42.68883       2.831832      0.000000       0.000000      783.5677 26.23965 783.5677 26.23965 -0.000000      0.000000 
1 1 1 0  5  3   o 575.2600 24.36204 23.04279       1.927262      0.000000       0.000000      23.04279       1.927262      575.2600 24.36204 575.2600 24.36204 0.000000       0.000000 
1 1 1 0  5  4   o 419.9464 16.51448 12.25004       0.9542645     12.79846       1.368692      11.73128       1.331158      428.0370 23.31531 409.5496 23.72094 0.000000       0.000000 
1 1 1 0  5  5   o 803.1356 18.67010 44.68982       2.067965      43.91984       2.899221      45.48730       2.950541      794.7571 26.48520 808.8615 26.48168 0.000000       0.000000 
1 1 1 0  5  6   o 193.5701 16.06540 2.643537       0.4226006     2.651673       0.5957207     2.635296       0.5995932     191.5280 23.46880 190.8069 23.75012 0.000000       0.000000 
1 1 1 0  5  7   o 496.1741 16.72968 17.08104       1.143245      16.64974       1.600405      17.53047       1.633694      488.5863 23.85157 501.4593 23.71461 0.000000       0.000000 
1 1 1 0  5  8   o 326.7607 16.11838 7.435836       0.7232233     7.460742       1.024286      7.411076       1.021305      325.8458 23.02943 324.7401 23.04275 -0.000000      0.000000 
1 1 1 0  5  9   o 332.4374 16.15948 7.694975       0.7377841     7.850214       1.045639      7.541068       1.041144      334.3948 22.89193 327.5526 23.28979 0.000000       0.000000 
1 1 1 0  5  10  f 755.9772 18.32800 39.60073       1.910666      38.87997       2.678269      40.34773       2.726558      747.6671 26.01367 761.7033 25.99194 0.000000       0.000000 
1 1 1 0  5  11  o 185.5362 16.13814 2.433541       0.4062514     2.569897       0.5779179     2.300340       0.5711936     188.5413 23.13101 177.3147 24.70008 -0.000000      0.000000 
1 1 1 0  5  12  o 177.3588 16.17176 2.228580       0.3884775     2.319374       0.5530854     2.140173       0.5457680     178.5287 23.58139 170.7090 24.64680 -0.000000      0.000000 
1 1 1 0  5  13  o 84.35693 28.52538 0.6364181      0.2973330     0.6364181      0.2973330     0.000000       0.000000      84.35693 28.52538 84.35693 28.52538 -0.000000      0.000000 
1 1 1 0  5  14  f 149.4958 25.34614 1.674677       0.4780553     1.674677       0.4780553     0.000000       0.000000      149.4958 25.34614 149.4958 25.34614 -0.000000      0.000000 
1 1 1 0  5  15  o 504.0459 24.00394 17.71866       1.662034      0.000000       0.000000      17.71866       1.662034      504.0459 24.00394 504.0459 24.00394 0.000000       0.000000 
1 1 1 0  5  16  o 1053.680 29.41805 77.22537       4.272622      77.22537       4.272622      0.000000       0.000000      1053.680 29.41805 1053.680 29.41805 -0.000000      0.000000 
1 1 1 0  5  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  18  o 1439.089 34.60710 144.2755       6.867889      0.000000       0.000000      144.2755       6.867889      1439.089 34.60710 1439.089 34.60710 -0.000000      0.000000 
1 1 1 0  5  19  o 631.3660 24.90144 27.75485       2.163249      0.000000       0.000000      27.75485       2.163249      631.3660 24.90144 631.3660 24.90144 -0.000000      0.000000 
1 1 1 0  5  20  o 812.8663 26.59282 45.96800       2.977605      45.96800       2.977605      0.000000       0.000000      812.8663 26.59282 812.8663 26.59282 0.000000       0.000000 
1 1 1 0  5  21  o 337.1447 16.28790 7.915716       0.7542275     8.286876       1.079583      7.561840       1.054149      343.5944 22.99100 327.8649 23.56431 -0.000000      0.000000 
1 1 1 0  5  22  o 64.71104 20.74800 0.3665222      0.1635188     0.3396000      0.2329253     0.3926838      0.2296114     58.03019 26.60421 63.53699 26.32079 -0.000000      0.000000 
1 1 1 0  5  23  o 47.14727 19.75035 0.2169004      0.1290091     0.1995794      0.1838655     0.2336968      0.1810597     44.48209 23.09371 47.89648 23.30522 -0.000000      0.000000 
1 1 1 0  5  24  o 263.5247 16.19417 4.857133       0.5841766     4.549551       0.8248124     5.166720       0.8274951     252.8284 24.13103 270.3303 22.52828 -0.000000      0.000000 
1 1 1 0  5  25  o 701.8455 18.07664 34.15413       1.749225      34.47827       2.485365      33.83597       2.462349      703.6636 25.65660 697.0514 25.66165 -0.000000      0.000000 
1 1 1 0  5  26  o 311.8852 16.29131 6.783349       0.6972276     6.199992       0.9785541     7.384877       0.9936773     296.1040 24.31029 324.1678 22.44635 -0.000000      0.000000 
1 1 1 0  5  27  o 793.7372 18.71882 43.68317       2.049025      43.49586       2.891050      43.87224       2.904516      790.3256 26.55979 793.7469 26.56793 -0.000000      0.000000 
1 1 1 0  5  28  o 380.4299 16.47763 10.06896       0.8618858     10.81437       1.231173      9.352574       1.206968      393.0157 22.86378 364.8644 24.20098 0.000000       0.000000 
1 1 1 0  5  29  o 515.7613 17.02968 18.46794       1.209816      19.03720       1.725047      17.91693       1.697169      522.2654 24.03654 506.4812 24.39647 -0.000000      0.000000 
1 1 1 0  5  30  o 158.9413 16.54318 1.803960       0.3540672     1.798024       0.4984539     1.810006       0.5030308     155.2422 25.25991 155.7138 25.43288 0.000000       0.000000 
1 1 1 0  5  31  o 148.8086 16.78021 1.589832       0.3335088     1.578123       0.4677655     1.601939       0.4756382     144.3727 25.95992 145.4207 26.21962 0.000000       0.000000 
1 1 1 0  5  32  o 458.3971 16.76672 14.60235       1.058053      14.70556       1.493446      14.49835       1.499197      458.5323 23.73262 455.1963 24.00429 0.000000       0.000000 
1 1 1 0  5  33  o 108.1510 18.23333 0.8753726      0.2490473     0.8623186      0.3509508     0.8886152      0.3534749     101.0185 29.01562 103.0578 28.71188 0.000000       0.000000 
1 1 1 0  5  34  o 68.52280 20.96935 0.4044636      0.1733918     0.3727164      0.2430201     0.4373832      0.2474665     60.98327 27.19525 67.31821 27.23141 0.000000       0.000000 
1 1 1 0  5  35  o 123.4922 17.38201 1.116729       0.2795198     1.074918       0.3928813     1.159587       0.3977654     115.2377 28.52478 121.1052 27.25761 0.000000       0.000000 
1 1 1 0  5  36  o 105.5637 18.38559 0.8383279      0.2436484     0.8452462      0.3427287     0.8312588      0.3464432     100.0432 28.62150 98.61704 29.24580 0.000000       0.000000 
1 1 1 0  5  37  f 223.9636 16.27210 3.528234       0.4971167     3.520748       0.7002391     3.535840       0.7058529     221.4608 23.57029 221.8940 23.72080 0.000000       0.000000 
1 1 1 0  5  38  o 146.8105 13.46909 1.528632       0.2677607     1.686347       0.4658811     1.450837       0.3272015     150.2341 24.38479 141.5840 17.44745 -0.000000      0.000000 
1 1 1 0  5  39  o 118.3038 13.92237 1.008190       0.2191730     0.9410262      0.2674067     1.145658       0.3825668     112.0525 18.89678 120.8089 26.15325 0.000000       0.000000 
1 1 1 0  5  40  o 152.8230 13.46372 1.654006       0.2790411     1.760196       0.3418780     1.442087       0.4829637     156.9245 16.17104 135.2432 29.52567 0.000000       0.000000 
1 1 1 0  5  41  o 313.3890 13.35571 6.837667       0.5755607     6.836747       0.9996045     6.838124       0.7039647     310.6180 23.61983 312.7365 16.40483 -0.000000      0.000000 
1 1 1 0  5  42  o 121.0733 13.87389 1.054608       0.2240586     1.118848       0.2727984     0.9214349      0.3927770     123.7083 16.85517 102.9339 31.60499 0.000000       0.000000 
1 1 1 0  5  43  o 180.0505 13.41138 2.283101       0.3291782     2.521138       0.5807682     2.170434       0.3995575     185.7777 23.69132 174.3974 16.96038 -0.000000      0.000000 
1 1 1 0  5  44  o 312.6931 13.46915 6.814158       0.5791079     6.163703       0.6985794     8.243208       1.035454      296.3828 17.20227 341.6485 22.16284 0.000000       0.000000 
1 1 1 0  5  45  o 89.54376 15.43630 0.6030961      0.1738433     0.5070499      0.3119999     0.6463404      0.2093527     71.11805 30.79812 91.22040 18.82488 -0.000000      0.000000 
1 1 1 0  5  46  o 174.3450 13.47202 2.145159       0.3198711     2.342466       0.3895059     1.736474       0.5605797     181.6234 15.80658 148.5475 31.00740 0.000000       0.000000 
1 1 1 0  5  47  o 17.57855 11.98360 -0.5336846E-01 0.8983570E-01 0.000000       0.000000      -0.5336846E-01 0.8983570E-01 17.57855 11.98360 17.57855 11.98360 0.000000       0.000000 
1 1 1 0  5  48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  49  o 55.47548 26.76215 0.3189344      0.2380683     0.000000       0.000000      0.3189344      0.2380683     55.47548 26.76215 55.47548 26.76215 -0.000000      0.000000 
1 1 1 0  5  50  o 63.68161 18.71286 0.3461379      0.1429728     0.5592057      0.2666933     0.2602063      0.1693673     77.98209 27.33399 50.70612 22.70479 -0.000000      0.000000 
1 1 1 0  5  51  o 359.8921 11.78427 9.017137       0.5841936     7.978053       0.8198924     10.08868       0.8326031     336.5990 17.75309 379.4854 15.95342 -0.000000      0.000000 
1 1 1 0  5  52  o 419.6274 11.84834 12.25395       0.6852918     11.81292       0.9585382     12.71505       0.9801202     410.2672 16.98636 425.8221 16.72777 0.000000       0.000000 
1 1 1 0  5  53  o 110.3301 12.11217 0.8752744      0.1788595     0.9541994      0.2503353     0.7929697      0.2556392     113.2580 17.17747 100.6534 20.84368 0.000000       0.000000 
1 1 1 0  5  54  o 124.6440 11.90084 1.108086       0.2005376     1.215079       0.2870859     1.006131       0.2802439     128.7038 16.97535 115.4926 19.15808 -0.000000      0.000000 
1 1 1 0  5  55  o 149.9643 11.72019 1.590399       0.2392854     1.687458       0.3365795     1.491211       0.3402516     152.8779 16.42329 142.7027 18.05398 0.000000       0.000000 
1 1 1 0  5  56  o 36.49390 16.06303 0.1333509      0.8482223E-01 0.1684254      0.1225694     0.1011153      0.1175043     40.47477 19.23866 32.36146 17.92384 -0.000000      0.000000 
1 1 1 0  5  57  o 172.2567 11.71841 2.089834       0.2757682     2.243234       0.3887652     1.934476       0.3912368     177.0241 16.21731 163.3888 17.88649 0.000000       0.000000 
1 1 1 0  5  58  o 112.8296 12.28530 0.9155047      0.1856474     0.9533063      0.2606787     0.8766009      0.2644520     112.6634 18.17520 106.7650 19.99079 0.000000       0.000000 
1 1 1 0  5  59  o 39.91230 16.19897 0.1544250      0.8748446E-01 0.1145670      0.1219696     0.1966584      0.1255515     33.99568 18.45853 44.19625 19.54426 0.000000       0.000000 
1 1 1 0  5  60  o 79.37263 13.75377 0.4752418      0.1371710     0.5092335      0.1936718     0.4410264      0.1943080     78.35552 20.71881 70.56670 22.61185 0.000000       0.000000 
1 1 1 0  5  61  o 105.2687 12.49032 0.8016434      0.1748221     0.7834308      0.2471328     0.8198864      0.2473390     100.3928 20.09508 103.3616 19.30380 0.000000       0.000000 
1 1 1 0  5  62  o 174.9609 11.72956 2.153715       0.2804513     2.194854       0.3967988     2.112650       0.3964375     174.9533 16.77971 171.4143 17.14227 0.000000       0.000000 
1 1 1 0  5  63  o 109.4390 12.44897 0.8633941      0.1818369     0.7434328      0.2547437     0.9880100      0.2596387     96.47879 21.93727 115.2274 17.51873 0.000000       0.000000 
1 1 1 0  5  64  o 144.2797 12.04977 1.475111       0.2362089     1.594120       0.3334024     1.355173       0.3347012     148.3904 16.83003 135.4462 18.95997 0.000000       0.000000 
1 1 1 0  5  65  o 300.1704 11.68534 6.282382       0.4826693     6.253692       0.6823395     6.311116       0.6828558     297.9572 16.70481 299.3584 16.63709 -0.000000      0.000000 
1 1 1 0  5  66  o 51.48631 16.99821 0.2358320      0.1073668     0.1816815      0.1512543     0.2908289      0.1524318     41.95651 21.13802 55.38636 21.14542 0.000000       0.000000 
1 1 1 0  5  67  o 167.3148 11.87993 1.972359       0.2712858     1.982069       0.3827871     1.962560       0.3845309     165.9375 17.12379 165.0183 17.31173 0.000000       0.000000 
1 1 1 0  5  68  o 212.4017 11.72341 3.159992       0.3414404     3.199452       0.4824253     3.120386       0.4833152     212.1841 16.70377 209.4004 16.97182 0.000000       0.000000 
1 1 1 0  5  69  o 144.4235 12.05997 1.478227       0.2366455     1.430831       0.3355464     1.525130       0.3337951     139.6626 18.26416 144.7908 17.35526 -0.000000      0.000000 
1 1 1 0  5  70  o 170.5152 13.71596 2.061515       0.3181371     2.050015       0.3932203     2.083306       0.5412962     168.7133 17.29555 166.3557 25.29926 -0.000000      0.000000 
1 1 1 0  5  71  o 123.1233 28.16713 1.224624       0.4171483     1.224624       0.4171483     0.000000       0.000000      123.1233 28.16713 123.1233 28.16713 -0.000000      0.000000 
1 1 1 0  5  72  o 70.10830 31.21898 0.5067009      0.3202694     0.5067009      0.3202694     0.000000       0.000000      70.10830 31.21898 70.10830 31.21898 0.000000       0.000000 
1 1 1 0  5  73  f 44.23098 21.60048 0.2028868      0.1557765     0.000000       0.000000      0.2028868      0.1557765     44.23098 21.60048 44.23098 21.60048 -0.000000      0.000000 
1 1 1 0  5  74  o 21.68127 13.12087 0.3113866E-01  0.7236241E-01 -0.1895262E-01 0.1061488     0.7462774E-01  0.9890638E-01 21.43578 14.10663 28.52617 16.19353 0.000000       0.000000 
1 1 1 0  5  75  o 44.00679 17.63575 0.1873471      0.1040764     0.1683962      0.1475625     0.2061059      0.1468129     40.34905 20.75414 44.68497 21.07638 -0.000000      0.000000 
1 1 1 0  5  76  o 32.41900 15.37040 0.1076268      0.7818450E-01 0.6456479E-01  0.1139537     0.1459281      0.1074701     28.48296 16.83874 37.63672 18.00057 0.000000       0.000000 
1 1 1 0  5  77  o 188.8748 11.97661 2.513226       0.3094736     2.374472       0.4336627     2.657218       0.4417736     181.3071 17.70995 192.4164 16.92863 0.000000       0.000000 
1 1 1 0  5  78  o 54.18529 19.52327 0.2725902      0.1338033     0.1474666      0.1859383     0.4069733      0.1926955     39.34027 22.25460 66.42807 23.21261 0.000000       0.000000 
1 1 1 0  5  79  o 128.5960 12.67737 1.185786       0.2200891     1.440278       0.3172197     0.9495803      0.3056108     140.2497 17.05231 109.4434 22.96130 -0.000000      0.000000 
1 1 1 0  5  80  o 95.71746 14.54078 0.6823270      0.1790400     0.5957180      0.2476398     0.7771773      0.2591542     82.42734 24.93938 98.60593 21.75955 0.000000       0.000000 
1 1 1 0  5  81  o 41.94199 17.85873 0.1750481      0.1051943     0.1547547      0.1506511     0.1943571      0.1469522     38.86257 20.69977 43.17377 20.99770 -0.000000      0.000000 
1 1 1 0  5  82  o 124.1379 12.88464 1.109130       0.2154102     0.8287588      0.2990484     1.411481       0.3105491     99.98468 25.04017 138.8122 16.86530 0.000000       0.000000 
1 1 1 0  5  83  o 32.43353 17.20353 0.1070213      0.1036893     0.1269315      0.1451209     0.8625583E-01  0.1482055     35.94205 19.91472 32.51117 19.21125 -0.000000      0.000000 
1 1 1 0  5  84  o 206.1095 12.24580 2.993878       0.3456997     3.027902       0.4863061     2.959119       0.4915219     205.1578 17.45739 202.5574 17.89468 0.000000       0.000000 
1 1 1 0  5  85  o 46.27953 19.14153 0.2113064      0.1214910     0.1620764      0.1700415     0.2626441      0.1736435     39.98590 21.76818 50.41667 22.97768 -0.000000      0.000000 
1 1 1 0  5  86  o 56.81153 20.04372 0.2980300      0.1428349     0.1703937      0.2012462     0.4275943      0.2027604     41.60016 23.30460 67.84751 23.85638 0.000000       0.000000 
1 1 1 0  5  87  o 65.15510 20.25389 0.3733828      0.1596508     0.2025261      0.2255963     0.5447980      0.2259647     44.80659 24.82864 78.83398 23.80130 0.000000       0.000000 
1 1 1 0  5  88  o 183.3484 12.41092 2.378381       0.3109046     2.522984       0.4399824     2.234168       0.4393893     186.8082 17.40416 174.8598 18.74148 -0.000000      0.000000 
1 1 1 0  5  89  o 112.7955 14.46052 0.9333817      0.2150807     0.8246939      0.3011128     1.046599       0.3073224     99.22752 25.42340 116.2205 21.25077 -0.000000      0.000000 
1 1 1 0  5  90  o 30.07526 16.88722 0.8631721E-01  0.1060020     0.9107003E-01  0.1383337     0.7955696E-01  0.1649810     32.27599 18.79481 32.95895 19.87850 -0.000000      0.000000 
1 1 1 0  5  91  o 151.9560 13.12477 1.651284       0.2706633     1.581714       0.3807220     1.722376       0.3848630     145.2976 20.06744 152.4449 19.09468 -0.000000      0.000000 
1 1 1 0  5  92  o 160.1426 19.21942 1.898274       0.4087950     0.000000       0.000000      1.898274       0.4087950     160.1426 19.21942 160.1426 19.21942 0.000000       0.000000 
1 1 1 0  5  93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  94  o 89.27106 27.33144 0.7172986      0.2944508     0.000000       0.000000      0.7172986      0.2944508     89.27106 27.33144 89.27106 27.33144 -0.000000      0.000000 
1 1 1 0  5  95  o 115.9135 14.68395 0.9926709      0.2247551     0.7893320      0.3137644     1.206961       0.3221030     93.79440 27.84496 125.1922 20.21321 -0.000000      0.000000 
1 1 1 0  5  96  o 74.15585 20.53526 0.4726221      0.1818712     0.3197594      0.2500127     0.6444330      0.2650554     53.55278 27.13208 84.20253 26.04250 -0.000000      0.000000 
1 1 1 0  5  97  o 49.70247 21.26048 0.2543410      0.1489732     0.6249236      0.2252554     -0.3375793E-01 0.1986111     85.77267 22.00270 28.65605 19.00219 0.000000       0.000000 
1 1 1 0  5  98  o 51.99439 22.28701 0.2815972      0.1636506     0.2259371      0.2414443     0.3288991      0.2225790     45.52102 25.51607 54.36710 25.91599 0.000000       0.000000 
1 1 1 0  5  99  o 43.99644 20.88095 0.2096612      0.1443327     0.2001736      0.2182881     0.2170311      0.1923904     42.97792 24.19266 44.08587 23.42040 0.000000       0.000000 
1 1 1 0  5  100 o 63.73128 21.85767 0.3856210      0.1728782     0.2242142      0.2346645     0.5771954      0.2556556     44.79670 25.13704 76.65721 26.71516 -0.000000      0.000000 
1 1 1 0  5  101 o 26.68339 16.25984 0.5216958E-01  0.1127840     0.1281699E-01  0.1419797     0.1194693      0.1856719     26.21852 16.90873 35.80738 21.34147 -0.000000      0.000000 
1 1 1 0  5  102 o 25.03019 14.35575 0.5946115E-01  0.7882468E-01 0.1498320      0.8963602E-01 -0.2488397     0.1655601     38.13168 16.50767 18.85510 13.51770 -0.000000      0.000000 
1 1 1 0  5  103 o 9.965067 7.319931 -0.1862720     0.6807722E-01 0.1135191      0.1633986     -0.2492409     0.7488627E-01 34.31264 20.22067 9.648157 7.135135 0.000000       0.000000 
1 1 1 0  5  104 o 30.50940 18.04918 0.8530994E-01  0.1310850     0.3772320E-01  0.1677738     0.1598849      0.2100282     29.43959 18.74708 39.23914 23.01863 -0.000000      0.000000 
1 1 1 0  5  105 o 14.73932 10.48189 -0.1214921     0.9200484E-01 -0.8621300E-01 0.1811829     -0.1337502     0.1067993     24.78271 16.92734 16.06874 11.40233 0.000000       0.000000 
1 1 1 0  5  106 o 45.23035 22.07096 0.2302377      0.1625825     0.3699272      0.2508953     0.1291179      0.2134659     55.81171 27.38615 37.31783 22.55956 0.000000       0.000000 
1 1 1 0  5  107 o 34.47510 19.65046 0.1234531      0.1464265     0.1731168      0.1883738     0.4763231E-01  0.2327530     39.71178 22.42581 33.83545 21.75603 -0.000000      0.000000 
1 1 1 0  5  108 o 40.48623 21.54366 0.1852215      0.1630343     0.1554242      0.2114874     0.2288666      0.2559552     38.93166 22.97543 44.79850 25.79168 -0.000000      0.000000 
1 1 1 0  5  109 o 81.67559 22.01811 0.5915282      0.2146107     1.326995       0.3263583     0.3118422E-01  0.2848660     129.2800 19.62102 35.66662 23.34317 0.000000       0.000000 
1 1 1 0  5  110 o 51.87807 23.80771 0.3042414      0.1865508     -0.8179709E-01 0.2492199     0.7961837      0.2813355     29.54100 20.08802 93.36433 25.24834 -0.000000      0.000000 
1 1 1 0  5  111 o 57.75028 25.53936 0.3808592      0.2143891     1.026341       0.3845806     0.8982313E-01  0.2582372     99.79076 31.70687 36.37594 23.20112 0.000000       0.000000 
1 1 1 0  5  112 o 43.58642 26.66895 0.2240975      0.3062351     0.000000       0.000000      0.2240975      0.3062351     43.58642 26.66895 43.58642 26.66895 0.000000       0.000000 
1 1 1 0  5  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  0   o 395.6484 23.70743 10.94417       1.284536      10.94417       1.284536      0.000000       0.000000      395.6484 23.70743 395.6484 23.70743 -0.000000      0.000000 
1 1 1 0  6  1   o 374.3949 23.38811 9.826406       1.198288      9.826406       1.198288      0.000000       0.000000      374.3949 23.38811 374.3949 23.38811 -0.000000      0.000000 
1 1 1 0  6  2   o 365.9044 23.21964 9.388734       1.162339      0.000000       0.000000      9.388734       1.162339      365.9044 23.21964 365.9044 23.21964 0.000000       0.000000 
1 1 1 0  6  3   o 390.1327 23.28368 10.65911       1.244072      10.65911       1.244072      0.000000       0.000000      390.1327 23.28368 390.1327 23.28368 -0.000000      0.000000 
1 1 1 0  6  4   o 215.5544 23.25005 3.329848       0.6716434     0.000000       0.000000      3.329848       0.6716434     215.5544 23.25005 215.5544 23.25005 0.000000       0.000000 
1 1 1 0  6  5   o 115.8575 17.55631 0.9901445      0.2617687     0.9866955      0.3733070     0.9934808      0.3671632     109.8076 28.48996 110.7115 27.76632 0.000000       0.000000 
1 1 1 0  6  6   o 92.05763 19.01449 0.6558082      0.2133733     0.6954560      0.3013969     0.6159711      0.3021151     89.60242 27.81238 82.09786 29.23178 -0.000000      0.000000 
1 1 1 0  6  7   o 114.4301 17.46535 0.9667403      0.2568843     1.008444       0.3641524     0.9254299      0.3624324     112.0322 27.16003 105.5934 28.75427 -0.000000      0.000000 
1 1 1 0  6  8   o 220.1948 16.06848 3.406750       0.4825830     3.341874       0.6835700     3.471211       0.6813860     215.8026 23.66421 220.3132 22.96992 -0.000000      0.000000 
1 1 1 0  6  9   o 122.6713 17.01871 1.099315       0.2724293     1.223884       0.3875910     0.9776826      0.3829967     126.1389 25.05144 108.5054 29.56968 -0.000000      0.000000 
1 1 1 0  6  10  o 330.9393 16.18915 7.629978       0.7357565     7.574556       1.041020      7.685294       1.040014      328.1486 23.24261 330.6272 23.03734 -0.000000      0.000000 
1 1 1 0  6  11  o 907.7589 19.55439 57.13206       2.448487      53.28786       3.331109      61.64989       3.611191      874.7667 27.64022 941.0323 27.84642 0.000000       0.000000 
1 1 1 0  6  12  o 580.4172 17.29449 23.37288       1.383288      23.93283       1.972673      22.83118       1.940259      585.9319 24.47918 572.1740 24.66227 -0.000000      0.000000 
1 1 1 0  6  13  o 1091.437 21.09227 82.61504       3.176098      84.63968       4.572182      80.72697       4.415287      1102.202 30.09240 1076.477 29.75551 -0.000000      0.000000 
1 1 1 0  6  14  o 434.1239 16.59795 13.09635       0.9916593     13.15567       1.397449      13.03619       1.407440      433.7080 23.49211 431.6484 23.77853 0.000000       0.000000 
1 1 1 0  6  15  o 522.1185 16.99363 18.92359       1.222221      19.82372       1.756269      18.07827       1.701973      533.0401 23.97161 508.7963 24.35254 -0.000000      0.000000 
1 1 1 0  6  16  o 340.3370 16.27438 8.068619       0.7608204     7.999291       1.069851      8.139553       1.082180      337.2958 23.22350 340.2653 23.28293 0.000000       0.000000 
1 1 1 0  6  17  o 334.7853 16.30703 7.809987       0.7497619     6.835373       1.048208      8.830998       1.072869      310.9645 24.77342 354.8974 22.08914 -0.000000      0.000000 
1 1 1 0  6  18  o 349.3683 16.30307 8.500724       0.7825844     8.402020       1.107726      8.599077       1.105759      345.7011 23.45346 349.8733 23.11984 -0.000000      0.000000 
1 1 1 0  6  19  o 564.6701 17.23476 22.13194       1.340976      21.64128       1.882571      22.63732       1.910594      556.8030 24.59487 569.5938 24.39387 0.000000       0.000000 
1 1 1 0  6  20  o 319.8264 16.31946 7.133698       0.7164234     8.094085       1.024975      6.216297       1.001775      339.5435 22.07553 296.1807 24.89976 0.000000       0.000000 
1 1 1 0  6  21  o 506.1947 16.96637 17.79662       1.182871      18.06113       1.674654      17.53325       1.671016      508.4595 23.97377 500.8445 24.29268 0.000000       0.000000 
1 1 1 0  6  22  o 486.8682 16.88639 16.46834       1.132140      16.59146       1.597880      16.34423       1.604315      487.1775 23.88393 483.4353 24.17114 0.000000       0.000000 
1 1 1 0  6  23  o 723.0851 18.24961 36.28463       1.819514      35.02212       2.527264      37.64325       2.621696      708.5003 25.91149 734.6336 25.91798 0.000000       0.000000 
1 1 1 0  6  24  o 66.08749 20.87790 0.3805676      0.1674971     0.3933411      0.2402016     0.3684777      0.2336861     63.12451 26.99599 60.82124 26.65981 -0.000000      0.000000 
1 1 1 0  6  25  o 372.9698 16.45790 9.687233       0.8438342     9.873534       1.187868      9.497444       1.198933      375.0056 23.14187 367.5156 23.85606 0.000000       0.000000 
1 1 1 0  6  26  o 305.7848 16.28093 6.528859       0.6829858     6.772703       0.9759781     6.294846       0.9561043     309.7692 23.11310 298.3259 23.54752 -0.000000      0.000000 
1 1 1 0  6  27  o 422.8335 16.63258 12.43972       0.9676942     12.65824       1.365243      12.21909       1.371833      424.9517 23.42938 417.2931 23.98935 0.000000       0.000000 
1 1 1 0  6  28  o 328.7014 16.33933 7.538480       0.7374273     7.726311       1.040892      7.349208       1.044878      331.1193 23.02138 322.6015 23.75237 0.000000       0.000000 
1 1 1 0  6  29  o 103.6921 18.44408 0.8117766      0.2391760     0.8906121      0.3364452     0.7312306      0.3400759     104.1876 27.06234 90.22366 30.50563 0.000000       0.000000 
1 1 1 0  6  30  o 108.3268 18.25766 0.8791289      0.2497975     0.8479475      0.3498777     0.9115486      0.3567569     99.72423 29.24793 104.5730 28.57732 0.000000       0.000000 
1 1 1 0  6  31  o 100.0323 18.89330 0.7633156      0.2338103     0.8032860      0.3275592     0.7217963      0.3338458     97.30619 28.10182 89.68856 30.17176 0.000000       0.000000 
1 1 1 0  6  32  o 268.3450 16.29194 5.046751       0.5985798     5.063644       0.8481681     5.029988       0.8448808     266.6697 23.45123 265.7653 23.44240 -0.000000      0.000000 
1 1 1 0  6  33  o 179.2969 16.48853 2.285079       0.4002817     2.357801       0.5656103     2.212112       0.5665585     179.3703 24.05029 172.8946 25.32081 0.000000       0.000000 
1 1 1 0  6  34  o 110.2191 18.34624 0.9096619      0.2559562     0.9408959      0.3633204     0.8788858      0.3606478     106.3674 28.62327 101.4606 29.64293 -0.000000      0.000000 
1 1 1 0  6  35  o 127.1444 17.47801 1.183714       0.2903601     1.054453       0.4071225     1.317529       0.4142321     112.4500 30.33747 130.5068 25.86905 0.000000       0.000000 
1 1 1 0  6  36  o 118.7494 17.93019 1.043564       0.2741885     1.024355       0.3832525     1.063705       0.3924325     111.5644 28.78510 113.9965 28.83026 0.000000       0.000000 
1 1 1 0  6  37  o 189.5122 16.50490 2.549919       0.4243688     2.599219       0.6040004     2.501857       0.5963686     188.3800 24.33876 184.5221 24.63652 -0.000000      0.000000 
1 1 1 0  6  38  o 105.1542 18.72599 0.8374290      0.2462017     0.8646102      0.3511761     0.8111557      0.3452629     100.6693 29.11758 96.50222 29.63291 -0.000000      0.000000 
1 1 1 0  6  39  o 46.41884 20.39850 0.2153403      0.1367969     0.1215885      0.1949888     0.3062085      0.1919667     38.12524 22.26500 55.32894 24.16154 -0.000000      0.000000 
1 1 1 0  6  40  o 107.0092 29.46774 0.9639907      0.3765328     0.000000       0.000000      0.9639907      0.3765328     107.0092 29.46774 107.0092 29.46774 0.000000       0.000000 
1 1 1 0  6  41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  42  o 228.9635 23.82207 3.797341       0.7344866     0.000000       0.000000      3.797341       0.7344866     228.9635 23.82207 228.9635 23.82207 -0.000000      0.000000 
1 1 1 0  6  43  o 351.3444 23.64849 8.796911       1.135363      0.000000       0.000000      8.796911       1.135363      351.3444 23.64849 351.3444 23.64849 -0.000000      0.000000 
1 1 1 0  6  44  o 341.4716 16.54743 8.185319       0.7760537     8.299337       1.104041      8.073959       1.091085      340.9297 23.71568 336.1751 23.77799 -0.000000      0.000000 
1 1 1 0  6  45  o 142.4681 13.70053 1.449342       0.2637968     1.408751       0.3212142     1.533435       0.4623392     138.9238 17.49899 140.7010 26.55837 0.000000       0.000000 
1 1 1 0  6  46  o 254.5633 13.35993 4.542569       0.4666568     4.612420       0.5708981     4.401928       0.8100852     255.5851 16.32936 246.1938 24.37799 0.000000       0.000000 
1 1 1 0  6  47  o 253.4920 13.55054 4.508199       0.4712101     3.896977       0.5700701     5.826575       0.8372374     234.0385 17.88016 285.4201 21.52498 0.000000       0.000000 
1 1 1 0  6  48  o 222.3466 13.41076 3.476708       0.4083085     3.010176       0.7084892     3.708715       0.4996237     200.8251 26.90426 228.8738 15.98836 -0.000000      0.000000 
1 1 1 0  6  49  o 78.54260 16.80396 0.4840942      0.1600669     0.5135877      0.1929724     0.4190457      0.2865834     78.87081 20.50469 63.42642 29.48836 0.000000       0.000000 
1 1 1 0  6  50  o 28.74745 15.06096 0.8366047E-01  0.7874122E-01 0.8522400E-01  0.8899489E-01 0.7802403E-01  0.1689717     29.30556 15.81293 33.32585 20.10864 0.000000       0.000000 
1 1 1 0  6  51  o 134.0926 14.09520 1.293068       0.2543850     1.382181       0.4576513     1.253225       0.3060149     131.1586 28.88128 130.2924 17.98603 -0.000000      0.000000 
1 1 1 0  6  52  o 269.7302 13.49227 5.102653       0.4996507     5.107898       0.6066204     5.091587       0.8810946     268.8398 16.48322 264.6830 24.59604 0.000000       0.000000 
1 1 1 0  6  53  o 179.2599 13.66387 2.275330       0.3336979     2.417073       0.5951216     2.210327       0.4030150     179.6486 25.46811 175.4098 17.00611 -0.000000      0.000000 
1 1 1 0  6  54  o 122.1218 14.35629 1.080412       0.2333231     1.060671       0.4222980     1.089086       0.2799292     110.7667 31.83966 121.0859 17.88910 -0.000000      0.000000 
1 1 1 0  6  55  o 299.8908 13.54083 6.296381       0.5581180     6.787615       0.9922717     6.069051       0.6750165     307.2109 23.71645 293.2866 16.79400 -0.000000      0.000000 
1 1 1 0  6  56  o 182.8277 13.76712 2.365063       0.3430237     2.067285       0.4121904     3.035834       0.6186406     169.0577 18.18984 203.9330 22.68743 0.000000       0.000000 
1 1 1 0  6  57  o 111.2149 14.76670 0.9050867      0.2156028     0.9105576      0.3920456     0.9027148      0.2581444     101.0300 31.95703 109.1808 18.79403 -0.000000      0.000000 
1 1 1 0  6  58  o 148.7486 13.87189 1.578565       0.2792271     1.629008       0.3370068     1.468106       0.4986959     150.0600 16.80503 134.6639 30.78539 0.000000       0.000000 
1 1 1 0  6  59  o 120.9069 14.51500 1.059977       0.2330849     1.078724       0.4232784     1.051818       0.2792352     112.3141 31.53210 118.7438 18.33012 -0.000000      0.000000 
1 1 1 0  6  60  o 419.9765 13.80462 12.30803       0.7985887     11.16190       1.380225      12.88481       0.9791228     394.6836 25.57200 428.7383 16.59537 -0.000000      0.000000 
1 1 1 0  6  61  o 112.1273 15.33042 0.9226683      0.2247778     1.168601       0.4175054     0.8222872      0.2667351     119.3504 29.25065 102.4165 21.40322 -0.000000      0.000000 
1 1 1 0  6  62  o 19.59834 11.95802 0.2309332E-01  0.6118090E-01 0.5789299E-01  0.6448188E-01 -0.2909274     0.1936998     24.42146 13.36727 20.82611 14.87913 0.000000       0.000000 
1 1 1 0  6  63  o 168.3295 13.83353 2.009942       0.3165411     1.722298       0.5661836     2.140731       0.3817821     146.4953 31.95053 172.9548 16.32008 -0.000000      0.000000 
1 1 1 0  6  64  o 40.59472 16.64991 0.1603827      0.9214258E-01 0.2547997      0.1276332     0.5761001E-01  0.1331611     52.37298 19.14125 29.37042 17.78659 0.000000       0.000000 
1 1 1 0  6  65  o 287.3616 11.69227 5.761240       0.4621982     5.669722       0.6488007     5.855545       0.6586034     283.5128 16.70576 288.1769 16.67895 0.000000       0.000000 
1 1 1 0  6  66  o 73.76801 18.58713 0.4442536      0.1637413     0.5428391      0.2064913     0.2772526      0.2687539     80.87508 21.40182 51.87995 27.64298 -0.000000      0.000000 
1 1 1 0  6  67  o 45.02145 23.21006 0.2097976      0.1847899     0.2097976      0.1847899     0.000000       0.000000      45.02145 23.21006 45.02145 23.21006 -0.000000      0.000000 
1 1 1 0  6  68  o 166.8813 26.56092 2.117229       0.5656028     0.000000       0.000000      2.117229       0.5656028     166.8813 26.56092 166.8813 26.56092 -0.000000      0.000000 
1 1 1 0  6  69  o 231.9380 13.66970 3.785986       0.4343120     4.113603       0.5280060     3.100593       0.7637045     241.0420 16.02641 202.3732 29.07081 0.000000       0.000000 
1 1 1 0  6  70  o 119.4930 12.28826 1.023999       0.1978423     1.099613       0.2822354     0.9509478      0.2774096     121.5512 17.96926 111.5394 19.89842 -0.000000      0.000000 
1 1 1 0  6  71  o 105.6813 12.69634 0.8100910      0.1781944     0.9222590      0.2549783     0.7030066      0.2491333     110.5665 18.17771 92.97128 22.37995 -0.000000      0.000000 
1 1 1 0  6  72  o 130.1049 12.29303 1.209343       0.2163164     1.337211       0.3106131     1.088924       0.3014287     134.8381 17.49562 119.8745 19.84602 -0.000000      0.000000 
1 1 1 0  6  73  o 46.24854 17.72526 0.2032662      0.1069401     0.4199487      0.1556755     0.9650378E-02  0.1471562     71.48027 18.24429 27.13989 17.39040 -0.000000      0.000000 
1 1 1 0  6  74  o 48.51574 17.87828 0.2200994      0.1108745     0.2274344      0.1527295     0.2119268      0.1612149     47.04032 21.54401 45.06018 21.97964 0.000000       0.000000 
1 1 1 0  6  75  o 197.0818 11.99911 2.735288       0.3237653     2.577999       0.4515008     2.901781       0.4645235     189.0500 17.64948 201.1343 17.00533 0.000000       0.000000 
1 1 1 0  6  76  o 54.07605 18.24163 0.2639699      0.1217978     0.2980165      0.1780251     0.2340101      0.1669992     54.42622 23.23768 47.41619 22.46568 -0.000000      0.000000 
1 1 1 0  6  77  o 81.70905 15.20219 0.5116486      0.1540878     0.5463563      0.2251425     0.4810665      0.2113381     79.21535 23.64013 73.30499 23.64084 -0.000000      0.000000 
1 1 1 0  6  78  o 70.61079 16.68068 0.4014281      0.1412357     0.3888690      0.2061736     0.4125328      0.1938687     63.25870 24.70567 66.91331 23.23944 -0.000000      0.000000 
1 1 1 0  6  79  o 33.03947 5.211042 0.8089474E-01  0.2200516E-01 0.1965453      0.3324560E-01 -0.9278023E-02 0.2935607E-01 52.71166 4.650899 10.86386 7.236665 0.000000       0.000000 
1 1 1 0  6  80  o 36.07209 17.86852 0.1349571      0.1072244     0.1712535      0.1581948     0.1041110      0.1458346     40.65073 21.33377 33.87310 19.48293 -0.000000      0.000000 
1 1 1 0  6  81  o 28.36146 15.42846 0.7973675E-01  0.8536111E-01 0.7241187E-01  0.1220663     0.8674689E-01  0.1194151     29.68772 17.48560 30.86332 17.68350 -0.000000      0.000000 
1 1 1 0  6  82  o 72.94779 16.55500 0.4247796      0.1453853     0.3947321      0.1988003     0.4593253      0.2131620     64.36668 24.01570 70.61222 24.29911 0.000000       0.000000 
1 1 1 0  6  83  o 107.9814 13.28102 0.8502602      0.1899914     0.9126290      0.2758486     0.7939715      0.2620583     108.3267 20.60977 99.67879 21.73312 -0.000000      0.000000 
1 1 1 0  6  84  o 205.1969 12.20170 2.968698       0.3429248     3.033459       0.4830204     2.902880       0.4869412     205.3155 17.32112 200.4660 17.92066 0.000000       0.000000 
1 1 1 0  6  85  o 49.10178 18.61587 0.2290554      0.1184895     0.2781530      0.1674218     0.1797843      0.1677174     52.45293 22.54760 41.58807 21.92810 -0.000000      0.000000 
1 1 1 0  6  86  o 121.6031 13.44533 1.071044       0.2187137     0.9087095      0.3030803     1.247441       0.3159359     106.0664 23.69297 128.9445 18.94214 0.000000       0.000000 
1 1 1 0  6  87  o 128.4832 13.49136 1.192577       0.2333139     1.140661       0.3358051     1.241027       0.3244017     121.0047 22.33932 128.1102 19.73059 -0.000000      0.000000 
1 1 1 0  6  88  o 144.5953 14.76797 1.513107       0.2878093     1.443659       0.3613508     1.633605       0.4759834     138.4188 20.15207 143.7368 26.68441 -0.000000      0.000000 
1 1 1 0  6  89  o 91.90800 30.44199 0.7850553      0.3435712     0.000000       0.000000      0.7850553      0.3435712     91.90800 30.44199 91.90800 30.44199 0.000000       0.000000 
1 1 1 0  6  90  o 93.50770 37.11405 0.9072807      0.4622886     0.000000       0.000000      0.9072807      0.4622886     93.50770 37.11405 93.50770 37.11405 -0.000000      0.000000 
1 1 1 0  6  91  o 175.7444 18.48519 2.276196       0.4372268     2.276196       0.4372268     0.000000       0.000000      175.7444 18.48519 175.7444 18.48519 0.000000       0.000000 
1 1 1 0  6  92  o 63.57830 21.52672 0.3729949      0.1691797     0.2725362      0.2535173     0.4536503      0.2271593     49.90986 26.76593 67.92793 25.78235 -0.000000      0.000000 
1 1 1 0  6  93  o 87.25866 19.63105 0.6193355      0.2064195     0.3187880      0.3155524     0.8441433      0.2729108     53.39728 29.44539 101.7220 22.17852 -0.000000      0.000000 
1 1 1 0  6  94  o 17.10571 11.72291 -0.5586974E-01 0.8852123E-01 -0.5782612E-01 0.1625363     -0.5504474E-01 0.1055483     24.70204 16.62928 19.18128 13.05171 0.000000       0.000000 
1 1 1 0  6  95  o 51.09220 21.70416 0.2701708      0.1554335     0.3271544      0.2190291     0.2123607      0.2206117     54.29039 25.72778 44.15803 24.52270 0.000000       0.000000 
1 1 1 0  6  96  o 40.23726 20.61079 0.1774184      0.1451868     0.1534414      0.2015426     0.2032839      0.2093291     39.08353 22.71762 43.05662 23.89590 -0.000000      0.000000 
1 1 1 0  6  97  o 57.28465 21.98803 0.3277018      0.1644605     0.3437136      0.2372149     0.3128825      0.2282108     54.65409 26.66137 52.09817 26.02393 -0.000000      0.000000 
1 1 1 0  6  98  f 21.13008 14.17049 -0.3583563E-01 0.1159135     -0.1453049     0.1499847     0.1265158      0.1826539     20.17085 14.15070 36.20173 21.35774 -0.000000      0.000000 
1 1 1 0  6  99  o 74.20039 22.32049 0.5018571      0.1993444     0.2120696      0.3021210     0.7252929      0.2652879     45.01233 27.02418 89.80048 24.73989 -0.000000      0.000000 
1 1 1 0  6  100 f 46.14912 21.51365 0.2340715      0.1525805     0.5620502      0.2270097     -0.3619055E-01 0.2060697     77.49332 24.19233 28.59948 19.08908 0.000000       0.000000 
1 1 1 0  6  101 o 45.72408 21.26113 0.2295503      0.1489803     0.5126472      0.2261119     0.1236902E-01  0.1980465     72.13633 25.11734 30.12672 19.62826 0.000000       0.000000 
1 1 1 0  6  102 o 71.90269 21.53246 0.4704404      0.1862310     0.1470334      0.2530774     0.8523896      0.2750308     39.80615 24.30333 99.85915 22.90348 -0.000000      0.000000 
1 1 1 0  6  103 o 44.89999 10.38145 0.1622443      0.5600690E-01 -0.2785961     0.1639997     0.2204459      0.5958945E-01 18.05818 13.02239 54.17469 8.619587 0.000000       0.000000 
1 1 1 0  6  104 o 21.89258 14.52769 -0.2144547E-01 0.1164231     0.3123406E-01  0.1959113     -0.5020604E-01 0.1447562     30.90952 19.90749 23.14435 15.61414 0.000000       0.000000 
1 1 1 0  6  105 o 139.2957 14.94592 1.452146       0.2791140     0.4616708      0.3802687     2.609012       0.4109704     59.28775 32.45792 186.8384 16.21037 -0.000000      0.000000 
1 1 1 0  6  106 f 67.38123 23.97101 0.4499786      0.2032647     1.177505       0.3020802     -0.1519717     0.2747755     121.5903 19.49487 29.23412 20.19131 0.000000       0.000000 
1 1 1 0  6  107 o 30.36419 18.77231 0.6778749E-01  0.1553713     0.5008957      0.2410757     -0.2399281     0.2032029     68.70113 26.68587 22.02312 15.64608 0.000000       0.000000 
1 1 1 0  6  108 o 100.4710 22.44007 0.8698968      0.2719146     0.1512252      0.3282848     2.440442       0.4853005     41.65815 26.40379 174.6210 20.92128 -0.000000      0.000000 
1 1 1 0  6  109 o 21.38229 15.16962 -0.2102970     0.1886788     0.000000       0.000000      -0.2102970     0.1886788     21.38229 15.16962 21.38229 15.16962 0.000000       0.000000 
1 1 1 0  6  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  0   o 662.3865 25.47076 30.53595       2.321833      30.53595       2.321833      0.000000       0.000000      662.3865 25.47076 662.3865 25.47076 -0.000000      0.000000 
1 1 1 0  7  1   o 740.0449 18.57866 38.02921       1.895795      42.30308       2.780642      34.31709       2.591463      778.5571 25.93043 700.6650 26.87508 -0.000000      0.000000 
1 1 1 0  7  2   o 924.4828 27.95230 59.68650       3.560860      59.68650       3.560860      0.000000       0.000000      924.4828 27.95230 924.4828 27.95230 -0.000000      0.000000 
1 1 1 0  7  3   o 432.3485 23.60514 13.10096       1.399618      13.10096       1.399618      0.000000       0.000000      432.3485 23.60514 432.3485 23.60514 -0.000000      0.000000 
1 1 1 0  7  4   o 156.4267 24.94148 1.823446       0.4976877     0.000000       0.000000      1.823446       0.4976877     156.4267 24.94148 156.4267 24.94148 0.000000       0.000000 
1 1 1 0  7  5   f 217.1372 23.50063 3.387567       0.6837059     3.387567       0.6837059     0.000000       0.000000      217.1372 23.50063 217.1372 23.50063 -0.000000      0.000000 
1 1 1 0  7  6   o 209.3182 16.37589 3.089318       0.4666514     2.956584       0.6531203     3.227748       0.6669876     202.0334 24.34879 211.7531 23.55711 -0.000000      0.000000 
1 1 1 0  7  7   o 296.7108 16.29778 6.151774       0.6631233     6.384265       0.9432085     5.924542       0.9324794     300.5644 23.03773 289.1342 23.72362 0.000000       0.000000 
1 1 1 0  7  8   o 568.8127 17.26827 22.47920       1.353472      22.48035       1.913178      22.47805       1.915020      567.0164 24.54011 566.9798 24.56555 0.000000       0.000000 
1 1 1 0  7  9   o 804.1918 18.76769 44.91478       2.081489      43.57760       2.908531      46.31858       2.980113      789.7031 26.74251 814.3033 26.56790 -0.000000      0.000000 
1 1 1 0  7  10  o 847.6353 19.06694 49.90350       2.229110      49.68460       3.140057      50.12588       3.164966      843.2281 27.03128 846.9401 27.12618 0.000000       0.000000 
1 1 1 0  7  11  o 355.2890 16.28503 8.798856       0.7951064     8.319878       1.112285      9.299378       1.137024      343.5218 23.70828 363.6974 22.84745 0.000000       0.000000 
1 1 1 0  7  12  o 225.0340 16.26467 3.562464       0.4993285     2.574136       0.6970794     4.604006       0.7155992     185.6323 29.40324 255.0864 20.62656 -0.000000      0.000000 
1 1 1 0  7  13  o 512.7362 16.99516 18.27992       1.200258      19.53326       1.727169      17.10936       1.669160      528.3449 23.78414 494.0234 24.60807 -0.000000      0.000000 
1 1 1 0  7  14  o 248.0286 16.20013 4.316412       0.5493983     4.476171       0.7810963     4.159990       0.7729016     250.6371 23.01566 241.1433 23.73997 -0.000000      0.000000 
1 1 1 0  7  15  o 106.7187 18.19852 0.8547677      0.2447569     0.8408936      0.3450213     0.8688229      0.3472667     99.41391 28.95096 101.6281 28.58583 0.000000       0.000000 
1 1 1 0  7  16  o 59.05800 20.75316 0.3171091      0.1534985     0.4724862      0.2159870     0.1585474      0.2181892     72.90086 24.13148 42.02026 23.97288 0.000000       0.000000 
1 1 1 0  7  17  o 170.3010 16.41022 2.065526       0.3776666     1.986239       0.5299668     2.147336       0.5383340     163.3783 25.29762 170.7475 24.24485 0.000000       0.000000 
1 1 1 0  7  18  o 172.7478 16.39565 2.123889       0.3829983     2.156666       0.5459180     2.092119       0.5374636     170.9575 24.60658 168.1901 24.70430 -0.000000      0.000000 
1 1 1 0  7  19  o 193.0948 16.27717 2.639669       0.4269027     2.559521       0.6061063     2.718573       0.6013844     186.9996 24.66679 193.5076 23.41861 -0.000000      0.000000 
1 1 1 0  7  20  o 217.0421 16.22870 3.320953       0.4801173     3.429927       0.6774488     3.210983       0.6805384     218.3784 23.05399 210.6055 24.23469 0.000000       0.000000 
1 1 1 0  7  21  o 298.8872 16.25114 6.251043       0.6661702     6.267153       0.9455026     6.235164       0.9387475     297.1610 23.37537 296.4266 23.26433 -0.000000      0.000000 
1 1 1 0  7  22  o 289.0731 16.26373 5.852169       0.6444814     5.979743       0.9158965     5.727051       0.9070368     290.1385 23.20277 283.7114 23.52530 -0.000000      0.000000 
1 1 1 0  7  23  o 243.9534 16.27423 4.184689       0.5426090     4.040790       0.7684901     4.327748       0.7662449     237.0550 24.04454 245.9568 23.02540 -0.000000      0.000000 
1 1 1 0  7  24  o 410.2949 16.63407 11.74550       0.9388741     11.93511       1.334874      11.55987       1.320776      411.4218 23.67654 404.7881 23.81876 -0.000000      0.000000 
1 1 1 0  7  25  f 128.6325 17.29788 1.209471       0.2916258     1.358560       0.4112520     1.058675       0.4136003     133.1621 24.92342 112.2837 30.85044 0.000000       0.000000 
1 1 1 0  7  26  o 75.78297 20.83236 0.4791540      0.1885038     0.5531280      0.2658102     0.4043117      0.2673657     77.76124 27.30284 63.10497 28.52459 0.000000       0.000000 
1 1 1 0  7  27  o 368.9229 16.53602 9.513005       0.8385209     9.702720       1.195809      9.329484       1.176131      370.2861 23.60767 362.9750 23.69781 -0.000000      0.000000 
1 1 1 0  7  28  o 223.0665 16.36220 3.512422       0.4977483     3.666105       0.7117246     3.365299       0.6963713     225.4375 23.44432 215.3860 24.19969 -0.000000      0.000000 
1 1 1 0  7  29  o 151.4091 26.36302 1.742989       0.5011178     0.000000       0.000000      1.742989       0.5011178     151.4091 26.36302 151.4091 26.36302 0.000000       0.000000 
1 1 1 0  7  30  o 232.0080 23.90602 3.889040       0.7472312     0.000000       0.000000      3.889040       0.7472312     232.0080 23.90602 232.0080 23.90602 0.000000       0.000000 
1 1 1 0  7  31  o 322.8715 23.79124 7.429808       1.047443      0.000000       0.000000      7.429808       1.047443      322.8715 23.79124 322.8715 23.79124 0.000000       0.000000 
1 1 1 0  7  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  33  o 180.7524 24.51050 2.416664       0.5800347     0.000000       0.000000      2.416664       0.5800347     180.7524 24.51050 180.7524 24.51050 -0.000000      0.000000 
1 1 1 0  7  34  o 42.79976 22.45705 0.1867986      0.1752654     0.1867986      0.1752654     0.000000       0.000000      42.79976 22.45705 42.79976 22.45705 0.000000       0.000000 
1 1 1 0  7  35  o 101.9487 19.37902 0.7984350      0.2441421     0.6965863      0.3382068     0.9092584      0.3527932     86.39796 31.00042 103.8161 28.46306 0.000000       0.000000 
1 1 1 0  7  36  o 501.9087 17.13862 17.64246       1.184648      17.92602       1.676793      17.35989       1.673901      502.3739 24.30174 494.1095 24.67437 0.000000       0.000000 
1 1 1 0  7  37  o 367.0988 16.63629 9.460850       0.8393477     9.953561       1.199028      8.987398       1.175359      373.6074 23.45400 354.3825 24.28102 -0.000000      0.000000 
1 1 1 0  7  38  o 102.0880 19.24807 0.8005120      0.2431706     0.8243132      0.3485900     0.7779511      0.3393852     96.76083 29.82141 93.35762 29.86425 -0.000000      0.000000 
1 1 1 0  7  39  o 108.3274 18.83783 0.8901693      0.2562483     0.8018780      0.3573484     0.9836248      0.3676507     94.17415 30.96686 108.5500 28.38719 0.000000       0.000000 
1 1 1 0  7  40  o 59.02621 22.10414 0.3283913      0.1680986     0.3384170      0.2421926     0.3190724      0.2335003     57.02302 27.05047 55.33756 26.52550 -0.000000      0.000000 
1 1 1 0  7  41  o 157.1562 17.15736 1.786541       0.3610510     1.842772       0.5056871     1.728068       0.5156657     155.5664 25.63335 148.9869 27.94218 0.000000       0.000000 
1 1 1 0  7  42  o 53.81301 21.71124 0.2819244      0.1574264     0.3532702      0.2144549     0.1985511      0.2318277     59.24556 25.52352 45.05087 25.09526 0.000000       0.000000 
1 1 1 0  7  43  o 264.4731 16.56800 4.946663       0.5996053     4.783793       0.8407968     5.115212       0.8553301     256.5343 24.23285 265.7393 23.74595 0.000000       0.000000 
1 1 1 0  7  44  o 208.6212 16.66588 3.099745       0.4730443     2.937161       0.6620092     3.269368       0.6761876     199.0140 25.18867 211.0302 24.00764 0.000000       0.000000 
1 1 1 0  7  45  o 298.4789 16.59626 6.284525       0.6791740     5.950127       0.9497905     6.634439       0.9715741     286.7670 24.39218 303.5968 23.49994 0.000000       0.000000 
1 1 1 0  7  46  o 243.3517 16.58503 4.194940       0.5513569     4.412830       0.7878581     3.985809       0.7718609     246.5521 23.64129 233.5256 24.55834 -0.000000      0.000000 
1 1 1 0  7  47  o 67.90337 22.41138 0.4128808      0.1866791     0.3722383      0.2573174     0.4580407      0.2712407     59.86075 27.93666 67.50758 28.67080 0.000000       0.000000 
1 1 1 0  7  48  o 180.8675 16.87622 2.343941       0.4130432     2.206540       0.5875849     2.478159       0.5807378     170.4985 26.97994 182.7755 24.19184 -0.000000      0.000000 
1 1 1 0  7  49  o 174.8039 17.08866 2.194840       0.4034255     2.241487       0.5638424     2.145913       0.5774612     172.9385 25.16624 168.0331 26.97183 0.000000       0.000000 
1 1 1 0  7  50  o 328.7350 16.67443 7.604260       0.7524498     7.554708       1.070290      7.652688       1.058065      324.2855 24.21240 326.6550 23.74606 -0.000000      0.000000 
1 1 1 0  7  51  o 334.6783 13.55423 7.828856       0.6240489     7.611557       0.7589551     8.282417       1.096496      328.8876 16.81236 340.1835 23.60392 0.000000       0.000000 
1 1 1 0  7  52  f 192.7557 13.54573 2.621449       0.3564454     2.658703       0.6278253     2.603729       0.4329979     189.2247 25.29557 191.0177 16.71043 -0.000000      0.000000 
1 1 1 0  7  53  o 187.3988 13.59873 2.480000       0.3476288     2.404737       0.4211873     2.640825       0.6156918     183.3199 16.97350 188.8433 24.79677 0.000000       0.000000 
1 1 1 0  7  54  o 284.6524 13.53214 5.671916       0.5291474     5.071097       0.9194888     5.969421       0.6470251     264.0686 25.78102 291.2265 16.20457 -0.000000      0.000000 
1 1 1 0  7  55  o 357.6452 13.66000 8.933727       0.6723574     9.396354       0.8238854     8.011291       1.163375      365.9249 16.38033 333.6221 25.60045 0.000000       0.000000 
1 1 1 0  7  56  o 63.59834 18.65294 0.3452912      0.1423030     0.3612271      0.1678630     0.3045860      0.2682822     63.25426 21.45650 54.07350 27.94475 0.000000       0.000000 
1 1 1 0  7  57  o 196.2962 13.66936 2.717928       0.3663822     3.075206       0.6564118     2.556253       0.4415659     204.7964 24.08519 189.0464 17.24566 -0.000000      0.000000 
1 1 1 0  7  58  o 103.2995 15.26904 0.7895118      0.2038174     0.8995247      0.2424574     0.5244867      0.3763195     109.7428 17.28084 70.52474 33.68898 0.000000       0.000000 
1 1 1 0  7  59  o 169.6007 13.89358 2.040763       0.3203481     2.061740       0.3865211     1.994740       0.5725131     169.3941 16.91148 160.9224 28.40702 0.000000       0.000000 
1 1 1 0  7  60  o 47.40911 22.24363 0.2311336      0.1633021     0.4359870      0.2670961     0.1088455      0.2063660     65.61509 28.49727 37.66700 22.47504 -0.000000      0.000000 
1 1 1 0  7  61  o 73.33481 32.11536 0.5508043      0.3391239     0.000000       0.000000      0.5508043      0.3391239     73.33481 32.11536 73.33481 32.11536 0.000000       0.000000 
1 1 1 0  7  62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  63  o 192.6012 16.81388 2.652324       0.4393225     0.000000       0.000000      2.652324       0.4393225     192.6012 16.81388 192.6012 16.81388 -0.000000      0.000000 
1 1 1 0  7  64  o 47.27282 18.81429 0.2156608      0.1186925     -0.3209562E-01 0.2466480     0.2903254      0.1354012     32.91602 21.60546 56.65457 19.29844 -0.000000      0.000000 
1 1 1 0  7  65  o 225.5611 13.71429 3.585059       0.4235280     4.154742       0.7624825     3.330864       0.5093274     238.6140 23.67659 215.9758 17.33560 -0.000000      0.000000 
1 1 1 0  7  66  o 89.67863 16.89218 0.6177860      0.1874985     0.6779534      0.3528399     0.5941098      0.2213358     83.22274 32.27381 84.70918 21.89507 -0.000000      0.000000 
1 1 1 0  7  67  o 69.01221 19.82940 0.4060925      0.1638559     0.6373202      0.3232018     0.3261011      0.1900970     81.19920 30.73217 57.18602 23.97639 -0.000000      0.000000 
1 1 1 0  7  68  o 233.2843 13.75415 3.837983       0.4395292     3.900067       0.5304047     3.701912       0.7852361     234.0699 16.60246 222.7558 26.52100 0.000000       0.000000 
1 1 1 0  7  69  o 164.1484 14.37819 1.925483       0.3201441     1.818622       0.3784127     2.194559       0.6004727     157.8875 17.95708 168.3708 28.20741 0.000000       0.000000 
1 1 1 0  7  70  o 157.5774 14.50265 1.779263       0.3094133     1.870179       0.5869247     1.744271       0.3641203     152.1902 31.67359 154.6215 17.64873 -0.000000      0.000000 
1 1 1 0  7  71  o 13.45799 9.097143 -0.2385267E-01 0.4959077E-01 -0.1719300     0.2714897     -0.1874149E-01 0.5043937E-01 29.82043 20.46151 13.99583 9.373861 -0.000000      0.000000 
1 1 1 0  7  72  o 140.4512 14.85616 1.425600       0.2807436     1.350089       0.3278134     1.633371       0.5437692     134.8195 18.62179 140.8065 32.09328 0.000000       0.000000 
1 1 1 0  7  73  o 220.9393 14.07412 3.454117       0.4253757     3.203717       0.5046728     4.068470       0.7904987     211.1959 17.58614 234.3012 25.16751 0.000000       0.000000 
1 1 1 0  7  74  f 115.5477 16.25157 0.9894246      0.2445576     1.070944       0.4850569     0.9616393      0.2831851     106.1780 36.70741 111.6761 20.36977 -0.000000      0.000000 
1 1 1 0  7  75  o 142.6506 15.11580 1.472410       0.2900967     1.272686       0.3394963     2.012832       0.5584525     129.6561 20.49508 160.8356 27.58040 0.000000       0.000000 
1 1 1 0  7  76  o 28.07421 14.98583 0.7936406E-01  0.7912148E-01 0.1147378E-02  0.2909883     0.8560853E-01  0.8221918E-01 36.93569 23.96312 29.04390 15.34253 -0.000000      0.000000 
1 1 1 0  7  77  o 120.4283 15.87427 1.068328       0.2512234     1.001375       0.2913998     1.262156       0.4958095     114.0215 20.47106 119.1836 34.70309 0.000000       0.000000 
1 1 1 0  7  78  o 117.8531 13.23803 1.005888       0.2084431     1.056180       0.3044324     0.9615014      0.2859966     117.1595 20.76334 111.4087 20.68668 -0.000000      0.000000 
1 1 1 0  7  79  o 122.3794 13.31099 1.082601       0.2181872     0.9988920      0.3014635     1.174689       0.3161896     113.2057 21.55595 124.4710 19.92821 0.000000       0.000000 
1 1 1 0  7  80  o 204.4413 12.02488 2.945395       0.3367707     2.690867       0.4792903     3.193600       0.4732977     192.5900 18.40938 211.1716 16.46166 -0.000000      0.000000 
1 1 1 0  7  81  o 190.7746 12.21202 2.570775       0.3186736     2.552409       0.4583991     2.587951       0.4433239     187.5647 18.08539 189.2896 17.29305 -0.000000      0.000000 
1 1 1 0  7  82  o 42.77341 19.19992 0.1867584      0.1211034     0.2046114      0.1836722     0.1730280      0.1610759     44.14878 23.03721 40.79817 21.49553 -0.000000      0.000000 
1 1 1 0  7  83  o 113.6744 15.19146 0.9536213      0.2265144     0.8176275      0.2846995     1.188204       0.3739169     99.79805 23.80981 121.9121 25.15773 0.000000       0.000000 
1 1 1 0  7  84  o 233.3038 16.80352 3.902676       0.5348749     3.310302       0.7552019     4.498910       0.7576587     207.8480 27.68861 247.2337 22.62950 0.000000       0.000000 
1 1 1 0  7  85  o 70.64140 28.94294 0.5066964      0.2785186     0.5066964      0.2785186     0.000000       0.000000      70.64140 28.94294 70.64140 28.94294 -0.000000      0.000000 
1 1 1 0  7  86  o 39.92362 24.64697 0.1043577      0.2668528     0.1043577      0.2668528     0.000000       0.000000      39.92362 24.64697 39.92362 24.64697 0.000000       0.000000 
1 1 1 0  7  87  f 205.9698 17.64105 3.086741       0.4932579     3.086741       0.4932579     0.000000       0.000000      205.9698 17.64105 205.9698 17.64105 0.000000       0.000000 
1 1 1 0  7  88  o 64.08520 20.41339 0.3688286      0.1590950     0.3579298      0.2093945     0.3837120      0.2446964     58.72974 25.21340 59.73091 27.27393 0.000000       0.000000 
1 1 1 0  7  89  o 59.03339 20.35415 0.3237357      0.1493861     0.3290190      0.2230459     0.3194378      0.2011711     54.94513 25.97118 54.77815 24.74373 -0.000000      0.000000 
1 1 1 0  7  90  o 25.68309 16.12973 0.2948253E-01  0.1194118     -0.1197994     0.1650134     0.1935994      0.1730184     22.56569 15.60032 42.24106 22.27206 -0.000000      0.000000 
1 1 1 0  7  91  o 52.61187 21.68857 0.2822534      0.1561223     0.2530194      0.2131000     0.3161243      0.2293782     47.52374 24.80982 52.98827 26.15391 0.000000       0.000000 
1 1 1 0  7  92  o 39.40584 18.17615 0.1639364      0.1087919     0.3137820      0.1446803     -0.3102691E-01 0.1650303     57.67591 20.09585 25.96726 17.25328 -0.000000      0.000000 
1 1 1 0  7  93  o 52.31707 21.28872 0.2795481      0.1509831     0.3098618      0.2093446     0.2466878      0.2179607     52.46126 25.11946 46.50327 24.85676 0.000000       0.000000 
1 1 1 0  7  94  o 102.9379 15.45133 0.8107923      0.2050334     0.8114442      0.2887372     0.8101294      0.2912006     95.56557 25.32542 95.18058 25.63734 0.000000       0.000000 
1 1 1 0  7  95  o 53.45395 20.07887 0.2810037      0.1384910     0.3428211      0.2047486     0.2288699      0.1880293     55.73550 24.96408 44.78850 23.32591 0.000000       0.000000 
1 1 1 0  7  96  o 120.5075 18.68709 1.140063       0.2886859     1.321189       0.5197147     1.059239       0.3471715     110.9830 37.81115 109.6315 26.45188 0.000000       0.000000 
1 1 1 0  7  97  o 46.28997 22.71280 0.2424398      0.1725691     0.7609031E-01  0.2483042     0.3978568      0.2400063     36.00342 22.87979 59.01577 27.00808 -0.000000      0.000000 
1 1 1 0  7  98  o 42.58937 21.77507 0.2054459      0.1618806     0.4208130      0.2296541     -0.7239943E-02 0.2282201     61.93279 26.38857 31.17788 20.57280 0.000000       0.000000 
1 1 1 0  7  99  o 25.19323 16.23375 0.1312600E-01  0.1304922     0.9244316E-01  0.2062925     -0.3978099E-01 0.1684831     34.80002 21.56575 25.60775 17.14509 0.000000       0.000000 
1 1 1 0  7  100 o 114.3374 18.20166 1.028081       0.2655492     1.235444       0.3461692     0.7315803      0.4139387     122.2910 22.83423 76.30324 35.44168 0.000000       0.000000 
1 1 1 0  7  101 o 93.28941 21.71463 0.7399957      0.2432417     0.4782073      0.3736004     0.9326204      0.3204706     60.54873 32.48571 101.8862 26.35759 -0.000000      0.000000 
1 1 1 0  7  102 o 41.18114 22.31717 0.1923534      0.1779775     0.1273407      0.2493866     0.2598335      0.2540753     38.54697 23.81009 46.88229 26.21577 0.000000       0.000000 
1 1 1 0  7  103 o 212.5491 15.09829 3.340558       0.4379870     3.124742       0.7166926     3.469204       0.5533381     189.6826 29.48539 212.4014 19.22908 -0.000000      0.000000 
1 1 1 0  7  104 o 118.8696 18.38569 1.120061       0.2802872     0.8255941      0.4446468     1.314216       0.3610537     79.17674 36.73493 125.1181 23.25909 -0.000000      0.000000 
1 1 1 0  7  105 o 105.6778 25.28885 1.002585       0.3201277     0.7068179      0.4295795     1.371972       0.4800755     70.68753 35.62085 114.3716 34.81273 -0.000000      0.000000 
1 1 1 0  7  106 o 26.53716 17.86349 -0.3926979E-01 0.1874997     0.000000       0.000000      -0.3926979E-01 0.1874997     26.53716 17.86349 26.53716 17.86349 0.000000       0.000000 
1 1 1 0  7  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  0   o 181.7298 24.54528 2.417359       0.5842989     0.000000       0.000000      2.417359       0.5842989     181.7298 24.54528 181.7298 24.54528 0.000000       0.000000 
1 1 1 0  8  1   o 264.7690 16.60032 4.929715       0.6014379     3.425725       0.8370873     6.534595       0.8647081     214.6755 29.89745 303.9200 20.82963 0.000000       0.000000 
1 1 1 0  8  2   o 443.1037 23.86129 13.86519       1.450275      0.000000       0.000000      13.86519       1.450275      443.1037 23.86129 443.1037 23.86129 0.000000       0.000000 
1 1 1 0  8  3   o 503.8012 24.19735 17.90222       1.674462      17.90222       1.674462      0.000000       0.000000      503.8012 24.19735 503.8012 24.19735 -0.000000      0.000000 
1 1 1 0  8  4   o 243.7693 23.35094 4.269339       0.7694316     0.000000       0.000000      4.269339       0.7694316     243.7693 23.35094 243.7693 23.35094 0.000000       0.000000 
1 1 1 0  8  5   o 315.8093 23.39918 7.093356       1.007507      0.000000       0.000000      7.093356       1.007507      315.8093 23.39918 315.8093 23.39918 0.000000       0.000000 
1 1 1 0  8  6   o 240.0541 23.56357 4.147352       0.7637932     4.147352       0.7637932     0.000000       0.000000      240.0541 23.56357 240.0541 23.56357 -0.000000      0.000000 
1 1 1 0  8  7   o 191.0687 24.26387 2.675697       0.6120227     0.000000       0.000000      2.675697       0.6120227     191.0687 24.26387 191.0687 24.26387 0.000000       0.000000 
1 1 1 0  8  8   o 217.0091 23.84693 3.414335       0.6925850     3.414335       0.6925850     0.000000       0.000000      217.0091 23.84693 217.0091 23.84693 -0.000000      0.000000 
1 1 1 0  8  9   o 404.7316 23.80391 11.60013       1.319778      0.000000       0.000000      11.60013       1.319778      404.7316 23.80391 404.7316 23.80391 0.000000       0.000000 
1 1 1 0  8  10  f 644.0981 25.41950 29.29041       2.252775      29.29041       2.252775      0.000000       0.000000      644.0981 25.41950 644.0981 25.41950 -0.000000      0.000000 
1 1 1 0  8  11  o 552.8406 24.66278 21.59083       1.874166      21.59083       1.874166      0.000000       0.000000      552.8406 24.66278 552.8406 24.66278 -0.000000      0.000000 
1 1 1 0  8  12  o 166.7947 25.12330 2.077869       0.5398571     0.000000       0.000000      2.077869       0.5398571     166.7947 25.12330 166.7947 25.12330 0.000000       0.000000 
1 1 1 0  8  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  16  o 235.3434 23.58772 4.003395       0.7488642     4.003395       0.7488642     0.000000       0.000000      235.3434 23.58772 235.3434 23.58772 0.000000       0.000000 
1 1 1 0  8  17  o 147.7978 26.00837 1.669018       0.4816830     1.669018       0.4816830     0.000000       0.000000      147.7978 26.00837 147.7978 26.00837 0.000000       0.000000 
1 1 1 0  8  18  o 96.40564 29.23973 0.8102543      0.3397006     0.8102543      0.3397006     0.000000       0.000000      96.40564 29.23973 96.40564 29.23973 0.000000       0.000000 
1 1 1 0  8  19  o 185.3629 24.33156 2.536579       0.5930296     0.000000       0.000000      2.536579       0.5930296     185.3629 24.33156 185.3629 24.33156 -0.000000      0.000000 
1 1 1 0  8  20  o 243.1177 16.51112 4.175864       0.5484138     5.597500       0.7874172     2.836651       0.7642500     280.4434 20.58901 192.8841 31.12551 0.000000       0.000000 
1 1 1 0  8  21  o 495.4145 17.03308 17.18280       1.162076      16.50796       1.621168      17.89600       1.666621      481.9746 24.50390 502.1638 24.16305 0.000000       0.000000 
1 1 1 0  8  22  o 115.2213 18.09350 0.9914629      0.2666667     1.362091       0.3766958     0.6191455      0.3775530     134.3379 22.10693 77.92473 33.88186 0.000000       0.000000 
1 1 1 0  8  23  o 432.6621 16.76038 13.12115       0.9979029     13.36504       1.421977      12.88450       1.400758      433.3427 23.93104 425.3629 24.02400 -0.000000      0.000000 
1 1 1 0  8  24  o 264.2755 16.35384 4.927596       0.5915436     5.114944       0.8427565     4.745650       0.8305157     266.4266 23.31889 256.1010 23.96788 -0.000000      0.000000 
1 1 1 0  8  25  o 48.47854 20.54243 0.2327985      0.1392972     0.1966831      0.1910080     0.2738264      0.2035850     43.92817 23.33625 51.36908 24.75185 0.000000       0.000000 
1 1 1 0  8  26  o 52.35104 20.93076 0.2651580      0.1467008     0.3205090      0.2126937     0.2149327      0.2026064     55.93767 25.43364 45.76548 24.10920 -0.000000      0.000000 
1 1 1 0  8  27  o 94.11049 19.65855 0.6935620      0.2251385     0.7462149      0.3223935     0.6434432      0.3145395     91.65054 28.97265 82.77425 29.97790 -0.000000      0.000000 
1 1 1 0  8  28  o 37.65686 18.64575 0.1461211      0.1167353     0.1558202      0.1704682     0.1375566      0.1601882     39.68344 21.72947 37.67907 20.90650 -0.000000      0.000000 
1 1 1 0  8  29  o 135.6479 17.35089 1.346963       0.3104458     1.317137       0.4427347     1.375813       0.4354298     127.8705 28.72798 132.1073 26.99391 -0.000000      0.000000 
1 1 1 0  8  30  o 125.9057 17.79920 1.172267       0.2916222     1.422851       0.4099792     0.9156355      0.4148970     136.2567 24.01894 99.79209 33.67021 0.000000       0.000000 
1 1 1 0  8  31  o 452.5922 17.00265 14.39034       1.059176      15.41058       1.528339      13.44752       1.469213      464.5583 23.97116 433.2440 24.74384 -0.000000      0.000000 
1 1 1 0  8  32  o 226.8249 16.54369 3.652702       0.5118217     3.771802       0.7332302     3.539522       0.7147730     227.1828 23.98534 219.7000 24.32314 -0.000000      0.000000 
1 1 1 0  8  33  o 72.18043 21.56835 0.4498011      0.1872033     0.5080613      0.2707537     0.3964399      0.2591203     72.33720 28.32702 62.02313 28.07899 -0.000000      0.000000 
1 1 1 0  8  34  o 217.3834 16.52416 3.358835       0.4894125     3.306994       0.6986172     3.408796       0.6858276     211.9143 24.75808 215.7890 23.75069 -0.000000      0.000000 
1 1 1 0  8  35  o 179.1639 16.68863 2.300371       0.4046327     2.368336       0.5795020     2.235711       0.5652386     177.9844 24.99429 172.4912 25.33257 -0.000000      0.000000 
1 1 1 0  8  36  o 251.0166 16.47548 4.458142       0.5654119     4.589476       0.8087155     4.332560       0.7908115     251.5071 23.77481 244.0733 23.99708 -0.000000      0.000000 
1 1 1 0  8  37  f 77.69336 21.34174 0.5067503      0.1979764     0.5571457      0.2738250     0.4515540      0.2865717     77.06613 27.99152 66.35113 29.53069 0.000000       0.000000 
1 1 1 0  8  38  o 88.43300 20.93938 0.6302716      0.2219980     0.6544538      0.3213268     0.6081885      0.3070638     83.33886 30.34078 79.92485 29.85604 -0.000000      0.000000 
1 1 1 0  8  39  o 408.7602 16.81712 11.73401       0.9455489     11.83352       1.347953      11.63760       1.326716      406.8588 24.18923 403.5488 24.00360 -0.000000      0.000000 
1 1 1 0  8  40  o 103.9532 19.40823 0.8292140      0.2501146     0.8233927      0.3613661     0.8345672      0.3465309     95.74516 30.93600 97.72089 29.45346 -0.000000      0.000000 
1 1 1 0  8  41  o 205.8223 16.64413 3.014483       0.4659168     2.985129       0.6524876     3.045021       0.6655174     201.3704 24.42216 203.3324 24.67064 0.000000       0.000000 
1 1 1 0  8  42  o 233.0587 16.60677 3.848085       0.5281932     4.023421       0.7555873     3.680519       0.7386565     235.3119 23.81340 224.3931 24.59108 -0.000000      0.000000 
1 1 1 0  8  43  o 264.8211 16.59225 4.951200       0.6012715     5.022514       0.8446369     4.877933       0.8561321     263.7893 23.62440 259.5035 24.38733 0.000000       0.000000 
1 1 1 0  8  44  o 247.9042 16.63420 4.345512       0.5635243     4.208613       0.7882886     4.488593       0.8058903     240.6643 24.28837 248.9222 23.95586 0.000000       0.000000 
1 1 1 0  8  45  o 120.4424 18.65151 1.082762       0.2880447     1.217196       0.4175349     0.9606812      0.3978883     122.7906 28.29017 104.8067 31.53942 -0.000000      0.000000 
1 1 1 0  8  46  o 283.4039 16.68975 5.662210       0.6479362     5.659073       0.9248412     5.665234       0.9080303     280.0866 24.33579 280.4839 23.84153 -0.000000      0.000000 
1 1 1 0  8  47  f 72.19962 22.78336 0.4584281      0.1996407     0.4491176      0.2898467     0.4668322      0.2753780     66.17102 29.70337 68.31184 28.87745 -0.000000      0.000000 
1 1 1 0  8  48  o 45.71667 21.27280 0.2139089      0.1491548     0.3277303      0.2034031     0.8151054E-01  0.2193748     57.05894 24.87001 36.74659 22.52536 0.000000       0.000000 
1 1 1 0  8  49  f 123.8314 18.50983 1.139722       0.2956632     1.074162       0.4111092     1.209961       0.4255250     112.7862 30.54054 121.8047 29.16554 0.000000       0.000000 
1 1 1 0  8  50  o 265.2818 16.72361 4.969263       0.6070171     5.028686       0.8662741     4.911938       0.8508376     263.6792 24.26499 260.5990 24.11978 -0.000000      0.000000 
1 1 1 0  8  51  o 279.7617 16.73449 5.521309       0.6411591     5.778750       0.9034932     5.260138       0.9100139     283.4410 23.45418 269.4245 24.95293 0.000000       0.000000 
1 1 1 0  8  52  o 304.6068 16.75594 6.536823       0.6998934     6.137122       0.9772516     6.957731       1.002842      291.5823 24.67883 311.3583 23.63898 0.000000       0.000000 
1 1 1 0  8  53  o 126.3252 30.22273 1.305422       0.4573426     0.000000       0.000000      1.305422       0.4573426     126.3252 30.22273 126.3252 30.22273 0.000000       0.000000 
1 1 1 0  8  54  o 242.0074 25.00649 4.277304       0.8152047     0.000000       0.000000      4.277304       0.8152047     242.0074 25.00649 242.0074 25.00649 0.000000       0.000000 
1 1 1 0  8  55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  56  o 209.4190 24.62165 3.231770       0.6861988     3.231770       0.6861988     0.000000       0.000000      209.4190 24.62165 209.4190 24.62165 0.000000       0.000000 
1 1 1 0  8  57  o 171.3369 14.25069 2.087973       0.3317850     1.569682       0.3978878     3.270852       0.6010956     144.9975 21.19761 212.4813 20.95502 0.000000       0.000000 
1 1 1 0  8  58  o 194.2071 13.76499 2.667592       0.3648698     2.639794       0.6444318     2.680708       0.4426550     187.3163 26.42992 193.5411 16.85779 -0.000000      0.000000 
1 1 1 0  8  59  o 129.8319 14.36934 1.217934       0.2495437     1.211464       0.2995595     1.232605       0.4510753     127.8798 17.98707 121.0947 31.21206 0.000000       0.000000 
1 1 1 0  8  60  o 75.13847 18.23602 0.4576221      0.1639721     0.4092399      0.1927672     0.5842578      0.3118662     66.78605 23.16359 77.05434 30.45881 0.000000       0.000000 
1 1 1 0  8  61  o 135.5794 14.28061 1.325103       0.2605620     1.410106       0.3125165     1.131274       0.4719165     138.8437 16.98008 112.0612 34.81374 0.000000       0.000000 
1 1 1 0  8  62  o 144.7226 14.14019 1.503612       0.2763799     1.607840       0.3316732     1.266814       0.4999307     148.7234 16.69073 119.8808 34.79776 0.000000       0.000000 
1 1 1 0  8  63  o 109.9338 15.53498 0.8939680      0.2222512     1.244151       0.4189109     0.7567852      0.2621948     123.6058 28.16373 96.66284 22.59920 -0.000000      0.000000 
1 1 1 0  8  64  o 104.8288 15.70220 0.8182886      0.2122581     0.5978351      0.4073772     0.9004390      0.2486812     74.42616 35.10802 109.1410 17.96421 -0.000000      0.000000 
1 1 1 0  8  65  o 65.01187 18.90143 0.3618024      0.1472851     0.1108597      0.3202198     0.4291347      0.1658718     43.35335 26.86737 71.53086 19.42772 -0.000000      0.000000 
1 1 1 0  8  66  o 312.7933 13.81057 6.876743       0.5938491     7.283038       1.070752      6.696253       0.7136660     315.8503 24.90728 307.2597 16.93866 -0.000000      0.000000 
1 1 1 0  8  67  o 68.87188 19.15128 0.4005969      0.1575521     0.3176928      0.3292298     0.4252219      0.1794317     55.14823 30.19777 69.72669 21.32681 -0.000000      0.000000 
1 1 1 0  8  68  o 79.18996 19.17624 0.5099297      0.1817511     0.7848050      0.3693011     0.4220720      0.2087867     90.93745 32.29305 66.83591 24.50056 -0.000000      0.000000 
1 1 1 0  8  69  o 60.80637 19.88018 0.3307335      0.1478808     0.5567963E-01  0.3219987     0.4042546      0.1664758     40.93859 26.03118 68.40707 20.26300 -0.000000      0.000000 
1 1 1 0  8  70  o 267.5096 13.89135 5.045031       0.5099642     4.578407       0.9136847     5.256166       0.6146024     247.0865 27.67017 271.9556 16.50586 -0.000000      0.000000 
1 1 1 0  8  71  o 315.0646 13.91796 6.984872       0.6028096     6.841923       0.7244830     7.306520       1.086744      310.3548 17.02270 315.6205 25.31027 0.000000       0.000000 
1 1 1 0  8  72  o 166.8680 14.42158 1.992353       0.3265852     2.125461       0.3884906     1.671641       0.6030266     171.4423 16.77956 139.0026 36.36068 0.000000       0.000000 
1 1 1 0  8  73  o 187.9753 14.15725 2.514698       0.3626740     2.647681       0.4334482     2.204259       0.6622567     191.8949 16.64639 165.2302 32.64989 0.000000       0.000000 
1 1 1 0  8  74  o 80.89603 18.39692 0.5243282      0.1791242     0.6173749      0.2052089     0.2265358      0.3671156     88.07636 19.26884 50.71419 30.11005 0.000000       0.000000 
1 1 1 0  8  75  o 43.03657 19.44738 0.1894075      0.1242725     0.2136215      0.1358128     0.6481832E-01  0.3080692     45.80773 20.32851 40.51171 25.63546 0.000000       0.000000 
1 1 1 0  8  76  o 6.352384 4.649655 -0.6562781E-01 0.2577329E-01 -0.2854755     0.2740884     -0.6366654E-01 0.2588799E-01 27.06549 19.01734 6.452224 4.715974 -0.000000      0.000000 
1 1 1 0  8  77  o 44.92417 21.88869 0.2119899      0.1598088     0.1487786      0.1732066     0.5738128      0.4143956     38.83716 21.67093 71.98579 35.21757 0.000000       0.000000 
1 1 1 0  8  78  o 47.47877 19.83317 0.2241939      0.1301551     -0.1242718     0.3880635     0.2683615      0.1381575     38.28886 25.75186 53.04314 20.09874 -0.000000      0.000000 
1 1 1 0  8  79  f 69.42933 26.86921 0.4725151      0.2447653     0.4117805      0.2860972     0.6383470      0.4727482     61.82617 29.39218 74.99517 37.45679 0.000000       0.000000 
1 1 1 0  8  80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  81  o 63.49107 31.37261 0.4468905      0.3302000     0.000000       0.000000      0.4468905      0.3302000     63.49107 31.37261 63.49107 31.37261 -0.000000      0.000000 
1 1 1 0  8  82  o 111.9944 20.33836 0.9775261      0.2837751     0.9775261      0.2837751     0.000000       0.000000      111.9944 20.33836 111.9944 20.33836 0.000000       0.000000 
1 1 1 0  8  83  o 37.87489 19.55858 0.1517056      0.1313449     -0.2340995E-01 0.4173693     0.1709543      0.1383755     42.09398 27.79082 40.09734 20.21431 -0.000000      0.000000 
1 1 1 0  8  84  o 49.82463 18.59031 0.2369882      0.1191230     0.2887914      0.1245194     -0.3221130     0.4090759     56.90776 18.01623 34.15471 23.83060 0.000000       0.000000 
1 1 1 0  8  85  o 165.6172 15.11765 1.999565       0.3390993     0.3386261      0.6609245     2.593006       0.3950604     60.22844 37.87580 188.9307 15.37777 -0.000000      0.000000 
1 1 1 0  8  86  o 49.45736 23.02352 0.2640483      0.1747235     0.2694258      0.1876774     0.2290782      0.4785947     49.60052 23.78018 51.81756 32.43609 0.000000       0.000000 
1 1 1 0  8  87  o 54.40511 23.50458 0.3122733      0.1817856     0.3585334      0.1965520     0.3863892E-01  0.4780345     58.71976 24.35688 45.24133 29.82688 0.000000       0.000000 
1 1 1 0  8  88  o 22.01497 14.79775 -0.4322176E-01 0.1277757     -0.8397643E-01 0.1356118     0.2791660      0.3814153     20.99452 14.41979 50.79401 30.43001 0.000000       0.000000 
1 1 1 0  8  89  o 37.72283 21.07810 0.1517165      0.1641107     0.5897149E-02  0.4299808     0.1765802      0.1775516     41.87685 27.83245 40.16991 22.11051 -0.000000      0.000000 
1 1 1 0  8  90  o 20.82087 13.89100 -0.2806243E-01 0.1089111     -0.2806243E-01 0.1089111     0.000000       0.000000      20.82087 13.89100 20.82087 13.89100 0.000000       0.000000 
1 1 1 0  8  91  o 22.01731 14.57246 -0.1905752E-01 0.1159248     -0.1905752E-01 0.1159248     0.000000       0.000000      22.01731 14.57246 22.01731 14.57246 0.000000       0.000000 
1 1 1 0  8  92  o 74.20512 26.13632 0.5475230      0.2431150     0.000000       0.000000      0.5475230      0.2431150     74.20512 26.13632 74.20512 26.13632 -0.000000      0.000000 
1 1 1 0  8  93  o 77.34927 20.14331 0.5172852      0.1859087     0.7186809      0.2912260     0.3787662      0.2415236     85.97910 27.76647 57.10181 27.02157 -0.000000      0.000000 
1 1 1 0  8  94  o 16.34375 11.34517 -0.7230489E-01 0.8957792E-01 -0.9839568E-01 0.1126903     -0.2752145E-01 0.1476392     17.95807 12.52475 24.44471 16.26623 -0.000000      0.000000 
1 1 1 0  8  95  o 72.29078 21.82343 0.4774097      0.1899877     0.6143324      0.2915776     0.3763867      0.2504533     75.87629 29.31665 56.42957 27.41796 -0.000000      0.000000 
1 1 1 0  8  96  o 237.3363 14.57102 4.121074       0.4733968     4.236795       0.5931832     3.918088       0.7856223     236.8026 18.39649 216.8576 27.43062 0.000000       0.000000 
1 1 1 0  8  97  o 230.9046 14.70831 3.908042       0.4645946     3.991547       0.5828465     3.762523       0.7694129     229.3832 18.68687 212.1932 27.54001 0.000000       0.000000 
1 1 1 0  8  98  o 165.2606 15.53279 2.039648       0.3472560     2.177696       0.5645992     1.955652       0.4404068     158.8629 28.45575 156.6415 21.51538 -0.000000      0.000000 
1 1 1 0  8  99  o 210.9515 14.87109 3.284877       0.4282301     2.761104       0.7039914     3.592510       0.5395257     174.5503 32.52119 217.2577 18.28238 -0.000000      0.000000 
1 1 1 0  8  100 o 71.96356 22.64264 0.4876302      0.1976350     0.3559813      0.2567016     0.6792433      0.3096939     53.70562 27.42903 79.05005 30.12990 0.000000       0.000000 
1 1 1 0  8  101 o 91.12502 25.26120 0.7721533      0.2749327     0.7160053      0.3725822     0.8392757      0.4073696     75.32214 33.67457 81.91163 35.16779 -0.000000      0.000000 
1 1 1 0  8  102 o 42.98906 25.05801 0.2260917      0.2462656     0.000000       0.000000      0.2260917      0.2462656     42.98906 25.05801 42.98906 25.05801 0.000000       0.000000 
1 1 1 0  8  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  0   o 386.2506 23.78541 10.54788       1.257558      0.000000       0.000000      10.54788       1.257558      386.2506 23.78541 386.2506 23.78541 0.000000       0.000000 
1 1 1 0  9  1   f 326.5983 16.57306 7.512566       0.7430107     6.719186       1.033746      8.360469       1.068676      304.8008 24.94621 341.7458 22.88213 -0.000000      0.000000 
1 1 1 0  9  2   o 248.1783 16.60616 4.361897       0.5632297     3.338126       0.7763086     5.499729       0.8184124     211.1985 27.99176 276.8456 21.71636 -0.000000      0.000000 
1 1 1 0  9  3   o 248.6210 23.61626 4.486850       0.7939433     0.000000       0.000000      4.486850       0.7939433     248.6210 23.61626 248.6210 23.61626 0.000000       0.000000 
1 1 1 0  9  4   o 226.6293 23.70552 3.748318       0.7232496     0.000000       0.000000      3.748318       0.7232496     226.6293 23.70552 226.6293 23.70552 0.000000       0.000000 
1 1 1 0  9  5   o 414.2485 23.96998 12.27535       1.360587      12.27535       1.360587      0.000000       0.000000      414.2485 23.96998 414.2485 23.96998 -0.000000      0.000000 
1 1 1 0  9  6   f 394.2529 23.94916 11.12891       1.292756      11.12891       1.292756      0.000000       0.000000      394.2529 23.94916 394.2529 23.94916 -0.000000      0.000000 
1 1 1 0  9  7   o 503.6199 24.60085 18.12075       1.701459      0.000000       0.000000      18.12075       1.701459      503.6199 24.60085 503.6199 24.60085 0.000000       0.000000 
1 1 1 0  9  8   o 568.8029 25.08926 23.11316       1.961826      0.000000       0.000000      23.11316       1.961826      568.8029 25.08926 568.8029 25.08926 0.000000       0.000000 
1 1 1 0  9  9   o 594.1359 17.75736 24.79147       1.453863      25.19342       2.050576      24.38518       2.061613      593.9631 25.10419 583.8553 25.68508 -0.000000      0.000000 
1 1 1 0  9  10  o 524.2258 17.36655 19.29989       1.253974      21.05272       1.817873      17.70873       1.732016      543.2458 24.34553 497.2632 25.37561 0.000000       0.000000 
1 1 1 0  9  11  o 468.9761 17.00188 15.44674       1.097713      15.66883       1.555363      15.22634       1.549456      468.3151 24.19976 461.4267 24.47589 -0.000000      0.000000 
1 1 1 0  9  12  o 249.6610 16.39391 4.411309       0.5595690     4.275882       0.7899307     4.547713       0.7927770     242.2454 24.16717 250.4316 23.39501 -0.000000      0.000000 
1 1 1 0  9  13  f 237.9919 16.38253 4.013291       0.5325127     4.034815       0.7546223     3.991942       0.7515603     235.3333 23.77911 234.0212 23.82381 -0.000000      0.000000 
1 1 1 0  9  14  o 228.6342 16.40201 3.708143       0.5116936     3.564900       0.7242568     3.850903       0.7230328     220.4109 24.57917 230.0006 23.31549 -0.000000      0.000000 
1 1 1 0  9  15  f 276.4050 16.35435 5.393723       0.6191878     5.780015       0.8743343     5.005072       0.8769993     283.4501 22.67266 262.3452 24.71357 0.000000       0.000000 
1 1 1 0  9  16  o 455.5058 16.91795 14.57050       1.060762      13.59274       1.489011      15.57806       1.511530      435.5483 24.94566 467.4360 23.55485 -0.000000      0.000000 
1 1 1 0  9  17  o 459.0203 16.96490 14.79529       1.071946      14.02380       1.508137      15.58300       1.523906      442.5620 24.85841 467.4301 23.75034 -0.000000      0.000000 
1 1 1 0  9  18  o 670.1821 18.12327 31.53439       1.674360      31.85500       2.386285      31.22347       2.349938      667.7776 25.96848 661.2171 25.82747 -0.000000      0.000000 
1 1 1 0  9  19  o 585.9902 17.64564 24.10054       1.424865      25.83176       2.065146      22.52764       1.968455      601.9082 24.94489 561.4850 25.50911 -0.000000      0.000000 
1 1 1 0  9  20  o 245.4702 16.47580 4.265096       0.5526744     4.234238       0.7858847     4.295290       0.7773839     241.1673 24.15527 243.1987 23.66358 -0.000000      0.000000 
1 1 1 0  9  21  o 186.5733 16.64346 2.488408       0.4209290     2.315376       0.5975627     2.658826       0.5930302     175.1478 26.50415 189.8977 23.59803 -0.000000      0.000000 
1 1 1 0  9  22  o 268.2607 16.81133 5.086950       0.6171204     7.487682       0.8985553     2.943568       0.8490294     324.6259 20.22575 193.5627 35.22006 0.000000       0.000000 
1 1 1 0  9  23  o 517.6710 17.24737 18.80092       1.229762      20.06599       1.775047      17.63326       1.705339      530.7523 24.33685 496.9074 24.99840 -0.000000      0.000000 
1 1 1 0  9  24  o 267.1195 16.43772 5.038349       0.6010362     5.131657       0.8457941     4.943166       0.8542561     266.6162 23.38818 261.1775 24.16262 0.000000       0.000000 
1 1 1 0  9  25  o 361.5561 16.59256 9.187376       0.8244017     8.924582       1.168190      9.448101       1.163583      352.7743 24.24456 363.5596 23.40076 -0.000000      0.000000 
1 1 1 0  9  26  o 271.9321 16.43704 5.218441       0.6120298     5.079082       0.8580685     5.362763       0.8732119     265.0214 23.89452 272.6302 23.60267 0.000000       0.000000 
1 1 1 0  9  27  o 226.6995 16.47673 3.643268       0.5095128     3.566896       0.7144317     3.722319       0.7268485     220.9592 24.14902 225.9794 23.90561 0.000000       0.000000 
1 1 1 0  9  28  f 133.1245 17.63054 1.300593       0.3082348     1.778396       0.4349881     0.8187189      0.4368373     154.9129 21.52244 91.14725 36.05335 0.000000       0.000000 
1 1 1 0  9  29  o 298.0949 16.51013 6.258137       0.6748179     6.062624       0.9450397     6.461537       0.9639135     290.1782 23.96152 299.9219 23.61172 0.000000       0.000000 
1 1 1 0  9  30  o 318.0323 16.58120 7.115931       0.7236381     6.617725       1.022812      7.615241       1.023947      303.0117 24.82900 326.3730 22.98266 -0.000000      0.000000 
1 1 1 0  9  31  o 331.4003 16.61747 7.721650       0.7560618     7.736781       1.076629      7.706926       1.061987      328.5227 24.02900 328.0275 23.73156 -0.000000      0.000000 
1 1 1 0  9  32  o 371.5268 16.74980 9.691897       0.8553098     9.179460       1.193066      10.23374       1.226822      358.1195 24.38633 378.7522 23.66973 0.000000       0.000000 
1 1 1 0  9  33  o 385.5782 16.80291 10.43501       0.8907468     10.90808       1.276819      9.986470       1.243264      391.0930 23.84657 373.7786 24.32487 -0.000000      0.000000 
1 1 1 0  9  34  o 169.2624 16.96279 2.058171       0.3873245     1.953990       0.5400901     2.168486       0.5557655     160.2231 26.62199 170.0450 25.32270 0.000000       0.000000 
1 1 1 0  9  35  o 214.5477 16.68998 3.268754       0.4875631     3.001531       0.6950771     3.527596       0.6840909     201.1660 26.26132 220.3743 23.05883 -0.000000      0.000000 
1 1 1 0  9  36  o 40.17003 19.79762 0.1662609      0.1313530     0.1690471      0.1778846     0.1629200      0.1947861     41.15009 22.30786 41.15508 22.97521 0.000000       0.000000 
1 1 1 0  9  37  o 130.5228 17.81836 1.253299       0.3041858     1.162298       0.4366859     1.339075       0.4239635     117.7170 31.09580 130.6190 26.56221 -0.000000      0.000000 
1 1 1 0  9  38  o 167.1331 16.98948 2.008393       0.3827986     2.115504       0.5502347     1.907925       0.5328994     167.7416 25.50341 158.1655 26.68025 -0.000000      0.000000 
1 1 1 0  9  39  o 299.9204 16.60610 6.333426       0.6829000     6.219324       0.9546199     6.453018       0.9773126     294.1328 23.86587 299.6555 23.97258 0.000000       0.000000 
1 1 1 0  9  40  o 262.8906 16.58791 4.879399       0.5966543     4.603144       0.8313951     5.172774       0.8567700     251.9182 24.42808 267.8458 23.58618 0.000000       0.000000 
1 1 1 0  9  41  o 204.7480 16.72844 2.983373       0.4656844     2.776995       0.6481057     3.203649       0.6695734     193.4803 25.48791 209.1834 23.99968 0.000000       0.000000 
1 1 1 0  9  42  o 200.7132 16.79937 2.870393       0.4580894     3.091518       0.6411344     2.639775       0.6547526     205.6357 23.35738 187.6563 26.86434 0.000000       0.000000 
1 1 1 0  9  43  o 200.1910 25.36843 2.965432       0.6705878     0.000000       0.000000      2.965432       0.6705878     200.1910 25.36843 200.1910 25.36843 0.000000       0.000000 
1 1 1 0  9  44  o 174.2638 26.33521 2.289668       0.5908955     0.000000       0.000000      2.289668       0.5908955     174.2638 26.33521 174.2638 26.33521 0.000000       0.000000 
1 1 1 0  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  46  o 340.7958 23.91268 8.341036       1.112554      8.341036       1.112554      0.000000       0.000000      340.7958 23.91268 340.7958 23.91268 0.000000       0.000000 
1 1 1 0  9  47  o 215.7884 24.30053 3.418970       0.7004447     0.000000       0.000000      3.418970       0.7004447     215.7884 24.30053 215.7884 24.30053 -0.000000      0.000000 
1 1 1 0  9  48  o 264.9674 16.80740 4.970531       0.6092649     4.786863       0.8473169     5.167155       0.8766953     256.3904 24.44390 266.7206 24.26607 0.000000       0.000000 
1 1 1 0  9  49  f 233.0793 16.84906 3.861054       0.5357603     3.935477       0.7484847     3.782859       0.7672215     232.0243 23.94633 226.6159 25.32929 0.000000       0.000000 
1 1 1 0  9  50  o 179.4706 17.30479 2.318290       0.4196863     2.698268       0.6097733     1.976275       0.5785119     190.6456 24.23054 159.0273 29.26817 -0.000000      0.000000 
1 1 1 0  9  51  o 437.1435 17.21583 13.46423       1.035517      14.50184       1.471310      12.44577       1.457669      449.6859 23.84822 415.0714 25.65769 0.000000       0.000000 
1 1 1 0  9  52  o 95.19254 21.25752 0.7236084      0.2440573     0.3305816      0.3540606     1.079414       0.3368783     56.63852 31.20570 117.3162 23.43308 -0.000000      0.000000 
1 1 1 0  9  53  o 134.5109 18.42848 1.339843       0.3240449     1.412116       0.4706997     1.274730       0.4467734     131.7675 29.64397 124.0689 30.09028 -0.000000      0.000000 
1 1 1 0  9  54  o 257.2734 16.96627 4.706200       0.5967111     4.230700       0.8482151     5.172094       0.8396047     238.6069 26.58943 266.6478 23.20778 -0.000000      0.000000 
1 1 1 0  9  55  o 299.3911 16.96684 6.354958       0.6962669     5.980369       0.9688269     6.755093       1.001317      285.9417 24.97585 304.7930 24.14020 0.000000       0.000000 
1 1 1 0  9  56  o 272.4855 16.98829 5.276067       0.6334973     5.585698       0.9129836     4.988574       0.8797418     276.4445 24.35225 260.5331 24.98182 -0.000000      0.000000 
1 1 1 0  9  57  o 88.68773 22.50564 0.6503990      0.2383056     0.4864271      0.3558762     0.7836959      0.3208664     67.12550 32.67120 94.43553 28.25136 -0.000000      0.000000 
1 1 1 0  9  58  o 60.53442 24.33382 0.3600329      0.1979675     0.5694367      0.3060245     0.2093388      0.2596044     75.74380 30.22146 46.39076 26.27489 -0.000000      0.000000 
1 1 1 0  9  59  o 149.9719 18.20506 1.650928       0.3622027     1.568069       0.4962579     1.745387       0.5298551     139.6655 29.20248 148.1670 29.10085 0.000000       0.000000 
1 1 1 0  9  60  o 99.12751 21.90674 0.7861010      0.2622395     0.4486201      0.3947440     1.052701       0.3508497     64.20815 33.69912 114.1861 25.47291 -0.000000      0.000000 
1 1 1 0  9  61  o 64.37521 24.34090 0.3966852      0.2028493     0.4015719      0.2659170     0.3898838      0.3137171     61.85633 28.42258 60.14062 30.41011 0.000000       0.000000 
1 1 1 0  9  62  o 27.60215 16.01113 0.6603193E-01  0.9979637E-01 0.1782553      0.1160819     -0.2518758     0.1953771     41.85596 18.79782 21.76615 15.44096 0.000000       0.000000 
1 1 1 0  9  63  o 273.3750 13.72912 5.264236       0.5152682     5.745268       0.6271873     4.265393       0.9037719     284.6669 16.07313 237.5689 28.65616 0.000000       0.000000 
1 1 1 0  9  64  o 58.61626 19.53872 0.3096497      0.1409043     0.2197933      0.3008884     0.3348904      0.1594711     48.24963 27.88270 60.24643 21.14527 -0.000000      0.000000 
1 1 1 0  9  65  o 87.31227 17.45224 0.5940223      0.1867080     0.5191243      0.3710007     0.6194251      0.2160627     69.07876 33.39918 87.41482 20.60903 -0.000000      0.000000 
1 1 1 0  9  66  o 142.1233 14.44524 1.456892       0.2767710     1.683867       0.3283335     0.8996345      0.5144623     152.4163 16.00462 91.97011 39.52407 0.000000       0.000000 
1 1 1 0  9  67  o 159.6375 14.37230 1.826845       0.3109048     1.845952       0.3693156     1.780362       0.5760414     159.1817 17.32241 147.1276 32.40828 0.000000       0.000000 
1 1 1 0  9  68  o 24.00186 14.19750 0.4553080E-01  0.8108901E-01 0.4685098E-01  0.8542815E-01 0.3351657E-01  0.2577103     24.50654 14.53660 36.25471 23.14489 0.000000       0.000000 
1 1 1 0  9  69  o 68.11860 20.52166 0.4039733      0.1682934     0.5743424      0.3569789     0.3552875      0.1908306     73.60381 32.96289 60.28826 23.82478 -0.000000      0.000000 
1 1 1 0  9  70  o 191.5584 14.33503 2.613742       0.3742916     3.447177       0.7045377     2.286023       0.4417933     214.9352 24.56876 176.9883 18.54332 -0.000000      0.000000 
1 1 1 0  9  71  o 37.35832 16.96888 0.1423616      0.9466670E-01 -0.1453300     0.2977861     0.1747047      0.9984637E-01 32.28178 21.95360 42.17208 17.33787 -0.000000      0.000000 
1 1 1 0  9  72  f 45.73981 20.34451 0.2136571      0.1360160     0.2657041      0.3287047     0.2029041      0.1494072     51.53695 29.41558 44.00385 21.20400 -0.000000      0.000000 
1 1 1 0  9  73  o 21.27114 11.82871 0.4318484E-01  0.5140750E-01 -0.1332496     0.2746781     0.4958917E-01  0.5233220E-01 31.02755 21.09611 22.37627 12.10939 -0.000000      0.000000 
1 1 1 0  9  74  o 28.99666 20.06385 -0.2033093     0.2744941     0.000000       0.000000      -0.2033093     0.2744941     28.99666 20.06385 28.99666 20.06385 0.000000       0.000000 
1 1 1 0  9  75  o 13.22439 9.579953 -0.1864868     0.9384943E-01 -0.1864868     0.9384943E-01 0.000000       0.000000      13.22439 9.579953 13.22439 9.579953 0.000000       0.000000 
1 1 1 0  9  76  o 21.48009 9.304460 0.4582109E-01  0.2847635E-01 0.000000       0.000000      0.4582109E-01  0.2847635E-01 21.48009 9.304460 21.48009 9.304460 -0.000000      0.000000 
1 1 1 0  9  77  o 24.92271 15.11050 0.4301165E-01  0.9632545E-01 -0.1524969E-01 0.3234523     0.4868154E-01  0.1009038     37.62701 24.71322 25.82559 15.56110 -0.000000      0.000000 
1 1 1 0  9  78  o 68.50160 19.10742 0.4018563      0.1563659     -0.1090078     0.3755353     0.5090029      0.1719837     37.38205 25.19851 79.29868 18.01764 -0.000000      0.000000 
1 1 1 0  9  79  o 27.80358 16.79613 0.5733486E-01  0.1181619     0.2972158E-01  0.1259476     0.2601905      0.3413695     26.29119 16.53388 50.21057 29.39756 0.000000       0.000000 
1 1 1 0  9  80  o 31.44245 17.65174 0.9823178E-01  0.1157892     -0.4914767E-01 0.3438659     0.1170796      0.1229704     37.10289 24.73151 33.67771 18.45023 -0.000000      0.000000 
1 1 1 0  9  81  o 105.0273 17.91334 0.8585092      0.2370951     0.9600574      0.2725951     0.5430216      0.4804775     110.2124 19.81742 65.50469 36.25746 0.000000       0.000000 
1 1 1 0  9  82  o 50.31134 4.958230 0.1805353      0.3367759E-01 0.1864690      0.3387571E-01 -0.3222922     0.3118415     51.17419 4.897020 28.10370 19.85404 0.000000       0.000000 
1 1 1 0  9  83  o 132.7916 15.90297 1.323942       0.2805381     0.3421235      0.5542780     1.662073       0.3252782     56.21242 35.06195 149.0507 16.30022 -0.000000      0.000000 
1 1 1 0  9  84  o 53.51901 24.27321 0.3145715      0.1936765     0.3145715      0.1936765     0.000000       0.000000      53.51901 24.27321 53.51901 24.27321 0.000000       0.000000 
1 1 1 0  9  85  o 138.1230 19.42787 1.487187       0.3494717     0.000000       0.000000      1.487187       0.3494717     138.1230 19.42787 138.1230 19.42787 -0.000000      0.000000 
1 1 1 0  9  86  o 140.2842 19.76808 1.541390       0.3610505     0.000000       0.000000      1.541390       0.3610505     140.2842 19.76808 140.2842 19.76808 -0.000000      0.000000 
1 1 1 0  9  87  o 80.84198 25.36234 0.6171215      0.2485313     0.000000       0.000000      0.6171215      0.2485313     80.84198 25.36234 80.84198 25.36234 -0.000000      0.000000 
1 1 1 0  9  88  o 50.79198 23.63317 0.2884989      0.1840898     0.000000       0.000000      0.2884989      0.1840898     50.79198 23.63317 50.79198 23.63317 -0.000000      0.000000 
1 1 1 0  9  89  o 177.8280 18.49260 2.418833       0.4428400     2.418833       0.4428400     0.000000       0.000000      177.8280 18.49260 177.8280 18.49260 0.000000       0.000000 
1 1 1 0  9  90  o 87.84382 25.61270 0.7133520      0.2697432     0.7133520      0.2697432     0.000000       0.000000      87.84382 25.61270 87.84382 25.61270 0.000000       0.000000 
1 1 1 0  9  91  o 106.8866 23.51413 0.9713064      0.3036868     0.000000       0.000000      0.9713064      0.3036868     106.8866 23.51413 106.8866 23.51413 -0.000000      0.000000 
1 1 1 0  9  92  o 182.3331 18.99511 2.551955       0.4663560     2.551955       0.4663560     0.000000       0.000000      182.3331 18.99511 182.3331 18.99511 0.000000       0.000000 
1 1 1 0  9  93  o 121.4207 22.83405 1.220868       0.3432612     1.220868       0.3432612     0.000000       0.000000      121.4207 22.83405 121.4207 22.83405 0.000000       0.000000 
1 1 1 0  9  94  o 277.3593 18.10378 5.802323       0.6865697     0.000000       0.000000      5.802323       0.6865697     277.3593 18.10378 277.3593 18.10378 -0.000000      0.000000 
1 1 1 0  9  95  o 29.10921 18.19494 0.5399277E-01  0.1500523     0.000000       0.000000      0.5399277E-01  0.1500523     29.10921 18.19494 29.10921 18.19494 -0.000000      0.000000 
1 1 1 0  9  96  o 59.52094 26.55385 0.4092019      0.2316888     -0.2589090     0.4070002     0.7295035      0.2818057     33.39130 23.40049 86.48475 26.92517 -0.000000      0.000000 
1 1 1 0  9  97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 2   o 468.5355 24.31388 15.62374       1.563351      0.000000       0.000000      15.62374       1.563351      468.5355 24.31388 468.5355 24.31388 0.000000       0.000000 
1 1 1 0  10 3   o 338.6105 23.59226 8.198861       1.090785      0.000000       0.000000      8.198861       1.090785      338.6105 23.59226 338.6105 23.59226 0.000000       0.000000 
1 1 1 0  10 4   o 418.2220 23.98887 12.46164       1.374907      0.000000       0.000000      12.46164       1.374907      418.2220 23.98887 418.2220 23.98887 0.000000       0.000000 
1 1 1 0  10 5   o 336.8350 23.78298 8.118475       1.093501      8.118475       1.093501      0.000000       0.000000      336.8350 23.78298 336.8350 23.78298 -0.000000      0.000000 
1 1 1 0  10 6   o 250.8822 23.88882 4.555176       0.8103284     4.555176       0.8103284     0.000000       0.000000      250.8822 23.88882 250.8822 23.88882 -0.000000      0.000000 
1 1 1 0  10 7   o 198.8199 24.57192 2.910730       0.6469077     0.000000       0.000000      2.910730       0.6469077     198.8199 24.57192 198.8199 24.57192 0.000000       0.000000 
1 1 1 0  10 8   o 314.6657 23.84944 7.100390       1.022565      0.000000       0.000000      7.100390       1.022565      314.6657 23.84944 314.6657 23.84944 0.000000       0.000000 
1 1 1 0  10 9   o 101.9906 29.70845 0.8972144      0.3632331     0.8972144      0.3632331     0.000000       0.000000      101.9906 29.70845 101.9906 29.70845 -0.000000      0.000000 
1 1 1 0  10 10  o 80.58099 21.61994 0.5406520      0.2078846     0.5146198      0.2995633     0.5648342      0.2887228     71.77965 30.09848 77.04625 29.00851 0.000000       0.000000 
1 1 1 0  10 11  f 116.5818 18.64525 1.018327       0.2771344     0.6913572      0.3850448     1.369766       0.3991925     83.43211 34.00500 133.7695 23.87796 -0.000000      0.000000 
1 1 1 0  10 12  o 230.3113 16.70299 3.758280       0.5247665     2.713923       0.7263787     4.898414       0.7589564     188.7045 30.19432 261.5759 21.33940 -0.000000      0.000000 
1 1 1 0  10 13  o 409.3945 16.81418 11.75547       0.9468637     11.64659       1.338345      11.86458       1.339791      404.1196 24.18221 408.0351 23.96875 0.000000       0.000000 
1 1 1 0  10 14  f 379.8519 16.70666 10.12601       0.8724204     10.98618       1.250161      9.309471       1.218043      392.8652 23.23138 360.5625 24.73211 -0.000000      0.000000 
1 1 1 0  10 15  o 304.2224 16.57241 6.513458       0.6914481     5.466175       0.9653463     7.616840       0.9908634     274.3578 26.01933 326.9002 22.18590 -0.000000      0.000000 
1 1 1 0  10 16  f 411.4256 16.81191 11.87184       0.9514701     10.88445       1.331843      12.90105       1.359756      390.1207 24.95807 426.0180 23.27381 -0.000000      0.000000 
1 1 1 0  10 17  o 354.3603 16.78550 8.821201       0.8171296     11.14707       1.186548      6.723129       1.126946      396.4572 21.82580 304.2758 27.32944 0.000000       0.000000 
1 1 1 0  10 18  o 427.3102 16.83548 12.80198       0.9898578     12.87403       1.390860      12.72803       1.409058      425.2682 23.85719 422.5720 24.33311 0.000000       0.000000 
1 1 1 0  10 19  o 339.6492 16.74838 8.108240       0.7811353     10.06584       1.126953      6.298023       1.083701      376.5478 21.84262 294.3401 27.19761 0.000000       0.000000 
1 1 1 0  10 20  o 523.2944 17.35341 19.18826       1.250793      17.60138       1.723956      20.95207       1.817527      496.9689 25.27141 543.1126 24.34694 0.000000       0.000000 
1 1 1 0  10 21  o 248.1067 16.57138 4.350963       0.5619093     4.794507       0.7947275     3.907570       0.7945918     258.1176 22.70178 230.9872 25.72937 0.000000       0.000000 
1 1 1 0  10 22  o 275.7141 16.58438 5.360490       0.6261563     6.043848       0.9006297     4.721147       0.8711439     290.4036 22.78233 254.8030 25.33440 -0.000000      0.000000 
1 1 1 0  10 23  o 83.59747 21.17290 0.5723839      0.2113385     0.4440495      0.3025652     0.6946473      0.2953220     65.41227 30.30495 88.98177 27.46640 -0.000000      0.000000 
1 1 1 0  10 24  o 74.83990 21.99209 0.4800513      0.1974692     0.9448662      0.2787117     0.1153576E-01  0.2798189     111.2596 20.08606 37.02539 23.82601 0.000000       0.000000 
1 1 1 0  10 25  o 169.6161 16.87898 2.066233       0.3863412     2.110987       0.5426843     2.020242       0.5501297     167.7342 25.08376 163.1102 26.53240 0.000000       0.000000 
1 1 1 0  10 26  o 75.23569 21.83387 0.4831992      0.1968588     0.7478803      0.2754423     0.2068346      0.2814559     95.35793 24.19311 47.34256 27.13827 0.000000       0.000000 
1 1 1 0  10 27  o 160.7330 17.18206 1.864303       0.3703573     1.133115       0.5204565     2.614380       0.5271360     110.3445 37.96734 189.7331 20.75184 -0.000000      0.000000 
1 1 1 0  10 28  o 381.2383 24.15843 10.39259       1.260046      0.000000       0.000000      10.39259       1.260046      381.2383 24.15843 381.2383 24.15843 0.000000       0.000000 
1 1 1 0  10 29  o 105.6465 30.40859 0.9616296      0.3847176     0.000000       0.000000      0.9616296      0.3847176     105.6465 30.40859 105.6465 30.40859 0.000000       0.000000 
1 1 1 0  10 30  o 123.7809 29.36060 1.249484       0.4356354     1.249484       0.4356354     0.000000       0.000000      123.7809 29.36060 123.7809 29.36060 -0.000000      0.000000 
1 1 1 0  10 31  o 88.78883 30.84061 0.7290657      0.3414057     0.000000       0.000000      0.7290657      0.3414057     88.78883 30.84061 88.78883 30.84061 0.000000       0.000000 
1 1 1 0  10 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 33  o 58.67081 26.96367 0.3555120      0.2393235     0.000000       0.000000      0.3555120      0.2393235     58.67081 26.96367 58.67081 26.96367 -0.000000      0.000000 
1 1 1 0  10 34  o 43.69625 23.14101 0.1955826      0.1873944     0.1955826      0.1873944     0.000000       0.000000      43.69625 23.14101 43.69625 23.14101 0.000000       0.000000 
1 1 1 0  10 35  o 139.0616 27.31862 1.517452       0.4668202     1.517452       0.4668202     0.000000       0.000000      139.0616 27.31862 139.0616 27.31862 0.000000       0.000000 
1 1 1 0  10 36  o 90.17772 21.06526 0.6544138      0.2280194     0.6290637      0.3319722     0.6770552      0.3137364     80.25787 31.35075 85.73714 29.46650 -0.000000      0.000000 
1 1 1 0  10 37  o 104.3785 19.82118 0.8405070      0.2557080     0.8536895      0.3707118     0.8285421      0.3531766     97.37974 31.25112 96.45837 30.21596 -0.000000      0.000000 
1 1 1 0  10 38  o 134.6629 18.00668 1.336409       0.3180405     0.9554467      0.4560611     1.697075       0.4437460     100.1332 36.02891 150.0486 23.02994 -0.000000      0.000000 
1 1 1 0  10 39  o 56.62656 22.37695 0.3103667      0.1683442     0.2788098      0.2477612     0.3374295      0.2294420     51.57007 26.79832 57.00765 26.39112 -0.000000      0.000000 
1 1 1 0  10 40  o 115.6646 19.06763 1.011212       0.2796530     1.286894       0.3898543     0.7189955      0.4013755     128.4576 24.58851 84.23547 34.78399 0.000000       0.000000 
1 1 1 0  10 41  o 209.7446 16.87778 3.143256       0.4815332     3.387781       0.6754707     2.890570       0.6866485     214.6739 23.50389 195.8848 26.81108 0.000000       0.000000 
1 1 1 0  10 42  o 125.0302 18.50422 1.166674       0.2989028     1.169112       0.4127906     1.163987       0.4333858     118.8590 29.03382 117.1026 31.02171 0.000000       0.000000 
1 1 1 0  10 43  o 109.7658 19.48533 0.9217460      0.2675803     0.8866480      0.3897998     0.9530236      0.3679740     98.42167 32.33079 105.4233 29.22441 -0.000000      0.000000 
1 1 1 0  10 44  o 48.28774 21.67722 0.2380344      0.1543701     0.2315469      0.2370560     0.2428110      0.2034106     47.50166 25.75185 48.07932 24.44746 -0.000000      0.000000 
1 1 1 0  10 45  o 64.15616 22.92784 0.3829275      0.1854475     0.3567674      0.2790345     0.4036240      0.2481913     57.83341 28.79513 62.75301 27.47419 -0.000000      0.000000 
1 1 1 0  10 46  o 39.79797 20.30367 0.1645134      0.1405668     0.1895094      0.1755929     0.1199131      0.2345528     42.76934 22.46795 39.62339 23.79999 0.000000       0.000000 
1 1 1 0  10 47  o 29.87201 17.33384 0.7751884E-01  0.1170290     0.6311610E-01  0.1439276     0.1056206      0.2010427     30.45131 18.46654 36.96132 22.11797 0.000000       0.000000 
1 1 1 0  10 48  o 75.52802 22.80854 0.4977137      0.2074661     0.4537115      0.3120208     0.5325836      0.2777612     65.32366 30.73567 73.88171 28.63085 -0.000000      0.000000 
1 1 1 0  10 49  o 57.96218 23.30436 0.3294365      0.1815612     0.4765187      0.2786846     0.2209708      0.2393201     68.43038 29.06145 46.67487 25.67763 -0.000000      0.000000 
1 1 1 0  10 50  o 121.1010 19.00363 1.104811       0.2944101     1.450321       0.4057196     0.7205235      0.4278814     137.3975 23.43107 82.79317 36.07078 0.000000       0.000000 
1 1 1 0  10 51  o 39.96242 20.91822 0.1651760      0.1517959     0.9061281E-01  0.1973775     0.2731239      0.2374883     35.74650 21.65134 50.80762 26.28238 0.000000       0.000000 
1 1 1 0  10 52  o 172.7567 17.47027 2.162677       0.4069757     2.354455       0.5931507     1.992085       0.5594296     175.7832 26.13765 159.8492 27.88636 -0.000000      0.000000 
1 1 1 0  10 53  o 109.3327 20.31859 0.9243065      0.2756298     0.7438910      0.4066527     1.077632       0.3748815     85.39404 34.97007 114.3444 27.37016 -0.000000      0.000000 
1 1 1 0  10 54  o 121.7440 19.58725 1.122212       0.3037140     1.241980       0.4499627     1.021984       0.4116259     121.0677 31.14054 107.3726 31.90599 -0.000000      0.000000 
1 1 1 0  10 55  o 116.0970 20.52622 1.035437       0.2983616     1.104802       0.3975975     0.9460297      0.4513986     114.7119 29.02807 98.69841 35.97108 0.000000       0.000000 
1 1 1 0  10 56  o 192.4004 17.58163 2.671881       0.4581249     1.315171       0.6518313     3.996238       0.6440125     113.2028 43.85748 234.8613 20.20231 -0.000000      0.000000 
1 1 1 0  10 57  o 35.56733 19.80877 0.1234673      0.1444124     0.9596313E-01  0.2571075     0.1361437      0.1745473     39.32613 24.23811 37.88638 21.51019 -0.000000      0.000000 
1 1 1 0  10 58  o 165.7014 18.08699 2.003640       0.4013151     2.769382       0.5530441     1.151967       0.5832504     194.0039 21.29878 105.9808 41.59447 0.000000       0.000000 
1 1 1 0  10 59  o 223.9312 17.59351 3.599908       0.5362837     5.183221       0.7552881     1.990062       0.7615905     267.7032 20.71786 147.5830 43.04187 0.000000       0.000000 
1 1 1 0  10 60  o 269.0511 17.37027 5.166313       0.6391574     5.330111       0.9311735     5.020389       0.8788998     268.2818 25.67654 260.6843 24.94109 -0.000000      0.000000 
1 1 1 0  10 61  o 410.8827 17.45808 11.97546       0.9864284     12.29920       1.378108      11.63533       1.412571      411.2167 24.46862 398.6225 25.91440 0.000000       0.000000 
1 1 1 0  10 62  o 149.3017 19.29635 1.653243       0.3795124     1.763146       0.5666228     1.563828       0.5110866     146.4916 31.98007 137.9715 30.70029 -0.000000      0.000000 
1 1 1 0  10 63  o 300.5345 17.41485 6.440535       0.7171372     6.938529       1.045599      5.998196       0.9854425     307.0096 25.04827 284.6974 25.54013 -0.000000      0.000000 
1 1 1 0  10 64  o 96.45514 24.26534 0.7744186      0.2795200     0.7072216      0.3646996     0.8700955      0.4351746     84.08736 32.86309 93.21430 35.76438 0.000000       0.000000 
1 1 1 0  10 65  o 249.1946 26.91038 4.674347       0.8986291     4.674347       0.8986291     0.000000       0.000000      249.1946 26.91038 249.1946 26.91038 -0.000000      0.000000 
1 1 1 0  10 66  o 89.15754 37.45541 0.8417144      0.4637590     0.8417144      0.4637590     0.000000       0.000000      89.15754 37.45541 89.15754 37.45541 -0.000000      0.000000 
1 1 1 0  10 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 68  o 80.56219 31.97431 0.6593341      0.3431210     0.6593341      0.3431210     0.000000       0.000000      80.56219 31.97431 80.56219 31.97431 0.000000       0.000000 
1 1 1 0  10 69  o 198.7549 17.17892 2.869419       0.4633646     0.000000       0.000000      2.869419       0.4633646     198.7549 17.17892 198.7549 17.17892 -0.000000      0.000000 
1 1 1 0  10 70  o 101.3961 15.76467 0.7766961      0.2048288     1.093221       0.2345095     -0.2416985     0.4206440     122.0228 14.45168 36.63241 25.21969 0.000000       0.000000 
1 1 1 0  10 71  o 184.2036 14.30614 2.442446       0.3588323     3.209465       0.4287513     0.6489646      0.6556178     211.2670 14.86633 72.31383 41.43396 0.000000       0.000000 
1 1 1 0  10 72  o 57.39571 19.42157 0.3031112      0.1377668     0.3697051      0.1499447     -0.5762975E-01 0.3489889     65.01382 19.21000 37.32551 24.89091 0.000000       0.000000 
1 1 1 0  10 73  o 133.7924 15.20638 1.322407       0.2715581     1.538092       0.3151870     0.7010781      0.5349573     143.9246 16.41110 74.21489 39.15407 0.000000       0.000000 
1 1 1 0  10 74  o 64.41798 22.19925 0.3911696      0.1777540     0.3901549      0.1968411     0.3956538      0.4137942     62.51538 24.07073 57.87818 33.01625 0.000000       0.000000 
1 1 1 0  10 75  o 130.3412 15.70625 1.269663       0.2718029     0.5528510      0.5434394     1.508795       0.3138830     65.31921 37.59221 141.9141 16.61321 -0.000000      0.000000 
1 1 1 0  10 76  o 132.2104 15.65001 1.307857       0.2751715     1.680990       0.3168784     0.1636505      0.5548979     150.4657 15.63848 50.82704 33.01870 0.000000       0.000000 
1 1 1 0  10 77  o 207.9520 14.84877 3.158130       0.4213804     4.734743       0.5037238     -0.5168424     0.7690541     255.5976 14.37644 44.26366 31.25258 0.000000       0.000000 
1 1 1 0  10 78  f 41.06159 21.76539 0.1879356      0.1658882     0.3125473E-01  0.1802940     1.052516       0.4235221     30.08739 19.26721 101.8357 33.83623 0.000000       0.000000 
1 1 1 0  10 79  o 82.40500 19.11446 0.5656825      0.1891975     -0.1780331     0.4214210     0.7534245      0.2117354     36.65227 25.23580 97.76012 17.30237 -0.000000      0.000000 
1 1 1 0  10 80  o ?        ?        -0.3485829     0.8505530E-01 -0.3073840     0.8963323E-01 -0.7212780     0.2695897     10.41168 7.707596 19.55492 14.38284 0.000000       0.000000 
1 1 1 0  10 81  o 30.93785 11.96687 0.9214179E-01  0.4856136E-01 0.1051117      0.4914387E-01 -0.4452608     0.3163381     33.88658 11.67013 25.90338 18.58905 0.000000       0.000000 
1 1 1 0  10 82  o 118.1742 16.71900 1.075548       0.2570725     1.241487       0.2970909     0.5810558      0.5128570     126.3355 18.10973 64.18549 36.70010 0.000000       0.000000 
1 1 1 0  10 83  o 71.24810 21.40619 0.4616237      0.1835395     0.6190754      0.2068710     -0.1206708     0.3978297     85.67072 20.12765 36.66042 25.05150 0.000000       0.000000 
1 1 1 0  10 84  o 89.86656 19.30130 0.6658671      0.2102497     0.8583376      0.2423096     0.7946143E-01  0.4229487     103.5264 18.78404 43.20163 28.33399 0.000000       0.000000 
1 1 1 0  10 85  o 98.77023 18.39998 0.7819066      0.2253895     1.053522       0.2634080     0.3940529E-01  0.4355124     116.2990 17.59410 42.47575 28.15700 0.000000       0.000000 
1 1 1 0  10 86  o 101.6127 18.41611 0.8247231      0.2332190     -0.6086003E-01 0.4470514     1.155856       0.2733655     40.22037 27.22401 122.3982 17.13669 -0.000000      0.000000 
1 1 1 0  10 87  o 98.57875 18.85786 0.7848810      0.2294726     -0.1205546E-01 0.4394449     1.083660       0.2690716     41.09460 27.56920 117.8752 17.71058 -0.000000      0.000000 
1 1 1 0  10 88  o 136.3914 16.11190 1.412531       0.2923107     0.2366105      0.5358789     1.910631       0.3487675     50.73094 32.76613 159.1764 16.25648 -0.000000      0.000000 
1 1 1 0  10 89  o 84.74752 20.81981 0.6185002      0.2109806     0.7776462      0.2467174     0.1854026      0.4070003     95.86075 21.33028 45.76471 29.16491 0.000000       0.000000 
1 1 1 0  10 90  o 30.27656 18.20895 0.8122025E-01  0.1376478     0.1313728      0.1511456     -0.1625513     0.3332270     34.99963 19.95858 31.98931 22.12787 0.000000       0.000000 
1 1 1 0  10 91  o 49.71793 27.47981 0.3185607      0.2755499     0.000000       0.000000      0.3185607      0.2755499     49.71793 27.47981 49.71793 27.47981 -0.000000      0.000000 
1 1 1 0  10 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 12  o 61.95877 28.49008 0.3985315      0.2672017     0.3985315      0.2672017     0.000000       0.000000      61.95877 28.49008 61.95877 28.49008 0.000000       0.000000 
1 1 1 0  11 13  o 116.5474 18.89683 1.022581       0.2801336     1.256740       0.4016558     0.8007936      0.3909006     126.0261 26.16619 91.70755 33.49160 0.000000       0.000000 
1 1 1 0  11 14  o 138.9628 17.71614 1.415673       0.3248655     1.410257       0.4615436     1.420990       0.4573438     132.6302 28.74434 133.5518 28.18207 0.000000       0.000000 
1 1 1 0  11 15  o 124.5088 18.30220 1.153259       0.2947306     0.9235355      0.4136970     1.390035       0.4199985     100.2779 33.50801 133.5849 25.45304 -0.000000      0.000000 
1 1 1 0  11 16  o 153.9599 17.29858 1.720803       0.3558204     1.987290       0.5063472     1.460828       0.5001227     162.5231 24.12687 133.5421 31.20037 -0.000000      0.000000 
1 1 1 0  11 17  o 97.84609 20.16898 0.7499709      0.2406350     0.6112422      0.3377592     0.8929697      0.3429179     78.31313 31.83679 102.6125 27.99494 -0.000000      0.000000 
1 1 1 0  11 18  o 68.91372 22.58801 0.4251824      0.1905639     0.6628549      0.2714598     0.1942585      0.2675781     87.43684 25.85624 45.85130 26.38264 0.000000       0.000000 
1 1 1 0  11 19  o 60.29103 22.28235 0.3417274      0.1719704     0.2966582      0.2391805     0.3899613      0.2474353     53.07507 26.61694 61.63139 27.44042 0.000000       0.000000 
1 1 1 0  11 20  o 79.23569 21.67164 0.5279864      0.2050005     0.6481050      0.2852130     0.3996078      0.2948564     84.90675 27.51500 61.40942 29.76456 0.000000       0.000000 
1 1 1 0  11 21  o 183.7255 16.85624 2.423346       0.4193543     2.448959       0.6007341     2.399002       0.5856662     180.3656 25.61276 178.6698 25.17699 -0.000000      0.000000 
1 1 1 0  11 22  o 182.5526 16.93312 2.394533       0.4183962     2.810610       0.6028277     2.007817       0.5811696     195.1074 23.24717 160.3309 29.09079 -0.000000      0.000000 
1 1 1 0  11 23  o 69.44819 22.44729 0.4300269      0.1902070     0.4300599      0.2759037     0.4299971      0.2625776     64.40952 28.98132 64.87226 28.25666 -0.000000      0.000000 
1 1 1 0  11 24  o 59.01682 22.41999 0.3318313      0.1717108     0.3761636      0.2370169     0.2828616      0.2491052     60.54037 26.85477 51.83854 26.88934 0.000000       0.000000 
1 1 1 0  11 25  o 130.3086 18.06174 1.257887       0.3071654     1.522254       0.4323761     0.9885179      0.4364476     140.6073 24.49666 103.5473 34.31818 0.000000       0.000000 
1 1 1 0  11 26  o 91.29611 21.28005 0.6725203      0.2332494     0.8455535E-01  0.3317621     1.247223       0.3279990     42.82406 26.89089 128.8250 19.83829 -0.000000      0.000000 
1 1 1 0  11 27  o 243.9503 16.72127 4.233059       0.5571837     4.704803       0.7871690     3.759375       0.7887871     254.2943 22.84164 224.6389 26.38212 0.000000       0.000000 
1 1 1 0  11 28  o 93.59608 20.92844 0.7001185      0.2362127     0.7643547      0.3421853     0.6416440      0.3264783     91.26507 30.46289 81.30718 30.92152 -0.000000      0.000000 
1 1 1 0  11 29  o 120.3340 18.66430 1.087414       0.2879082     1.337467       0.4021877     0.8245921      0.4123291     130.8170 24.88181 91.86510 34.69271 0.000000       0.000000 
1 1 1 0  11 30  o 145.1045 17.72548 1.543373       0.3409871     0.8723370      0.4835810     2.206954       0.4808875     91.92432 38.21368 173.0040 20.94670 -0.000000      0.000000 
1 1 1 0  11 31  o 314.7167 16.77638 7.013751       0.7243156     6.440883       1.006254      7.629732       1.043431      296.9123 24.94907 324.5391 23.56976 0.000000       0.000000 
1 1 1 0  11 32  o 249.1476 16.77222 4.417314       0.5710109     4.037867       0.8126504     4.787347       0.8025078     233.0497 26.09222 256.2124 23.11628 -0.000000      0.000000 
1 1 1 0  11 33  o 272.9986 16.92348 5.295436       0.6323342     3.575073       0.8807665     7.125380       0.9083842     215.2174 31.64298 314.8954 21.10899 -0.000000      0.000000 
1 1 1 0  11 34  o 119.1209 18.88885 1.069627       0.2873039     1.528933       0.3999319     0.5798111      0.4130015     142.2175 21.91323 73.00340 35.24547 0.000000       0.000000 
1 1 1 0  11 35  f 73.16360 22.79572 0.4721620      0.2018697     0.5452653      0.2757916     0.3877925      0.2962823     75.24340 28.35881 60.17124 29.72015 0.000000       0.000000 
1 1 1 0  11 36  o 96.32377 20.97586 0.7384089      0.2444534     0.9776073      0.3360450     0.4695689      0.3562586     109.5162 25.56104 65.84510 32.57833 0.000000       0.000000 
1 1 1 0  11 37  o 130.6103 18.49074 1.269689       0.3142024     1.288422       0.4317967     1.248608       0.4580644     125.6732 28.54262 121.1595 31.68739 0.000000       0.000000 
1 1 1 0  11 38  o 191.7229 17.20599 2.645621       0.4470664     2.350338       0.6422566     2.923188       0.6226922     173.7377 29.26619 198.4287 23.60796 -0.000000      0.000000 
1 1 1 0  11 39  o 251.3378 17.00278 4.501815       0.5838878     4.915102       0.8166977     4.069699       0.8350936     259.4128 23.22816 233.2836 26.84794 0.000000       0.000000 
1 1 1 0  11 40  o 539.7595 17.84249 20.60188       1.326531      24.07074       1.972686      17.73853       1.792261      577.3141 24.85090 493.6457 26.46730 -0.000000      0.000000 
1 1 1 0  11 41  o 301.6853 17.25873 6.468431       0.7135707     8.920121       1.027695      4.186128       0.9915578     352.3373 21.30192 232.4995 32.75571 0.000000       0.000000 
1 1 1 0  11 42  o 180.1218 17.51912 2.347286       0.4262653     3.401054       0.6000631     1.273854       0.6056358     216.1831 20.52710 113.1848 41.81057 0.000000       0.000000 
1 1 1 0  11 43  o 92.53641 21.85921 0.6957116      0.2425541     1.109697       0.3319008     0.2211771      0.3553444     119.3988 22.45188 50.14251 29.69218 0.000000       0.000000 
1 1 1 0  11 44  o 93.50676 21.87195 0.7089264      0.2454608     0.2979625      0.3607742     1.063125       0.3349323     54.47838 30.92697 115.8999 23.66447 -0.000000      0.000000 
1 1 1 0  11 45  o 72.90111 24.13382 0.4817005      0.2160146     0.4574452      0.2887037     0.5125504      0.3255940     66.13497 29.64400 69.69611 31.47915 0.000000       0.000000 
1 1 1 0  11 46  o 209.4063 17.23787 3.149356       0.4906676     3.350625       0.6811043     2.932207       0.7074634     212.4422 24.00877 195.9476 27.75348 0.000000       0.000000 
1 1 1 0  11 47  o 121.3061 19.78841 1.117289       0.3049771     1.207178       0.4135807     1.010152       0.4515175     120.9868 28.50051 103.5460 35.22502 0.000000       0.000000 
1 1 1 0  11 48  o 427.6921 17.36502 12.95855       1.021679      11.28742       1.394737      14.89360       1.500835      392.7614 25.97807 453.4639 24.12511 0.000000       0.000000 
1 1 1 0  11 49  o 125.1397 19.68377 1.183973       0.3149809     1.259771       0.4725109     1.123353       0.4225630     120.5759 32.82957 114.1891 31.00364 -0.000000      0.000000 
1 1 1 0  11 50  o 135.3746 18.85431 1.365770       0.3328887     0.9295206E-01  0.4892650     2.462856       0.4542356     49.95153 31.88952 184.1261 18.27937 -0.000000      0.000000 
1 1 1 0  11 51  o 55.55125 23.30995 0.3092600      0.1796517     0.4338311      0.2281957     0.1061894      0.2913548     66.65802 25.98117 41.56896 25.70260 0.000000       0.000000 
1 1 1 0  11 52  o 138.9659 18.55003 1.433614       0.3381835     2.058518       0.4635558     0.7225919      0.4944667     166.3457 21.10742 80.49887 38.59855 0.000000       0.000000 
1 1 1 0  11 53  o 47.07547 21.89983 0.2303299      0.1580734     -0.3761286E-01 0.2637361     0.3805479      0.1974738     33.61908 22.16123 62.73723 24.09745 -0.000000      0.000000 
1 1 1 0  11 54  o 65.69093 23.76796 0.4064579      0.1978221     0.6473975      0.2543297     0.3742401E-01  0.3147576     86.71873 24.52501 39.64627 25.41579 0.000000       0.000000 
1 1 1 0  11 55  o 185.4293 17.66762 2.494887       0.4429365     3.117499       0.6123108     1.811450       0.6415234     205.2061 22.27475 144.0944 37.30832 0.000000       0.000000 
1 1 1 0  11 56  o 28.36287 19.10821 -0.8351690E-01 0.2153774     -0.8351690E-01 0.2153774     0.000000       0.000000      28.36287 19.10821 28.36287 19.10821 -0.000000      0.000000 
1 1 1 0  11 57  o 42.47538 25.92122 0.1316787      0.2875974     0.000000       0.000000      0.1316787      0.2875974     42.47538 25.92122 42.47538 25.92122 0.000000       0.000000 
1 1 1 0  11 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 59  o 61.25939 28.71061 0.4048998      0.2719834     0.4048998      0.2719834     0.000000       0.000000      61.25939 28.71061 61.25939 28.71061 0.000000       0.000000 
1 1 1 0  11 60  o 36.83595 21.57384 0.1215426      0.1839534     0.1215426      0.1839534     0.000000       0.000000      36.83595 21.57384 36.83595 21.57384 0.000000       0.000000 
1 1 1 0  11 61  o 26.96418 17.32496 0.1066457E-01  0.1472664     -0.7903850E-01 0.1733157     0.2436231      0.2793017     24.93035 16.89595 48.35757 27.30751 0.000000       0.000000 
1 1 1 0  11 62  o 54.79786 7.946977 0.2213870      0.5645012E-01 0.2832253      0.5859091E-01 -0.5787422     0.2107567     62.74046 6.984539 17.42138 12.80465 0.000000       0.000000 
1 1 1 0  11 63  o 81.32970 24.92087 0.5964975      0.2446288     0.7193521E-01  0.3843507     0.9536978      0.3171648     43.48275 27.95847 107.0878 24.63713 -0.000000      0.000000 
1 1 1 0  11 64  o 167.2955 19.25034 2.101162       0.4294072     4.177341       0.6000929     -0.7745088E-01 0.6147183     238.4290 18.48269 48.12665 32.38111 0.000000       0.000000 
1 1 1 0  11 65  o 166.3397 19.02763 2.081692       0.4222482     3.104907       0.5773084     0.9046420      0.6191871     202.4840 21.17839 82.97340 42.55010 0.000000       0.000000 
1 1 1 0  11 66  o 147.8225 19.94338 1.676920       0.3862259     0.4189475E-01  0.5641891     3.118914       0.5298395     48.54686 32.13699 204.1691 19.18303 -0.000000      0.000000 
1 1 1 0  11 67  o 40.10807 22.27399 0.1719746      0.1820106     0.1765519E-01  0.3262962     0.2416797      0.2192977     38.11724 24.95970 46.37964 24.88723 -0.000000      0.000000 
1 1 1 0  11 68  o 92.07880 25.94963 0.7634435      0.2856612     0.6027662      0.4521108     0.8702141      0.3685476     68.33949 36.01096 93.26239 31.87620 -0.000000      0.000000 
1 1 1 0  11 69  o 92.81499 24.92447 0.7634278      0.2760496     0.5295866E-01  0.4377575     1.232465       0.3556843     43.64795 28.69689 122.4379 23.55668 -0.000000      0.000000 
1 1 1 0  11 70  o 44.40215 24.26869 0.2230374      0.2121885     0.1333118      0.3831726     0.2627222      0.2548286     44.24361 28.23590 47.70327 26.40467 -0.000000      0.000000 
1 1 1 0  11 71  o 105.7136 24.35918 0.9570694      0.3095131     2.210942       0.4163590     -0.5917230     0.4627409     170.6593 18.18860 31.54012 22.60990 0.000000       0.000000 
1 1 1 0  11 72  o 21.33111 14.56010 -0.6892806E-01 0.1335541     -0.8334348E-01 0.2668144     -0.6410879E-01 0.1542717     30.96237 20.97832 23.45155 15.90690 -0.000000      0.000000 
1 1 1 0  11 73  o 43.84807 20.94905 0.2119040      0.1455214     0.3698520      0.3350061     0.1751694      0.1615599     54.49760 30.23544 39.66068 21.33584 -0.000000      0.000000 
1 1 1 0  11 74  o 39.33873 19.86611 0.1714838      0.1337837     0.2084263      0.1472678     -0.2987232E-02 0.3200414     43.33009 21.02946 36.40876 24.13592 0.000000       0.000000 
1 1 1 0  11 75  o 68.31172 20.99626 0.4264604      0.1731965     -0.4544599E-01 0.3685896     0.5601807      0.1962067     37.33861 25.10820 80.83295 20.32432 -0.000000      0.000000 
1 1 1 0  11 76  o 159.8839 15.22976 1.903039       0.3292210     -0.1968092     0.5988004     2.812781       0.3941371     42.82427 29.63221 195.4675 14.79776 -0.000000      0.000000 
1 1 1 0  11 77  o 128.5848 16.15081 1.257346       0.2744905     0.4278983      0.5227178     1.573154       0.3225402     57.56326 35.04308 143.8471 16.84225 -0.000000      0.000000 
1 1 1 0  11 78  f 225.6851 14.84696 3.735723       0.4580835     0.1099688      0.8006460     5.500197       0.5585333     53.59137 36.31875 274.3452 14.84323 -0.000000      0.000000 
1 1 1 0  11 79  o 104.9682 18.01502 0.8717954      0.2380286     0.8880660      0.2756733     0.8241255      0.4718637     102.9461 22.08898 79.46147 37.75035 0.000000       0.000000 
1 1 1 0  11 80  o 109.3268 17.38181 0.9350268      0.2425297     0.7302207      0.4658847     1.011163       0.2840547     73.47390 37.07960 111.6915 20.44165 -0.000000      0.000000 
1 1 1 0  11 81  o 45.19674 20.81799 0.2231868      0.1426944     0.3471414      0.1603913     -0.2473720     0.3125045     59.68768 21.31921 29.24825 20.49873 0.000000       0.000000 
1 1 1 0  11 82  o 44.30054 21.10318 0.2186342      0.1475604     0.1177846      0.3368682     0.2425793      0.1641461     41.17720 26.35605 46.37156 22.23864 -0.000000      0.000000 
1 1 1 0  11 83  o 118.0618 16.73587 1.083132       0.2570089     -0.7270659     0.4805464     1.808365       0.3041663     30.12405 21.80279 155.7804 14.42465 -0.000000      0.000000 
1 1 1 0  11 84  o 51.47038 25.51427 0.3194946      0.2186796     0.3282339      0.2763995     0.3048698      0.3575571     50.69081 27.70111 49.20587 29.47079 0.000000       0.000000 
1 1 1 0  11 85  o ?        ?        -0.5797409     0.8980993E-01 0.000000       0.000000      -0.5797409     0.8980993E-01 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 0  11 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 9   o 111.9159 30.81897 1.078552       0.4118552     1.078552       0.4118552     0.000000       0.000000      111.9159 30.81897 111.9159 30.81897 -0.000000      0.000000 
1 1 1 0  12 10  o 80.58539 30.72159 0.6323251      0.3219488     0.6323251      0.3219488     0.000000       0.000000      80.58539 30.72159 80.58539 30.72159 -0.000000      0.000000 
1 1 1 0  12 11  o 40.05083 22.71091 0.1527587      0.1942588     0.1527587      0.1942588     0.000000       0.000000      40.05083 22.71091 40.05083 22.71091 -0.000000      0.000000 
1 1 1 0  12 12  o 111.4592 30.58736 1.068359       0.4070469     0.000000       0.000000      1.068359       0.4070469     111.4592 30.58736 111.4592 30.58736 0.000000       0.000000 
1 1 1 0  12 13  o 141.6461 28.20056 1.595064       0.4897551     0.000000       0.000000      1.595064       0.4897551     141.6461 28.20056 141.6461 28.20056 0.000000       0.000000 
1 1 1 0  12 14  o 87.95444 31.04880 0.7293668      0.3426241     0.7293668      0.3426241     0.000000       0.000000      87.95444 31.04880 87.95444 31.04880 -0.000000      0.000000 
1 1 1 0  12 15  o 30.28412 18.72200 0.5023824E-01  0.1545227     0.000000       0.000000      0.5023824E-01  0.1545227     30.28412 18.72200 30.28412 18.72200 0.000000       0.000000 
1 1 1 0  12 16  f 50.79882 26.25438 0.2730175      0.2368207     0.2730175      0.2368207     0.000000       0.000000      50.79882 26.25438 50.79882 26.25438 -0.000000      0.000000 
1 1 1 0  12 17  o 91.22904 31.82663 0.7825643      0.3626128     0.000000       0.000000      0.7825643      0.3626128     91.22904 31.82663 91.22904 31.82663 0.000000       0.000000 
1 1 1 0  12 18  o 163.1498 26.92079 2.055140       0.5568300     0.000000       0.000000      2.055140       0.5568300     163.1498 26.92079 163.1498 26.92079 0.000000       0.000000 
1 1 1 0  12 19  o 106.0126 31.79259 0.9980342      0.4054948     0.9980342      0.4054948     0.000000       0.000000      106.0126 31.79259 106.0126 31.79259 -0.000000      0.000000 
1 1 1 0  12 20  o 195.2484 25.74010 2.870796       0.6604314     0.000000       0.000000      2.870796       0.6604314     195.2484 25.74010 195.2484 25.74010 0.000000       0.000000 
1 1 1 0  12 21  o 71.01382 30.69022 0.5202404      0.3099067     0.5202404      0.3099067     0.000000       0.000000      71.01382 30.69022 71.01382 30.69022 -0.000000      0.000000 
1 1 1 0  12 22  o 229.9177 16.90444 3.776628       0.5300066     4.449636       0.7483526     3.099322       0.7507380     246.9707 22.36617 201.2714 28.70214 0.000000       0.000000 
1 1 1 0  12 23  o 200.2224 17.26933 2.882731       0.4692768     1.448053       0.6576349     4.371195       0.6698487     121.5699 43.05974 246.0392 20.02173 -0.000000      0.000000 
1 1 1 0  12 24  o 420.1718 17.30972 12.49580       1.000406      9.734122       1.348557      15.87551       1.491843      363.7791 27.19633 469.5193 23.13896 0.000000       0.000000 
1 1 1 0  12 25  o 131.8744 18.49310 1.294403       0.3177606     1.291784       0.4598998     1.296795       0.4395531     123.8807 31.08266 125.5757 29.14249 -0.000000      0.000000 
1 1 1 0  12 26  o 126.7074 19.03309 1.204801       0.3108438     0.1220443      0.4370059     2.313649       0.4422399     48.93464 30.78388 178.3431 18.40740 -0.000000      0.000000 
1 1 1 0  12 27  o 124.0851 19.19456 1.159758       0.3054515     2.268075       0.4340715     0.7261232E-01  0.4299058     176.5946 18.24730 46.81588 29.88960 0.000000       0.000000 
1 1 1 0  12 28  o 113.3664 19.57980 0.9823325      0.2790761     0.5903134      0.3997689     1.354982       0.3897675     73.78215 34.78155 132.2767 23.56945 -0.000000      0.000000 
1 1 1 0  12 29  o 50.19702 22.27473 0.2573314      0.1630631     0.1313117      0.2436964     0.3594955      0.2194214     40.66780 24.34368 59.28268 25.83057 -0.000000      0.000000 
1 1 1 0  12 30  o 57.26120 22.44936 0.3180436      0.1699723     1.040242       0.2302058     -0.5475650     0.2520280     119.3765 14.54149 20.88825 15.20259 0.000000       0.000000 
1 1 1 0  12 31  o 191.7242 17.21513 2.649295       0.4472981     3.541664       0.6312590     1.749445       0.6338994     220.2308 21.21010 141.7966 37.47362 0.000000       0.000000 
1 1 1 0  12 32  o 283.6156 16.98146 5.723597       0.6595736     5.078683       0.9127535     6.428379       0.9541809     261.7480 25.83145 296.8066 23.62631 0.000000       0.000000 
1 1 1 0  12 33  f 156.8867 17.82534 1.799759       0.3732849     1.138816       0.5359061     2.422651       0.5202511     107.7132 39.17195 180.8490 21.65443 -0.000000      0.000000 
1 1 1 0  12 34  o 316.5956 16.96687 7.119014       0.7368612     7.855976       1.066503      6.445898       1.019260      328.4315 23.80423 295.9464 25.37111 -0.000000      0.000000 
1 1 1 0  12 35  o 139.6954 18.86431 1.450016       0.3452029     3.119757       0.4879172     -0.2234735     0.4884646     208.3544 17.23030 41.20421 28.04846 0.000000       0.000000 
1 1 1 0  12 36  o 176.7758 17.91575 2.270788       0.4270190     0.4064491      0.5998791     4.185913       0.6079949     64.82245 38.48804 241.2752 18.49953 -0.000000      0.000000 
1 1 1 0  12 37  o 241.7471 17.73956 4.189721       0.5848354     1.294745       0.8049846     7.425929       0.8511054     105.5061 49.39925 321.9984 19.30099 -0.000000      0.000000 
1 1 1 0  12 38  o 174.2728 18.12219 2.212410       0.4252947     0.2480901      0.5981401     4.220922       0.6048309     58.90184 36.59876 242.3231 18.31658 -0.000000      0.000000 
1 1 1 0  12 39  o 324.1921 17.14297 7.474636       0.7625074     8.971169       1.083076      6.003953       1.073682      351.8793 22.50188 282.9972 28.11261 0.000000       0.000000 
1 1 1 0  12 40  o 91.95724 22.64588 0.6969644      0.2489717     0.9551319      0.3358401     0.3819548      0.3709742     107.3556 26.14764 59.46834 32.22252 0.000000       0.000000 
1 1 1 0  12 41  o 94.04000 22.80170 0.7267493      0.2566170     0.7963153      0.3883518     0.6728320      0.3418936     90.16792 33.53996 82.50715 31.71168 -0.000000      0.000000 
1 1 1 0  12 42  o 158.5535 18.31707 1.847343       0.3870980     2.060363       0.5720463     1.667402       0.5257568     161.9131 28.13121 143.0106 30.26771 -0.000000      0.000000 
1 1 1 0  12 43  o 87.28877 34.77061 0.7756793      0.4052851     0.7756793      0.4052851     0.000000       0.000000      87.28877 34.77061 87.28877 34.77061 -0.000000      0.000000 
1 1 1 0  12 44  o ?        ?        -0.5078584     0.7569374E-01 -0.5078584     0.7569374E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  12 45  o 174.1049 29.65925 2.400958       0.6509000     0.000000       0.000000      2.400958       0.6509000     174.1049 29.65925 174.1049 29.65925 0.000000       0.000000 
1 1 1 0  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 47  o 293.9460 24.71414 6.427265       0.9868013     6.427265       0.9868013     0.000000       0.000000      293.9460 24.71414 293.9460 24.71414 0.000000       0.000000 
1 1 1 0  12 48  o 135.4320 29.68501 1.520792       0.4859979     0.000000       0.000000      1.520792       0.4859979     135.4320 29.68501 135.4320 29.68501 -0.000000      0.000000 
1 1 1 0  12 49  o 175.8980 26.74151 2.421970       0.6050084     2.421970       0.6050084     0.000000       0.000000      175.8980 26.74151 175.8980 26.74151 0.000000       0.000000 
1 1 1 0  12 50  o 99.18031 22.63182 0.8062623      0.2700656     0.3883866      0.4053044     1.139952       0.3621837     58.95943 33.05515 118.1454 25.27715 -0.000000      0.000000 
1 1 1 0  12 51  o 25.32427 16.61240 -0.1526979E-01 0.1454989     0.3104131      0.2540185     -0.1742967     0.1775020     52.89891 27.22552 22.06161 15.45915 -0.000000      0.000000 
1 1 1 0  12 52  o 61.66865 23.42305 0.3719722      0.1874333     -0.3801720     0.3044998     0.8308063      0.2378287     26.86760 19.09986 103.3963 18.39293 -0.000000      0.000000 
1 1 1 0  12 53  o 64.58530 24.94174 0.4149470      0.2110893     0.4991404E-01  0.3491173     0.6253000      0.2650206     40.95506 26.45022 82.13093 26.46510 -0.000000      0.000000 
1 1 1 0  12 54  o 111.9412 21.33984 0.9998431      0.2950490     2.139459       0.3978120     -0.3935179     0.4398763     169.9399 17.36870 34.19428 24.03963 0.000000       0.000000 
1 1 1 0  12 55  o 42.90163 22.49934 0.2013133      0.1758606     0.1387333      0.3030062     0.2331008      0.2159544     42.38337 26.20851 45.92215 24.67919 -0.000000      0.000000 
1 1 1 0  12 56  o 47.13159 22.78650 0.2433083      0.1726840     -0.1284564     0.2995223     0.4284014      0.2113441     32.05272 21.85895 65.55331 24.86517 -0.000000      0.000000 
1 1 1 0  12 57  o 107.0460 22.21646 0.9393116      0.2896842     0.1293471E-01  0.4342124     1.682345       0.3888772     42.74435 28.26175 147.6140 20.14021 -0.000000      0.000000 
1 1 1 0  12 58  o 69.36083 25.34772 0.4762822      0.2238312     0.7897363      0.2868097     -0.1204165E-01 0.3579816     94.38583 25.46250 38.49504 25.52145 0.000000       0.000000 
1 1 1 0  12 59  o 119.6634 21.31158 1.149053       0.3188524     2.138376       0.4299608     -0.5986568E-01 0.4752896     167.3269 19.27332 42.05701 28.34940 0.000000       0.000000 
1 1 1 0  12 60  o 76.00433 25.85592 0.5593491      0.2432705     0.2435977      0.3854586     0.7683738      0.3136201     48.90183 29.92084 89.17335 28.82450 -0.000000      0.000000 
1 1 1 0  12 61  o 122.3805 21.63406 1.208349       0.3314937     1.976540       0.4438802     0.2396372      0.4984578     158.5978 21.35829 51.14890 32.46801 0.000000       0.000000 
1 1 1 0  12 62  o 205.7324 18.98958 3.212008       0.5288905     0.6315892      0.7457011     5.823988       0.7502478     66.14482 40.99546 277.2972 19.82680 -0.000000      0.000000 
1 1 1 0  12 63  o 104.5051 25.07198 0.9499283      0.3138017     0.9991819      0.4094929     0.8798537      0.4884364     98.41935 33.57998 82.81684 38.49750 0.000000       0.000000 
1 1 1 0  12 64  o 158.9220 20.35708 1.974417       0.4266490     4.364677       0.5991039     -0.4852067     0.6077344     240.9074 18.25087 38.78836 27.46333 0.000000       0.000000 
1 1 1 0  12 65  o 48.79900 24.46194 0.2749705      0.2019672     -0.1275632E-01 0.3217146     0.4621284      0.2594685     36.17281 24.05210 64.10139 28.09192 -0.000000      0.000000 
1 1 1 0  12 66  o 138.4023 21.11791 1.528398       0.3756962     -0.4546466     0.5380265     3.415485       0.5248479     36.48111 25.83180 212.5707 18.18731 -0.000000      0.000000 
1 1 1 0  12 67  o 39.33658 21.94157 0.1703417      0.1774874     -0.7488336E-01 0.2936729     0.3114588      0.2227774     32.69040 22.10969 51.59991 25.72281 -0.000000      0.000000 
1 1 1 0  12 68  o 57.74765 25.98080 0.3740541      0.2217319     0.2753738E-02  0.3430157     0.6405709      0.2906120     37.64573 24.96634 78.61803 28.93537 -0.000000      0.000000 
1 1 1 0  12 69  o 51.96541 25.12539 0.3103963      0.2099571     0.7393258      0.2727623     -0.3132764     0.3289044     90.11147 25.32408 28.93984 20.43410 0.000000       0.000000 
1 1 1 0  12 70  o 86.40149 26.85514 0.7096584      0.2807060     -0.5804815     0.4171370     1.777409       0.3794855     29.36204 21.11350 151.5698 18.93030 -0.000000      0.000000 
1 1 1 0  12 71  o 148.4696 21.35222 1.754044       0.4114540     -0.2143243     0.5911391     3.603791       0.5730501     42.29792 29.30937 217.0759 19.47873 -0.000000      0.000000 
1 1 1 0  12 72  o 188.3191 19.59357 2.735904       0.4968733     0.8278079      0.7075120     4.592801       0.6979554     71.71601 42.16409 243.3620 21.13682 -0.000000      0.000000 
1 1 1 0  12 73  o 160.2039 20.38232 2.018172       0.4309807     0.8374490      0.6282063     3.068023       0.5923687     73.24171 41.11636 196.1887 22.65200 -0.000000      0.000000 
1 1 1 0  12 74  o 150.8401 20.72364 1.809647       0.4084750     0.8352165      0.5963112     2.671095       0.5606761     73.37271 40.47165 181.4460 23.45825 -0.000000      0.000000 
1 1 1 0  12 75  o 96.81853 26.09819 0.8609298      0.3015415     0.1996435      0.4562049     1.373995       0.4018383     47.19231 30.38864 125.3019 26.38389 -0.000000      0.000000 
1 1 1 0  12 76  o 43.02506 26.61416 0.1907962      0.3127238     0.000000       0.000000      0.1907962      0.3127238     43.02506 26.61416 43.02506 26.61416 0.000000       0.000000 
1 1 1 0  12 77  o 30.65830 20.53565 -0.2608981E-01 0.2421721     -0.2608981E-01 0.2421721     0.000000       0.000000      30.65830 20.53565 30.65830 20.53565 -0.000000      0.000000 
1 1 1 0  12 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 1   o 64.81384 29.99927 0.4460906      0.2964628     0.4460906      0.2964628     0.000000       0.000000      64.81384 29.99927 64.81384 29.99927 -0.000000      0.000000 
1 1 1 0  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 9   o 73.13142 31.30112 0.5529795      0.3228783     0.5529795      0.3228783     0.000000       0.000000      73.13142 31.30112 73.13142 31.30112 -0.000000      0.000000 
1 1 1 0  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 18  o 162.1191 27.79675 2.057604       0.5673388     2.057604       0.5673388     0.000000       0.000000      162.1191 27.79675 162.1191 27.79675 -0.000000      0.000000 
1 1 1 0  13 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 22  o ?        ?        -0.4241179     0.6407601E-01 -0.4241179     0.6407601E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  13 23  o 16.60042 11.92228 -0.2168066     0.1311926     0.000000       0.000000      -0.2168066     0.1311926     16.60042 11.92228 16.60042 11.92228 0.000000       0.000000 
1 1 1 0  13 24  o 266.7721 25.51965 5.305956       0.9202948     5.305956       0.9202948     0.000000       0.000000      266.7721 25.51965 266.7721 25.51965 -0.000000      0.000000 
1 1 1 0  13 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 29  o 85.52068 32.08207 0.7235738      0.3537979     0.7235738      0.3537979     0.000000       0.000000      85.52068 32.08207 85.52068 32.08207 0.000000       0.000000 
1 1 1 0  13 30  o 138.7193 29.49852 1.583340       0.4966914     1.583340       0.4966914     0.000000       0.000000      138.7193 29.49852 138.7193 29.49852 0.000000       0.000000 
1 1 1 0  13 31  o 149.7617 28.61899 1.811532       0.5291609     0.000000       0.000000      1.811532       0.5291609     149.7617 28.61899 149.7617 28.61899 -0.000000      0.000000 
1 1 1 0  13 32  o 206.0622 25.67591 3.255004       0.6999509     0.000000       0.000000      3.255004       0.6999509     206.0622 25.67591 206.0622 25.67591 -0.000000      0.000000 
1 1 1 0  13 33  o 123.9781 20.10290 1.181682       0.3170097     2.058103       0.4405670     0.2407399      0.4564960     165.8416 20.01176 53.07936 32.51664 0.000000       0.000000 
1 1 1 0  13 34  o 81.24016 24.05883 0.5835621      0.2347351     1.076195       0.3189635     0.1529821E-02  0.3466993     116.5809 22.13614 39.43495 25.78939 0.000000       0.000000 
1 1 1 0  13 35  o 52.21708 23.27944 0.2854692      0.1780761     -0.5378143E-01 0.2816247     0.5114712      0.2298616     33.74227 22.45705 73.94500 25.12154 -0.000000      0.000000 
1 1 1 0  13 36  o 93.26006 23.11714 0.7303903      0.2576555     1.226041       0.3509482     0.1508653      0.3794821     124.4969 22.63065 46.45345 28.99109 0.000000       0.000000 
1 1 1 0  13 37  o 36.43945 20.10085 0.1362979      0.1471057     0.3172320      0.1868762     -0.1584798     0.2385290     55.25565 23.82781 27.38005 18.88564 0.000000       0.000000 
1 1 1 0  13 38  o 44.72542 23.06675 0.2180545      0.1825567     0.3411468      0.2857995     0.1332165      0.2372691     54.83195 28.70254 39.64412 23.87471 -0.000000      0.000000 
1 1 1 0  13 39  o 28.94073 17.90744 0.5049889E-01  0.1416903     0.6928913E-01  0.1755743     0.1540783E-01  0.2399346     32.44347 20.01195 33.62984 21.79645 0.000000       0.000000 
1 1 1 0  13 40  o 47.76631 23.50852 0.2503151      0.1851038     0.3769989      0.2407713     0.6722385E-01  0.2894529     58.58641 27.03913 38.56975 24.58584 0.000000       0.000000 
1 1 1 0  13 41  o 55.93508 24.69479 0.3336338      0.2004561     0.2384949E-01  0.3064394     0.5653424      0.2650244     37.56655 24.45403 75.58321 27.56783 -0.000000      0.000000 
1 1 1 0  13 42  o 34.28874 20.07501 0.1095720      0.1591811     -0.4250523E-01 0.2623429     0.1981868      0.2002582     32.52186 21.65413 42.73676 23.49689 -0.000000      0.000000 
1 1 1 0  13 43  o 105.5462 22.93866 0.9231359      0.2929996     1.902626       0.4004915     -0.2048869     0.4297858     158.2343 19.06264 37.05855 25.50780 0.000000       0.000000 
1 1 1 0  13 44  o 32.03857 18.90365 0.9246403E-01  0.1431172     -0.2683342     0.2460941     0.2768480      0.1759262     24.88951 17.59384 50.57317 23.12425 -0.000000      0.000000 
1 1 1 0  13 45  o 36.37650 20.91505 0.1331916      0.1679647     0.1935775      0.2112136     0.2930646E-01  0.2770323     42.28263 23.79896 35.89472 23.32272 0.000000       0.000000 
1 1 1 0  13 46  o 92.83706 23.30148 0.7429542      0.2583693     -0.3723890     0.3919762     1.599829       0.3435691     31.59146 22.30659 145.0385 17.88507 -0.000000      0.000000 
1 1 1 0  13 47  o 46.31425 22.72223 0.2392284      0.1727046     0.5172283      0.2197600     -0.2097675     0.2792849     74.01054 24.25568 28.38526 19.77894 0.000000       0.000000 
1 1 1 0  13 48  o 18.46111 11.04253 0.2597871E-01  0.5006751E-01 0.6041756E-01  0.5214279E-01 -0.3810154     0.1792520     24.06050 12.34570 17.55390 12.78128 0.000000       0.000000 
1 1 1 0  13 49  f 55.77806 24.91700 0.3415973      0.2039959     0.2583861      0.3200008     0.3985637      0.2647707     48.13174 28.32893 58.36085 28.21543 -0.000000      0.000000 
1 1 1 0  13 50  o 32.81651 19.54412 0.9732987E-01  0.1555099     0.1225712      0.1934514     0.5122598E-01  0.2614473     36.31888 21.71508 35.71218 22.99948 0.000000       0.000000 
1 1 1 0  13 51  f 58.24135 24.17364 0.3585852      0.1935710     -0.4811829     0.3015846     0.9469137      0.2524291     24.51552 17.67618 109.7481 18.14983 -0.000000      0.000000 
1 1 1 0  13 52  o 49.56822 24.11375 0.2794422      0.1938242     0.1557393      0.3029038     0.3652118      0.2522212     42.16366 26.13042 55.64832 27.43236 -0.000000      0.000000 
1 1 1 0  13 53  o 88.07653 24.70206 0.7020218      0.2600161     1.468425       0.3525438     -0.2121692     0.3850375     136.5875 19.93238 34.05613 23.61179 0.000000       0.000000 
1 1 1 0  13 54  o 54.26719 24.78225 0.3289380      0.2020317     0.6426612      0.2667349     -0.9324700E-01 0.3094268     81.41821 26.74416 33.05716 22.45195 0.000000       0.000000 
1 1 1 0  13 55  o 125.2635 21.73823 1.272799       0.3420591     2.738722       0.4803225     -0.2356573     0.4872410     189.3868 18.79180 38.09966 26.45019 0.000000       0.000000 
1 1 1 0  13 56  o 70.02319 26.62795 0.5071583      0.2421156     0.5885473      0.3232315     0.4031205      0.3654485     71.13858 31.35743 56.20370 31.43632 0.000000       0.000000 
1 1 1 0  13 57  o 62.92510 25.93065 0.4241965      0.2231903     -0.1356098     0.3276009     0.9091021      0.3048981     32.86190 22.52924 101.7537 25.06310 -0.000000      0.000000 
1 1 1 0  13 58  o 25.93831 16.83846 0.6338425E-02  0.1439720     -0.4792392E-01 0.2237360     0.4468661E-01  0.1880871     29.35336 19.68592 31.17861 19.85255 -0.000000      0.000000 
1 1 1 0  13 59  o 144.4166 20.96093 1.653966       0.3923438     -0.3487120     0.5470612     3.775025       0.5629979     38.50753 27.01698 223.3860 18.54622 -0.000000      0.000000 
1 1 1 0  13 60  o 59.95516 25.71088 0.3921763      0.2177789     0.9974670      0.2970152     -0.3116051     0.3202695     109.6846 22.13373 28.48345 20.12198 0.000000       0.000000 
1 1 1 0  13 61  o 108.7266 23.36032 0.9990947      0.3078533     -0.3059494E-01 0.4419235     1.969895       0.4291003     40.81828 27.46131 158.3545 20.58482 -0.000000      0.000000 
1 1 1 0  13 62  o 59.84470 25.97109 0.3951545      0.2218469     0.1749994      0.3341231     0.5687330      0.2966813     43.81668 27.28229 71.17197 29.96338 -0.000000      0.000000 
1 1 1 0  13 63  o 66.04771 26.29087 0.4627929      0.2317589     -0.3052339     0.3435726     1.104056       0.3139412     29.81665 21.01976 115.7223 21.94421 -0.000000      0.000000 
1 1 1 0  13 64  o 142.6531 20.95540 1.628248       0.3866750     0.1426799E-02  0.5467096     3.256635       0.5469726     44.69697 30.21112 205.1762 19.72507 -0.000000      0.000000 
1 1 1 0  13 65  o 111.4293 23.52578 1.059927       0.3185163     0.2263690      0.4599824     1.827798       0.4414869     48.30301 30.86993 149.1520 23.08206 -0.000000      0.000000 
1 1 1 0  13 66  o 47.63171 28.30420 0.2746260      0.3248886     0.000000       0.000000      0.2746260      0.3248886     47.63171 28.30420 47.63171 28.30420 0.000000       0.000000 
1 1 1 0  13 67  o 42.54856 26.59806 0.1817327      0.3207404     0.1817327      0.3207404     0.000000       0.000000      42.54856 26.59806 42.54856 26.59806 -0.000000      0.000000 
1 1 1 0  13 68  o 30.11343 20.07902 -0.1464545E-01 0.2269783     -0.1464545E-01 0.2269783     0.000000       0.000000      30.11343 20.07902 30.11343 20.07902 -0.000000      0.000000 
1 1 1 0  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 0   o 34.48413 21.60250 0.5429611E-01  0.2126891     0.000000       0.000000      0.5429611E-01  0.2126891     34.48413 21.60250 34.48413 21.60250 0.000000       0.000000 
1 1 1 0  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 9   o 22.87583 15.62310 -0.8445546E-01 0.1542401     -0.8445546E-01 0.1542401     0.000000       0.000000      22.87583 15.62310 22.87583 15.62310 -0.000000      0.000000 
1 1 1 0  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 18  o 140.8499 31.92061 1.740032       0.5413431     1.740032       0.5413431     0.000000       0.000000      140.8499 31.92061 140.8499 31.92061 -0.000000      0.000000 
1 1 1 0  14 19  o 38.54309 23.42195 0.1250169      0.2325559     0.000000       0.000000      0.1250169      0.2325559     38.54309 23.42195 38.54309 23.42195 0.000000       0.000000 
1 1 1 0  14 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 28  o 29.03823 17.90656 0.5716074E-01  0.1404880     0.5014485E-01  0.2203797     0.6196373E-01  0.1823418     33.58136 21.42437 31.99572 20.02506 -0.000000      0.000000 
1 1 1 0  14 29  o 87.67492 24.88232 0.6939492      0.2609506     -0.3395271     0.3769071     1.645427       0.3616456     31.29430 22.05207 146.3135 18.74257 -0.000000      0.000000 
1 1 1 0  14 30  o 93.93977 24.42293 0.7758771      0.2737618     1.908070       0.3804287     -0.4401191     0.3942567     158.4822 17.98161 30.44131 21.65710 0.000000       0.000000 
1 1 1 0  14 31  o 93.50963 24.63404 0.7731172      0.2748103     2.110408       0.3812624     -0.6729420     0.3964643     167.7250 16.85237 27.28461 19.75551 0.000000       0.000000 
1 1 1 0  14 32  o 54.80054 24.78930 0.3318712      0.2019435     0.6441029      0.2715519     -0.5446009E-01 0.3020607     81.40865 27.11808 33.97027 22.80952 0.000000       0.000000 
1 1 1 0  14 33  o 55.63250 24.83718 0.3404009      0.2026952     -0.2115759     0.3030159     0.7874082      0.2726856     29.69704 20.67234 94.90077 24.06602 -0.000000      0.000000 
1 1 1 0  14 34  o 41.33530 22.37411 0.1914162      0.1786898     0.3426724      0.2372120     -0.7010731E-02 0.2716943     54.22063 26.62488 33.88052 22.38610 0.000000       0.000000 
1 1 1 0  14 35  o 66.09218 25.97870 0.4554975      0.2273813     0.6028498      0.3094172     0.2824954      0.3352677     73.70124 30.55829 49.45689 29.04963 0.000000       0.000000 
1 1 1 0  14 36  o 90.82787 25.03995 0.7438352      0.2715836     1.632844       0.3780948     -0.2037525     0.3903528     144.2643 20.09557 34.52769 23.89938 0.000000       0.000000 
1 1 1 0  14 37  o 87.42792 25.38293 0.7021020      0.2659554     -0.1407365     0.3831154     1.486056       0.3694899     35.60625 24.39807 136.5271 21.09951 -0.000000      0.000000 
1 1 1 0  14 38  o 107.8518 23.06953 0.9788901      0.3017616     0.6063240E-01  0.4251196     1.911418       0.4284102     42.83307 28.20243 155.6670 21.00761 -0.000000      0.000000 
1 1 1 0  14 39  o 39.30156 21.10988 0.1719414      0.1579259     0.6767943      0.2087751     -0.5033246     0.2414536     91.12039 18.79160 20.29185 14.78198 0.000000       0.000000 
1 1 1 0  14 40  o 22.59451 15.62835 -0.1140464     0.1661608     0.000000       0.000000      -0.1140464     0.1661608     22.59451 15.62835 22.59451 15.62835 0.000000       0.000000 
1 1 1 0  14 41  o 29.30982 19.40428 -0.1861681E-01 0.2057648     -0.1861681E-01 0.2057648     0.000000       0.000000      29.30982 19.40428 29.30982 19.40428 -0.000000      0.000000 
1 1 1 0  14 42  o 25.42350 17.24714 -0.7087704E-01 0.1815087     -0.7087704E-01 0.1815087     0.000000       0.000000      25.42350 17.24714 25.42350 17.24714 -0.000000      0.000000 
1 1 1 0  14 43  o 13.03693 9.526524 -0.2490485     0.1052334     0.000000       0.000000      -0.2490485     0.1052334     13.03693 9.526524 13.03693 9.526524 0.000000       0.000000 
1 1 1 0  14 44  o ?        ?        -0.3985777     0.6969491E-01 0.000000       0.000000      -0.3985777     0.6969491E-01 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 0  14 45  o 43.34409 25.82758 0.1967647      0.2718282     0.000000       0.000000      0.1967647      0.2718282     43.34409 25.82758 43.34409 25.82758 0.000000       0.000000 
1 1 1 0  14 46  o ?        ?        -0.2981240     0.7929851E-01 -0.2981240     0.7929851E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  14 47  o 46.24817 27.01523 0.2413982      0.2871709     0.000000       0.000000      0.2413982      0.2871709     46.24817 27.01523 46.24817 27.01523 0.000000       0.000000 
1 1 1 0  14 48  o 24.72063 16.87230 -0.8443951E-01 0.1792569     -0.8443951E-01 0.1792569     0.000000       0.000000      24.72063 16.87230 24.72063 16.87230 -0.000000      0.000000 
1 1 1 0  14 49  o ?        ?        -0.2660902     0.6377460E-01 -0.2660902     0.6377460E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  14 50  o 74.40245 26.03119 0.5512868      0.2421499     -0.1197834     0.3438079     1.211871       0.3411113     33.99803 23.24712 120.9289 22.79238 -0.000000      0.000000 
1 1 1 0  14 51  o 24.68962 15.95778 0.9833047E-02  0.1274091     -0.6058218E-01 0.1976696     0.5987890E-01  0.1666444     26.93894 18.19560 30.61495 19.15322 -0.000000      0.000000 
1 1 1 0  14 52  o 115.5160 23.26137 1.126219       0.3288518     -0.2715451     0.4589376     2.601228       0.4714481     35.81739 25.04625 183.3107 19.10027 -0.000000      0.000000 
1 1 1 0  14 53  o 52.27932 24.77727 0.3168395      0.2031493     0.5150068      0.2847734     0.1114903      0.2898878     66.16898 29.43769 38.93969 24.73577 0.000000       0.000000 
1 1 1 0  14 54  o ?        ?        -0.5286332     0.6517361E-01 -0.5286332     0.6517361E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  14 55  o 20.74813 14.45522 -0.1170068     0.1490231     0.000000       0.000000      -0.1170068     0.1490231     20.74813 14.45522 20.74813 14.45522 0.000000       0.000000 
1 1 1 0  14 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 9   o 16.07694 11.46738 -0.1574236     0.1132502     0.000000       0.000000      -0.1574236     0.1132502     16.07694 11.46738 16.07694 11.46738 0.000000       0.000000 
1 1 1 0  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 19  o ?        ?        -0.1996573     0.5284189E-01 -0.1996573     0.5284189E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 29  o 13.22500 9.579750 -0.1816139     0.9376083E-01 0.000000       0.000000      -0.1816139     0.9376083E-01 13.22500 9.579750 13.22500 9.579750 0.000000       0.000000 
1 1 1 0  15 30  o 18.69506 13.20697 -0.1540909     0.1379644     -0.1540909     0.1379644     0.000000       0.000000      18.69506 13.20697 18.69506 13.20697 -0.000000      0.000000 
1 1 1 0  15 31  o 46.23921 23.27289 0.2461316      0.1832447     0.5554628      0.2490663     -0.1188926     0.2705602     74.05156 26.61731 29.92637 20.50534 0.000000       0.000000 
1 1 1 0  15 32  o 38.99999 21.73082 0.1689683      0.1738888     0.1169154      0.2332194     0.2341312      0.2609410     37.26011 23.01967 45.08760 26.00502 0.000000       0.000000 
1 1 1 0  15 33  o 57.66582 25.27940 0.3698315      0.2101118     0.3942902      0.2869584     0.3415636      0.3084951     56.24420 28.93923 52.11799 28.97872 0.000000       0.000000 
1 1 1 0  15 34  o 21.84259 14.64528 -0.3446176E-01 0.1237001     0.1945964E-01  0.1632492     -0.1071661     0.1895617     27.96727 18.07146 24.61810 16.94376 0.000000       0.000000 
1 1 1 0  15 35  o 36.24223 20.74850 0.1411741      0.1641886     0.5588757      0.2229446     -0.3538646     0.2427076     76.82744 23.96842 22.57000 16.21064 0.000000       0.000000 
1 1 1 0  15 36  o 43.27764 25.78502 0.2102023      0.2708785     0.2102023      0.2708785     0.000000       0.000000      43.27764 25.78502 43.27764 25.78502 -0.000000      0.000000 
1 1 1 0  15 37  o 29.50031 19.55600 -0.1094066E-01 0.2100973     -0.1094066E-01 0.2100973     0.000000       0.000000      29.50031 19.55600 29.50031 19.55600 -0.000000      0.000000 
1 1 1 0  15 38  o 37.83355 23.75884 0.1214604      0.2590324     0.1214604      0.2590324     0.000000       0.000000      37.83355 23.75884 37.83355 23.75884 -0.000000      0.000000 
1 1 1 0  15 39  o 14.18091 10.29539 -0.2219235     0.1116132     -0.2219235     0.1116132     0.000000       0.000000      14.18091 10.29539 14.18091 10.29539 -0.000000      0.000000 
1 1 1 0  15 40  f ?        ?        -0.3126565     0.6812400E-01 -0.3126565     0.6812400E-01 0.000000       0.000000      ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 0  15 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  4   o 4970.042 67.96986 1746.752       46.62634      1746.264       65.92094      1747.240       65.95827      4908.704 97.34286 4910.008 97.37212 -0.000000      0.000000 
1 1 1 1  0  5   o 4829.812 53.36911 1634.641       35.58269      1600.464       42.32994      1716.956       65.69299      4763.057 64.38768 4866.067 97.85870 -0.000000      0.000000 
1 1 1 1  0  6   o 2487.234 29.19909 429.1552       10.02511      424.2065       17.11885      431.7383       12.36771      2461.254 50.41871 2491.647 35.96405 0.000000       0.000000 
1 1 1 1  0  7   o 3130.992 30.81148 680.3102       13.31796      687.0814       19.07232      673.8665       18.60525      3138.162 44.03347 3108.305 43.36750 0.000000       0.000000 
1 1 1 1  0  8   o 2638.170 26.54296 482.4049       9.666987      481.4146       13.63393      483.4062       13.70874      2630.324 37.55549 2635.692 37.68471 0.000000       0.000000 
1 1 1 1  0  9   o 347.7761 11.01609 8.380690       0.5278093     8.563406       0.7490315     8.200485       0.7438655     350.9424 15.52620 343.3420 15.76595 -0.000000      0.000000 
1 1 1 1  0  10  o 1939.100 20.75039 260.2649       5.554595      261.0091       7.878495      259.5294       7.832476      1939.376 29.43533 1933.897 29.34629 0.000000       0.000000 
1 1 1 1  0  11  o 500.1150 11.49640 17.30728       0.7929602     17.17388       1.119794      17.44144       1.123044      497.6053 16.33718 501.4901 16.25666 -0.000000      0.000000 
1 1 1 1  0  12  o 803.5764 12.86507 44.65440       1.426679      44.77976       2.021049      44.52987       2.014224      804.0519 18.22464 801.8033 18.21412 -0.000000      0.000000 
1 1 1 1  0  13  o 153.2362 10.82525 1.646277       0.2264277     1.641990       0.3200159     1.650575       0.3204185     151.7509 15.65378 152.1677 15.62717 0.000000       0.000000 
1 1 1 1  0  14  o 529.7216 11.61604 19.41462       0.8487347     19.65091       1.203452      19.18080       1.197158      532.3807 16.40601 525.9399 16.52147 0.000000       0.000000 
1 1 1 1  0  15  o 100.9480 11.15764 0.7294205      0.1506751     0.7451154      0.2130212     0.7137061      0.2131524     99.80789 16.91572 97.19350 17.59285 0.000000       0.000000 
1 1 1 1  0  16  o 1994.201 21.20852 275.2930       5.838573      272.5176       8.166685      278.1947       8.350356      1981.545 29.86250 2001.966 30.22272 -0.000000      0.000000 
1 1 1 1  0  17  o 396.3534 11.19147 10.87897       0.6113976     10.80206       0.8643579     10.95598       0.8649359     394.3304 15.93344 397.1592 15.82892 -0.000000      0.000000 
1 1 1 1  0  18  o 392.7263 11.17612 10.68116       0.6049544     10.81071       0.8563845     10.55211       0.8546875     394.5125 15.77797 389.7174 15.94317 0.000000       0.000000 
1 1 1 1  0  19  o 164.1505 12.60516 1.894529       0.2818377     2.027922       0.4879833     1.827762       0.3452409     166.8908 22.28969 160.2647 15.96417 0.000000       0.000000 
1 1 1 1  0  20  o 262.6424 22.32686 4.876822       0.7962501     4.876822       0.7962501     0.000000       0.000000      262.6424 22.32686 262.6424 22.32686 -0.000000      0.000000 
1 1 1 1  0  21  o 516.5195 23.37644 18.58398       1.659483      18.58398       1.659483      0.000000       0.000000      516.5195 23.37644 516.5195 23.37644 0.000000       0.000000 
1 1 1 1  0  22  o 2233.431 26.77495 345.8132       8.254647      346.4178       14.32811      345.5128       10.09906      2226.091 46.65934 2230.163 32.81091 -0.000000      0.000000 
1 1 1 1  0  23  o 426.2839 11.33697 12.58092       0.6662528     12.38636       0.9401746     12.77719       0.9442864     422.3532 16.17496 429.0207 15.99039 -0.000000      0.000000 
1 1 1 1  0  24  o 1530.760 17.63149 162.1033       3.725668      162.5707       5.285056      161.6416       5.252872      1531.418 25.00801 1527.052 24.92677 -0.000000      0.000000 
1 1 1 1  0  25  o 1026.572 14.20389 72.87667       2.012552      73.29888       2.858956      72.46192       2.833570      1028.704 20.14442 1022.818 20.08054 -0.000000      0.000000 
1 1 1 1  0  26  f 307.9896 11.01637 6.578280       0.4671436     6.554589       0.6596188     6.602118       0.6616676     306.7322 15.66713 307.8525 15.65780 0.000000       0.000000 
1 1 1 1  0  27  o 738.3147 12.59587 37.69878       1.283284      37.65061       1.812208      37.74723       1.817478      737.2162 17.82581 738.1591 17.85483 0.000000       0.000000 
1 1 1 1  0  28  o 936.4116 13.66583 60.63737       1.766169      59.84274       2.476655      61.45966       2.519372      929.5026 19.31525 941.9810 19.38775 0.000000       0.000000 
1 1 1 1  0  29  o 474.3150 11.52600 15.57076       0.7538823     15.42157       1.062840      15.72181       1.069493      471.4397 16.37166 476.0314 16.31406 0.000000       0.000000 
1 1 1 1  0  30  f 202.8878 10.94467 2.868469       0.3045786     2.874210       0.4312821     2.862756       0.4301983     202.1068 15.67074 201.6982 15.66372 -0.000000      0.000000 
1 1 1 1  0  31  o 1653.490 18.57403 189.1744       4.239573      189.0048       5.987261      189.3450       6.004099      1650.939 26.27890 1652.412 26.32935 0.000000       0.000000 
1 1 1 1  0  32  o 2062.320 21.78892 294.4778       6.203268      293.5340       8.738839      295.4363       8.807050      2056.106 30.79568 2062.709 30.93675 0.000000       0.000000 
1 1 1 1  0  33  o 230.6057 10.96878 3.698722       0.3474732     3.802795       0.4927020     3.595743       0.4901109     233.0190 15.46925 226.4153 15.85513 -0.000000      0.000000 
1 1 1 1  0  34  o 1656.194 18.61020 189.8000       4.254776      188.4433       5.970494      191.2001       6.064943      1648.450 26.24488 1660.411 26.46805 0.000000       0.000000 
1 1 1 1  0  35  o 927.4295 13.65211 59.48194       1.747458      60.17210       2.489900      58.81205       2.453068      932.0253 19.36598 921.4289 19.29923 -0.000000      0.000000 
1 1 1 1  0  36  o 1438.313 17.00458 143.1109       3.376142      142.2334       4.746316      144.0097       4.803365      1432.489 24.01057 1441.381 24.14925 0.000000       0.000000 
1 1 1 1  0  37  o 395.5884 11.29713 10.83827       0.6159530     10.79173       0.8691617     10.88522       0.8730294     394.1066 16.03191 395.8182 16.03310 0.000000       0.000000 
1 1 1 1  0  38  o 918.8451 13.61034 58.38954       1.725975      57.69635       2.421753      59.10508       2.460502      912.5903 19.23765 923.6666 19.31075 0.000000       0.000000 
1 1 1 1  0  39  o 751.8956 14.71982 39.12653       1.526941      37.15587       2.579205      40.18993       1.894649      730.8613 25.62864 761.6018 18.03904 0.000000       0.000000 
1 1 1 1  0  40  o 398.8770 22.92256 11.12751       1.252986      11.12751       1.252986      0.000000       0.000000      398.8770 22.92256 398.8770 22.92256 -0.000000      0.000000 
1 1 1 1  0  41  o 494.4542 16.61557 16.96561       1.131531      19.92920       1.661663      14.40310       1.545136      534.9995 22.58475 453.8618 24.82475 0.000000       0.000000 
1 1 1 1  0  42  o 1109.248 17.07930 85.17090       2.614595      85.94988       4.563175      84.79015       3.190197      1111.387 29.78306 1106.050 20.90524 -0.000000      0.000000 
1 1 1 1  0  43  o 236.7497 11.06710 3.898257       0.3599928     4.053961       0.5111621     3.745033       0.5070758     240.6348 15.53216 231.0444 16.07286 -0.000000      0.000000 
1 1 1 1  0  44  o 1180.026 15.26676 96.34270       2.486640      97.27399       3.545164      95.44082       3.488793      1184.436 21.69280 1173.244 21.55161 -0.000000      0.000000 
1 1 1 1  0  45  o 83.53039 12.33462 0.5127216      0.1331592     0.4852507      0.1883157     0.5401925      0.1883154     76.69941 20.57597 82.61255 18.95700 0.000000       0.000000 
1 1 1 1  0  46  o 280.2774 11.11978 5.454328       0.4288118     5.420919       0.6054611     5.487950       0.6074064     278.5952 15.85641 280.3388 15.80619 0.000000       0.000000 
1 1 1 1  0  47  o 470.2957 11.59394 15.31523       0.7518711     15.27038       1.061289      15.36043       1.065335      468.9108 16.43680 470.2940 16.45074 0.000000       0.000000 
1 1 1 1  0  48  o 481.5770 11.67189 16.05927       0.7751185     16.31952       1.101674      15.80415       1.090773      484.7610 16.50174 477.0002 16.60630 -0.000000      0.000000 
1 1 1 1  0  49  o 957.7238 13.90536 63.48289       1.838037      63.28347       2.591571      63.68473       2.607253      955.0433 19.67062 958.0565 19.72739 0.000000       0.000000 
1 1 1 1  0  50  o 287.1820 11.17412 5.727125       0.4415835     5.922098       0.6276661     5.536045       0.6213683     291.2493 15.71170 281.4268 16.11068 -0.000000      0.000000 
1 1 1 1  0  51  o 239.4232 11.13896 3.988690       0.3664394     3.904497       0.5187562     4.072537       0.5176927     235.8459 16.10161 241.0288 15.70785 -0.000000      0.000000 
1 1 1 1  0  52  o 105.1695 11.71675 0.7928514      0.1647475     0.7029503      0.2316530     0.8848552      0.2343465     95.02407 20.06422 109.4453 16.64921 0.000000       0.000000 
1 1 1 1  0  53  o 151.8301 11.26455 1.620350       0.2331736     1.550579       0.3285499     1.691157       0.3309781     146.8038 16.77402 153.8189 15.97778 0.000000       0.000000 
1 1 1 1  0  54  o 233.7022 11.15676 3.803651       0.3581601     3.723416       0.5049035     3.884917       0.5081419     230.1182 16.06982 235.1921 15.81075 0.000000       0.000000 
1 1 1 1  0  55  o 109.6106 11.70118 0.8593367      0.1720154     0.8248761      0.2421905     0.8944164      0.2443570     104.4940 18.52075 109.6408 17.46925 0.000000       0.000000 
1 1 1 1  0  56  o 104.8352 11.82855 0.7892774      0.1656149     0.8262948      0.2336731     0.7519149      0.2347603     104.9990 17.60434 98.94887 19.28065 0.000000       0.000000 
1 1 1 1  0  57  o 251.2667 11.21041 4.396520       0.3871883     4.291440       0.5457215     4.503033       0.5494313     247.0699 16.15450 253.2431 15.85466 0.000000       0.000000 
1 1 1 1  0  58  o 40.56873 15.72813 0.1558646      0.8380714E-01 0.2079837      0.1177704     0.1023948      0.1192866     46.39503 18.78892 32.70280 18.07859 0.000000       0.000000 
1 1 1 1  0  59  o 117.5535 13.72219 0.9968016      0.2148090     0.9566258      0.2635693     1.076277       0.3707049     113.1216 18.31317 116.0421 26.55994 -0.000000      0.000000 
1 1 1 1  0  60  f 348.4897 13.19181 8.463558       0.6327287     8.642273       0.7775038     8.113123       1.088749      351.3719 16.10199 337.6516 23.61722 -0.000000      0.000000 
1 1 1 1  0  61  o 76.45376 20.89070 0.4881850      0.1906697     0.6071611      0.2696285     0.3691749      0.2696670     82.62215 26.73892 59.64696 28.51541 0.000000       0.000000 
1 1 1 1  0  62  o 63.48281 17.73674 0.3382102      0.1345300     0.3160457      0.1645673     0.3828603      0.2335750     57.81813 21.94456 61.76751 26.63943 0.000000       0.000000 
1 1 1 1  0  63  o 226.9101 13.11444 3.613556       0.4077643     3.622822       0.4987983     3.594888       0.7080003     226.2535 16.15507 222.2193 23.75833 0.000000       0.000000 
1 1 1 1  0  64  o 274.7550 11.34737 5.266353       0.4288366     5.115955       0.6043414     5.418885       0.6086143     269.2535 16.39407 277.3268 16.01545 0.000000       0.000000 
1 1 1 1  0  65  o 196.6442 11.40825 2.711648       0.3073833     2.565191       0.4331045     2.860290       0.4363246     189.4088 16.86743 200.5696 15.98828 0.000000       0.000000 
1 1 1 1  0  66  o 169.7879 11.48932 2.029390       0.2665324     1.812220       0.3750980     2.250865       0.3787967     158.0336 17.76658 177.5329 15.73656 0.000000       0.000000 
1 1 1 1  0  67  o 159.6601 11.57572 1.798451       0.2521182     1.859237       0.3568897     1.737896       0.3562091     160.6449 16.48687 154.8605 17.20082 0.000000       0.000000 
1 1 1 1  0  68  o 131.7541 11.78698 1.234551       0.2104923     1.289533       0.2981494     1.179913       0.2972148     132.6871 17.04470 126.1469 18.15515 -0.000000      0.000000 
1 1 1 1  0  69  o 140.4132 11.75757 1.397925       0.2242850     1.455419       0.3174011     1.340586       0.3169732     141.4152 16.89132 135.0604 17.86790 -0.000000      0.000000 
1 1 1 1  0  70  o 101.7189 12.62024 0.7513433      0.1699154     0.8171399      0.2413373     0.6866695      0.2392693     103.4717 18.70642 92.41278 21.56813 0.000000       0.000000 
1 1 1 1  0  71  o 259.4040 11.45799 4.699213       0.4085927     4.390363       0.5751483     5.013907       0.5805646     248.9640 16.90943 266.6431 15.89760 0.000000       0.000000 
1 1 1 1  0  72  o 105.2477 12.55451 0.8015487      0.1755964     0.9488199      0.2482939     0.6541898      0.2483678     112.9738 17.06881 88.67982 23.47643 -0.000000      0.000000 
1 1 1 1  0  73  o 120.8115 12.16504 1.043789       0.1982180     1.055277       0.2791597     1.032107       0.2815001     118.9613 18.27731 117.2962 18.83710 -0.000000      0.000000 
1 1 1 1  0  74  o 218.0296 11.55662 3.326851       0.3456911     2.884769       0.4863690     3.778185       0.4914323     200.8458 17.86235 231.2928 15.54862 0.000000       0.000000 
1 1 1 1  0  75  o 132.8607 12.10450 1.255600       0.2178275     1.271554       0.3065909     1.239339       0.3095395     131.5106 17.80248 129.4845 18.38269 -0.000000      0.000000 
1 1 1 1  0  76  o 365.4612 11.67108 9.299004       0.5876055     9.519471       0.8330466     9.080690       0.8289679     368.2767 16.45643 359.5195 16.78180 -0.000000      0.000000 
1 1 1 1  0  77  o 143.8383 11.95434 1.465720       0.2336584     1.461659       0.3324454     1.469685       0.3284760     141.4519 17.78332 141.9960 17.46081 0.000000       0.000000 
1 1 1 1  0  78  o 214.4328 11.60351 3.219677       0.3412738     3.174578       0.4807360     3.265496       0.4845546     211.3101 16.71652 214.4125 16.59509 -0.000000      0.000000 
1 1 1 1  0  79  o 120.3666 14.49114 1.051253       0.2316028     1.054366       0.2820981     1.044816       0.4056607     118.7424 18.55637 110.7532 30.66828 -0.000000      0.000000 
1 1 1 1  0  80  o 210.5277 24.52694 3.259815       0.6877321     0.000000       0.000000      3.259815       0.6877321     210.5277 24.52694 210.5277 24.52694 0.000000       0.000000 
1 1 1 1  0  81  o 48.67300 22.46052 0.2431412      0.1661316     0.1896317      0.2305578     0.3009272      0.2395939     44.33202 24.90007 53.55326 26.67946 -0.000000      0.000000 
1 1 1 1  0  82  o 38.05631 18.69987 0.1495207      0.1170463     0.1634606      0.1471902     0.1255443      0.1930370     39.84557 20.66914 38.07316 22.18845 0.000000       0.000000 
1 1 1 1  0  83  o 127.4639 12.40319 1.161977       0.2135567     1.149170       0.3035038     1.174535       0.3005474     123.8310 19.10262 125.5612 18.51672 0.000000       0.000000 
1 1 1 1  0  84  o 89.41964 14.07819 0.5968317      0.1609488     0.6854035      0.2247031     0.5035136      0.2306451     93.18588 19.87399 74.34003 25.11586 -0.000000      0.000000 
1 1 1 1  0  85  o 102.9970 13.27252 0.7751479      0.1801451     0.7510414      0.2516500     0.8004855      0.2579959     96.98598 21.49376 100.7709 21.03670 -0.000000      0.000000 
1 1 1 1  0  86  o 113.9331 12.88734 0.9387264      0.1960580     1.143238       0.2756638     0.7293840      0.2789004     124.3908 16.93714 92.85141 25.16668 -0.000000      0.000000 
1 1 1 1  0  87  o 78.52875 16.01764 0.4806246      0.1536296     0.5513872      0.2211419     0.4146153      0.2135854     80.12348 23.04850 65.69725 25.01688 0.000000       0.000000 
1 1 1 1  0  88  o 279.4740 11.81487 5.469977       0.4540879     5.299633       0.6415660     5.640972       0.6427900     272.8976 17.18178 281.8960 16.64650 0.000000       0.000000 
1 1 1 1  0  89  o 72.43379 16.91067 0.4214177      0.1470386     0.5060799      0.2062038     0.3338361      0.2097289     76.52451 22.46172 57.02216 25.26102 -0.000000      0.000000 
1 1 1 1  0  90  o 86.93176 15.15352 0.5736413      0.1653471     0.5301319      0.2358308     0.6157092      0.2318913     76.53610 25.15085 85.74076 22.67073 0.000000       0.000000 
1 1 1 1  0  91  f 133.7187 12.71164 1.280842       0.2298371     1.251028       0.3233593     1.311285       0.3267447     129.0130 19.45988 132.4991 18.99039 -0.000000      0.000000 
1 1 1 1  0  92  o 87.88101 15.76048 0.5895635      0.1729477     0.5210993      0.2454596     0.6570603      0.2437195     74.75347 26.23251 88.73089 23.01825 0.000000       0.000000 
1 1 1 1  0  93  o 357.5540 12.03735 8.947483       0.5927800     9.512301       0.8450214     8.400241       0.8317707     366.4112 16.78188 343.7242 17.63078 -0.000000      0.000000 
1 1 1 1  0  94  o 27.27362 16.25403 0.5716091E-01  0.1076863     0.2012359      0.1513412     -0.9059037E-01 0.1532599     43.85170 21.31214 22.79092 15.56730 0.000000       0.000000 
1 1 1 1  0  95  o 91.05963 15.56590 0.6287993      0.1785500     0.4670129      0.2511476     0.7941388      0.2538906     68.68476 27.37336 100.2502 20.78869 0.000000       0.000000 
1 1 1 1  0  96  o 27.48459 16.41795 0.5735990E-01  0.1103758     -0.9561712E-01 0.1556969     0.2119114      0.1564961     22.82010 15.61456 44.97603 21.69799 0.000000       0.000000 
1 1 1 1  0  97  o 178.9090 12.49692 2.268479       0.3052664     2.305364       0.4310272     2.231358       0.4323998     177.9655 17.95942 174.7868 18.38109 -0.000000      0.000000 
1 1 1 1  0  98  o 48.59297 20.52886 0.2365153      0.1391831     0.1926487      0.1994960     0.2781166      0.1942771     43.24899 23.56765 51.36909 24.24331 0.000000       0.000000 
1 1 1 1  0  99  o 55.96228 23.02627 0.3127037      0.1760700     0.2829942      0.2134797     0.3759038      0.3113638     51.42317 25.25677 58.50859 30.13580 -0.000000      0.000000 
1 1 1 1  0  100 o 58.47878 30.26989 0.3784149      0.3151709     0.3784149      0.3151709     0.000000       0.000000      58.47878 30.26989 58.47878 30.26989 -0.000000      0.000000 
1 1 1 1  0  101 o 51.66481 28.73787 0.2857358      0.3035201     0.000000       0.000000      0.2857358      0.3035201     51.66481 28.73787 51.66481 28.73787 -0.000000      0.000000 
1 1 1 1  0  102 o 29.09855 18.07870 0.4666923E-01  0.1459151     -0.5402294E-01 0.1802895     0.2378616      0.2484322     26.49331 17.73725 47.19395 26.08978 0.000000       0.000000 
1 1 1 1  0  103 o 62.49990 21.57431 0.3651206      0.1677133     0.4926004      0.2453312     0.2532755      0.2297951     70.26492 26.82599 47.93482 25.55453 0.000000       0.000000 
1 1 1 1  0  104 o 23.34808 15.30481 -0.1140487E-01 0.1231628     -0.9238923E-01 0.1839243     0.5443207E-01  0.1658340     25.13288 17.13700 30.80045 19.19671 0.000000       0.000000 
1 1 1 1  0  105 o 64.75481 22.01424 0.3943148      0.1764321     0.3987674      0.2417896     0.3892441      0.2580262     60.16017 27.12939 58.55609 27.90449 -0.000000      0.000000 
1 1 1 1  0  106 o 27.66200 17.36995 0.3894712E-01  0.1384226     0.7494035E-01  0.2067387     0.9699587E-02  0.1863614     34.19026 21.36469 29.47117 19.14151 0.000000       0.000000 
1 1 1 1  0  107 o 56.90777 22.47053 0.3295408      0.1698079     0.6733897      0.2451525     0.1242015E-01  0.2354317     87.28909 23.53403 32.65481 21.31907 0.000000       0.000000 
1 1 1 1  0  108 o 81.14948 19.61116 0.5556552      0.1904990     0.5925158      0.2697590     0.5189868      0.2690550     76.27013 27.81111 69.06349 28.47231 -0.000000      0.000000 
1 1 1 1  0  109 o 55.37082 22.41020 0.3176762      0.1675719     0.2759343      0.2367817     0.3595600      0.2371837     48.31144 25.88062 55.55998 26.72248 0.000000       0.000000 
1 1 1 1  0  110 o 53.71560 22.33436 0.3033826      0.1651826     0.5800555      0.2342437     0.2971403E-01  0.2329684     78.43233 24.63303 33.03204 21.43459 0.000000       0.000000 
1 1 1 1  0  111 o 37.68371 20.51175 0.1570548      0.1509577     -0.4872972E-01 0.2127766     0.3656085      0.2142034     28.50871 19.14279 57.19565 25.53248 -0.000000      0.000000 
1 1 1 1  0  112 o 92.41762 18.42166 0.6926749      0.2086964     0.7505173      0.2971033     0.6363357      0.2932177     88.16424 27.77603 77.72313 29.22334 0.000000       0.000000 
1 1 1 1  0  113 o 54.14633 22.63752 0.3098553      0.1695402     0.4060194      0.2386540     0.2118780      0.2408937     59.78477 26.95327 43.47555 25.02514 0.000000       0.000000 
1 1 1 1  0  114 o 23.69669 15.64361 -0.1521205E-01 0.1322095     -0.7771061E-01 0.1861847     0.4835566E-01  0.1877704     25.46828 17.33104 31.25887 19.87706 0.000000       0.000000 
1 1 1 1  0  115 o 22.31147 14.90195 -0.2993246E-01 0.1259469     0.2170342      0.1790546     -0.2717867     0.1771916     43.33554 22.70933 19.27735 13.84657 0.000000       0.000000 
1 1 1 1  0  116 o 15.30556 10.89583 -0.1333639     0.1003882     -0.2424993     0.1395455     -0.1629895E-01 0.1445262     16.54215 11.94110 24.58467 16.27151 -0.000000      0.000000 
1 1 1 1  0  117 o 38.50969 21.30007 0.1708700      0.1656859     0.5306692E-01  0.1980499     0.4455831      0.3024378     31.61499 20.22497 58.29189 29.77219 -0.000000      0.000000 
1 1 1 1  0  118 o 32.20781 21.28090 0.1998907E-01  0.2455308     0.000000       0.000000      0.1998907E-01  0.2455308     32.20781 21.28090 32.20781 21.28090 0.000000       0.000000 
1 1 1 1  0  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  138 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  0   f 2885.545 40.91566 580.1413       16.29516      580.8948       23.06506      579.3903       23.02465      2874.102 58.17229 2870.397 58.14541 -0.000000      0.000000 
1 1 1 1  1  1   o 1539.262 20.67415 164.2985       4.394183      166.5397       5.452652      160.1463       7.421618      1547.960 25.50997 1513.254 35.51802 34.70630       43.72972 
1 1 1 1  1  2   o 1924.290 20.83651 256.7906       5.536475      257.3208       7.859649      256.2684       7.800206      1921.932 29.61605 1918.093 29.45089 3.839111       41.76680 
1 1 1 1  1  3   o 2771.840 27.90049 534.6866       10.67869      529.6397       14.93140      539.9707       15.27846      2747.978 39.35042 2774.054 39.88657 -26.07617      56.03030 
1 1 1 1  1  4   o 2145.744 22.63913 319.5523       6.707731      318.5476       9.442698      320.5756       9.530236      2136.795 32.00333 2143.449 32.19975 -6.653564      45.39865 
1 1 1 1  1  5   o 4283.456 41.56087 1289.220       24.58199      1292.208       34.88347      1286.274       34.64610      4249.890 59.44345 4240.813 59.16532 9.076172       83.86929 
1 1 1 1  1  6   o 3176.557 31.46671 703.7396       13.80212      703.9690       19.51850      703.5101       19.51980      3160.904 44.71952 3159.848 44.73745 1.055908       63.25563 
1 1 1 1  1  7   o 3267.185 32.24605 744.8442       14.54749      718.7901       19.60696      776.7524       21.69813      3194.386 44.45135 3316.194 47.38539 -121.8076      64.97151 
1 1 1 1  1  8   o 1228.978 15.69971 104.5426       2.664242      104.5418       3.764820      104.5435       3.770801      1227.422 22.21326 1227.423 22.24854 -0.6103516E-03 31.43925 
1 1 1 1  1  9   o 603.4787 10.02126 25.16978       0.8350692     25.12104       1.176022      25.21935       1.185973      602.5873 14.13375 603.7572 14.22573 -1.169922      20.05329 
1 1 1 1  1  10  o 266.2925 7.941297 4.898997       0.2920038     5.010322       0.4140401     4.788831       0.4118797     269.2170 11.13787 263.1931 11.33334 6.023834       15.89014 
1 1 1 1  1  11  o 1526.004 12.58580 161.0369       2.652006      160.8390       3.748181      161.2352       3.752831      1523.826 17.81341 1525.701 17.81359 -1.875366      25.19209 
1 1 1 1  1  12  o 606.2335 8.668646 25.39353       0.7256534     25.47839       1.028261      25.30933       1.024209      607.0110 12.26785 604.9944 12.26025 2.016602       17.34399 
1 1 1 1  1  13  o 705.7026 8.937089 34.41182       0.8708749     34.27308       1.229391      34.55156       1.233827      703.9893 12.64696 706.8440 12.64133 -2.854736      17.88152 
1 1 1 1  1  14  o 189.5509 7.883773 2.482202       0.2063469     2.746204       0.2930266     2.222508       0.2906254     199.0359 10.70126 178.8999 11.83163 20.13596       15.95320 
1 1 1 1  1  15  o 380.5155 8.011670 10.00320       0.4209528     9.860141       0.5932155     10.14831       0.5974413     377.6581 11.37563 383.1408 11.29273 -5.482697      16.02906 
1 1 1 1  1  16  o 1297.906 11.37975 116.4589       2.039454      114.4792       2.837194      118.5755       2.933672      1285.997 15.97758 1308.747 16.23372 -22.75000      22.77755 
1 1 1 1  1  17  o 101.0072 8.984268 0.7105463      0.1239981     0.7191633      0.1756688     0.7019898      0.1750525     101.1649 12.86667 99.91254 12.99617 1.252342       18.28802 
1 1 1 1  1  18  o 734.8495 11.36992 37.33208       1.153702      37.92912       1.501076      36.47037       1.803366      740.3738 14.68296 725.5932 17.99918 14.78064       23.22842 
1 1 1 1  1  19  o 717.8474 12.67806 35.63613       1.256675      40.59818       1.867793      31.53216       1.698639      765.6006 17.66805 674.6532 18.23403 90.94739       25.38976 
1 1 1 1  1  20  o 296.5516 11.04597 6.079314       0.4523161     6.238244       0.6418923     5.922564       0.6374737     299.8173 15.55832 292.0804 15.86551 7.736816       22.22107 
1 1 1 1  1  21  o 172.7628 8.892484 2.067811       0.2114150     1.993578       0.2990054     2.142026       0.2989667     169.2935 12.88769 175.5637 12.41247 -6.270142      17.89307 
1 1 1 1  1  22  o 547.4282 8.358982 20.70502       0.6318566     20.74164       0.8942608     20.66851       0.8929010     547.7142 11.82421 546.7478 11.82710 0.9664307      16.72400 
1 1 1 1  1  23  o 490.0504 8.214718 16.59177       0.5558677     16.63778       0.7868046     16.54592       0.7854285     490.5585 11.61551 489.2017 11.62735 1.356873       16.43518 
1 1 1 1  1  24  o 340.6115 7.880669 8.015042       0.3706469     8.009171       0.5240706     8.020917       0.5242772     340.3771 11.15043 340.6267 11.14665 -0.2496338     15.76641 
1 1 1 1  1  25  o 402.5175 7.995768 11.19349       0.4444090     11.37511       0.6301235     11.01374       0.6268678     405.6382 11.24991 399.1372 11.37407 6.500946       15.99781 
1 1 1 1  1  26  o 648.3810 8.671547 29.04744       0.7763631     29.28455       1.101081      28.81301       1.094832      650.7687 12.25334 645.5056 12.28314 5.263184       17.34993 
1 1 1 1  1  27  o 1403.391 11.85063 136.1758       2.296456      135.8749       3.241438      136.4789       3.253958      1400.818 16.75784 1403.921 16.78538 -3.103516      23.71865 
1 1 1 1  1  28  o 1070.594 10.28479 79.22041       1.520401      79.16078       2.149111      79.28018       2.151235      1069.601 14.55121 1070.407 14.55463 -0.8059082     20.58093 
1 1 1 1  1  29  o 468.1681 8.143790 15.14305       0.5264611     15.09955       0.7439777     15.18667       0.7450805     467.3323 11.52912 468.6795 11.51302 -1.347168      16.29326 
1 1 1 1  1  30  o 704.7413 8.876904 34.31842       0.8638319     34.09600       1.218697      34.54301       1.224610      702.1617 12.56958 706.7515 12.54854 -4.589783      17.76119 
1 1 1 1  1  31  o 1437.380 12.02686 142.8610       2.387052      142.8299       3.376165      142.8921       3.375438      1436.124 17.02526 1436.439 17.01786 -0.3146973     24.07212 
1 1 1 1  1  32  o 1567.121 12.69985 169.8463       2.748142      169.2430       3.874290      170.4572       3.898743      1563.003 17.95123 1568.585 18.00025 -5.582031      25.42156 
1 1 1 1  1  33  o 1225.275 10.99089 103.7850       1.859535      103.6189       2.627538      103.9516       2.632027      1223.506 15.55267 1225.468 15.55430 -1.962036      21.99595 
1 1 1 1  1  34  o 265.0121 7.783271 4.852004       0.2848170     4.796561       0.4024856     4.907616       0.4030991     263.4064 11.06588 266.4417 10.95650 -3.035309      15.57237 
1 1 1 1  1  35  o 340.6637 7.884418 8.017710       0.3708801     7.900173       0.5235459     8.136109       0.5254667     338.0418 11.21622 343.0575 11.09278 -5.015686      15.77508 
1 1 1 1  1  36  o 409.6842 8.018929 11.59612       0.4536318     11.38298       0.6396347     11.81181       0.6434469     405.7548 11.41643 413.3344 11.27388 -7.579590      16.04479 
1 1 1 1  1  37  o 243.3676 7.752486 4.091929       0.2605204     4.072584       0.3682804     4.111307       0.3685828     242.7086 10.98893 243.8611 10.94598 -1.152435      15.51035 
1 1 1 1  1  38  o 391.5809 8.060242 10.59445       0.4358204     10.80414       0.6173697     10.38615       0.6153217     395.2926 11.31068 387.5611 11.49805 7.731567       16.12875 
1 1 1 1  1  39  o 1453.174 14.00248 146.1379       2.809704      150.9070       4.087832      141.8673       3.868293      1474.872 20.07247 1430.180 19.58803 44.69214       28.04630 
1 1 1 1  1  40  o 560.9567 11.89650 21.76334       0.9214811     20.67745       1.284205      22.91583       1.323003      546.2835 17.02465 575.1358 16.65914 -28.85229      23.81944 
1 1 1 1  1  41  o 384.2451 13.04958 10.21574       0.6923774     10.30173       1.201196      10.17296       0.8472942     384.3502 22.73446 383.2291 16.01171 1.121124       27.80702 
1 1 1 1  1  42  o 804.4092 10.63926 44.74179       1.181752      45.15331       1.679762      44.33850       1.662865      807.4922 15.06508 800.1757 15.04990 7.316467       21.29451 
1 1 1 1  1  43  o 1101.561 10.43439 83.90295       1.587134      84.19100       2.250645      83.61800       2.238496      1102.617 14.78238 1098.865 14.75279 3.751831       20.88453 
1 1 1 1  1  44  o 312.8134 7.870950 6.761906       0.3399778     6.761338       0.4808477     6.762473       0.4807547     312.6596 11.13776 312.6860 11.13466 -0.2639771E-01 15.74898 
1 1 1 1  1  45  o 181.4647 7.767153 2.275580       0.1946220     2.303659       0.2751920     2.247482       0.2752822     182.1666 10.99178 179.9104 11.13586 2.256180       15.64694 
1 1 1 1  1  46  o 447.4963 8.175017 13.84064       0.5051451     13.81737       0.7138886     13.86396       0.7148784     446.8781 11.56920 447.6312 11.56575 -0.7530518     16.35888 
1 1 1 1  1  47  f 505.4620 8.287767 17.66035       0.5784476     17.62315       0.8177688     17.69761       0.8183284     504.6292 11.73600 505.6959 11.71926 -1.066711      16.58538 
1 1 1 1  1  48  o 438.4036 8.127191 13.28570       0.4919857     13.19124       0.6947929     13.38070       0.6967570     436.5739 11.52550 439.7025 11.47584 -3.128693      16.26444 
1 1 1 1  1  49  o 314.5649 7.913072 6.840166       0.3437110     6.841389       0.4861561     6.838945       0.4860053     314.3978 11.19846 314.3418 11.19698 0.5603027E-01  15.83597 
1 1 1 1  1  50  o 70.06641 8.545593 0.3445010      0.8096503E-01 0.3429977      0.1147143     0.3459932      0.1142906     69.32624 12.44058 69.65195 12.33482 -0.3257141     17.51901 
1 1 1 1  1  51  o 877.5742 9.526078 53.28279       1.154346      53.43782       1.634985      53.12871       1.630010      877.9260 13.48707 875.3838 13.48509 2.542175       19.07220 
1 1 1 1  1  52  o 357.5460 8.007867 8.840656       0.3953546     8.794822       0.5585445     8.886678       0.5596889     356.3232 11.35209 358.1828 11.31629 -1.859650      16.02898 
1 1 1 1  1  53  o 344.0157 7.989137 8.185827       0.3795038     8.210478       0.5367450     8.161186       0.5366540     344.2183 11.29266 343.1798 11.32491 1.038452       15.99305 
1 1 1 1  1  54  o 292.3257 7.912244 5.911851       0.3193777     5.872514       0.4512659     5.951329       0.4520718     291.0524 11.22854 293.0048 11.17364 -1.952423      15.84078 
1 1 1 1  1  55  o 84.83356 8.270520 0.5028090      0.9564881E-01 0.5101385      0.1351451     0.4954527      0.1353909     84.93591 11.84556 83.64319 12.07196 1.292725       16.91300 
1 1 1 1  1  56  o 230.6247 7.863573 3.681456       0.2504169     3.719610       0.3542273     3.643338       0.3540587     231.5282 11.08001 229.1306 11.19062 2.397583       15.74791 
1 1 1 1  1  57  o 159.7232 7.867142 1.766245       0.1735093     1.735345       0.2451213     1.797274       0.2456380     157.6851 11.33337 160.5151 11.15182 -2.830063      15.89994 
1 1 1 1  1  58  o 124.6172 8.007715 1.079957       0.1370627     1.106176       0.1939066     1.053776       0.1937652     125.6863 11.29347 122.6042 11.58265 3.082115       16.17716 
1 1 1 1  1  59  o 90.62641 9.581007 0.5762063      0.1180779     0.5638226      0.1663620     0.5887778      0.1676199     88.83680 14.02759 90.87217 13.79168 -2.035370      19.67190 
1 1 1 1  1  60  o 90.71204 17.22263 0.5967519      0.2078362     0.5289674      0.2972573     0.6615795      0.2907019     84.87789 24.18870 94.58720 22.57176 -9.709312      33.08440 
1 1 1 1  1  61  o 128.1680 16.66039 1.173952       0.2878789     1.069755       0.4090696     1.276188       0.4052024     119.7467 25.52016 131.8294 23.10190 -12.08274      34.42348 
1 1 1 1  1  62  o 88.44315 9.794431 0.5503766      0.1176057     0.5763053      0.1656613     0.5240315      0.1669857     89.73778 13.81223 85.28854 14.71056 4.449234       20.17866 
1 1 1 1  1  63  o 43.22986 10.13904 0.1352741      0.5947562E-01 0.8543177E-01  0.8439915E-01 0.1844420      0.8382622E-01 37.30314 13.16015 50.39437 12.18130 -13.09123      17.93247 
1 1 1 1  1  64  o 79.19628 8.659514 0.4408987      0.9315391E-01 0.4821622      0.1322190     0.4002284      0.1312651     82.23340 11.99740 74.51428 13.24289 7.719116       17.86930 
1 1 1 1  1  65  o 88.26642 8.545189 0.5463756      0.1028452     0.5669078      0.1456862     0.5259787      0.1452052     89.24303 12.13727 85.79488 12.63531 3.448143       17.52040 
1 1 1 1  1  66  o 296.0209 8.052014 6.086819       0.3291280     6.100611       0.4654814     6.073030       0.4654333     295.4559 11.40963 294.7794 11.43464 0.6764221      16.15335 
1 1 1 1  1  67  o 55.62041 9.728322 0.2216366      0.7199445E-01 0.1908604      0.1020517     0.2521296      0.1015810     51.28016 14.01331 58.86258 12.85768 -7.582428      19.01822 
1 1 1 1  1  68  o 126.0686 8.225599 1.108780       0.1424052     1.043737       0.2011838     1.174092       0.2015996     121.5441 12.15008 129.1404 11.42333 -7.596245      16.67683 
1 1 1 1  1  69  o 105.8721 8.420806 0.7836416      0.1220869     0.8566064      0.1730109     0.7112707      0.1723052     110.1472 11.54699 99.99361 12.77093 10.15359       17.21713 
1 1 1 1  1  70  o 272.5643 8.075330 5.158612       0.3039255     5.236814       0.4303278     5.080780       0.4293052     273.8527 11.38005 269.7023 11.52772 4.150391       16.19858 
1 1 1 1  1  71  o 220.5542 8.086255 3.377237       0.2462638     3.380468       0.3482372     3.374004       0.3483022     219.7413 11.51700 219.5264 11.53068 0.2148743      16.29717 
1 1 1 1  1  72  o 342.4602 8.184227 8.141901       0.3870132     8.277810       0.5484101     8.007067       0.5462350     344.3734 11.53288 338.6471 11.68138 5.726257       16.41530 
1 1 1 1  1  73  o 64.03399 9.844672 0.2917755      0.8425896E-01 0.2886346      0.1195554     0.2948752      0.1187688     62.94699 14.10447 63.65945 13.90098 -0.7124634     19.80337 
1 1 1 1  1  74  f 211.0081 8.138509 3.090217       0.2371276     3.128775       0.3357559     3.051846       0.3349436     211.4560 11.54279 208.8033 11.66368 2.652740       16.40968 
1 1 1 1  1  75  o 170.7019 8.179917 2.022473       0.1928080     1.945794       0.2725610     2.099277       0.2727826     166.5278 11.93239 173.1033 11.47741 -6.575500      16.55635 
1 1 1 1  1  76  o 124.7019 8.521636 1.084774       0.1458563     1.173417       0.2074421     0.9981023      0.2051212     129.1433 11.76181 118.8266 12.69802 10.31679       17.30837 
1 1 1 1  1  77  o 423.4265 8.375846 12.44847       0.4897164     12.53589       0.6934905     12.36152       0.6916403     423.7163 11.85297 420.7384 11.90502 2.977875       16.79948 
1 1 1 1  1  78  o 256.3243 8.177112 4.561216       0.2894194     4.609313       0.4098893     4.513392       0.4087151     256.9702 11.55170 254.2608 11.64135 2.709457       16.40008 
1 1 1 1  1  79  o 133.5650 9.777891 1.248319       0.1790799     1.224100       0.2535125     1.272441       0.2530026     131.2862 14.21117 133.9657 13.87840 -2.679459      19.86372 
1 1 1 1  1  80  o 115.6825 17.98632 0.9716528      0.2779750     0.9956457      0.4064920     0.9505773      0.3809790     114.4418 26.27808 112.1000 25.22258 2.341866       36.42411 
1 1 1 1  1  81  o 72.16432 19.28964 0.3853268      0.1959080     0.3943133      0.2802363     0.3767370      0.2739812     74.15592 23.99126 72.74026 23.73462 1.415665       33.74778 
1 1 1 1  1  82  o 129.3985 9.930224 1.174202       0.1760764     1.222506       0.2478265     1.124964       0.2502099     131.0997 13.90229 125.4795 14.72056 5.620186       20.24768 
1 1 1 1  1  83  o 171.2548 8.322838 2.039991       0.1968123     1.931146       0.2779913     2.149376       0.2786792     165.4780 12.25324 174.8064 11.61146 -9.328461      16.88099 
1 1 1 1  1  84  o 58.44114 10.83216 0.2463489      0.8419330E-01 0.2455925      0.1192934     0.2470996      0.1188425     57.82806 14.85956 58.00205 14.79224 -0.1739883     20.96704 
1 1 1 1  1  85  o 180.9019 8.323808 2.278351       0.2079232     2.257233       0.2938727     2.299519       0.2942233     178.8918 11.96583 180.5992 11.86441 -1.707397      16.85068 
1 1 1 1  1  86  o 90.72533 9.221587 0.5800533      0.1139182     0.6033915      0.1612670     0.5568089      0.1609428     91.63730 13.11925 87.80225 13.72403 3.835052       18.98588 
1 1 1 1  1  87  o 104.9314 8.983263 0.7735119      0.1289052     0.7922400      0.1822600     0.7547677      0.1823390     105.2934 12.79901 102.6365 13.16968 2.656898       18.36451 
1 1 1 1  1  88  o 131.8294 8.710527 1.216891       0.1576667     1.170137       0.2230053     1.263618       0.2229434     128.2341 12.76390 133.4595 12.23398 -5.225464      17.68015 
1 1 1 1  1  89  o 118.6292 8.907089 0.9872169      0.1448383     1.028831       0.2052650     0.9459523      0.2044024     120.2067 12.55166 115.0543 13.09958 5.152412       18.14230 
1 1 1 1  1  90  o 77.32991 10.06321 0.4252462      0.1049081     0.4655511      0.1490021     0.3856259      0.1477310     79.98071 14.00191 72.32526 15.27173 7.655457       20.71906 
1 1 1 1  1  91  o 45.36273 12.41061 0.1497552      0.7998899E-01 0.1901268      0.1137935     0.1103232      0.1124614     51.19741 15.07882 42.32692 15.16341 8.870487       21.38457 
1 1 1 1  1  92  o 78.67743 10.28339 0.4407538      0.1090453     0.4614515      0.1546069     0.4202654      0.1538227     79.40575 14.64003 75.52863 15.27417 3.877121       21.15728 
1 1 1 1  1  93  o 32.73247 12.24508 0.5763389E-01  0.7457562E-01 -0.9700180E-03 0.1054781     0.1162107      0.1054537     31.63627 13.54573 42.37863 14.72625 -10.74236      20.00873 
1 1 1 1  1  94  f 115.9222 9.330498 0.9453527      0.1480867     0.8858394      0.2090723     1.005271       0.2097820     110.9134 13.96063 118.5508 13.03021 -7.637474      19.09674 
1 1 1 1  1  95  o 126.9235 9.189878 1.131765       0.1599708     1.280404       0.2270692     0.9852951      0.2254057     134.1326 12.40021 116.9333 14.25516 17.19934       18.89378 
1 1 1 1  1  96  f 96.48053 9.955105 0.6589261      0.1307186     0.7077929      0.1851309     0.6103402      0.1845983     98.91953 13.94031 91.35046 15.16644 7.569069       20.59984 
1 1 1 1  1  97  o 51.96188 13.31581 0.1988184      0.9597754E-01 0.2050157      0.1361365     0.1926941      0.1353325     53.34302 16.65886 52.04340 16.65494 1.299614       23.55641 
1 1 1 1  1  98  o 118.1996 9.597694 0.9855648      0.1552938     1.204502       0.2194795     0.7660719      0.2197579     129.8837 12.38791 102.0596 16.12983 27.82417       20.33793 
1 1 1 1  1  99  o 71.21208 14.37349 0.3749123      0.1364648     0.5431873      0.1901154     0.1960595      0.1959997     85.28119 16.74220 55.10052 19.98151 30.18067       26.06841 
1 1 1 1  1  100 o 246.9715 12.50117 4.350367       0.4249313     3.916228       0.6056545     4.771256       0.5963410     229.2847 19.30961 255.2545 17.01686 -25.96979      25.73780 
1 1 1 1  1  101 o 72.26665 17.51047 0.3992221      0.1728976     0.2621669      0.2405789     0.5456265      0.2486490     61.41859 22.15823 83.18385 21.49372 -21.76527      30.87016 
1 1 1 1  1  102 o 69.70119 14.15480 0.3634090      0.1315827     0.2834697      0.1719222     0.4764567      0.2044479     60.97529 18.66819 78.13869 19.10767 -17.16340      26.71338 
1 1 1 1  1  103 o ?        ?        -0.2388258     0.5990943E-01 -0.1987361     0.9053216E-01 -0.2700587     0.7990836E-01 19.00121 9.393655 15.28867 7.732638 3.712541       12.16694 
1 1 1 1  1  104 o 43.30978 14.74003 0.1317968      0.1054721     0.3090473      0.1501587     -0.4081580E-01 0.1481812     62.94714 16.91406 34.24248 15.30722 28.70466       22.81220 
1 1 1 1  1  105 o 33.24254 13.42622 0.4349404E-01  0.9524706E-01 0.2083950E-01  0.1357339     0.6547105E-01  0.1336888     36.25006 15.43957 39.20840 15.88170 -2.958332      22.14969 
1 1 1 1  1  106 o 37.23233 14.21999 0.7943714E-01  0.1017823     0.1966561      0.1446387     -0.3554992E-01 0.1432551     51.07691 17.26183 33.62894 15.04053 17.44798       22.89516 
1 1 1 1  1  107 o 30.41004 12.89369 0.1449674E-01  0.9391742E-01 -0.6671005E-01 0.1329524     0.9537909E-01  0.1326866     30.63852 14.01492 41.18296 16.09915 -10.54445      21.34480 
1 1 1 1  1  108 o 40.16879 14.42364 0.1098059      0.1018116     0.8102101E-01  0.1430261     0.1393745      0.1449600     40.78015 16.45893 45.56913 17.06722 -4.788979      23.71047 
1 1 1 1  1  109 o 72.54118 13.51362 0.4034328      0.1303807     0.3599820      0.1833981     0.4478327      0.1853903     65.72955 19.08149 73.76182 18.29171 -8.032265      26.43274 
1 1 1 1  1  110 o 74.73428 13.03348 0.4255730      0.1296079     0.4600002      0.1821350     0.3902558      0.1844738     74.93299 17.85640 68.35056 18.90816 6.582428       26.00711 
1 1 1 1  1  111 o 68.70744 13.52334 0.3637325      0.1237316     0.2137967      0.1724208     0.5229233      0.1776626     52.67500 18.78551 80.91405 16.46157 -28.23906      24.97757 
1 1 1 1  1  112 o 39.00926 14.32277 0.1003599      0.1011547     0.1902049      0.1411243     0.5426270E-02  0.1450658     49.81608 17.04977 35.80350 15.60782 14.01258       23.11490 
1 1 1 1  1  113 o 27.98241 12.36965 -0.1661773E-01 0.9405950E-01 -0.1527959     0.1318189     0.1246405      0.1342550     26.63826 12.73090 43.49752 16.39848 -16.85925      20.76020 
1 1 1 1  1  114 o 40.68909 14.59309 0.1149102      0.1041885     0.2031571      0.1467196     0.2514285E-01  0.1479781     51.08019 17.38496 37.23102 15.99550 13.84917       23.62399 
1 1 1 1  1  115 o 31.22541 13.10262 0.2511867E-01  0.9537668E-01 0.2781241E-02  0.1330276     0.4874730E-01  0.1368183     34.16044 14.91735 37.54736 15.72076 -3.386921      21.67186 
1 1 1 1  1  116 o 29.00527 12.43754 0.9461563E-02  0.8916128E-01 0.3343520E-01  0.1258938     -0.1466446E-01 0.1262933     35.19217 14.92511 32.15721 14.26829 3.034962       20.64807 
1 1 1 1  1  117 o 36.31559 14.36434 0.7467897E-01  0.1067396     0.4192466E-01  0.1489872     0.1092205      0.1529979     37.60189 16.09943 42.42822 17.05851 -4.826328      23.45601 
1 1 1 1  1  118 o 48.37868 19.74354 0.1735315      0.2084664     0.1310882      0.3279193     0.2023191      0.2700637     50.49751 22.65815 51.68043 21.88561 -1.182926      31.50193 
1 1 1 1  1  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  138 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  0   o 715.2602 25.67869 35.57649       2.528735      35.57649       2.528735      0.000000       0.000000      715.2602 25.67869 715.2602 25.67869 -0.000000      0.000000 
1 1 1 1  2  1   o 1452.330 19.96588 146.2218       4.003979      145.2852       4.891610      148.1235       6.970119      1446.183 24.49574 1455.775 34.67432 -9.591797      42.45409 
1 1 1 1  2  2   o 1738.588 19.38062 209.4946       4.652671      206.7747       6.484283      212.3811       6.679814      1724.039 27.23810 1747.034 27.69013 -22.99487      38.84144 
1 1 1 1  2  3   o 218.7012 11.06333 3.314850       0.3330128     3.320099       0.4717635     3.309637       0.4701432     218.4507 15.74543 218.1075 15.71599 0.3432159      22.24659 
1 1 1 1  2  4   o 1697.306 19.06196 199.6389       4.467511      198.3633       6.275531      200.9497       6.361372      1688.760 26.91192 1699.643 27.10535 -10.88367      38.19622 
1 1 1 1  2  5   o 663.2854 12.44860 30.42282       1.140142      30.19848       1.608772      30.64918       1.616061      660.3063 17.64456 665.2216 17.59355 -4.915283      24.91714 
1 1 1 1  2  6   o 287.9312 11.18239 5.731162       0.4445917     5.670029       0.6291618     5.792133       0.6283341     285.7540 16.00972 288.8444 15.81398 -3.090332      22.50318 
1 1 1 1  2  7   o 2007.106 21.51064 279.4523       5.961582      276.1771       8.316540      282.9143       8.550218      1990.708 30.25499 2014.542 30.73710 -23.83374      43.12927 
1 1 1 1  2  8   f 398.4153 11.48361 10.97408       0.6317604     11.10883       0.8943307     10.83986       0.8925603     400.5879 16.16822 395.6974 16.33565 4.890442       22.98401 
1 1 1 1  2  9   o 1669.371 18.88158 193.1086       4.352403      193.2361       6.162354      192.9818       6.148125      1666.850 26.77394 1665.773 26.72938 1.077026       37.83257 
1 1 1 1  2  10  f 582.9885 12.15191 23.50101       0.9782333     23.24025       1.381218      23.76345       1.385654      579.2979 17.26722 585.7966 17.13050 -6.498657      24.32305 
1 1 1 1  2  11  o 611.2844 12.27167 25.83845       1.035821      25.33801       1.455757      26.35161       1.474161      604.8604 17.42994 616.8534 17.30713 -11.99304      24.56297 
1 1 1 1  2  12  o 1298.648 22.94130 117.0671       4.113840      116.8496       5.804420      117.2866       5.831372      1293.945 32.48666 1296.323 32.57763 -2.378296      46.00745 
1 1 1 1  2  13  o 434.5643 16.41960 13.07431       0.9852684     12.22728       1.376269      13.96482       1.411145      418.9359 23.89027 447.9601 22.89006 -29.02426      33.08625 
1 1 1 1  2  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  15  o 565.0777 17.04681 22.11169       1.330115      22.45424       1.889179      21.77496       1.873059      568.5969 24.06194 559.9075 24.22686 8.689392       34.14554 
1 1 1 1  2  16  o 858.3203 15.52170 50.98983       1.839614      52.50433       3.229024      50.26205       2.238397      868.8175 26.91564 851.6417 19.03453 17.17578       32.96612 
1 1 1 1  2  17  o 258.5236 9.155797 4.618315       0.3268393     4.774623       0.4624693     4.462344       0.4619722     262.7556 12.74656 253.6572 13.23545 9.098343       18.37531 
1 1 1 1  2  18  o 491.9803 9.670770 16.72717       0.6569718     16.89559       0.9293487     16.55894       0.9288481     494.2165 13.61832 489.2590 13.74890 4.957520       19.35176 
1 1 1 1  2  19  f 243.0686 7.976524 4.081794       0.2677198     4.160781       0.3788190     4.002980       0.3784073     245.3313 11.18255 240.6283 11.38872 4.702942       15.96096 
1 1 1 1  2  20  o 531.1839 8.501663 19.49496       0.6235722     19.66760       0.8845409     19.32439       0.8792120     533.3322 12.01108 528.6561 12.04432 4.676025       17.00975 
1 1 1 1  2  21  o 449.8729 8.359334 13.98305       0.5192775     14.50069       0.7399899     13.48084       0.7288746     457.9653 11.70187 441.5534 11.95451 16.41196       16.72854 
1 1 1 1  2  22  o 833.6783 9.511303 48.02999       1.094905      47.81636       1.546586      48.24463       1.550280      831.4300 13.47132 835.1484 13.44338 -3.718384      19.03158 
1 1 1 1  2  23  o 1712.505 13.60466 202.8645       3.217048      196.5607       4.415748      209.9952       4.696398      1684.155 18.98822 1740.566 19.54053 -56.41150      27.24674 
1 1 1 1  2  24  o 503.8089 9.309693 17.54007       0.6476483     17.20405       0.8524735     17.99878       0.9960133     498.7872 12.37735 510.0537 14.14201 -11.26651      18.79349 
1 1 1 1  2  25  o 409.4990 9.214354 11.58773       0.5210216     12.25819       0.6943488     10.72373       0.7882170     421.0526 11.94272 393.6798 14.49989 27.37277       18.78498 
1 1 1 1  2  26  o 804.3904 9.356677 44.71360       1.039265      45.68664       1.486115      43.78230       1.453902      812.7224 13.24256 795.6049 13.23426 17.11755       18.72194 
1 1 1 1  2  27  o 266.6426 8.036268 4.912037       0.2958843     5.200462       0.4204188     4.628968       0.4164960     274.2749 11.10090 258.7488 11.65721 15.52612       16.09722 
1 1 1 1  2  28  o 661.1031 8.843593 30.19981       0.8073018     30.83366       1.147884      29.57945       1.135610      667.7349 12.44961 654.0024 12.57511 13.73242       17.69537 
1 1 1 1  2  29  o 372.5227 8.053491 9.587638       0.4142618     10.06033       0.5886521     9.123823       0.5830967     381.4742 11.17521 363.2653 11.62462 18.20892       16.12504 
1 1 1 1  2  30  o 362.7659 8.018935 9.091970       0.4016809     9.013193       0.5666615     9.171534       0.5694742     361.0664 11.36576 364.2260 11.32309 -3.159607      16.04347 
1 1 1 1  2  31  f 276.7099 7.917553 5.289909       0.3025197     5.256685       0.4273202     5.323292       0.4283366     275.7465 11.22291 277.4894 11.17895 -1.742920      15.84053 
1 1 1 1  2  32  o 595.9135 8.638507 24.53704       0.7108204     24.12813       0.9998779     24.95487       1.010713      590.6875 12.25889 600.7278 12.18463 -10.04034      17.28426 
1 1 1 1  2  33  o 959.3779 9.868630 63.61262       1.307328      62.33097       1.826118      64.96008       1.872433      949.1697 13.93308 968.9718 13.99450 -19.80212      19.74782 
1 1 1 1  2  34  o 816.9916 9.305999 46.12744       1.049829      45.85602       1.480382      46.40202       1.489021      814.1938 13.16764 819.0270 13.16633 -4.833130      18.62092 
1 1 1 1  2  35  o 417.7031 8.193803 12.05521       0.4725973     11.80663       0.6662502     12.30696       0.6704769     413.2116 11.67688 421.8855 11.50936 -8.673920      16.39558 
1 1 1 1  2  36  o 401.9948 9.344363 11.16841       0.5186903     11.72265       0.7403315     10.63406       0.7269300     411.6510 13.02444 392.0476 13.42814 19.60342       18.70697 
1 1 1 1  2  37  o 540.5172 10.67521 20.19866       0.7967538     19.81547       1.023730      20.78738       1.268897      535.1147 13.85481 547.7864 16.77556 -12.67175      21.75718 
1 1 1 1  2  38  o 259.8347 11.15400 4.668431       0.4001894     5.446168       0.5716751     3.921070       0.5604001     280.0900 14.83420 237.2594 17.22292 42.83055       22.73065 
1 1 1 1  2  39  o 322.0740 11.27717 7.173420       0.5015265     7.141393       0.7111409     7.205112       0.7074049     321.0872 16.03964 322.5267 15.88417 -1.439514      22.57381 
1 1 1 1  2  40  o 283.2213 8.445538 5.543323       0.3302868     5.378829       0.4363075     5.764110       0.5054820     278.8821 11.33011 288.6354 12.68288 -9.753296      17.00667 
1 1 1 1  2  41  o 240.6950 7.845559 4.003227       0.2607528     4.051737       0.3691400     3.954916       0.3683814     242.0483 11.04463 239.1348 11.15622 2.913544       15.69857 
1 1 1 1  2  42  o 650.0172 8.747309 29.20365       0.7851223     29.07671       1.108665      29.33135       1.112004      648.2437 12.38579 651.0779 12.36902 -2.834229      17.50430 
1 1 1 1  2  43  o 425.3819 8.154122 12.50558       0.4789545     12.59807       0.6780353     12.41347       0.6766547     426.7390 11.50673 423.5963 11.56850 3.142700       16.31671 
1 1 1 1  2  44  o 386.2303 8.126974 10.31002       0.4334243     10.51118       0.6145394     10.11092       0.6113818     389.7798 11.41806 382.2750 11.58240 7.504852       16.26420 
1 1 1 1  2  45  o 398.1369 8.111156 10.95617       0.4459160     11.14514       0.6322657     10.76915       0.6289881     401.3362 11.40915 394.4978 11.54675 6.838379       16.23257 
1 1 1 1  2  46  o 394.3392 8.087974 10.74884       0.4404004     10.78451       0.6231731     10.71325       0.6224679     394.7601 11.43240 393.4518 11.45744 1.308380       16.18557 
1 1 1 1  2  47  o 456.5527 8.225355 14.40983       0.5185415     14.41906       0.7334874     14.40061       0.7331697     456.3995 11.63883 456.1071 11.64125 0.2923584      16.46151 
1 1 1 1  2  48  o 389.1907 8.091671 10.47188       0.4348491     10.50161       0.6150207     10.44216       0.6149184     389.4783 11.43585 388.3715 11.46653 1.106842       16.19445 
1 1 1 1  2  49  o 328.8595 7.985151 7.477368       0.3626031     7.520567       0.5129678     7.434227       0.5126287     329.5748 11.27193 327.6727 11.32986 1.902069       15.98193 
1 1 1 1  2  50  o 139.1471 7.948500 1.343206       0.1520870     1.319764       0.2149070     1.366725       0.2152603     137.5690 11.41653 140.0338 11.22691 -2.464813      16.01189 
1 1 1 1  2  51  o 289.6109 7.935493 5.800763       0.3173414     5.816254       0.4488415     5.785280       0.4487357     289.7488 11.21846 288.9738 11.24590 0.7749939      15.88472 
1 1 1 1  2  52  o 180.9436 7.879252 2.264793       0.1968640     2.324838       0.2784967     2.204825       0.2783188     182.8230 11.08428 177.9874 11.38403 4.835556       15.88891 
1 1 1 1  2  53  o 441.3824 8.216993 13.48181       0.5008019     13.39113       0.7073465     13.57296       0.7091384     439.3787 11.65884 442.3602 11.60959 -2.981567      16.45330 
1 1 1 1  2  54  o 147.6373 7.961426 1.512920       0.1617025     1.563336       0.2286294     1.462457       0.2287343     149.7113 11.13934 144.7163 11.54260 4.995041       16.04109 
1 1 1 1  2  55  f 163.5811 7.915185 1.852399       0.1787855     1.877525       0.2528323     1.827269       0.2528494     164.0881 11.22623 161.8439 11.38684 2.244186       15.99026 
1 1 1 1  2  56  o 152.2353 7.977833 1.609210       0.1671186     1.513393       0.2358573     1.705817       0.2368284     147.1256 11.70659 156.3556 11.04034 -9.230042      16.09141 
1 1 1 1  2  57  f 81.97903 9.237296 0.4718601      0.1027424     0.4272744      0.1359694     0.5311977      0.1568586     77.26617 13.21942 86.28481 13.61712 -9.018631      18.97838 
1 1 1 1  2  58  o 61.76073 11.68101 0.2740355      0.9596723E-01 0.2831355      0.1240923     0.2604944      0.1513738     62.42019 14.64902 60.20150 17.29504 2.218689       22.66522 
1 1 1 1  2  59  o 128.5847 11.56602 1.160419       0.2031604     1.148140       0.2901869     1.172222       0.2845213     126.7129 17.01507 128.1953 16.45300 -1.482475      23.66883 
1 1 1 1  2  60  o 233.3451 11.28850 3.793238       0.3637249     3.768717       0.5144208     3.817752       0.5143486     230.9528 16.23403 232.4938 16.12126 -1.540970      22.87879 
1 1 1 1  2  61  o 126.1737 9.422269 1.112535       0.1629737     1.108029       0.2296601     1.117106       0.2313080     125.1268 13.50640 125.6347 13.54781 -0.5078583     19.13024 
1 1 1 1  2  62  o 281.9305 8.004208 5.516517       0.3116007     5.438405       0.4401381     5.595008       0.4412037     279.1745 11.41761 283.2007 11.28254 -4.026154      16.05172 
1 1 1 1  2  63  o 204.6104 7.968836 2.906364       0.2251440     2.867480       0.3180267     2.945433       0.3187782     202.3405 11.42939 205.1132 11.29888 -2.772675      16.07158 
1 1 1 1  2  64  o 186.3975 7.978078 2.412631       0.2053413     2.454733       0.2906258     2.370662       0.2901676     187.1481 11.29932 183.8582 11.48707 3.289886       16.11296 
1 1 1 1  2  65  o 287.2003 8.038160 5.729467       0.3187716     5.761142       0.4511152     5.697878       0.4505076     287.1223 11.37844 285.5269 11.42661 1.595398       16.12564 
1 1 1 1  2  66  o 139.0241 8.149087 1.347266       0.1557527     1.298373       0.2199460     1.396445       0.2205905     135.7429 11.85330 140.9073 11.43612 -5.164398      16.47075 
1 1 1 1  2  67  o 453.7725 8.337753 14.30715       0.5224264     14.24632       0.7383909     14.36814       0.7392550     451.3472 11.84780 453.2909 11.81080 -1.943634      16.72917 
1 1 1 1  2  68  o 154.7005 8.118790 1.666554       0.1728229     1.622910       0.2441228     1.710404       0.2446951     151.9494 11.72582 156.0818 11.43320 -4.132401      16.37721 
1 1 1 1  2  69  o 153.7482 8.131423 1.645996       0.1720155     1.641392       0.2432726     1.650600       0.2432607     152.8621 11.61219 153.3012 11.57718 -0.4391022     16.39738 
1 1 1 1  2  70  o 305.1404 8.096743 6.464284       0.3411521     6.466195       0.4825663     6.462378       0.4823575     304.3339 11.48335 304.2445 11.48176 0.8932495E-01  16.23878 
1 1 1 1  2  71  o 270.8351 8.073590 5.091389       0.3019323     4.950640       0.4260674     5.233373       0.4279323     266.3153 11.58629 273.8834 11.31544 -7.568115      16.19510 
1 1 1 1  2  72  o 299.5828 8.112824 6.229131       0.3356038     6.210978       0.4744162     6.247313       0.4748150     298.3523 11.51575 299.2303 11.49161 -0.8780823     16.26867 
1 1 1 1  2  73  o 97.34808 8.725585 0.6634215      0.1160449     0.6437912      0.1639324     0.6831381      0.1642927     95.12561 12.80579 98.12411 12.40261 -2.998497      17.82731 
1 1 1 1  2  74  o 205.3188 8.105879 2.925632       0.2298089     2.997797       0.3253888     2.853810       0.3246103     207.0017 11.42816 201.8919 11.69416 5.109802       16.35103 
1 1 1 1  2  75  o 238.3987 8.118186 3.944454       0.2672396     4.010870       0.3783866     3.878355       0.3774827     239.7842 11.42818 235.7540 11.59578 4.030228       16.28083 
1 1 1 1  2  76  o 203.6969 8.133116 2.879999       0.2287596     2.880901       0.3236009     2.879098       0.3234290     202.8514 11.60113 202.7884 11.59857 0.6298828E-01  16.40467 
1 1 1 1  2  77  o 192.5089 8.166667 2.572776       0.2170869     2.523595       0.3070517     2.621927       0.3069628     189.7461 11.77744 193.4771 11.54251 -3.731049      16.49054 
1 1 1 1  2  78  o 95.50272 10.33188 0.6427336      0.1340771     0.6394358      0.1885785     0.6461048      0.1906661     94.22897 14.99592 94.70739 15.08589 -0.4784241     21.27115 
1 1 1 1  2  79  o 266.2311 16.62127 5.035795       0.6079726     4.304269       0.8593262     5.768948       0.8602808     241.0196 26.24490 281.9396 22.27917 -40.92001      34.42609 
1 1 1 1  2  80  o 99.59205 18.86597 0.7293445      0.2499451     0.6262497      0.3610437     0.8242266      0.3463647     91.08063 26.86845 104.3652 24.46111 -13.28458      36.33538 
1 1 1 1  2  81  o 205.8020 9.530496 2.951076       0.2708340     2.954457       0.3812868     2.947633       0.3847712     204.5402 13.57720 204.2538 13.72218 0.2863922      19.30385 
1 1 1 1  2  82  o 69.04937 10.27242 0.3399275      0.9495900E-01 0.2731560      0.1342719     0.4067394      0.1343127     60.95689 15.81628 74.94469 13.47427 -13.98780      20.77765 
1 1 1 1  2  83  o 189.4303 8.315454 2.497154       0.2175071     2.492445       0.3075717     2.501866       0.3076314     188.1188 11.90202 188.4824 11.88093 -0.3635712     16.81709 
1 1 1 1  2  84  o 175.6052 8.360336 2.147008       0.2027212     2.098901       0.2864974     2.195247       0.2868852     172.4360 12.10925 176.4492 11.84339 -4.013138      16.93812 
1 1 1 1  2  85  o 74.80915 10.09901 0.3980915      0.1016547     0.2718133      0.1433986     0.5256556      0.1441270     60.71670 16.61926 85.56021 12.57442 -24.84351      20.84025 
1 1 1 1  2  86  f 250.6680 8.319134 4.376713       0.2879486     4.541262       0.4082943     4.213884       0.4061557     254.2705 11.62892 244.7927 12.01589 9.477844       16.72165 
1 1 1 1  2  87  o 185.1422 8.425422 2.388511       0.2153947     2.347450       0.3044835     2.429642       0.3047449     182.2558 12.16881 185.5039 11.96096 -3.248169      17.06296 
1 1 1 1  2  88  o 168.4656 8.558990 1.983447       0.1984461     2.058356       0.2811934     1.909119       0.2801000     170.6399 12.01062 164.1641 12.44921 6.475739       17.29849 
1 1 1 1  2  89  o 108.8518 9.255652 0.8332761      0.1377970     0.8477697      0.1954015     0.8189377      0.1943515     108.7729 13.28590 106.8271 13.47533 1.945702       18.92352 
1 1 1 1  2  90  o 107.8810 9.381656 0.8192058      0.1383620     0.9076171      0.1964066     0.7321026      0.1949483     112.6975 12.85112 100.5991 14.44894 12.09834       19.33709 
1 1 1 1  2  91  o 163.7230 8.697537 1.875495       0.1959220     1.863747       0.2773802     1.887191       0.2767719     162.0784 12.49030 163.1390 12.37873 -1.060623      17.58523 
1 1 1 1  2  92  o 130.6209 9.145526 1.197679       0.1639120     1.161782       0.2317035     1.233641       0.2319098     127.4582 13.36399 131.5179 12.93759 -4.059677      18.60047 
1 1 1 1  2  93  o 239.7173 8.544085 4.009487       0.2828153     4.125398       0.4006309     3.894347       0.3992949     241.9291 11.99274 234.6014 12.36981 7.327682       17.22898 
1 1 1 1  2  94  o 61.35456 12.77699 0.2755101      0.1047296     0.3534102      0.1479435     0.1972583      0.1482771     68.97696 15.86379 53.10475 17.46706 15.87221       23.59572 
1 1 1 1  2  95  o 66.28379 12.33415 0.3196326      0.1087352     0.2910250      0.1536856     0.3483068      0.1538642     62.52879 17.24221 68.33038 16.49507 -5.801590      23.86171 
1 1 1 1  2  96  o 79.64324 11.23474 0.4548290      0.1201202     0.4270874      0.1695350     0.4827946      0.1702182     75.65022 16.67852 80.78453 15.82558 -5.134308      22.99178 
1 1 1 1  2  97  o 94.88799 10.50731 0.6402525      0.1353596     0.6618614      0.1908239     0.6183681      0.1920365     95.12085 15.02757 91.63703 15.74394 3.483818       21.76464 
1 1 1 1  2  98  o 62.06198 15.31682 0.2874367      0.1304609     0.2868917      0.1796002     0.2880455      0.1898232     62.15545 19.08900 62.45329 19.69743 -0.2978401     27.42952 
1 1 1 1  2  99  o 83.16582 16.86269 0.5194026      0.1870198     0.6683464      0.2800141     0.3994547      0.2512841     92.41732 22.21687 72.20248 22.64670 20.21484       31.72479 
1 1 1 1  2  100 o 96.51552 17.02597 0.6998917      0.2186128     1.333803       0.4432719     0.4961531      0.2513001     128.3861 25.89775 79.30376 22.11558 49.08237       34.05572 
1 1 1 1  2  101 o 76.09229 14.88711 0.4338911      0.1508168     0.3821931      0.2038312     0.4964347      0.2241945     69.94475 20.06203 79.39040 20.35510 -9.445656      28.57998 
1 1 1 1  2  102 o 76.07859 13.05829 0.4284537      0.1322383     0.4320151      0.1864485     0.4248488      0.1875830     74.38089 18.28283 73.69024 18.47088 0.6906509      25.98914 
1 1 1 1  2  103 o 87.92004 12.46595 0.5688804      0.1471006     0.6302072      0.2078067     0.5072872      0.2082574     90.24129 17.30660 79.86171 19.13591 10.37959       25.80119 
1 1 1 1  2  104 o 68.08081 15.15954 0.3571144      0.1388513     0.3603970      0.1860448     0.3529869      0.2086193     66.95521 19.15529 66.03548 20.62213 0.9197311      28.14600 
1 1 1 1  2  105 o 71.33720 14.45290 0.3906446      0.1374888     0.5124777      0.1954083     0.2712007      0.1934829     79.94394 18.12034 58.71413 19.96424 21.22981       26.96141 
1 1 1 1  2  106 o 51.69637 15.63194 0.2074865      0.1210717     0.2140096      0.1728908     0.2012094      0.1695992     53.24481 18.83000 52.07370 18.62477 1.171108       26.48492 
1 1 1 1  2  107 o 48.80339 15.62461 0.1826532      0.1190967     0.3466603      0.1703428     0.2581820E-01  0.1665766     65.10101 18.22694 39.31740 16.93242 25.78361       24.87827 
1 1 1 1  2  108 o 41.56231 15.28706 0.1155358      0.1153060     0.1492849      0.1641056     0.8262744E-01  0.1620486     47.32257 18.06031 42.35588 17.36028 4.966698       25.05104 
1 1 1 1  2  109 o 54.74581 15.67355 0.2379505      0.1245142     0.3778838      0.1767287     0.1000233      0.1754574     67.52790 18.43587 44.41277 18.11771 23.11513       25.84826 
1 1 1 1  2  110 o 47.01888 15.37213 0.1689578      0.1149066     0.3090028      0.1622342     0.2798301E-01  0.1627719     61.31827 17.98878 38.87471 16.73987 22.44357       24.57274 
1 1 1 1  2  111 f 52.27658 15.16595 0.2153215      0.1158881     0.2154607      0.1639767     0.2151825      0.1638044     52.63733 18.35928 52.60937 18.34962 0.2795792E-01  25.95711 
1 1 1 1  2  112 o 35.58998 14.03252 0.6533297E-01  0.1015633     -0.4574805E-01 0.1429308     0.1786214      0.1443439     32.76297 14.80643 48.83105 17.21220 -16.06808      22.70441 
1 1 1 1  2  113 o 28.40368 12.49531 -0.1203180E-01 0.9487133E-01 0.1251096E-01  0.1323316     -0.3798600E-01 0.1360836     34.82341 15.04417 32.31245 14.53932 2.510956       20.92174 
1 1 1 1  2  114 o 70.63450 13.81342 0.3872049      0.1299004     0.2981489      0.1825112     0.4786332      0.1849263     59.70738 19.36599 76.12668 17.89432 -16.41930      26.36756 
1 1 1 1  2  115 f 31.53845 13.23057 0.2722017E-01  0.9720775E-01 -0.1416520E-01 0.1362608     0.7011106E-01  0.1387171     33.40221 14.82068 39.07849 16.04469 -5.676277      21.84227 
1 1 1 1  2  116 o 26.94544 12.22922 -0.3874565E-01 0.9873544E-01 -0.1383837E-01 0.1350414     -0.6735405E-01 0.1447273     33.03185 14.70043 31.41628 14.46298 1.615576       20.62233 
1 1 1 1  2  117 o 39.20522 17.27650 0.2945780E-01  0.1820799     -0.1754315     0.2878490     0.1661211      0.2350883     39.61060 18.89784 49.20423 20.60474 -9.593632      27.95860 
1 1 1 1  2  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  1   o 696.9430 18.16469 33.64927       1.748088      33.64927       1.748088      0.000000       0.000000      696.9430 18.16469 ?        ?        0.000000       18.16469 
1 1 1 1  3  2   o 1358.395 23.49895 128.1217       4.407703      128.1217       4.407703      0.000000       0.000000      1358.395 23.49895 ?        ?        0.000000       23.49895 
1 1 1 1  3  3   o 1287.878 16.07464 114.8184       2.858602      112.8172       3.974447      116.9632       4.114540      1274.960 22.57574 1298.061 22.95557 -23.10083      32.19662 
1 1 1 1  3  4   o 1005.687 14.26937 69.97508       1.981552      71.53095       2.841608      68.50235       2.764652      1015.726 20.26047 994.0151 20.14232 21.71100       28.56921 
1 1 1 1  3  5   o 1064.570 14.62674 78.41742       2.150105      80.03076       3.083974      76.89153       2.999212      1074.260 20.79043 1053.017 20.62690 21.24316       29.28670 
1 1 1 1  3  6   o 1164.910 15.27502 93.91519       2.457039      94.07998       3.474599      93.75037       3.474958      1164.533 21.60801 1162.481 21.64840 2.052246       30.58691 
1 1 1 1  3  7   o 696.2834 12.63982 33.52703       1.215248      34.36565       1.734732      32.71886       1.702949      704.3639 17.83600 687.2665 17.94480 17.09741       25.30096 
1 1 1 1  3  8   o 709.8199 12.69109 34.84379       1.243899      34.16987       1.747640      35.53573       1.770866      702.3303 18.02074 716.2450 17.90549 -13.91467      25.40381 
1 1 1 1  3  9   o 214.4980 11.13755 3.189155       0.3287409     3.207671       0.4657026     3.170765       0.4641210     214.6904 15.82082 213.4414 15.86095 1.248978       22.40241 
1 1 1 1  3  10  o 488.1215 11.76799 16.47345       0.7931736     16.23215       1.117429      16.71847       1.126054      484.1819 16.71373 491.3914 16.59563 -7.209534      23.55342 
1 1 1 1  3  11  o 421.5963 11.55977 12.28855       0.6729518     12.41333       0.9516134     12.16373       0.9517816     423.4447 16.27518 419.1540 16.44469 4.290680       23.13675 
1 1 1 1  3  12  o 1010.982 14.33529 70.71579       2.001188      70.75735       2.829142      70.67416       2.831073      1010.207 20.28180 1009.607 20.30769 0.5994873      28.70111 
1 1 1 1  3  13  o 476.9860 11.77818 15.73049       0.7757502     15.52708       1.094908      15.93552       1.099258      473.5456 16.74472 479.7459 16.59397 -6.200317      23.57425 
1 1 1 1  3  14  o 424.3481 11.63776 12.44977       0.6819142     12.42555       0.9661142     12.47382       0.9626399     423.6343 16.51579 424.4629 16.42427 -0.8286438     23.29223 
1 1 1 1  3  15  o 222.0913 11.19474 3.418484       0.3422035     3.468878       0.4850059     3.368527       0.4828986     223.3039 15.83206 220.0149 16.00487 3.288971       22.51244 
1 1 1 1  3  16  o 242.0244 11.15935 4.049370       0.3729376     4.165754       0.5285276     3.933963       0.5263063     244.8218 15.71740 237.8415 16.12075 6.980286       22.51478 
1 1 1 1  3  17  o 330.6466 11.34061 7.558158       0.5177718     7.592977       0.7319968     7.523294       0.7324833     331.1881 16.00650 329.6603 16.09137 1.527832       22.69671 
1 1 1 1  3  18  o 126.3731 11.21758 1.112720       0.1937105     1.161930       0.2738189     1.063417       0.2740772     128.6092 15.74792 122.8289 16.58372 5.780296       22.86956 
1 1 1 1  3  19  o 218.1645 11.17165 3.298945       0.3354130     3.342288       0.4740925     3.255510       0.4745993     219.1758 15.77049 216.2709 16.00613 2.904938       22.47008 
1 1 1 1  3  20  o 288.6661 11.28506 5.760729       0.4498188     5.715410       0.6354982     5.806231       0.6367835     286.8815 16.10774 289.1696 16.01021 -2.288086      22.71092 
1 1 1 1  3  21  o 950.1890 13.99217 62.46233       1.835832      63.02431       2.611414      61.91321       2.581365      953.4689 19.83496 945.0372 19.78165 8.431641       28.01320 
1 1 1 1  3  22  o 301.6456 11.30330 6.290497       0.4708039     6.291469       0.6664065     6.289528       0.6652297     301.0355 16.09011 300.9912 16.06396 0.4421997E-01  22.73637 
1 1 1 1  3  23  o 618.7214 12.33125 26.47243       1.053514      26.08214       1.483239      26.86982       1.496638      613.6450 17.50476 622.8539 17.40173 -9.208923      24.68272 
1 1 1 1  3  24  o 416.0559 9.589097 11.96283       0.5508931     11.46099       0.7743518     12.47711       0.7838969     407.0251 13.77778 424.7102 13.36682 -17.68518      19.19633 
1 1 1 1  3  25  o 564.1884 9.922103 21.99938       0.7729757     21.70543       1.088039      22.29892       1.098340      560.1108 14.06800 567.7215 14.01081 -7.610718      19.85476 
1 1 1 1  3  26  o 245.8366 9.199215 4.176312       0.3122737     4.048877       0.4395849     4.306137       0.4436870     241.5808 13.22804 249.1843 12.93943 -7.603561      18.50432 
1 1 1 1  3  27  o 622.5769 10.11409 26.78977       0.8694768     26.64055       1.225840      26.94085       1.233447      620.5011 14.30715 623.9877 14.31550 -3.486633      20.23927 
1 1 1 1  3  28  o 702.9719 10.42385 34.15786       1.011822      34.62306       1.437841      33.70150       1.424121      707.3327 14.72140 697.8494 14.77908 9.483337       20.86003 
1 1 1 1  3  29  o 163.4483 7.926512 1.845721       0.1788960     1.919142       0.2532472     1.772588       0.2527478     166.2439 11.09591 159.7022 11.53909 6.541733       16.00843 
1 1 1 1  3  30  o 569.4831 8.636635 22.40941       0.6791464     22.85979       0.9660612     21.96934       0.9549512     574.9422 12.16865 563.6254 12.27023 11.31677       17.28105 
1 1 1 1  3  31  o 190.1077 7.975633 2.497022       0.2093644     2.526404       0.2966475     2.467860       0.2955276     190.8194 11.30892 188.5794 11.40284 2.239975       16.05977 
1 1 1 1  3  32  o 224.0138 8.521761 3.467573       0.2635980     3.608287       0.3500721     3.283326       0.4005797     228.4465 11.09775 217.4343 13.40746 11.01215       17.40460 
1 1 1 1  3  33  o 518.4364 10.79333 18.58257       0.7726609     18.62376       0.9985916     18.52112       1.219688      518.7687 13.94043 517.0356 17.08403 1.733154       22.04994 
1 1 1 1  3  34  o 785.7495 15.39105 42.75048       1.669899      34.26297       2.629013      48.49075       2.162064      701.2885 27.14927 836.2578 18.72365 -134.9694      32.97965 
1 1 1 1  3  35  o 451.0125 13.62044 14.07683       0.8482378     13.51721       1.461635      14.36101       1.041578      440.2060 24.13819 455.2862 16.56796 -15.08017      29.27712 
1 1 1 1  3  36  o 445.0718 9.581905 13.69269       0.5888707     13.30291       0.8302974     14.08717       0.8353030     438.4161 13.71542 451.1787 13.40780 -12.76263      19.18025 
1 1 1 1  3  37  o 206.4109 8.528008 2.944424       0.2430627     3.189131       0.3229969     2.624910       0.3690789     214.4706 10.94309 194.2448 13.85119 20.22583       17.65238 
1 1 1 1  3  38  o 286.6668 8.009296 5.678760       0.3170368     5.667286       0.4484569     5.690223       0.4482588     286.2475 11.34595 286.8274 11.31801 -0.5799255     16.02586 
1 1 1 1  3  39  o 263.8943 7.979811 4.812539       0.2907773     4.884431       0.4117324     4.741003       0.4107120     265.7366 11.22085 261.7999 11.36135 3.936768       15.96833 
1 1 1 1  3  40  o 121.9869 8.002825 1.032812       0.1340542     1.017375       0.1895438     1.048262       0.1896189     120.7227 11.50999 122.5790 11.33104 -1.856331      16.15155 
1 1 1 1  3  41  o 181.2991 7.902680 2.271633       0.1978372     2.278713       0.2794684     2.264522       0.2801008     181.1421 11.22848 180.5693 11.29065 0.5727997      15.92349 
1 1 1 1  3  42  o 397.2648 8.201441 10.90860       0.4498920     11.33739       0.6394307     10.48825       0.6331032     404.7769 11.44036 389.2975 11.77755 15.47937       16.41928 
1 1 1 1  3  43  o 409.2249 8.239970 11.57627       0.4656137     11.74628       0.6592409     11.40704       0.6577160     411.9704 11.58884 405.9655 11.73306 6.004852       16.49139 
1 1 1 1  3  44  o 535.0777 8.516004 19.79483       0.6292028     20.05718       0.8909284     19.53376       0.8887300     538.2414 11.98748 531.1558 12.11741 7.085571       17.04498 
1 1 1 1  3  45  o 278.2376 7.985065 5.351969       0.3067837     5.407275       0.4336433     5.296553       0.4340722     279.4907 11.23640 276.6061 11.36481 2.884613       15.98173 
1 1 1 1  3  46  o 482.3832 8.368275 16.09041       0.5573989     16.38938       0.7908735     15.79533       0.7857140     486.4744 11.77359 477.5590 11.91515 8.915466       16.75077 
1 1 1 1  3  47  o 208.4406 7.923934 3.004226       0.2280663     2.845269       0.3213114     3.165626       0.3237717     202.3522 11.54740 213.5332 11.01839 -11.18094      15.96081 
1 1 1 1  3  48  o 150.0004 8.066674 1.560607       0.1664664     1.509830       0.2349313     1.611808       0.2359098     147.1583 11.65700 152.1179 11.31216 -4.959656      16.24347 
1 1 1 1  3  49  o 338.1226 8.070882 7.908628       0.3768193     8.004047       0.5336074     7.813710       0.5322013     339.8311 11.37158 335.7539 11.47934 4.077209       16.15822 
1 1 1 1  3  50  o 186.7729 7.926026 2.413489       0.2044125     2.335119       0.2886345     2.492347       0.2895335     183.1516 11.47085 189.2844 11.12654 -6.132797      15.98062 
1 1 1 1  3  51  o 154.3067 8.069265 1.652357       0.1713348     1.901272       0.2434482     1.408069       0.2411756     165.2504 10.72708 141.8686 12.43699 23.38174       16.42404 
1 1 1 1  3  52  o 194.8466 7.938428 2.627957       0.2135823     2.609142       0.3017560     2.646846       0.3023469     193.5611 11.33964 194.9681 11.27880 -1.407059      15.99371 
1 1 1 1  3  53  o 231.7502 7.945664 3.718571       0.2542660     3.694226       0.3592282     3.743014       0.3599457     230.6600 11.27873 232.1841 11.22707 -1.524124      15.91405 
1 1 1 1  3  54  o 83.90617 8.437968 0.4926268      0.9643635E-01 0.4992026      0.1364282     0.4860601      0.1363351     83.88366 12.13077 82.71748 12.31167 1.166183       17.28389 
1 1 1 1  3  55  o 168.6364 9.247196 1.978320       0.2145060     2.060834       0.3029773     1.895391       0.3037386     171.5310 12.88590 164.3443 13.50408 7.186661       18.66566 
1 1 1 1  3  56  o 99.34306 13.92800 0.7022527      0.1858066     0.7455725      0.2303730     0.6216183      0.3143029     101.7372 16.99864 91.64104 24.40330 10.09615       29.74012 
1 1 1 1  3  57  o 78.74475 14.69421 0.4477803      0.1538971     0.5382597      0.2808336     0.4089470      0.1839823     85.34757 23.21465 74.69582 18.04089 10.65176       29.40057 
1 1 1 1  3  58  o 269.2092 9.259036 5.034662       0.3441864     4.928715       0.4856510     5.141575       0.4878626     265.5072 13.24677 271.2361 13.02603 -5.728882      18.57833 
1 1 1 1  3  59  o 141.8392 8.707373 1.402318       0.1697133     1.384380       0.2240470     1.426468       0.2599589     140.3970 11.66252 142.1502 13.40220 -1.753250      17.76607 
1 1 1 1  3  60  o 208.1896 7.998490 3.008377       0.2299349     2.954894       0.3247965     3.062110       0.3255590     205.4417 11.49558 209.1917 11.31265 -3.750031      16.12837 
1 1 1 1  3  61  o 284.3443 8.050214 5.613720       0.3160748     5.552378       0.4464443     5.675367       0.4475522     281.9704 11.46636 285.1038 11.36849 -3.133392      16.14683 
1 1 1 1  3  62  o 136.3743 8.222334 1.296543       0.1541096     1.279879       0.2179103     1.313217       0.2179776     134.7998 11.82665 136.5906 11.66919 -1.790863      16.61445 
1 1 1 1  3  63  o 211.4211 8.030823 3.104840       0.2344479     3.109828       0.3316466     3.099856       0.3314722     210.6359 11.44560 210.2934 11.45841 0.3424225      16.19559 
1 1 1 1  3  64  o 150.7059 8.139713 1.582344       0.1687578     1.670183       0.2392168     1.495318       0.2381063     154.2122 11.31295 145.7285 11.93757 8.483704       16.44653 
1 1 1 1  3  65  o 184.0491 8.054807 2.352615       0.2047042     2.326452       0.2894321     2.378801       0.2895590     182.0980 11.57080 184.1756 11.44249 -2.077530      16.27311 
1 1 1 1  3  66  o 164.4053 8.083255 1.877014       0.1835017     1.909296       0.2596370     1.844795       0.2593843     164.9447 11.47098 162.0759 11.66817 2.868835       16.36245 
1 1 1 1  3  67  o 90.52037 8.630353 0.5744739      0.1065665     0.5706682      0.1504921     0.5783015      0.1509244     89.47172 12.52445 90.09273 12.46600 -0.6210098     17.67097 
1 1 1 1  3  68  o 128.6789 8.312671 1.154611       0.1469122     1.165026       0.2078054     1.144204       0.2077251     128.6147 11.83388 127.4268 11.94506 1.187859       16.81443 
1 1 1 1  3  69  o 70.10221 9.464698 0.3478382      0.8927490E-01 0.3702802      0.1263497     0.3254643      0.1261581     71.62061 13.26460 66.89792 14.10174 4.722694       19.35997 
1 1 1 1  3  70  o 113.9796 8.471012 0.9069827      0.1323687     0.8994089      0.1872070     0.9145551      0.1871881     112.8288 12.21092 113.8095 12.09681 -0.9806519     17.18836 
1 1 1 1  3  71  o 175.4025 8.160671 2.135355       0.1976513     2.095601       0.2793471     2.175207       0.2796954     172.8846 11.77181 176.2001 11.55994 -3.315552      16.49872 
1 1 1 1  3  72  o 106.6047 8.579599 0.7942032      0.1252243     0.9041155      0.1771732     0.6844873      0.1770147     113.2819 11.48538 98.00071 13.43465 15.28120       17.67495 
1 1 1 1  3  73  o 167.6899 8.180634 1.951738       0.1894226     1.876838       0.2674808     2.027090       0.2682891     163.5360 11.92741 170.0848 11.49091 -6.548767      16.56213 
1 1 1 1  3  74  f 169.8582 8.200951 2.002728       0.1923485     2.034590       0.2721523     1.970927       0.2718916     170.3570 11.63916 167.6173 11.82313 2.739716       16.59085 
1 1 1 1  3  75  o 137.1678 8.368149 1.311269       0.1577384     1.361642       0.2234030     1.261189       0.2227499     139.1718 11.73465 133.8076 12.18958 5.364166       16.92004 
1 1 1 1  3  76  o 102.0757 10.15703 0.7326800      0.1412607     0.7819396      0.1978067     0.6814120      0.2017987     104.6600 14.04156 97.20989 15.55855 7.450089       20.95791 
1 1 1 1  3  77  o 76.78091 15.96912 0.4310862      0.1637889     0.4764872      0.2054224     0.3518513      0.2713771     80.24982 18.85751 70.99696 23.64375 9.252861       30.24289 
1 1 1 1  3  78  o 116.1592 14.33757 0.9631422      0.2250877     0.7121056      0.4011118     1.078529       0.2719412     96.71846 28.26021 122.3987 16.51152 -25.68024      32.73026 
1 1 1 1  3  79  o 189.7193 9.592391 2.514080       0.2504748     2.464086       0.3517278     2.565519       0.3567756     186.6897 13.74079 190.5413 13.65071 -3.851669      19.36882 
1 1 1 1  3  80  o 91.35326 9.242010 0.5871394      0.1149773     0.5607261      0.1624844     0.6136296      0.1627209     88.25158 13.78446 92.57796 13.09442 -4.326385      19.01250 
1 1 1 1  3  81  o 107.5905 8.958688 0.8118318      0.1318835     0.7901461      0.1869117     0.8333329      0.1861138     105.1910 13.15597 108.1872 12.70005 -2.996223      18.28581 
1 1 1 1  3  82  o 72.44199 10.35168 0.3740382      0.1006028     0.3893150      0.1422557     0.3587536      0.1422921     72.94815 14.63176 69.85212 15.18557 3.096031       21.08767 
1 1 1 1  3  83  o 288.4549 8.295923 5.793330       0.3304309     5.694206       0.4663715     5.893250       0.4682337     284.7298 11.86209 289.7288 11.70397 -4.999023      16.66409 
1 1 1 1  3  84  o 160.7077 8.560599 1.804668       0.1892826     1.811851       0.2675821     1.797474       0.2677901     160.0532 12.19938 159.3949 12.26101 0.6583252      17.29617 
1 1 1 1  3  85  o 189.6543 8.393371 2.505977       0.2198048     2.573365       0.3114226     2.439080       0.3102823     190.9799 11.86803 185.8119 12.16039 5.167953       16.99192 
1 1 1 1  3  86  o 136.3325 8.735913 1.301268       0.1635892     1.305169       0.2316853     1.297389       0.2310163     135.5607 12.51873 135.1528 12.52106 0.4078979      17.70580 
1 1 1 1  3  87  o 105.7948 9.301678 0.7875057      0.1345018     0.7499222      0.1904502     0.8249035      0.1899793     102.0521 13.87488 107.3437 13.08815 -5.291565      19.07386 
1 1 1 1  3  88  o 150.4947 8.695066 1.584963       0.1799194     1.524329       0.2543089     1.645727       0.2545801     146.4671 12.70000 152.3889 12.20086 -5.921768      17.61110 
1 1 1 1  3  89  o 177.4234 8.567574 2.195627       0.2098973     2.358276       0.2981887     2.035890       0.2955087     182.6602 11.88723 169.3699 12.72869 13.29033       17.41625 
1 1 1 1  3  90  o 194.6411 8.542127 2.642739       0.2295824     2.590964       0.3246061     2.694559       0.3247510     191.2858 12.35559 195.1817 12.10939 -3.895889      17.30023 
1 1 1 1  3  91  o 163.3458 8.744630 1.867562       0.1965211     1.878742       0.2777424     1.856353       0.2781036     162.7075 12.45685 161.6956 12.55419 1.011902       17.68561 
1 1 1 1  3  92  o 32.28220 12.30797 0.5208239E-01  0.7616837E-01 -0.5741654E-01 0.1071789     0.1638138      0.1082660     28.18965 12.77313 47.92392 14.83802 -19.73426      19.57855 
1 1 1 1  3  93  f 127.3501 9.352256 1.140123       0.1633072     1.231053       0.2305078     1.048489       0.2313971     131.3400 12.87573 120.6997 14.15260 10.64026       19.13323 
1 1 1 1  3  94  o 190.2716 8.712473 2.528621       0.2289040     2.492977       0.3227809     2.564682       0.3246655     187.3833 12.54745 190.1163 12.43594 -2.733063      17.66610 
1 1 1 1  3  95  o 163.1394 8.967797 1.866592       0.2012391     1.882957       0.2838488     1.850054       0.2853473     162.5796 12.74607 161.0696 12.93907 1.509979       18.16265 
1 1 1 1  3  96  o 113.6024 11.66908 0.9204270      0.1804460     0.9247394      0.2509710     0.9158121      0.2596274     112.0530 16.73313 111.1922 17.48716 0.8607407      24.20327 
1 1 1 1  3  97  o 125.3174 16.08395 1.151147       0.2718949     1.239787       0.3438419     1.003226       0.4441770     128.1567 20.09070 110.3959 28.82644 17.76081       35.13687 
1 1 1 1  3  98  o 149.5856 15.07491 1.629494       0.3071297     0.9787973      0.5425349     1.936368       0.3725785     105.9179 33.28529 162.1470 16.88851 -56.22910      37.32469 
1 1 1 1  3  99  o 104.3975 12.12355 0.7868621      0.1715125     0.8014059      0.2342784     0.7700645      0.2517762     103.2970 17.01779 100.3294 18.86645 2.967621       25.40764 
1 1 1 1  3  100 o 69.59384 13.00830 0.3586668      0.1204093     0.3705038      0.1715379     0.3471696      0.1690582     69.22562 17.83518 67.02119 17.92089 2.204422       25.28343 
1 1 1 1  3  101 o 125.6627 10.32100 1.130484       0.1775057     1.316134       0.2508180     0.9442024      0.2512443     133.8744 13.76428 111.5411 16.83673 22.33323       21.74698 
1 1 1 1  3  102 o 114.6385 10.81118 0.9490934      0.1691150     0.8611349      0.2379451     1.038879       0.2404034     105.9660 16.82419 117.6085 15.15616 -11.64256      22.64426 
1 1 1 1  3  103 o 141.7791 10.11935 1.445715       0.1968073     1.340705       0.2773373     1.552238       0.2793285     133.1183 15.37057 144.2144 14.21185 -11.09608      20.93397 
1 1 1 1  3  104 o 64.67272 14.83434 0.3245164      0.1296550     0.6240297      0.1842303     0.3059709E-01  0.1825017     90.02632 15.37205 41.30407 17.75504 48.72225       23.48492 
1 1 1 1  3  105 o 69.44388 14.45025 0.3728823      0.1340530     0.5085962      0.1891235     0.2358515      0.1900389     79.52684 17.68033 55.41872 19.72641 24.10812       26.49010 
1 1 1 1  3  106 o 81.93374 13.06497 0.5078338      0.1428472     0.5189555      0.2001967     0.4962983      0.2038866     79.55050 18.56419 77.35480 19.18236 2.195694       26.69442 
1 1 1 1  3  107 o 68.32040 14.49679 0.3638313      0.1325262     0.2692742      0.1854826     0.4624455      0.1894201     57.68354 19.54746 74.89255 18.43970 -17.20901      26.87240 
1 1 1 1  3  108 o 41.09281 15.00374 0.1143363      0.1107807     0.1900543      0.1546760     0.3458893E-01  0.1587381     50.19039 17.80398 38.91816 16.63926 11.27222       24.36897 
1 1 1 1  3  109 f 35.12860 14.09785 0.5731555E-01  0.1042902     0.4950337E-01  0.1458845     0.6548102E-01  0.1491467     38.64155 16.20913 40.01605 16.55466 -1.374500      23.16879 
1 1 1 1  3  110 o 36.04472 14.07959 0.7036400E-01  0.1014244     0.4066143E-01  0.1419732     0.1013229      0.1449446     37.69889 15.91111 42.30935 16.73762 -4.610466      23.09353 
1 1 1 1  3  111 o 47.18450 14.83092 0.1713324      0.1077049     0.1786495      0.1517143     0.1638978      0.1529282     49.08453 17.60906 47.85588 17.60472 1.228649       24.89990 
1 1 1 1  3  112 o 39.36250 14.36918 0.1038149      0.1016012     -0.7214902E-01 0.1425153     0.2856806      0.1448855     31.37887 14.41101 59.33780 16.87927 -27.95893      22.19430 
1 1 1 1  3  113 o 26.50578 11.82373 -0.2317607E-01 0.8791286E-01 -0.3182069E-02 0.1228870     -0.4413591E-01 0.1258200     32.62816 14.29047 30.60713 13.85658 2.021032       19.90533 
1 1 1 1  3  114 o 26.49035 11.70551 -0.1383989E-01 0.8415011E-01 -0.7900779E-01 0.1170040     0.5598782E-01  0.1211149     27.52189 12.78690 36.39347 14.97305 -8.871578      19.69002 
1 1 1 1  3  115 o 32.37621 13.73778 0.2658522E-01  0.1067462     0.1315315      0.1491427     -0.8364251E-01 0.1528495     43.96147 17.10072 31.55396 14.64487 12.40751       22.51459 
1 1 1 1  3  116 o 39.31730 17.41886 0.2587706E-01  0.1875334     -0.5807971E-01 0.2995534     0.7999124E-01  0.2404927     43.35459 20.24827 45.08738 19.86262 -1.732784      28.36399 
1 1 1 1  3  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  0   o 650.7161 25.22997 29.46213       2.259233      0.000000       0.000000      29.46213       2.259233      650.7161 25.22997 650.7161 25.22997 0.000000       0.000000 
1 1 1 1  4  1   o 494.1444 16.80253 16.90797       1.146480      18.02272       1.659115      15.88921       1.586086      509.4493 23.58508 477.6848 24.12430 31.76456       33.73779 
1 1 1 1  4  2   o 583.8495 14.08171 23.58342       1.135257      23.06898       1.386511      24.62984       1.977466      577.1332 17.39839 595.4859 24.04914 -18.35266      29.68274 
1 1 1 1  4  3   o 992.6818 16.24729 68.22165       2.227045      68.91682       2.744567      66.88158       3.810568      997.0348 19.93543 980.1924 28.15402 16.84235       34.49739 
1 1 1 1  4  4   o 337.7238 11.30497 7.885154       0.5271921     7.868423       0.7423882     7.902174       0.7487772     337.1430 15.94699 337.8595 16.05013 -0.7164917     22.62550 
1 1 1 1  4  5   o 592.0063 12.14528 24.23423       0.9928231     23.89607       1.397456      24.57886       1.410766      587.4041 17.22913 595.7456 17.14968 -8.341492      24.30955 
1 1 1 1  4  6   o 231.2652 11.06620 3.697295       0.3533840     3.765806       0.5015392     3.629748       0.4980004     232.7225 15.69909 228.4403 15.88654 4.282227       22.33481 
1 1 1 1  4  7   o 239.0978 11.12388 3.952037       0.3672567     3.931152       0.5190474     3.972976       0.5197121     237.7771 15.90046 239.0516 15.83432 -1.274414      22.43993 
1 1 1 1  4  8   o 524.1924 11.89911 18.99908       0.8612775     18.83994       1.213464      19.16065       1.222649      521.6046 16.84796 526.0269 16.83278 -4.422302      23.81588 
1 1 1 1  4  9   o 380.8699 11.43787 10.02897       0.6015334     10.15353       0.8503736     9.904224       0.8510200     382.9719 16.08070 378.2272 16.29480 4.744690       22.89343 
1 1 1 1  4  10  o 260.7054 11.18924 4.698708       0.4027994     5.134480       0.5734891     4.274428       0.5658759     271.9404 15.33519 247.9071 16.62712 24.03331       22.61922 
1 1 1 1  4  11  o 933.1765 13.88837 60.24414       1.789587      59.61219       2.517622      60.88957       2.544307      927.3279 19.66161 937.2110 19.66048 -9.883057      27.80492 
1 1 1 1  4  12  f 345.0503 11.36217 8.231186       0.5413543     8.143737       0.7657255     8.318574       0.7654558     342.9741 16.16865 346.6465 15.99172 -3.672455      22.74117 
1 1 1 1  4  13  o 690.3966 12.62079 32.96355       1.203159      32.84086       1.698639      33.08709       1.704424      688.5313 17.86650 691.1083 17.86049 -2.577087      25.26280 
1 1 1 1  4  14  o 203.9460 11.15658 2.884040       0.3129933     2.734546       0.4408303     3.036014       0.4444711     198.0782 16.26094 208.8617 15.52251 -10.78348      22.48035 
1 1 1 1  4  15  o 321.2015 11.32835 7.132687       0.5024379     7.096973       0.7085335     7.168811       0.7125929     319.7737 16.09802 321.7946 16.03706 -2.020966      22.72297 
1 1 1 1  4  16  o 196.0104 11.18244 2.664713       0.3014045     2.747100       0.4262874     2.582355       0.4262133     198.6000 15.67215 192.4555 16.18868 6.144547       22.53198 
1 1 1 1  4  17  f 498.3536 11.86218 17.17248       0.8162816     16.99119       1.151990      17.35530       1.156818      495.3400 16.84253 500.6289 16.73444 -5.288940      23.74263 
1 1 1 1  4  18  o 207.8023 11.22535 2.994017       0.3209032     2.941113       0.4540348     3.046823       0.4536168     205.4829 16.13170 209.2012 15.82008 -3.718353      22.59439 
1 1 1 1  4  19  o 332.7408 11.38760 7.654596       0.5232103     7.726515       0.7419015     7.583436       0.7379763     334.0701 16.08313 330.9588 16.14844 3.111298       22.79121 
1 1 1 1  4  20  o 479.1352 11.81255 15.87353       0.7815190     15.87950       1.106745      15.86759       1.103731      478.8648 16.73773 478.6887 16.69829 0.1761475      23.64285 
1 1 1 1  4  21  o 319.3227 11.36130 7.049726       0.5009516     7.126387       0.7097905     6.973641       0.7071221     320.8337 16.02183 316.9551 16.21117 3.878601       22.79257 
1 1 1 1  4  22  f 640.6726 12.43991 28.38689       1.100503      28.28587       1.554166      28.48847       1.558536      638.9871 17.61438 641.2732 17.60093 -2.286072      24.90099 
1 1 1 1  4  23  o 338.2452 11.41414 7.910495       0.5331052     7.896824       0.7529970     7.924233       0.7548556     337.7069 16.14787 338.2917 16.15975 -0.5848389     22.84494 
1 1 1 1  4  24  o 648.6469 12.47850 29.10006       1.117657      28.83843       1.573716      29.36632       1.587587      645.1515 17.66553 651.0301 17.66032 -5.878601      24.97915 
1 1 1 1  4  25  o 463.3223 11.77065 14.84469       0.7530459     14.69573       1.061738      14.99547       1.068227      460.6187 16.69313 465.2983 16.62624 -4.679657      23.56040 
1 1 1 1  4  26  o 527.6141 17.04119 19.28554       1.241522      21.20547       1.797551      17.53427       1.716786      552.3908 23.56660 502.1333 24.76049 50.25754       34.18284 
1 1 1 1  4  27  o 216.0166 16.04023 3.249356       0.4750338     3.507277       0.6745142     2.995547       0.6691169     223.6524 22.13182 206.2265 23.94294 17.42587       32.60494 
1 1 1 1  4  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  29  o 471.0867 16.67365 15.37570       1.084599      16.52378       1.558789      14.29825       1.510081      487.5651 23.15350 452.7657 24.24194 34.79947       33.52248 
1 1 1 1  4  30  o 139.8271 13.18908 1.364867       0.2516418     1.175406       0.4343638     1.460579       0.3087287     127.7216 25.52193 144.3681 15.74218 -16.64650      29.98642 
1 1 1 1  4  31  o 200.8176 10.14006 2.795186       0.2802680     2.788974       0.4421931     2.799356       0.3623440     199.9941 16.15019 200.7019 13.14735 -0.7078552     20.82502 
1 1 1 1  4  32  o 551.9042 9.923473 21.05828       0.7562500     20.68431       1.064098      21.43994       1.074983      546.6054 14.09839 556.5117 13.98909 -9.906250      19.86100 
1 1 1 1  4  33  o 368.0713 9.453238 9.365360       0.4804525     9.398932       0.6786370     9.331627       0.6802911     368.4984 13.33718 367.1710 13.41802 1.327423       18.91887 
1 1 1 1  4  34  o 240.0541 9.269364 3.983637       0.3072537     4.031738       0.4338984     3.935258       0.4351490     240.9935 13.08809 238.0635 13.29059 2.929977       18.65310 
1 1 1 1  4  35  o 271.9019 9.289562 5.111060       0.3487751     5.105571       0.4923720     5.116588       0.4941175     271.5755 13.13000 271.8666 13.16244 -0.2910461     18.59158 
1 1 1 1  4  36  o 137.5373 9.328549 1.313856       0.1761152     1.291462       0.2484733     1.336465       0.2496598     135.9160 13.41448 138.3081 13.23420 -2.392044      18.84389 
1 1 1 1  4  37  o 522.0583 9.846685 18.84782       0.7098181     18.84001       1.003056      18.85567       1.004615      521.5206 13.92886 521.7354 13.94477 -0.2147827     19.70964 
1 1 1 1  4  38  o 553.6306 9.939786 21.19895       0.7598625     21.29733       1.075830      21.10101       1.073390      554.4258 14.05279 551.8600 14.08609 2.565796       19.89721 
1 1 1 1  4  39  o 530.9700 9.879008 19.50054       0.7243047     19.18128       1.020121      19.82511       1.028574      526.1127 14.04220 534.8857 13.92633 -8.773010      19.77690 
1 1 1 1  4  40  o 119.4539 8.175456 0.9910923      0.1340390     1.035267       0.1898337     0.9471722      0.1892870     121.7626 11.42429 116.3539 11.95133 5.408707       16.53326 
1 1 1 1  4  41  o 243.9253 8.026948 4.113579       0.2703618     4.069682       0.3822000     4.157544       0.3824988     242.4497 11.41645 245.0596 11.30369 -2.609909      16.06576 
1 1 1 1  4  42  o 263.0364 8.031158 4.783843       0.2916971     4.790696       0.4128414     4.777010       0.4122033     263.0315 11.36678 262.6556 11.36545 0.3758850      16.07412 
1 1 1 1  4  43  o 149.1699 8.072075 1.543246       0.1656477     1.557895       0.2344454     1.528642       0.2340773     149.5395 11.44078 148.1101 11.53656 1.429382       16.24757 
1 1 1 1  4  44  o 166.5531 8.002940 1.918519       0.1840519     1.904225       0.2603328     1.932803       0.2602446     165.3879 11.47042 166.6410 11.37799 -1.253113      16.15640 
1 1 1 1  4  45  o 170.0855 7.994770 2.001144       0.1877636     2.034990       0.2660140     1.967539       0.2650642     170.9811 11.33148 168.0920 11.48884 2.889160       16.13679 
1 1 1 1  4  46  o 284.1812 8.059317 5.587760       0.3162507     5.752678       0.4488978     5.425248       0.4456123     288.0455 11.28622 279.7013 11.53785 8.344208       16.14003 
1 1 1 1  4  47  o 231.7108 8.008731 3.715523       0.2562406     3.814458       0.3632611     3.617544       0.3615031     234.5111 11.21806 228.0632 11.51664 6.447861       16.07725 
1 1 1 1  4  48  o 108.5690 8.199994 0.8206411      0.1220231     0.8143490      0.1726232     0.8269250      0.1725104     107.6666 11.80487 108.5203 11.69729 -0.8537140     16.61871 
1 1 1 1  4  49  o 188.6201 8.019867 2.463226       0.2088782     2.478888       0.2956500     2.447617       0.2951474     188.6094 11.40575 187.4032 11.46083 1.206253       16.16917 
1 1 1 1  4  50  o 127.3699 8.116302 1.128101       0.1420022     1.021576       0.2004720     1.235371       0.2011727     120.6095 12.20547 132.9263 11.06066 -12.31683      16.47154 
1 1 1 1  4  51  o 104.2048 8.932981 0.7582601      0.1272926     0.7448665      0.1675314     0.7765537      0.1957923     102.7987 12.02991 104.6444 13.89355 -1.845680      18.37796 
1 1 1 1  4  52  o 215.3347 10.14580 3.220456       0.3016743     3.348258       0.3895983     3.029095       0.4767351     218.7863 12.95381 207.1231 16.81418 11.66319       21.22540 
1 1 1 1  4  53  o 275.4088 16.28030 5.342507       0.6163737     0.000000       0.000000      5.342507       0.6163737     ?        ?        275.4088 16.28030 0.000000       16.28030 
1 1 1 1  4  54  o 266.7564 13.30427 4.973433       0.4900539     5.178654       0.8557206     4.873284       0.5977877     267.9321 23.36345 262.6903 16.56514 5.241821       28.64008 
1 1 1 1  4  55  o 102.3946 9.794533 0.7354981      0.1367943     0.5760866      0.1900335     0.9069352      0.1970710     89.22414 16.01287 113.2309 12.83082 -24.00676      20.51931 
1 1 1 1  4  56  o 209.2411 8.057570 3.038280       0.2328033     3.057548       0.3288840     3.018930       0.3295842     209.0601 11.43623 207.7069 11.53695 1.353195       16.24465 
1 1 1 1  4  57  o 140.0567 8.169903 1.366483       0.1573148     1.354002       0.2226459     1.378927       0.2223080     138.7604 11.73003 140.0681 11.59854 -1.307678      16.49605 
1 1 1 1  4  58  o 161.2452 8.128296 1.810062       0.1803952     1.770084       0.2547830     1.850252       0.2554530     158.7436 11.70607 162.3723 11.46734 -3.628616      16.38694 
1 1 1 1  4  59  o 238.6170 8.076292 3.954665       0.2661039     3.954746       0.3764060     3.954584       0.3762496     237.9016 11.45832 237.8979 11.45375 0.3753662E-02  16.20128 
1 1 1 1  4  60  o 129.2119 8.326636 1.164939       0.1477719     1.158011       0.2099496     1.171741       0.2080257     128.1027 12.00930 128.9098 11.81830 -0.8070984     16.84920 
1 1 1 1  4  61  o 121.3703 8.349673 1.028406       0.1390816     1.061703       0.1974496     0.9956169      0.1959412     122.6666 11.80283 118.6800 12.12703 3.986580       16.92252 
1 1 1 1  4  62  o 300.7493 8.150900 6.282717       0.3384918     6.384451       0.4795965     6.181739       0.4778079     302.2748 11.49042 297.3923 11.63551 4.882538       16.35283 
1 1 1 1  4  63  o 255.0528 8.130234 4.517748       0.2863328     4.496874       0.4045703     4.538698       0.4053021     253.7071 11.54844 254.8928 11.51552 -1.185654      16.30870 
1 1 1 1  4  64  o 185.6728 8.151576 2.393986       0.2089911     2.409637       0.2953658     2.378295       0.2957508     185.3820 11.59695 184.1446 11.69194 1.237411       16.46787 
1 1 1 1  4  65  o 55.11698 10.94359 0.2191630      0.8035053E-01 0.1869448      0.1132639     0.2518044      0.1140053     51.10469 15.04147 58.73787 14.21059 -7.633175      20.69267 
1 1 1 1  4  66  o 56.22903 10.77837 0.2276068      0.8064007E-01 0.2088525      0.1140654     0.2463459      0.1140192     53.70013 14.87290 58.11220 14.30533 -4.412075      20.63603 
1 1 1 1  4  67  o 302.0293 8.184697 6.331979       0.3413419     6.293152       0.4821494     6.370992       0.4833135     300.2835 11.62819 302.1472 11.58437 -1.863617      16.41379 
1 1 1 1  4  68  o 270.3189 8.167189 5.071718       0.3048505     4.984949       0.4303598     5.159106       0.4318918     267.2662 11.66137 271.9343 11.50199 -4.668091      16.37936 
1 1 1 1  4  69  o 96.77401 8.910893 0.6560425      0.1177366     0.6514074      0.1662115     0.6607105      0.1667995     95.67715 12.91068 96.38249 12.85347 -0.7053375     18.21805 
1 1 1 1  4  70  o 232.0769 8.180050 3.738185       0.2621355     3.656436       0.3700507     3.820523       0.3713841     228.5923 11.76350 234.0206 11.49294 -5.428314      16.44590 
1 1 1 1  4  71  o 151.6952 8.363545 1.602353       0.1745095     1.603178       0.2464912     1.601525       0.2470973     151.0789 11.91234 150.9931 11.94910 0.8576965E-01  16.87261 
1 1 1 1  4  72  o 99.46066 8.888541 0.6927421      0.1207869     0.6777037      0.1706607     0.7078363      0.1709768     97.58588 12.98762 99.83296 12.68968 -2.247086      18.15782 
1 1 1 1  4  73  o 108.4614 10.17859 0.8262610      0.1506575     0.8970468      0.2110628     0.7527285      0.2151188     112.2641 13.91362 102.2448 15.74205 10.01926       21.00954 
1 1 1 1  4  74  o 86.74795 12.03622 0.5357907      0.1402892     0.7002990      0.1819414     0.2945606      0.2203199     99.01666 13.67187 65.00520 21.28734 34.01146       25.29962 
1 1 1 1  4  75  o 191.6046 13.64333 2.590625       0.3586064     3.160542       0.6435842     2.334007       0.4318598     207.9586 22.78553 180.5319 17.54576 27.42674       28.75820 
1 1 1 1  4  76  o 272.0130 11.78331 5.177484       0.4425831     4.942869       0.8802992     5.256850       0.5119979     258.8712 24.93525 273.5001 13.55729 -14.62891      28.38251 
1 1 1 1  4  77  o 57.68141 12.13618 0.2416614      0.9360062E-01 0.1783927      0.1212733     0.3348821      0.1472064     50.32567 15.72427 67.45771 16.03862 -17.13204      22.46085 
1 1 1 1  4  78  o 142.7992 8.547187 1.423954       0.1677592     1.340289       0.2364796     1.508714       0.2380227     137.6098 12.58465 146.2487 11.88952 -8.638931      17.31283 
1 1 1 1  4  79  f 137.6176 8.555348 1.323508       0.1617686     1.357064       0.2285391     1.289814       0.2290124     138.5443 12.06680 134.9456 12.43002 3.598694       17.32377 
1 1 1 1  4  80  o 202.3088 8.301052 2.849245       0.2318921     2.905169       0.3277863     2.793212       0.3281037     203.1293 11.73639 199.0793 11.99164 4.050049       16.77922 
1 1 1 1  4  81  o 116.7810 8.950877 0.9563515      0.1432377     0.8776116      0.2020595     1.035890       0.2030817     110.7370 13.49343 120.7563 12.35323 -10.01933      18.29412 
1 1 1 1  4  82  o 161.6600 8.501538 1.825863       0.1891079     1.912429       0.2679800     1.739991       0.2669013     164.5529 11.87369 156.7491 12.43330 7.803802       17.19219 
1 1 1 1  4  83  o 175.9099 8.457758 2.156294       0.2054393     2.152501       0.2907368     2.160077       0.2903337     174.5083 12.14113 174.8306 12.10100 -0.3223572     17.14180 
1 1 1 1  4  84  o 99.41409 9.214621 0.6956877      0.1250541     0.6769325      0.1777063     0.7140869      0.1760122     96.95486 13.65184 99.78438 13.09024 -2.829514      18.91368 
1 1 1 1  4  85  o 89.05916 9.663166 0.5607146      0.1169262     0.5181286      0.1660277     0.6026208      0.1646975     84.26233 14.81006 91.42058 13.44873 -7.158249      20.00515 
1 1 1 1  4  86  o 80.38920 9.973269 0.4588741      0.1083287     0.5425792      0.1541139     0.3771258      0.1523019     86.67680 13.30143 71.36803 15.86582 15.30877       20.70392 
1 1 1 1  4  87  o 128.7776 8.899904 1.162959       0.1572863     1.193981       0.2235827     1.132566       0.2213074     129.4845 12.66721 126.0093 12.90097 3.475212       18.08019 
1 1 1 1  4  88  o 52.55799 12.58342 0.2025989      0.9011094E-01 0.1342548      0.1279147     0.2699296      0.1269629     45.87398 16.19949 60.39104 15.22837 -14.51706      22.23346 
1 1 1 1  4  89  o 81.64146 10.45810 0.4746593      0.1151866     0.3488056      0.1621451     0.6028795      0.1636624     68.34166 17.19640 91.39266 13.36367 -23.05100      21.77851 
1 1 1 1  4  90  o 128.2575 9.099664 1.155004       0.1601098     1.162002       0.2261630     1.147972       0.2266968     127.5500 13.02383 126.7304 13.14592 0.8196182      18.50500 
1 1 1 1  4  91  o 193.4462 8.593575 2.611996       0.2295473     2.596873       0.3240352     2.627231       0.3252257     191.4215 12.32475 192.5536 12.29612 -1.132141      17.40960 
1 1 1 1  4  92  o 110.5497 9.479615 0.8614025      0.1433061     0.8911616      0.2019229     0.8312014      0.2034162     111.3551 13.40128 107.2758 14.07178 4.079262       19.43217 
1 1 1 1  4  93  o 65.83437 12.33465 0.3158225      0.1080086     0.4011211      0.1524841     0.2299324      0.1530118     73.54147 15.50446 56.34055 17.67204 17.20091       23.50934 
1 1 1 1  4  94  o 139.6843 10.63882 1.380421       0.2036579     1.539265       0.2856485     1.216201       0.2904429     146.1616 14.33800 128.7852 16.72767 17.37639       22.03164 
1 1 1 1  4  95  o 98.83640 17.25883 0.7283053      0.2269699     0.8554885      0.2925776     0.5360905      0.3596826     105.7281 20.78165 82.73531 27.20421 22.99275       34.23369 
1 1 1 1  4  96  f 87.42458 17.62628 0.5774945      0.2054341     0.4447100      0.3795640     0.6325074      0.2443113     77.14437 27.83218 90.59484 20.05944 -13.45047      34.30760 
1 1 1 1  4  97  o 70.61790 14.02436 0.3707655      0.1319305     0.4963987      0.1771516     0.2143137      0.1976892     81.11103 16.38122 56.08319 20.10285 25.02784       25.93201 
1 1 1 1  4  98  o 40.21399 14.63497 0.1004181      0.1052782     0.1626799      0.1344545     0.1757885E-02  0.1692526     48.36752 16.63848 39.29576 16.99504 9.071758       23.78382 
1 1 1 1  4  99  o 114.9040 10.19998 0.9452259      0.1601524     1.038266       0.2263311     0.8519248      0.2266485     118.6311 14.09247 106.3957 15.91632 12.23545       21.25857 
1 1 1 1  4  100 o 123.9624 10.07523 1.101925       0.1709656     1.025180       0.2407507     1.179999       0.2428264     116.7876 15.29682 126.0833 14.19451 -9.295685      20.86808 
1 1 1 1  4  101 o 35.33953 13.81409 0.6286714E-01  0.9768933E-01 0.1592055      0.1393976     -0.3010738E-01 0.1369423     47.59964 16.90001 33.29549 14.81146 14.30415       22.47197 
1 1 1 1  4  102 o 39.65366 14.26696 0.1044886      0.9965844E-01 0.1301938      0.1415667     0.7923474E-01  0.1403182     44.90951 16.85723 40.69552 16.34535 4.213985       23.48056 
1 1 1 1  4  103 o 65.87903 13.56645 0.3322701      0.1193002     0.3868854      0.1692690     0.2783627      0.1681683     69.22157 17.65385 58.86296 18.53694 10.35860       25.59837 
1 1 1 1  4  104 f 67.43822 13.50644 0.3486962      0.1213871     0.5116600      0.1727766     0.1898514      0.1705791     80.56771 16.09370 50.96961 18.61668 29.59810       24.60869 
1 1 1 1  4  105 o 76.53111 12.48821 0.4417319      0.1274182     0.2860319      0.1806792     0.5957795      0.1797179     59.14840 19.27294 87.33804 15.46834 -28.18964      24.71267 
1 1 1 1  4  106 o 43.67521 14.74115 0.1409937      0.1054794     0.2884862      0.1501123     -0.2854545E-02 0.1482462     59.61900 17.25051 35.68467 15.66082 23.93433       23.29896 
1 1 1 1  4  107 o 42.90922 14.69294 0.1346149      0.1048055     0.1251595      0.1484776     0.1440044      0.1479585     44.40521 17.12123 45.92191 17.23430 -1.516697      24.29316 
1 1 1 1  4  108 o 40.03925 14.48538 0.1090100      0.1029168     0.1614450E-01  0.1455500     0.2018660      0.1455426     36.49977 15.77301 51.03122 17.31534 -14.53144      23.42240 
1 1 1 1  4  109 o 37.54253 13.99225 0.8907050E-01  0.9719754E-01 0.2496252      0.1375846     -0.7089492E-01 0.1373319     55.81535 16.61604 30.84163 14.15771 24.97372       21.82965 
1 1 1 1  4  110 o 43.86143 14.71295 0.1431700      0.1050699     0.1710091      0.1479363     0.1148323      0.1492549     48.22062 17.37898 43.61453 17.06779 4.606087       24.35854 
1 1 1 1  4  111 o 36.20374 14.10448 0.7290611E-01  0.1015774     0.2544139E-01  0.1432117     0.1209593      0.1440967     36.70703 15.75210 43.63865 16.85522 -6.931625      23.07005 
1 1 1 1  4  112 o 67.33340 13.85769 0.3548400      0.1245468     0.2585433      0.1759723     0.4514955      0.1762998     55.93080 19.03931 73.76952 17.56065 -17.83872      25.90120 
1 1 1 1  4  113 o 47.80384 16.18955 0.1808002      0.1272300     0.1869946      0.1762438     0.1740589      0.1838585     49.57449 18.76475 48.88969 18.99554 0.6848068      26.70105 
1 1 1 1  4  114 o 50.04221 19.14218 0.2013977      0.1846197     0.3177877      0.2305890     -0.6445949E-02 0.3081408     58.57912 21.60703 45.75830 21.07967 12.82082       30.18636 
1 1 1 1  4  115 o 32.55823 15.66141 -0.1895631     0.2068255     0.000000       0.000000      -0.1895631     0.2068255     ?        ?        32.55823 15.66141 0.000000       15.66141 
1 1 1 1  4  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  0   o 392.1318 23.50824 10.76206       1.262412      0.000000       0.000000      10.76206       1.262412      392.1318 23.50824 392.1318 23.50824 0.000000       0.000000 
1 1 1 1  5  1   o 570.8370 15.76820 22.55895       1.242889      22.95087       1.778010      22.18444       1.738090      574.9769 22.39474 565.3126 22.26617 9.664307       31.58016 
1 1 1 1  5  2   o 382.4846 16.20847 10.12958       0.8560396     9.458936       1.201928      10.81998       1.219509      368.2445 23.76448 394.1460 22.50062 -25.90155      32.72658 
1 1 1 1  5  3   o 500.0961 13.70268 17.30272       0.9462302     17.15413       1.160693      17.59715       1.633856      497.6768 16.89009 503.3222 23.50876 -5.645355      28.94714 
1 1 1 1  5  4   o 372.8739 11.48868 9.613160       0.5915210     9.765968       0.8325455     9.457385       0.8405867     375.5648 16.05407 369.5558 16.47269 6.008911       23.00179 
1 1 1 1  5  5   o 360.2966 11.43435 8.975504       0.5688657     8.961268       0.8017856     8.989933       0.8072372     359.7518 16.14051 360.3212 16.22458 -0.5694580     22.88565 
1 1 1 1  5  6   o 490.5411 11.78827 16.63919       0.7984793     16.56948       1.127505      16.70932       1.130944      489.1317 16.69378 491.1932 16.67442 -2.061523      23.59488 
1 1 1 1  5  7   o 335.7113 11.31276 7.792247       0.5244120     7.815402       0.7420695     7.769148       0.7411925     335.9691 15.99585 334.9718 16.02451 0.9973755      22.64182 
1 1 1 1  5  8   o 319.0951 11.31328 7.040033       0.4984787     7.103651       0.7067875     6.977069       0.7031373     320.3040 15.98043 317.0240 16.11543 3.280029       22.69541 
1 1 1 1  5  9   o 350.3023 11.37345 8.484604       0.5501401     8.826982       0.7812724     8.147876       0.7747990     357.0539 15.84641 343.0120 16.35844 14.04190       22.77514 
1 1 1 1  5  10  o 352.2424 11.39882 8.578997       0.5544207     8.341547       0.7805603     8.820764       0.7876259     347.0653 16.28761 356.9155 15.98147 -9.850220      22.81871 
1 1 1 1  5  11  o 208.3751 11.17095 3.010681       0.3202501     3.135840       0.4530666     2.885702       0.4527376     212.2576 15.56684 203.4901 16.24807 8.767517       22.50169 
1 1 1 1  5  12  o 409.4309 11.56968 11.59163       0.6540936     12.41182       0.9346806     10.80446       0.9156683     423.3693 15.98843 394.9454 16.79048 28.42386       23.18513 
1 1 1 1  5  13  o 934.5112 16.09628 60.47802       2.077055      58.65263       2.498042      64.56668       3.738634      919.6113 19.67240 962.5878 28.12773 -42.97650      34.32452 
1 1 1 1  5  14  o 435.2128 16.54695 13.11965       0.9943918     14.43561       1.432291      11.89511       1.381641      455.8600 22.75421 412.9237 24.33953 42.93628       33.31916 
1 1 1 1  5  15  o 510.3497 17.06008 18.04515       1.202228      22.18847       1.788805      14.63185       1.623592      565.1220 22.92360 457.8213 25.78785 107.3008       34.50369 
1 1 1 1  5  16  o 844.7288 26.98897 49.70228       3.148049      0.000000       0.000000      49.70228       3.148049      ?        ?        844.7288 26.98897 0.000000       26.98897 
1 1 1 1  5  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  18  o 985.9875 20.18488 67.46159       2.748119      62.67441       3.714818      73.24825       4.084251      948.0181 28.37808 1024.696 28.86551 -76.67816      40.47880 
1 1 1 1  5  19  o 331.0786 16.10191 7.592748       0.7361165     6.587508       1.024059      8.667483       1.058866      306.7902 24.37471 352.5829 21.85685 -45.79279      32.73909 
1 1 1 1  5  20  o 584.8621 17.24106 23.70715       1.392372      22.09584       1.928692      25.46100       2.012185      563.4878 24.78794 605.0098 24.08616 -41.52203      34.56276 
1 1 1 1  5  21  o 906.9880 13.78905 56.93713       1.726927      57.70703       2.460013      56.18908       2.424854      911.9550 19.53556 899.8857 19.51462 12.06934       27.61266 
1 1 1 1  5  22  o 270.1672 11.28575 5.047960       0.4210183     4.879267       0.5945665     5.217612       0.5962567     264.8684 16.33643 273.9907 15.82752 -9.122284      22.74619 
1 1 1 1  5  23  o 202.0740 11.39608 2.833190       0.3166854     2.788558       0.4474950     2.877968       0.4482276     199.9454 16.35142 203.1765 16.10875 -3.231140      22.95344 
1 1 1 1  5  24  o 305.5470 11.37520 6.457346       0.4799267     6.502619       0.6799943     6.412411       0.6774506     305.9114 16.15527 303.7699 16.20941 2.141510       22.88532 
1 1 1 1  5  25  o 486.9339 11.93941 16.40380       0.8027694     15.98243       1.129743      16.83356       1.140914      480.1261 17.04066 492.7774 16.76734 -12.65134      23.90664 
1 1 1 1  5  26  o 532.9279 12.04737 19.65101       0.8865408     19.70311       1.255241      19.59916       1.252280      533.0558 17.05361 531.6470 17.05848 1.408813       24.12089 
1 1 1 1  5  27  o 349.5692 11.47852 8.453853       0.5540602     8.549903       0.7849170     8.358463       0.7822087     351.1982 16.18577 347.2331 16.31412 3.965179       22.98107 
1 1 1 1  5  28  o 430.5883 11.74020 12.82878       0.6980327     12.60464       0.9834070     13.05638       0.9909710     426.3318 16.70504 433.9231 16.53904 -7.591309      23.50741 
1 1 1 1  5  29  o 492.8723 11.91039 16.81120       0.8105850     16.84684       1.145731      16.77549       1.146951      492.8167 16.83679 491.7646 16.89077 1.052032       23.84902 
1 1 1 1  5  30  o 174.6703 11.32979 2.119918       0.2717870     2.095338       0.3835705     2.144703       0.3851641     173.0648 16.24084 175.1276 16.10827 -2.062820      22.87447 
1 1 1 1  5  31  o 423.0605 11.70278 12.38742       0.6836430     12.20190       0.9642059     12.57497       0.9694498     419.3532 16.65144 425.7358 16.49100 -6.382629      23.43552 
1 1 1 1  5  32  o 163.3954 11.35340 1.856583       0.2545651     1.777264       0.3599982     1.935912       0.3600208     159.1786 16.62390 166.3124 15.86965 -7.133759      22.98260 
1 1 1 1  5  33  o 200.0274 11.30925 2.778174       0.3110844     2.826406       0.4401310     2.730025       0.4397489     201.2002 15.97361 197.6781 16.25447 3.522079       22.78956 
1 1 1 1  5  34  o 436.2463 11.73231 13.17692       0.7067298     12.91145       0.9957368     13.44639       1.003239      431.1947 16.72373 440.0688 16.50995 -8.874146      23.50025 
1 1 1 1  5  35  o 357.2012 11.51714 8.834746       0.5680618     8.667016       0.8013424     9.004176       0.8053942     353.2651 16.42780 360.1003 16.19746 -6.835175      23.07012 
1 1 1 1  5  36  o 280.2477 11.35405 5.438668       0.4393704     5.201641       0.6189302     5.679461       0.6238260     273.1322 16.48813 285.5416 15.88464 -12.40933      22.89499 
1 1 1 1  5  37  o 152.9505 11.38570 1.629260       0.2387408     1.532323       0.3370949     1.726816       0.3381688     147.5155 16.85159 156.8767 15.82758 -9.361206      23.11900 
1 1 1 1  5  38  o 139.6180 9.319640 1.354975       0.1786389     1.367324       0.2529805     1.342692       0.2522880     139.7756 13.26640 138.4875 13.35887 1.288071       18.82702 
1 1 1 1  5  39  o 105.8867 9.467563 0.7822996      0.1369657     0.7834917      0.1937945     0.7811099      0.1936030     105.3736 13.63904 105.2097 13.64813 0.1639633      19.29495 
1 1 1 1  5  40  o 339.7505 9.434066 7.992411       0.4425854     7.752075       0.6230659     8.237186       0.6287940     334.1000 13.50578 344.4373 13.22088 -10.33725      18.89967 
1 1 1 1  5  41  o 62.65064 10.24275 0.2790141      0.8554672E-01 0.2830798      0.1200661     0.2748220      0.1219178     62.57992 14.21794 61.63787 14.55698 0.9420471      20.34836 
1 1 1 1  5  42  o 126.1259 9.634720 1.108581       0.1665265     0.9792318      0.2337207     1.241956       0.2373288     117.7143 14.69945 133.0548 13.08690 -15.34052      19.68097 
1 1 1 1  5  43  o 200.5121 9.296494 2.785828       0.2573936     2.613241       0.3622973     2.961716       0.3657461     193.3285 13.65952 206.0033 12.92327 -12.67480      18.80408 
1 1 1 1  5  44  o 351.6780 9.479218 8.573307       0.4603155     8.498918       0.6497329     8.648271       0.6522432     349.4344 13.46577 352.5052 13.40004 -3.070862      18.99705 
1 1 1 1  5  45  o 99.47503 9.690278 0.6926902      0.1314131     0.6587343      0.1858341     0.7266550      0.1858584     96.16402 14.44123 101.2518 13.64069 -5.087791      19.86498 
1 1 1 1  5  46  o 118.7582 10.61171 0.9870988      0.1721824     0.9150082      0.2211371     1.098097       0.2743977     113.6296 14.41840 124.2175 16.39868 -10.58788      21.83591 
1 1 1 1  5  47  o 194.2613 13.46401 2.644892       0.3589312     2.445608       0.4358058     3.065123       0.6328505     185.8816 17.17340 206.5757 22.55266 -20.69415      28.34693 
1 1 1 1  5  48  o 321.2205 24.22235 7.422650       1.066474      7.422650       1.066474      0.000000       0.000000      321.2205 24.22235 ?        ?        0.000000       24.22235 
1 1 1 1  5  49  o 241.8816 13.32785 4.100370       0.4434266     4.510291       0.7729115     3.899251       0.5413854     250.3445 22.60285 234.8251 16.80758 15.51932       28.16706 
1 1 1 1  5  50  o 159.8783 10.41136 1.785993       0.2285913     1.810322       0.3594267     1.769469       0.2962184     159.5448 16.55615 158.4558 13.67222 1.089035       21.47174 
1 1 1 1  5  51  o 188.7627 8.659918 2.474254       0.2257189     2.412302       0.2977355     2.557984       0.3461330     185.5939 11.67748 190.7639 13.22199 -5.169983      17.64042 
1 1 1 1  5  52  o 317.5673 8.186189 7.001007       0.3589678     6.936219       0.5072641     7.065994       0.5080509     315.2108 11.65454 318.1731 11.56394 -2.962250      16.41807 
1 1 1 1  5  53  o 87.04970 8.549294 0.5314276      0.1014368     0.5036359      0.1430489     0.5595357      0.1438612     83.91388 12.74655 88.68839 12.06009 -4.774506      17.54765 
1 1 1 1  5  54  o 166.1166 8.102030 1.916347       0.1858425     1.885395       0.2628378     1.947290       0.2628041     163.8528 11.69384 166.5796 11.49578 -2.726807      16.39814 
1 1 1 1  5  55  o 299.5109 8.167437 6.231817       0.3377819     6.042640       0.4766535     6.422660       0.4787450     293.9659 11.74270 303.1674 11.43625 -9.201508      16.39142 
1 1 1 1  5  56  o 124.7529 8.258465 1.086035       0.1414570     1.093546       0.2002168     1.078549       0.1998845     124.5089 11.78587 123.6291 11.85437 0.8798752      16.71624 
1 1 1 1  5  57  o 225.8694 8.154216 3.544093       0.2543183     3.516077       0.3597586     3.572078       0.3595621     223.9601 11.67371 225.7709 11.57257 -1.810776      16.43776 
1 1 1 1  5  58  o 358.1165 8.258405 8.909284       0.4083743     8.799371       0.5770605     9.019554       0.5779977     354.7707 11.77974 359.2301 11.65240 -4.459381      16.56927 
1 1 1 1  5  59  o 189.1702 8.116321 2.485134       0.2120068     2.534509       0.3005826     2.436255       0.2990688     190.1477 11.50227 186.3683 11.68049 3.779388       16.39317 
1 1 1 1  5  60  o 136.5962 8.257124 1.300520       0.1550098     1.302845       0.2196160     1.298211       0.2188202     136.0514 11.80731 135.8123 11.78521 0.2390900      16.68244 
1 1 1 1  5  61  o 121.4985 8.324818 1.029908       0.1388216     0.9692734      0.1957907     1.091206       0.1968605     117.1191 12.28991 124.4905 11.58506 -7.371376      16.88951 
1 1 1 1  5  62  o 188.5567 8.141753 2.468084       0.2119814     2.406044       0.2988237     2.530931       0.3007598     185.2701 11.74148 190.0900 11.51265 -4.819931      16.44395 
1 1 1 1  5  63  o 111.5190 8.518583 0.8685976      0.1301837     0.8279334      0.1833376     0.9099523      0.1848874     108.1344 12.50958 113.5419 11.97323 -5.407433      17.31612 
1 1 1 1  5  64  o 192.9924 8.217847 2.585290       0.2189960     2.558419       0.3095300     2.612222       0.3098845     191.0981 11.78782 193.1308 11.67499 -2.032623      16.59091 
1 1 1 1  5  65  o 294.6082 8.217091 6.024239       0.3342727     6.021757       0.4727348     6.026721       0.4727311     293.7621 11.65423 293.8845 11.64929 -0.1223755     16.47808 
1 1 1 1  5  66  o 91.69080 9.413926 0.5905024      0.1174971     0.5659793      0.1660227     0.6151103      0.1663097     88.83087 13.99866 92.83016 13.35929 -3.999290      19.35028 
1 1 1 1  5  67  o 193.2984 8.219147 2.593466       0.2193779     2.571101       0.3099566     2.615915       0.3105387     191.5789 11.77399 193.2663 11.69150 -1.687363      16.59271 
1 1 1 1  5  68  o 142.5076 8.410356 1.414921       0.1647637     1.469104       0.2330382     1.360763       0.2329838     144.6052 11.77313 139.0320 12.26151 5.573257       16.99856 
1 1 1 1  5  69  o 135.0524 8.427140 1.271425       0.1563677     1.326616       0.2213889     1.216484       0.2208866     137.3485 11.78753 131.3678 12.32101 5.980698       17.05149 
1 1 1 1  5  70  o 158.0478 9.661343 1.744623       0.2098328     1.765578       0.2941140     1.722901       0.2994547     158.1178 13.60335 156.0656 14.04637 2.052216       19.55381 
1 1 1 1  5  71  o 148.9445 13.91491 1.571121       0.2828673     1.624245       0.3534119     1.476423       0.4718544     150.4507 17.32840 140.4539 25.25832 9.996826       30.63096 
1 1 1 1  5  72  o 123.4494 13.94156 1.084156       0.2334867     0.7333629      0.4207288     1.240273       0.2806740     98.09735 29.02312 131.6351 15.75464 -33.53772      33.02348 
1 1 1 1  5  73  o 62.91688 13.60438 0.2886161      0.1147493     0.2653356      0.1727331     0.3070058      0.1535207     60.83447 18.72669 64.60732 16.98440 -3.772846      25.28159 
1 1 1 1  5  74  o 210.7372 8.906061 3.091319       0.2591581     2.962626       0.3402358     3.269176       0.3999799     205.2716 12.05657 215.1712 13.53111 -9.899628      18.12324 
1 1 1 1  5  75  o 149.4710 8.499055 1.559592       0.1746899     1.692156       0.2474766     1.427940       0.2466234     154.9890 11.64886 142.0260 12.70996 12.96301       17.24063 
1 1 1 1  5  76  o 204.1224 8.386353 2.900123       0.2363752     2.859334       0.3345649     2.940777       0.3340059     201.4652 12.08238 204.3881 11.88612 -2.922882      16.94886 
1 1 1 1  5  77  o 270.2466 8.330180 5.084601       0.3108513     5.169450       0.4407679     5.000638       0.4384615     271.3725 11.76267 266.8536 11.89927 4.518951       16.73180 
1 1 1 1  5  78  o 107.8474 9.165505 0.8170832      0.1351975     0.8731183      0.1925988     0.7626491      0.1898276     110.6274 12.84742 103.0714 13.67541 7.555977       18.76361 
1 1 1 1  5  79  o 146.8540 8.653955 1.508249       0.1747087     1.598645       0.2483627     1.419703       0.2458080     150.3194 12.06729 141.4077 12.72511 8.911682       17.53704 
1 1 1 1  5  80  o 92.10107 9.445018 0.5983999      0.1184179     0.6880373      0.1696350     0.5132005      0.1653824     98.00426 12.84445 83.88703 14.81960 14.11723       19.61123 
1 1 1 1  5  81  o 47.19271 12.13185 0.1626225      0.7949311E-01 0.2560649      0.1155249     0.7859086E-01  0.1095532     58.96381 14.32948 38.94112 14.78133 20.02269       20.58693 
1 1 1 1  5  82  o 139.7386 8.827941 1.367471       0.1694633     1.473294       0.2425187     1.266499       0.2368948     144.1332 12.30334 133.3405 13.03299 10.79276       17.92292 
1 1 1 1  5  83  o 97.02810 9.366687 0.6636484      0.1239336     0.6455106      0.1783647     0.6805795      0.1723284     94.46786 14.10588 97.32207 13.16112 -2.854218      19.29225 
1 1 1 1  5  84  o 132.0487 9.004174 1.222898       0.1631989     1.190643       0.2326995     1.254121       0.2289427     129.1301 13.23769 132.7469 12.64281 -3.616806      18.30511 
1 1 1 1  5  85  o 28.60828 10.90603 0.4034647E-01  0.5980045E-01 0.1120902E-01  0.8501232E-01 0.6888612E-01  0.8413571E-01 29.49594 12.37323 35.16016 13.03517 -5.664219      17.97255 
1 1 1 1  5  86  o 44.60450 12.78943 0.1439863      0.8284950E-01 0.1404918      0.1181086     0.1473716      0.1162474     45.84571 15.59807 46.46666 15.47467 -0.6209450     21.97193 
1 1 1 1  5  87  o 233.4675 8.549794 3.803194       0.2756260     3.872858       0.3907101     3.734180       0.3888844     234.0610 12.13054 229.7450 12.30314 4.315933       17.27765 
1 1 1 1  5  88  o 84.88216 10.46282 0.5126984      0.1200360     0.5276213      0.1702614     0.4979514      0.1692561     84.85696 15.08351 82.26560 15.46786 2.591354       21.60479 
1 1 1 1  5  89  o 51.85127 12.68904 0.1975271      0.9011067E-01 0.2569818      0.1273081     0.1378334      0.1275637     58.88216 15.46048 46.14326 16.18745 12.73890       22.38437 
1 1 1 1  5  90  o 57.48616 13.13317 0.2432800      0.1019664     0.2772883      0.1431145     0.2082179      0.1453151     61.03368 16.56006 53.98062 17.25652 7.053059       23.91701 
1 1 1 1  5  91  o 46.10043 13.58814 0.1539732      0.9237500E-01 0.1333633      0.1362202     0.1715199      0.1256902     46.23623 16.67464 49.39194 16.07383 -3.155716      23.16056 
1 1 1 1  5  92  o 69.15755 15.06295 0.3556562      0.1397701     0.3185574      0.1706723     0.4312034      0.2435522     65.03542 18.25727 74.91474 22.05877 -9.879326      28.63420 
1 1 1 1  5  93  o 81.99374 17.48019 0.5076346      0.1918626     0.5400281      0.4159174     0.4988780      0.2162455     83.28041 29.22854 80.57875 19.61884 2.701660       35.20236 
1 1 1 1  5  94  f 71.92818 19.26601 0.3990507      0.1951899     0.4793417      0.3954185     0.3731831      0.2244406     78.94412 28.41699 69.59303 21.33368 9.351089       35.53381 
1 1 1 1  5  95  o 177.1594 9.906867 2.224448       0.2413764     2.085795       0.3128682     2.428321       0.3793826     169.6877 13.46340 181.9960 15.23675 -12.30829      20.33278 
1 1 1 1  5  96  o 99.27511 10.62854 0.7083157      0.1434336     0.8464348      0.2020065     0.5678773      0.2036954     107.1812 13.98234 85.81399 17.77506 21.36722       22.61545 
1 1 1 1  5  97  o 41.86852 13.80213 0.1244837      0.9256298E-01 0.2063853      0.1317959     0.4476273E-01  0.1300296     52.39388 16.39582 37.54168 15.48794 14.85220       22.55437 
1 1 1 1  5  98  o 89.78896 11.31408 0.5885126      0.1371605     0.6190022      0.1933981     0.5576568      0.1945556     89.73568 16.20438 84.51521 17.25505 5.220474       23.67105 
1 1 1 1  5  99  o 64.01772 13.20909 0.3106576      0.1128905     0.4083548      0.1607475     0.2155807      0.1585772     72.11143 16.50085 53.37125 18.07426 18.74018       24.47360 
1 1 1 1  5  100 o 71.30456 12.62197 0.3824736      0.1197268     0.3556296      0.1693360     0.4093069      0.1693025     66.34280 18.01870 71.52639 17.32522 -5.183594      24.99674 
1 1 1 1  5  101 o 69.23769 13.32493 0.3654997      0.1227690     0.4327982      0.1741485     0.2990095      0.1730995     73.30235 17.45567 60.66697 18.75838 12.63538       25.62376 
1 1 1 1  5  102 o 78.91217 12.34752 0.4676236      0.1301324     0.4300019      0.1842527     0.5050681      0.1838181     72.33701 18.40250 79.24409 17.28551 -6.907082      25.24759 
1 1 1 1  5  103 o 104.1100 10.86291 0.7959555      0.1538626     0.6532459      0.2166883     0.9410777      0.2185123     89.64330 18.12868 110.7386 14.64988 -21.09529      23.30811 
1 1 1 1  5  104 o 27.28335 11.47986 0.1406976E-01  0.7354055E-01 -0.8321747E-01 0.1024825     0.1173490      0.1055913     25.36331 11.84488 41.09443 14.69602 -15.73112      18.87523 
1 1 1 1  5  105 o 55.19698 14.26441 0.2387880      0.1095034     0.3407005      0.1544677     0.1358301      0.1552578     64.74462 17.04450 45.66233 17.53338 19.08229       24.45270 
1 1 1 1  5  106 o 61.92085 14.12890 0.2990776      0.1181368     0.2607163      0.1674015     0.3371371      0.1667418     56.75694 18.55408 63.98340 18.07536 -7.226463      25.90313 
1 1 1 1  5  107 o 53.03451 14.63175 0.2208512      0.1106392     0.1047746      0.1563639     0.3372355      0.1565711     43.39586 17.31566 64.34235 17.26405 -20.94649      24.45157 
1 1 1 1  5  108 o 56.43109 14.89466 0.2518968      0.1177597     0.3621542      0.1660614     0.1403660      0.1670175     66.32570 17.77253 46.61444 18.10658 19.71125       25.37146 
1 1 1 1  5  109 o 42.58732 15.09888 0.1302724      0.1112302     0.1055174      0.1567683     0.1553682      0.1578437     43.24070 17.30892 47.11537 17.77638 -3.874664      24.81126 
1 1 1 1  5  110 o 67.13667 14.64422 0.3580058      0.1319363     0.2223977      0.1853176     0.4973913      0.1878810     52.97962 19.39616 77.11657 17.97592 -24.13695      26.44513 
1 1 1 1  5  111 o 41.68694 15.76225 0.1194746      0.1242713     0.3981597      0.1721224     -0.1839803     0.1796088     68.14733 18.01713 30.86562 14.78057 37.28171       23.30412 
1 1 1 1  5  112 o 49.54729 20.46890 0.1774005      0.2275520     0.4676262      0.3522065     -0.3054162E-01 0.2981265     65.37939 26.01911 44.28690 20.51850 21.09249       33.13613 
1 1 1 1  5  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  0   o 311.5666 16.46447 6.770860       0.7038140     7.691978       1.000083      5.867000       0.9906703     331.0259 22.10567 287.5598 25.40570 -0.000000      0.000000 
1 1 1 1  6  1   o 486.6820 13.76936 16.39730       0.9253308     15.89243       1.131064      17.41910       1.609086      478.7797 17.10855 500.3617 23.28933 -21.58203      28.89802 
1 1 1 1  6  2   o 201.1151 15.91605 2.819990       0.4383848     2.679251       0.6198297     2.960855       0.6201099     194.8472 23.51301 205.1852 22.24309 -10.33797      32.36691 
1 1 1 1  6  3   o 176.2452 15.87997 2.169630       0.3823101     2.272753       0.5426848     2.068026       0.5386738     179.4305 22.39081 170.8416 23.45348 8.588928       32.42551 
1 1 1 1  6  4   o 224.8716 13.04283 3.511470       0.4032503     3.596388       0.4962686     3.346436       0.6918347     227.2680 15.91438 218.0911 23.33557 9.176880       28.24565 
1 1 1 1  6  5   o 333.0340 11.50880 7.672169       0.5292448     8.134686       0.7478670     7.208169       0.7490649     342.6347 15.80721 322.0110 16.90566 20.62363       23.14453 
1 1 1 1  6  6   o 196.4482 11.23359 2.678016       0.3034576     2.561609       0.4270039     2.796799       0.4313366     191.5643 16.29767 200.2974 15.72194 -8.733063      22.64495 
1 1 1 1  6  7   o 377.9305 11.48448 9.880362       0.5993233     10.26195       0.8509879     9.504843       0.8441953     384.8078 16.01554 370.2971 16.51029 14.51068       23.00189 
1 1 1 1  6  8   o 346.7632 11.40966 8.317851       0.5463157     8.243793       0.7708147     8.392600       0.7744119     344.8799 16.18617 347.9844 16.11663 -3.104523      22.84158 
1 1 1 1  6  9   o 347.8050 11.38599 8.367996       0.5468201     8.068721       0.7701831     8.672199       0.7764963     341.1783 16.34838 353.7454 15.89683 -12.56711      22.80304 
1 1 1 1  6  10  o 607.8901 12.26960 25.57088       1.029896      25.90053       1.463187      25.24720       1.449891      611.1041 17.33990 603.3375 17.40351 7.766602       24.56735 
1 1 1 1  6  11  o 716.4065 12.77385 35.52314       1.263628      36.13108       1.799178      34.93134       1.775144      721.6133 18.05642 709.5192 18.11889 12.09418       25.57985 
1 1 1 1  6  12  o 547.9412 12.10755 20.77609       0.9160691     23.09827       1.331569      18.68941       1.262244      577.1596 16.70820 519.0388 17.61187 58.12079       24.27637 
1 1 1 1  6  13  f 855.3256 13.50740 50.65450       1.595295      49.24062       2.223122      52.15547       2.290566      842.0933 19.11899 866.6537 19.14076 -24.56042      27.05374 
1 1 1 1  6  14  o 404.3093 11.60499 11.31030       0.6478831     11.83175       0.9214076     10.80038       0.9111683     413.1067 16.15294 394.6319 16.72124 18.47473       23.24903 
1 1 1 1  6  15  o 631.7108 12.40561 27.62098       1.082117      27.70811       1.531709      27.53416       1.528984      631.9097 17.55429 629.9188 17.57845 1.990967       24.84260 
1 1 1 1  6  16  o 546.7053 12.05500 20.68576       0.9100357     21.26538       1.297333      20.12427       1.276880      553.6518 16.96981 538.5616 17.17025 15.09021       24.14108 
1 1 1 1  6  17  o 337.4882 11.41842 7.881243       0.5321113     8.181679       0.7568215     7.587543       0.7482891     343.4960 15.95636 330.7499 16.38445 12.74606       22.87041 
1 1 1 1  6  18  o 548.0137 12.07297 20.78744       0.9135735     20.04179       1.280309      21.56093       1.303993      537.3806 17.25420 557.4270 16.94139 -20.04639      24.18095 
1 1 1 1  6  19  o 271.5655 11.29360 5.103326       0.4234920     5.023839       0.5981350     5.183225       0.5996842     268.6354 16.20074 272.9087 15.98329 -4.273224      22.75806 
1 1 1 1  6  20  o 367.8498 11.50347 9.365039       0.5843021     9.468607       0.8271418     9.261878       0.8255165     369.4339 16.21456 365.3624 16.36304 4.071442       23.03608 
1 1 1 1  6  21  o 413.2682 11.65308 11.82210       0.6649832     11.91831       0.9409451     11.72610       0.9399123     414.4166 16.44331 411.0463 16.55993 3.370361       23.33696 
1 1 1 1  6  22  o 237.8382 11.27119 3.915234       0.3701600     3.806744       0.5220017     4.024967       0.5249815     233.6447 16.28175 240.3318 15.90957 -6.687073      22.76422 
1 1 1 1  6  23  o 480.4129 11.86903 15.98031       0.7873500     15.74710       1.109094      16.21724       1.117921      476.1987 16.86716 483.2739 16.75251 -7.075195      23.77283 
1 1 1 1  6  24  o 434.4102 11.72196 13.06680       0.7031342     13.32117       0.9968556     12.81494       0.9919264     437.9978 16.48247 429.5587 16.72318 8.439087       23.48056 
1 1 1 1  6  25  o 317.6153 11.41394 6.984725       0.5005816     7.077617       0.7088012     6.892290       0.7070606     318.8634 16.15106 314.6219 16.33150 4.241577       22.96899 
1 1 1 1  6  26  o 120.7182 11.48957 1.018233       0.1892098     0.9936510      0.2680275     1.042653       0.2671410     118.4173 16.86861 121.4472 16.34503 -3.029869      23.48851 
1 1 1 1  6  27  o 317.3950 11.42992 6.977120       0.5009347     6.913032       0.7083263     7.041245       0.7085311     315.0023 16.34090 317.9425 16.19244 -2.940247      23.00479 
1 1 1 1  6  28  o 68.69070 12.30041 0.3368662      0.1123846     0.3002021      0.1584701     0.3739646      0.1594058     64.60457 17.38279 71.93393 16.41121 -7.329361      23.90584 
1 1 1 1  6  29  o 116.4298 11.53484 0.9484044      0.1830044     0.8985732      0.2580252     0.9988443      0.2595966     112.3777 17.17334 118.7775 16.25456 -6.399788      23.64602 
1 1 1 1  6  30  o 165.2663 11.34878 1.901605       0.2574137     1.870427       0.3641537     1.932744       0.3639221     163.1591 16.38486 165.9305 16.08545 -2.771362      22.96095 
1 1 1 1  6  31  o 43.46227 12.33475 0.1343102      0.7746347E-01 0.1205323      0.1106500     0.1475535      0.1084820     43.75975 15.09158 46.61669 14.91076 -2.856945      21.21525 
1 1 1 1  6  32  o 103.8833 11.70113 0.7578363      0.1649235     0.8301115      0.2338055     0.6862596      0.2326728     108.0203 16.17260 97.68655 17.90935 10.33375       24.13085 
1 1 1 1  6  33  o 158.7470 11.43335 1.756897       0.2489427     1.788738       0.3526448     1.725266       0.3514744     159.4107 16.24786 156.4772 16.51645 2.933441       23.16864 
1 1 1 1  6  34  o 318.5240 11.48503 7.040073       0.5051407     7.112220       0.7146253     6.968027       0.7141286     318.9424 16.28085 315.6454 16.44159 3.297089       23.13854 
1 1 1 1  6  35  o 114.3052 11.71186 0.9164751      0.1822444     0.8989802      0.2565516     0.9342960      0.2589300     112.2056 17.09908 114.4774 16.88758 -2.271751      24.03267 
1 1 1 1  6  36  o 62.58752 12.77760 0.2821691      0.1066912     0.1909180      0.1504103     0.3745793      0.1513625     53.40648 17.59351 71.90730 15.68571 -18.50081      23.57060 
1 1 1 1  6  37  o 172.1832 11.44257 2.068137       0.2705036     2.159291       0.3835517     1.977929       0.3815557     175.1043 16.04144 167.3794 16.73311 7.724899       23.18027 
1 1 1 1  6  38  o 257.5047 11.40480 4.607172       0.4055185     4.548824       0.5728782     4.665770       0.5741032     254.5075 16.38849 257.8183 16.20894 -3.310776      23.05021 
1 1 1 1  6  39  o 294.4317 11.47524 6.026507       0.4665351     6.001309       0.6598707     6.051690       0.6596898     292.3284 16.41385 293.5790 16.33804 -1.250610      23.15914 
1 1 1 1  6  40  o 292.6611 16.48276 6.023449       0.6633782     5.240403       0.9275767     6.843276       0.9491108     269.5963 25.20976 309.7008 22.34411 -40.10446      33.68666 
1 1 1 1  6  41  o 183.4856 24.03865 2.442924       0.5943963     2.442924       0.5943963     0.000000       0.000000      183.4856 24.03865 ?        ?        0.000000       24.03865 
1 1 1 1  6  42  o 218.1880 16.26279 3.361889       0.4864448     3.513120       0.6903625     3.212765       0.6855366     220.6726 22.99412 210.5263 24.01190 10.14627       33.24607 
1 1 1 1  6  43  o 235.5788 16.28041 3.920704       0.5263407     3.858668       0.7433884     3.983065       0.7453316     230.8339 23.65681 234.7143 23.30517 -3.880371      33.20807 
1 1 1 1  6  44  o 88.24807 12.42408 0.5540915      0.1472023     0.5148001      0.2090417     0.5927384      0.2073199     83.72243 18.56863 90.24471 17.26632 -6.522278      25.35586 
1 1 1 1  6  45  o 143.2620 9.401786 1.432777       0.1849537     1.437476       0.2615892     1.428079       0.2615388     142.6868 13.43513 142.2054 13.48034 0.4814453      19.03214 
1 1 1 1  6  46  o 178.5382 9.367550 2.222659       0.2301316     2.242426       0.3255532     2.202917       0.3253574     178.4460 13.30798 176.8273 13.42542 1.618607       18.90355 
1 1 1 1  6  47  o 221.6528 9.359305 3.417552       0.2864540     3.466167       0.4050980     3.368931       0.4051161     222.0073 13.27548 218.8005 13.47444 3.206863       18.91557 
1 1 1 1  6  48  o 221.4013 9.377220 3.410715       0.2866766     3.367137       0.4050010     3.454474       0.4058441     218.6877 13.47768 221.5630 13.32751 -2.875351      18.95443 
1 1 1 1  6  49  o 391.1298 9.629603 10.65212       0.5200766     10.28144       0.7312942     11.03145       0.7397780     382.5431 13.84439 396.4117 13.51503 -13.86859      19.34743 
1 1 1 1  6  50  o 249.8905 9.424081 4.347193       0.3251821     4.223021       0.4581037     4.473305       0.4616710     244.8451 13.60346 252.1234 13.30830 -7.278320      19.03064 
1 1 1 1  6  51  o 328.9761 9.534060 7.535391       0.4330920     7.450123       0.6110550     7.621461       0.6139244     325.7002 13.58702 329.4618 13.49497 -3.761627      19.14997 
1 1 1 1  6  52  o 145.2907 9.587430 1.475942       0.1912625     1.461583       0.2700886     1.490386       0.2708851     143.6245 13.78829 145.0724 13.68433 -1.447952      19.42622 
1 1 1 1  6  53  o 172.2935 9.508523 2.072250       0.2253385     2.007680       0.3181809     2.137224       0.3191749     168.5602 13.79115 174.0600 13.38233 -5.499817      19.21672 
1 1 1 1  6  54  o 181.4765 9.502717 2.297981       0.2372975     2.197826       0.3349521     2.398901       0.3362303     176.4162 13.86173 184.5183 13.28543 -8.102066      19.20027 
1 1 1 1  6  55  o 332.4011 9.564878 7.688885       0.4390155     7.746888       0.6213480     7.631064       0.6203766     332.3427 13.53975 329.8175 13.62209 2.525238       19.20641 
1 1 1 1  6  56  o 110.8900 9.860015 0.8625192      0.1494009     0.7329313      0.2106478     0.9936864      0.2119274     100.8889 15.62607 118.4046 13.18624 -17.51572      20.44629 
1 1 1 1  6  57  o 271.9064 9.459819 5.141923       0.3551732     5.166965       0.5024664     5.116917       0.5021153     271.5731 13.39931 270.2379 13.45610 1.335114       18.98968 
1 1 1 1  6  58  o 294.2394 9.491880 6.020631       0.3856480     6.033307       0.5453615     6.007955       0.5454157     293.4856 13.45735 292.8589 13.48749 0.6266785      19.05289 
1 1 1 1  6  59  o 53.76195 11.64543 0.2093502      0.8395014E-01 0.1509427      0.1181484     0.2689087      0.1193069     47.30801 15.59333 60.71742 14.44093 -13.40940      21.25306 
1 1 1 1  6  60  o 117.4231 10.09100 0.9664855      0.1620264     0.8648018      0.2280480     1.070140       0.2302477     109.8765 15.45830 122.8409 13.81381 -12.96447      20.73114 
1 1 1 1  6  61  o 150.0354 9.797656 1.572391       0.2018659     1.392649       0.2839691     1.756014       0.2870183     140.0582 14.91270 157.8536 13.29161 -17.79543      19.97638 
1 1 1 1  6  62  f 233.7532 9.495210 3.799242       0.3064786     3.770369       0.4330772     3.828209       0.4337760     231.6250 13.60039 233.4266 13.51573 -1.801605      19.17409 
1 1 1 1  6  63  o 75.79611 11.14854 0.4088637      0.1131958     0.3070131      0.1586996     0.5143450      0.1615034     64.79380 17.37923 84.50529 14.35425 -19.71149      22.54067 
1 1 1 1  6  64  o 61.15405 9.708435 0.2664458      0.7924148E-01 0.2684889      0.1119200     0.2643921      0.1122093     60.72963 13.67561 60.24811 13.78639 0.4815216      19.41873 
1 1 1 1  6  65  o 167.2840 8.260633 1.943035       0.1908120     1.964138       0.2701354     1.922020       0.2695633     167.3056 11.76812 165.4681 11.87702 1.837433       16.71982 
1 1 1 1  6  66  o 290.7124 10.44694 5.890224       0.4193636     5.892694       0.5398965     5.886468       0.6658559     289.8669 13.48882 288.0233 16.81536 1.843689       21.55701 
1 1 1 1  6  67  o 182.4488 24.06832 2.453976       0.5915506     0.000000       0.000000      2.453976       0.5915506     ?        ?        182.4488 24.06832 0.000000       24.06832 
1 1 1 1  6  68  o 96.12778 12.50168 0.6577840      0.1620144     0.8239017      0.3391092     0.6086512      0.1844241     104.5008 24.00581 91.78352 15.07529 12.71725       28.34684 
1 1 1 1  6  69  f 178.1893 10.56950 2.223963       0.2588984     2.055819       0.4043100     2.340830       0.3370694     169.1644 17.56490 182.0183 13.50749 -12.85388      22.15802 
1 1 1 1  6  70  o 221.9696 8.820442 3.429274       0.2703472     3.486499       0.3575554     3.352895       0.4130859     222.8539 11.65996 217.8073 13.80644 5.046616       18.07131 
1 1 1 1  6  71  o 152.0968 8.406998 1.614370       0.1758773     1.587896       0.2477557     1.641264       0.2497120     149.9976 12.06396 152.5428 11.95080 -2.545212      16.98119 
1 1 1 1  6  72  o 88.03111 9.059685 0.5456637      0.1085529     0.4952791      0.1526182     0.5972530      0.1544319     82.73707 13.84824 91.36736 12.57390 -8.630295      18.70499 
1 1 1 1  6  73  o 93.43291 8.926177 0.6138787      0.1137593     0.5650246      0.1609840     0.6626068      0.1607760     88.52615 13.60503 96.33526 12.37237 -7.809105      18.38946 
1 1 1 1  6  74  o 43.50020 11.47392 0.1375356      0.6991139E-01 0.7540139E-01  0.9953516E-01 0.1980354      0.9821730E-01 37.59645 14.13048 52.01222 13.54258 -14.41577      19.57223 
1 1 1 1  6  75  o 47.61094 10.72279 0.1649392      0.6879922E-01 0.2066740      0.9889047E-01 0.1257905      0.9577775E-01 53.09422 13.46798 42.88853 14.03501 10.20569       19.45169 
1 1 1 1  6  76  o 57.65667 11.02891 0.2405972      0.8460569E-01 0.2737139      0.1213088     0.2092314      0.1180584     60.94896 14.60517 53.54601 15.23836 7.402943       21.10731 
1 1 1 1  6  77  o 80.79102 9.975486 0.4631347      0.1089215     0.4661272      0.1550536     0.4602194      0.1530427     79.90733 14.59025 79.41376 14.49052 0.4935608      20.56333 
1 1 1 1  6  78  o 138.4188 8.701461 1.341246       0.1654663     1.264417       0.2343038     1.417683       0.2337068     133.2827 12.89221 141.4431 12.08198 -8.160461      17.66870 
1 1 1 1  6  79  o 78.67415 9.561761 0.4387420      0.1017389     0.3767372      0.1443881     0.4998825      0.1433781     71.51028 15.09654 83.24828 12.88955 -11.73800      19.85059 
1 1 1 1  6  80  o 107.8996 9.266337 0.8190918      0.1367199     0.8654757      0.1945410     0.7738259      0.1921828     109.9559 13.06906 103.6879 13.76304 6.267982       18.97951 
1 1 1 1  6  81  o 56.77222 12.07966 0.2353385      0.9178615E-01 0.2453713      0.1302867     0.2254526      0.1293290     57.68078 15.86317 55.48372 15.99969 2.197056       22.53065 
1 1 1 1  6  82  o 32.21191 11.84797 0.5867762E-01  0.6926177E-01 0.8078570E-01  0.9894504E-01 0.3743624E-01  0.9698622E-01 38.02541 14.12827 33.57442 13.55246 4.450989       19.57747 
1 1 1 1  6  83  o 78.42705 9.964692 0.4373122      0.1054755     0.3717560      0.1502752     0.5009663      0.1480789     70.81515 15.77266 83.16105 13.34685 -12.34590      20.66193 
1 1 1 1  6  84  o 163.0961 8.737927 1.862104       0.1960687     1.912017       0.2774197     1.812290       0.2771465     164.1721 12.32772 159.6895 12.67298 4.482574       17.67985 
1 1 1 1  6  85  o 57.59233 10.82756 0.2402498      0.8294505E-01 0.2459183      0.1168342     0.2344896      0.1177755     57.67615 14.64372 56.34691 14.90678 1.329243       20.89619 
1 1 1 1  6  86  o 119.2697 9.530716 1.001905       0.1556507     0.8941953      0.2182684     1.113355       0.2220264     111.1539 14.57195 124.7283 13.08645 -13.57434      19.58563 
1 1 1 1  6  87  o 92.44016 9.884462 0.6056800      0.1242132     0.5975186      0.1754300     0.6138850      0.1758988     90.49131 14.53153 91.80729 14.34477 -1.315979      20.41905 
1 1 1 1  6  88  o 42.03597 13.95290 0.1207171      0.9453659E-01 0.7164757E-01  0.1294810     0.1767381      0.1383490     40.22602 15.84936 50.49106 16.88322 -10.26504      23.15697 
1 1 1 1  6  89  o 52.63145 17.54611 0.1945578      0.1494378     0.1911274      0.2430430     0.1966430      0.1894892     57.40386 21.96194 54.77273 19.67639 2.631130       29.48706 
1 1 1 1  6  90  o 101.6059 15.63591 0.7616907      0.2123379     0.3410710      0.4115277     0.9143019      0.2478834     72.87698 28.39017 111.0443 16.68207 -38.16729      32.92861 
1 1 1 1  6  91  o 86.99377 14.80375 0.5607200      0.1714576     0.7239913      0.2354054     0.3762401      0.2502281     97.64774 18.12622 69.94927 22.67456 27.69846       29.02922 
1 1 1 1  6  92  o 211.2343 10.23864 3.160172       0.2986378     3.235313       0.4098872     3.075154       0.4359961     210.9242 14.15549 204.5537 15.55259 6.370483       21.03000 
1 1 1 1  6  93  o 138.6234 10.56849 1.374528       0.2007717     1.493010       0.2843280     1.256700       0.2835418     142.2844 14.68292 129.5443 16.20574 12.74007       21.86810 
1 1 1 1  6  94  f 68.55246 13.53355 0.3529078      0.1235599     0.3496492      0.1751281     0.3561377      0.1743546     66.61013 18.42146 67.24146 18.29251 -0.6313324     25.96086 
1 1 1 1  6  95  o 56.02429 13.82964 0.2393178      0.1063399     0.2383891      0.1518901     0.2402106      0.1489284     55.65875 17.62673 55.80751 17.42321 -0.1487617     24.78446 
1 1 1 1  6  96  o 34.10191 10.37138 0.8434062E-01  0.5318328E-01 0.1559466      0.8135685E-01 0.3090804E-01  0.7027848E-01 45.45723 12.54932 28.64194 11.54526 16.81529       17.05223 
1 1 1 1  6  97  o 31.99162 12.84435 0.4282278E-01  0.8660885E-01 0.5617235E-02  0.1241183     0.7813059E-01  0.1209114     33.71893 14.56842 38.82486 15.30997 -5.105934      21.13372 
1 1 1 1  6  98  o 27.97591 11.83076 0.1190789E-01  0.7874207E-01 0.4402971E-01  0.1147251     -0.1670154E-01 0.1082712     35.31280 14.55576 30.13559 13.29888 5.177210       19.71625 
1 1 1 1  6  99  o 46.81571 14.10538 0.1679678      0.9870937E-01 0.2093373      0.1438459     0.1311500      0.1357021     51.91945 17.21021 44.32203 16.53029 7.597416       23.86298 
1 1 1 1  6  100 o 100.0999 11.49278 0.7413340      0.1559732     0.8225564      0.2321322     0.6744836      0.2105960     101.6451 17.14939 91.78635 17.24958 9.858734       24.32385 
1 1 1 1  6  101 f 60.91526 14.09356 0.2894210      0.1161918     0.4625584      0.1650323     0.1192402      0.1636170     76.21342 16.18203 44.94953 17.78276 31.26389       24.04339 
1 1 1 1  6  102 o 71.84389 13.09204 0.3942601      0.1250926     0.3095462      0.1758196     0.4811039      0.1780161     61.14626 18.90497 77.12864 17.15790 -15.98238      25.53020 
1 1 1 1  6  103 o 56.35700 14.16172 0.2484385      0.1100715     0.3142684      0.1552605     0.1819186      0.1560721     62.08634 17.40784 49.53969 17.85087 12.54665       24.93364 
1 1 1 1  6  104 f 70.07555 13.53655 0.3776061      0.1262407     0.3781658      0.1794598     0.3770578      0.1776173     67.46663 18.64361 67.43312 18.51211 0.3350830E-01  26.27322 
1 1 1 1  6  105 o 60.08105 15.08928 0.2859937      0.1250111     0.3867762      0.1786822     0.1893649      0.1749613     68.20174 18.50331 50.76378 18.80188 17.43795       26.37959 
1 1 1 1  6  106 o 77.21605 14.36576 0.4643016      0.1475330     0.5340518      0.2120859     0.3989037      0.2053628     79.40978 19.48745 68.03195 20.31115 11.37783       28.14789 
1 1 1 1  6  107 o 59.81251 16.35756 0.2923100      0.1389887     0.1702517      0.2106503     0.3864165      0.1849645     50.29754 20.08881 67.23973 19.05222 -16.94219      27.68659 
1 1 1 1  6  108 o 126.1769 12.74009 1.213356       0.2189282     1.673305       0.3113345     0.7634515      0.3079162     144.8103 15.82776 88.69339 24.38470 56.11694       29.07115 
1 1 1 1  6  109 f 40.65812 17.30578 0.6844480E-01  0.1703283     0.3218285      0.2200042     -0.3106706     0.2691085     59.13618 21.20607 35.28140 17.18139 23.85478       27.29281 
1 1 1 1  6  110 o 47.66945 21.12679 0.1172071      0.2761144     0.000000       0.000000      0.1172071      0.2761144     ?        ?        47.66945 21.12679 0.000000       21.12679 
1 1 1 1  6  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  0   o 406.8392 16.68128 11.52245       0.9335284     11.36242       1.325302      11.68003       1.315173      402.1865 24.06156 407.9788 23.52468 0.000000       0.000000 
1 1 1 1  7  1   o 282.1414 13.14757 5.518448       0.5122128     5.648596       0.6308592     5.266674       0.8774424     284.7115 16.11293 273.4490 23.46563 11.26254       28.46511 
1 1 1 1  7  2   o 342.4399 16.18979 8.146572       0.7655325     7.552749       1.074865      8.757864       1.090559      327.6898 23.92013 353.3569 22.46775 -25.66711      32.81725 
1 1 1 1  7  3   o 321.1900 16.05649 7.166404       0.7121158     6.875121       1.005257      7.459814       1.008921      312.6678 23.45481 325.9807 22.55303 -13.31290      32.53870 
1 1 1 1  7  4   o 516.1016 16.93044 18.51694       1.206540      17.35271       1.680105      19.75674       1.733769      497.7645 24.44413 531.3738 23.62943 -33.60925      33.99802 
1 1 1 1  7  5   o 328.7891 13.26010 7.495446       0.6020079     7.432411       0.7385877     7.620215       1.039112      326.6277 16.42855 329.3385 22.99407 -2.710724      28.25994 
1 1 1 1  7  6   o 494.1930 13.79259 16.94059       0.9411967     16.77570       1.151337      17.27277       1.634149      491.1937 16.97508 496.7253 23.82525 -5.531555      29.25399 
1 1 1 1  7  7   o 486.0265 11.91209 16.36657       0.7994401     16.38036       1.127774      16.35265       1.133405      485.3825 16.82674 484.9517 16.92578 0.4307556      23.86674 
1 1 1 1  7  8   o 596.8705 12.29750 24.69002       1.013526      25.45130       1.443979      23.95076       1.422938      604.8816 17.28830 586.7090 17.56408 18.17255       24.64512 
1 1 1 1  7  9   o 408.5781 11.63523 11.56561       0.6564295     12.39183       0.9391132     10.77627       0.9179129     422.2491 16.10687 393.6337 16.88773 28.61533       23.33724 
1 1 1 1  7  10  o 522.2262 11.95407 18.89933       0.8620101     18.26805       1.207812      19.55470       1.230641      512.4395 17.06943 530.2394 16.80821 -17.79993      23.95582 
1 1 1 1  7  11  o 248.8655 11.22920 4.290443       0.3858793     4.326989       0.5454813     4.253834       0.5459504     248.9978 15.94907 246.8487 16.10536 2.149124       22.66618 
1 1 1 1  7  12  o 302.5670 11.33329 6.342838       0.4734950     6.539157       0.6719992     6.149272       0.6672719     306.2795 15.94470 296.9112 16.33852 9.368256       22.82938 
1 1 1 1  7  13  o 135.5730 11.34268 1.282430       0.2103866     1.336037       0.2980404     1.229188       0.2970254     137.7083 15.97038 131.8878 16.68298 5.820511       23.09491 
1 1 1 1  7  14  o 213.1632 11.28231 3.157565       0.3309022     3.193771       0.4678834     3.121333       0.4680493     213.6972 15.97173 211.2121 16.17137 2.485077       22.72905 
1 1 1 1  7  15  o 146.3094 11.34298 1.492514       0.2273681     1.472897       0.3213170     1.512188       0.3217777     144.5685 16.38553 146.5459 16.17106 -1.977371      23.02149 
1 1 1 1  7  16  o 164.0816 11.31452 1.875004       0.2547837     1.873734       0.3599655     1.876279       0.3606727     163.2913 16.17754 163.3994 16.19890 -0.1081085     22.89361 
1 1 1 1  7  17  o 192.3182 11.29095 2.572881       0.2985244     2.664723       0.4225446     2.481358       0.4218108     195.0404 15.82600 188.0620 16.40781 6.978485       22.79646 
1 1 1 1  7  18  o 131.5360 11.39439 1.208633       0.2049095     1.157517       0.2896563     1.259841       0.2899157     127.8061 16.82191 133.5737 16.03928 -5.767586      23.24296 
1 1 1 1  7  19  o 101.7998 11.58242 0.7280087      0.1599127     0.6741421      0.2263255     0.7817093      0.2259764     96.83902 17.57282 104.7434 16.14283 -7.904366      23.86200 
1 1 1 1  7  20  o 194.5014 11.28453 2.632746       0.3017682     2.690446       0.4275454     2.575465       0.4259883     195.8655 15.94678 191.5480 16.25940 4.317535       22.77428 
1 1 1 1  7  21  o 233.8612 11.26373 3.794175       0.3637295     3.826036       0.5147671     3.762408       0.5140163     233.7294 16.04716 231.7448 16.16431 1.984589       22.77710 
1 1 1 1  7  22  o 268.8959 11.32846 5.017761       0.4206231     5.015184       0.5950587     5.020333       0.5946433     267.6415 16.17760 267.7839 16.15745 -0.1423950     22.86434 
1 1 1 1  7  23  o 150.6238 11.42000 1.583736       0.2357514     1.609573       0.3334160     1.557904       0.3333897     151.0201 16.24416 148.4891 16.54108 2.531036       23.18362 
1 1 1 1  7  24  o 397.8525 11.65947 10.99234       0.6405293     11.42515       0.9108517     10.56891       0.9009205     404.4841 16.30828 388.9038 16.77669 15.58032       23.39695 
1 1 1 1  7  25  o 128.5716 11.50775 1.157094       0.2021417     1.176715       0.2858709     1.137473       0.2858722     128.7644 16.45442 126.4958 16.78076 2.268578       23.50195 
1 1 1 1  7  26  o 249.1102 11.37654 4.310440       0.3913269     4.354341       0.5536597     4.266615       0.5531802     249.1018 16.18412 246.5304 16.34285 2.571411       23.00032 
1 1 1 1  7  27  o 115.7637 11.61236 0.9404650      0.1831204     0.8627941      0.2578280     1.019529       0.2601302     109.6474 17.62635 119.7226 16.14725 -10.07523      23.90443 
1 1 1 1  7  28  o 181.1056 11.40158 2.288406       0.2836692     2.330665       0.4007557     2.245972       0.4015834     181.8388 16.12820 178.3968 16.48892 3.441986       23.06520 
1 1 1 1  7  29  o 137.2421 16.78510 1.339117       0.3114599     1.035902       0.4388251     1.646924       0.4421351     117.8545 27.47257 151.0593 21.83002 -33.20486      35.08978 
1 1 1 1  7  30  o 276.8736 16.43338 5.393604       0.6254569     5.582328       0.8874099     5.207310       0.8816773     279.1326 23.23482 269.2192 23.96802 9.913391       33.38147 
1 1 1 1  7  31  o 132.7532 16.88437 1.256611       0.3025021     1.305885       0.4284084     1.207615       0.4271992     133.3212 24.16097 127.8121 25.10156 5.509033       34.84022 
1 1 1 1  7  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  33  f 99.98019 17.04559 0.7222866      0.2268830     0.5526099      0.3198937     0.8940314      0.3218373     86.61136 25.21755 110.2111 21.91973 -23.59969      33.41256 
1 1 1 1  7  34  f 156.1873 16.35351 1.733754       0.3474623     1.872337       0.4925688     1.596495       0.4902115     160.2883 22.90647 147.0408 25.04135 13.24747       33.93782 
1 1 1 1  7  35  o 199.1181 11.45732 2.772754       0.3136866     2.820154       0.4442413     2.725619       0.4430010     199.5437 16.26439 196.0721 16.51636 3.471573       23.18017 
1 1 1 1  7  36  o 116.8219 11.75296 0.9615436      0.1870141     0.9794258      0.2647427     0.9437328      0.2642138     116.6948 16.92365 114.4208 17.25961 2.274002       24.17238 
1 1 1 1  7  37  o 345.4764 11.62123 8.330351       0.5543812     8.282348       0.7836008     8.378453       0.7844266     342.5749 16.56538 344.5927 16.48574 -2.017761      23.37074 
1 1 1 1  7  38  o 141.2211 11.68359 1.401866       0.2257853     1.380886       0.3186818     1.423012       0.3199390     138.7978 16.98210 140.9920 16.76214 -2.194199      23.86129 
1 1 1 1  7  39  o 211.9786 11.54392 3.147072       0.3366228     3.059870       0.4753094     3.234825       0.4768072     207.3985 16.73975 213.4383 16.30156 -6.039795      23.36579 
1 1 1 1  7  40  o 384.1535 11.78961 10.31460       0.6253777     9.987587       0.8801613     10.64801       0.8887362     375.5642 16.97227 387.9993 16.58838 -12.43509      23.73252 
1 1 1 1  7  41  o 274.3164 11.56233 5.258863       0.4379609     5.484258       0.6209192     5.035705       0.6178328     278.0646 16.24218 266.1197 16.90107 11.94492       23.44044 
1 1 1 1  7  42  o 234.0697 11.54863 3.829769       0.3732620     3.730338       0.5266173     3.930155       0.5291361     228.8906 16.77900 235.1262 16.40049 -6.235596      23.46297 
1 1 1 1  7  43  o 170.9671 11.61722 2.052520       0.2726268     1.979671       0.3850130     2.125779       0.3860942     166.3086 17.00492 172.6003 16.39687 -6.291656      23.62255 
1 1 1 1  7  44  o 152.9002 11.70362 1.643703       0.2452199     1.706354       0.3468670     1.581105       0.3467196     154.4607 16.51937 148.3898 17.24287 6.070862       23.87899 
1 1 1 1  7  45  o 375.7227 11.76623 9.868862       0.6104397     9.811227       0.8623912     9.926740       0.8641959     372.2445 16.77792 374.4653 16.71332 -2.220764      23.68192 
1 1 1 1  7  46  o 224.3600 11.58006 3.525880       0.3575286     3.452236       0.5050322     3.599868       0.5062134     220.2959 16.72746 225.1084 16.39836 -4.812546      23.42465 
1 1 1 1  7  47  o 207.7732 11.61876 3.024823       0.3320044     3.039776       0.4694508     3.009861       0.4695995     206.7345 16.58482 205.6745 16.67884 1.060043       23.52105 
1 1 1 1  7  48  o 143.1369 11.87944 1.441243       0.2326714     1.496624       0.3289121     1.385772       0.3291821     144.5828 16.78745 138.8234 17.56563 5.759369       24.29752 
1 1 1 1  7  49  o 246.4998 11.56105 4.242512       0.3935065     4.292145       0.5567580     4.192970       0.5562467     246.0090 16.48530 243.0644 16.67408 2.944626       23.44760 
1 1 1 1  7  50  o 245.2421 11.58236 4.198361       0.3922204     3.982764       0.5526230     4.417204       0.5567669     236.8015 17.01419 249.7469 16.23301 -12.94542      23.51581 
1 1 1 1  7  51  o 196.2720 9.387787 2.678593       0.2544249     2.621905       0.3589242     2.735846       0.3607047     192.9931 13.55458 197.2234 13.32323 -4.230331      19.00619 
1 1 1 1  7  52  o 70.49261 10.95297 0.3542961      0.1031532     0.3078111      0.1453026     0.4015282      0.1464656     64.84755 16.25768 74.36523 14.78421 -9.517677      21.97465 
1 1 1 1  7  53  o 89.81301 10.06077 0.5681878      0.1226260     0.5945737      0.1733153     0.5417383      0.1735235     91.03656 14.25526 86.62715 15.05292 4.409409       20.73168 
1 1 1 1  7  54  o 269.5030 9.486466 5.049904       0.3530255     4.855749       0.4974531     5.246894       0.5010735     262.9185 13.75006 273.7994 13.25351 -10.88086      19.09764 
1 1 1 1  7  55  o 190.7886 9.503720 2.530878       0.2503710     2.428498       0.3531043     2.634396       0.3550600     185.6615 13.87372 193.5476 13.36737 -7.886139      19.26568 
1 1 1 1  7  56  o 164.5401 9.559915 1.888813       0.2162657     1.844991       0.3051780     1.933021       0.3065182     161.7045 13.79973 165.6136 13.52161 -3.909149      19.32011 
1 1 1 1  7  57  f 100.6563 10.12391 0.7121173      0.1388022     0.6600237      0.1952290     0.7653655      0.1973805     95.77096 15.27620 103.5524 14.17629 -7.781403      20.84057 
1 1 1 1  7  58  f 146.8108 9.700654 1.505745       0.1955430     1.519894       0.2769984     1.491691       0.2760829     146.6224 13.84557 145.2205 13.93936 1.401840       19.64702 
1 1 1 1  7  59  o 166.4553 9.678500 1.934125       0.2214954     2.046293       0.3144236     1.823627       0.3120733     170.3764 13.47491 160.5880 14.22068 9.788498       19.59084 
1 1 1 1  7  60  o 171.0363 12.03565 2.054347       0.2824351     1.912622       0.3936174     2.204754       0.4054946     163.3833 17.73196 175.8176 16.91125 -12.43428      24.50332 
1 1 1 1  7  61  o 143.1419 17.54662 1.473238       0.3395531     1.473238       0.3395531     0.000000       0.000000      143.1419 17.54662 ?        ?        0.000000       17.54662 
1 1 1 1  7  62  o 72.85685 18.48127 0.3923095      0.1862125     0.5658296      0.2811399     0.2566872      0.2485497     86.86486 23.05556 63.35487 22.55881 23.50999       32.25614 
1 1 1 1  7  63  o 231.8277 13.51065 3.788140       0.4306189     4.189242       0.7568111     3.596114       0.5236484     239.2333 23.20184 224.5118 17.01782 14.72148       28.77380 
1 1 1 1  7  64  o 204.6357 9.596573 2.917821       0.2711661     2.817016       0.3835274     3.018584       0.3834463     199.5821 14.00542 206.8003 13.50223 -7.218231      19.45410 
1 1 1 1  7  65  o 220.5393 9.615864 3.390747       0.2928277     3.524733       0.4152814     3.258248       0.4129701     223.4171 13.52507 214.5985 14.01344 8.818542       19.47573 
1 1 1 1  7  66  o 171.5231 9.718336 2.058857       0.2292260     1.990931       0.3239294     2.126989       0.3244202     167.4078 14.14561 173.2261 13.67421 -5.818314      19.67440 
1 1 1 1  7  67  f 201.9260 9.615589 2.845376       0.2681057     2.920369       0.3796007     2.770730       0.3787182     203.0610 13.61710 197.6382 13.96732 5.422821       19.50670 
1 1 1 1  7  68  o 231.3651 9.648194 3.737236       0.3082350     3.782041       0.4348310     3.691983       0.4369974     231.0764 13.68884 228.1949 13.93547 2.881577       19.53411 
1 1 1 1  7  69  o 230.4659 9.760015 3.710326       0.3105955     3.530902       0.4365572     3.894242       0.4419898     222.9384 14.25600 234.4099 13.71498 -11.47148      19.78217 
1 1 1 1  7  70  o 66.72047 12.24743 0.3225046      0.1086764     0.3653929      0.1553990     0.2814507      0.1520393     70.23464 16.33246 61.76061 17.19450 8.474030       23.71498 
1 1 1 1  7  71  o 119.6936 10.39315 1.010045       0.1700684     0.8862382      0.2411628     1.132527       0.2398685     110.3647 16.31686 125.7721 14.05200 -15.40742      21.53366 
1 1 1 1  7  72  o 232.1986 9.744486 3.768408       0.3124327     3.768577       0.4431627     3.768240       0.4405420     230.3230 14.00080 230.3510 13.91563 -0.2801514E-01 19.73999 
1 1 1 1  7  73  o 58.00034 12.55025 0.2458550      0.9759370E-01 0.1488276      0.1408001     0.3355762      0.1353952     48.20588 16.99875 67.47900 14.92675 -19.27312      22.62223 
1 1 1 1  7  74  o 124.9920 10.51201 1.101985       0.1797440     1.177141       0.2571714     1.030209       0.2513224     127.9207 14.83479 119.3007 15.63250 8.620026       21.55101 
1 1 1 1  7  75  o 54.23567 13.52718 0.2161569      0.1009645     0.3187744      0.1444187     0.1180541      0.1412061     65.54094 16.07905 45.43338 16.87846 20.10756       23.31134 
1 1 1 1  7  76  o 128.0827 10.49352 1.157264       0.1839589     1.202791       0.2608151     1.112194       0.2595042     129.2429 14.88671 124.0084 15.49304 5.234558       21.48601 
1 1 1 1  7  77  o 129.4145 10.46306 1.181414       0.1853739     1.249095       0.2626514     1.114240       0.2616679     131.7814 14.68371 124.0512 15.62255 7.730171       21.44004 
1 1 1 1  7  78  o 103.4761 9.064231 0.7534062      0.1282059     0.6515931      0.1816021     0.8545679      0.1810202     94.80719 14.31820 109.4713 12.18198 -14.66408      18.79924 
1 1 1 1  7  79  o 259.2764 8.393681 4.688420       0.3005061     4.767039       0.4259666     4.610526       0.4240000     260.1408 11.85848 255.7712 12.00539 4.369598       16.87462 
1 1 1 1  7  80  o 171.7093 8.547499 2.057379       0.2026614     1.976857       0.2845973     2.140215       0.2886587     166.9030 12.43821 173.8185 12.10232 -6.915512      17.35439 
1 1 1 1  7  81  o 93.12821 9.954404 0.6142307      0.1260244     0.6406879      0.1710918     0.5828496      0.1863329     94.16695 13.54815 89.06799 15.72557 5.098969       20.75682 
1 1 1 1  7  82  o 153.7474 9.167882 1.658871       0.1937472     1.628266       0.2604333     1.696802       0.2899345     151.2443 12.58462 153.9613 13.78386 -2.716965      18.66461 
1 1 1 1  7  83  o 147.0109 9.829412 1.521825       0.1983832     1.546716       0.2812410     1.497175       0.2798763     146.7489 14.05102 144.2886 14.23283 2.460236       20.00011 
1 1 1 1  7  84  o 130.5513 12.22125 1.216274       0.2177466     1.278085       0.3033384     1.150564       0.3127581     131.9076 17.05332 124.2633 18.81638 7.644272       25.39433 
1 1 1 1  7  85  o 76.88635 18.48495 0.4494354      0.1938297     0.3833683      0.2874708     0.5045090      0.2624659     71.82613 24.33526 80.48199 22.65736 -8.655861      33.24998 
1 1 1 1  7  86  o 181.9809 14.04598 2.388170       0.3502212     2.107181       0.6348905     2.511069       0.4198828     159.6683 29.89539 185.0966 16.60485 -25.42831      34.19730 
1 1 1 1  7  87  o 149.2714 12.55026 1.601846       0.2562821     1.667819       0.3602116     1.534216       0.3647054     149.4496 17.80571 142.5457 19.00221 6.903961       26.04088 
1 1 1 1  7  88  o 52.31204 14.25151 0.2049054      0.1057407     0.1552589      0.1313309     0.2964052      0.1782924     47.53222 16.43876 62.28897 18.99976 -14.75675      25.12416 
1 1 1 1  7  89  f 49.78318 12.57852 0.1851291      0.8650000E-01 0.2037039      0.1233764     0.1671717      0.1213088     52.16307 15.78157 48.13300 15.79739 4.030067       22.32971 
1 1 1 1  7  90  o 111.5309 10.75642 0.8961822      0.1635996     0.9220934      0.2328184     0.8709083      0.2299379     110.6773 15.67227 107.3292 16.00439 3.348190       22.40001 
1 1 1 1  7  91  o 128.7026 10.56070 1.193386       0.1860260     1.127253       0.2641236     1.258485       0.2620496     121.8202 16.09599 129.6017 14.91518 -7.781479      21.94411 
1 1 1 1  7  92  o 28.62386 10.91215 0.4332456E-01  0.5986819E-01 0.6867552E-01  0.8865538E-01 0.2207294E-01  0.8117156E-01 34.95111 13.28977 29.38101 12.18858 5.570097       18.03273 
1 1 1 1  7  93  o 133.0699 10.13591 1.278766       0.1848426     1.314997       0.2763299     1.249425       0.2486668     131.2051 15.55538 128.8695 14.21059 2.335632       21.06918 
1 1 1 1  7  94  o 166.1699 9.766137 1.988412       0.2231001     2.073732       0.3337243     1.919471       0.2999877     165.4506 14.76277 160.1207 13.69997 5.329834       20.14023 
1 1 1 1  7  95  o 56.70562 13.34273 0.2477264      0.1027314     0.3039618      0.1469245     0.1939339      0.1436977     61.53841 16.81330 50.47996 17.20487 11.05845       24.05607 
1 1 1 1  7  96  o 101.8339 10.76464 0.7604102      0.1490720     0.6664442      0.2046608     0.8666040      0.2175701     91.61069 16.79800 105.8024 15.33979 -14.19169      22.74823 
1 1 1 1  7  97  o 70.30850 13.72810 0.3808728      0.1284953     0.4435139      0.1769082     0.3109213      0.1869466     73.77405 17.61034 61.21707 19.57329 12.55698       26.32941 
1 1 1 1  7  98  o 61.45578 14.91223 0.2979327      0.1252582     0.1122000      0.1758873     0.4890607      0.1784236     45.24670 18.25540 77.85336 17.06782 -32.60666      24.99140 
1 1 1 1  7  99  o 154.0433 11.02460 1.738891       0.2329502     1.883433       0.3302999     1.595842       0.3285894     156.0564 15.53459 142.0047 17.10155 14.05165       23.10382 
1 1 1 1  7  100 o 109.4233 12.09202 0.8911898      0.1796505     0.9224668      0.2520943     0.8589160      0.2560809     107.2640 17.63336 102.5023 18.78506 4.761734       25.76459 
1 1 1 1  7  101 f 241.5608 10.41025 4.233489       0.3472365     4.376874       0.4905936     4.089548       0.4915408     239.2703 14.92332 230.3182 15.54687 8.952133       21.55019 
1 1 1 1  7  102 o 158.8391 11.15596 1.853876       0.2431305     1.820541       0.3414680     1.888153       0.3462589     152.1235 16.52169 155.0504 16.42299 -2.926895      23.29551 
1 1 1 1  7  103 o 304.7074 10.29449 6.756822       0.4331377     6.679500       0.6110373     6.834916       0.6140724     294.1570 15.09439 297.7976 14.98131 -3.640656      21.26688 
1 1 1 1  7  104 o 70.15523 15.45843 0.3958403      0.1457094     0.3996634      0.2043940     0.3918896      0.2077762     67.40601 20.29471 66.62012 20.54374 0.7858963      28.87768 
1 1 1 1  7  105 o 126.0761 16.71470 1.298175       0.2838105     1.504790       0.3523647     0.9165753      0.4788676     131.7124 20.00338 85.24992 31.18396 46.46247       37.04827 
1 1 1 1  7  106 o 43.14138 18.48965 0.8615705E-01  0.1968630     0.5259760      0.3135001     -0.2001857     0.2529553     69.57717 25.26477 36.49418 17.49302 33.08299       30.72970 
1 1 1 1  7  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  0   o 174.6116 16.62997 2.176541       0.3926062     2.349325       0.5543185     2.002616       0.5561441     178.7978 23.59546 162.7497 26.97583 -0.000000      0.000000 
1 1 1 1  8  1   o 267.5901 11.60026 4.978973       0.4286232     5.053575       0.6048983     4.903744       0.6074393     268.1557 16.41547 264.0414 16.74737 4.114227       23.45085 
1 1 1 1  8  2   o 485.2856 13.83769 16.42547       0.9272544     16.42813       1.139501      16.42026       1.595324      484.0590 17.04819 479.7145 24.16146 4.344452       29.57055 
1 1 1 1  8  3   o 149.1366 16.27949 1.575103       0.3298002     1.676113       0.4693013     1.476546       0.4635674     152.0815 23.07220 142.1323 24.50508 9.949112       33.65747 
1 1 1 1  8  4   o 157.6087 16.26181 1.757304       0.3488201     1.330714       0.4889793     2.199334       0.4977497     133.9109 27.36869 175.2342 20.98858 -41.32332      34.49008 
1 1 1 1  8  5   o 206.5411 16.13212 3.004708       0.4564313     2.841434       0.6418486     3.171741       0.6491969     198.4853 23.89928 210.2534 22.72256 -11.76817      32.97712 
1 1 1 1  8  6   o 259.2769 16.21407 4.726460       0.5775729     4.440922       0.8118981     5.019017       0.8218150     248.6588 23.94203 264.9810 22.67911 -16.32225      32.97822 
1 1 1 1  8  7   o 162.0330 13.30272 1.842573       0.2950068     1.906147       0.3629826     1.718873       0.5063271     164.1871 16.22283 153.4348 24.73980 10.75224       29.58442 
1 1 1 1  8  8   o 227.4520 16.24046 3.643040       0.5067121     4.120106       0.7220538     3.180123       0.7112662     240.0636 22.02808 209.5677 25.07740 30.49585       33.37832 
1 1 1 1  8  9   o 120.0566 16.64727 1.029381       0.2685465     1.062079       0.3799663     0.9967452      0.3795982     120.1427 23.74571 116.1282 24.44595 4.014496       34.08025 
1 1 1 1  8  10  o 162.1827 16.30673 1.861977       0.3602327     1.671464       0.5084572     2.053978       0.5104404     150.9689 25.28512 168.6492 22.47884 -17.68033      33.83247 
1 1 1 1  8  11  o 362.1189 23.58114 9.389515       1.172678      0.000000       0.000000      9.389515       1.172678      ?        ?        362.1189 23.58114 0.000000       23.58114 
1 1 1 1  8  12  o 197.4236 23.47375 2.816158       0.6273689     0.000000       0.000000      2.816158       0.6273689     ?        ?        197.4236 23.47375 0.000000       23.47375 
1 1 1 1  8  13  o 337.9400 23.55912 8.193633       1.092474      0.000000       0.000000      8.193633       1.092474      ?        ?        337.9400 23.55912 0.000000       23.55912 
1 1 1 1  8  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  15  o 133.1491 23.99403 1.304803       0.4249161     0.000000       0.000000      1.304803       0.4249161     ?        ?        133.1491 23.99403 0.000000       23.99403 
1 1 1 1  8  16  o 196.2970 23.41265 2.792987       0.6220824     0.000000       0.000000      2.792987       0.6220824     ?        ?        196.2970 23.41265 0.000000       23.41265 
1 1 1 1  8  17  o 162.4814 16.31905 1.873769       0.3611828     1.973886       0.5122972     1.774822       0.5092951     164.6275 23.17795 155.4755 24.53687 9.152008       33.75315 
1 1 1 1  8  18  o 167.4982 16.29023 1.990671       0.3720021     2.217561       0.5283300     1.767587       0.5238791     174.8886 22.39210 154.7816 25.39253 20.10706       33.85538 
1 1 1 1  8  19  o 286.6549 13.21936 5.744532       0.5232483     5.401173       0.6387004     6.445304       0.9124531     276.4207 16.81345 299.5281 22.21989 -23.10739      27.86424 
1 1 1 1  8  20  o 354.6690 13.37311 8.798913       0.6549281     8.618360       0.8010005     9.163066       1.137555      349.7924 16.58381 356.6332 23.22677 -6.840790      28.53955 
1 1 1 1  8  21  o 456.1764 11.87581 14.51979       0.7480559     14.81143       1.062036      14.23263       1.053834      458.3418 16.78076 449.1797 16.99081 9.162140       23.88057 
1 1 1 1  8  22  o 216.7458 11.40760 3.284909       0.3402136     3.373383       0.4818124     3.196930       0.4804598     218.3082 16.09698 212.3550 16.51530 5.953217       23.06226 
1 1 1 1  8  23  o 246.3317 11.37966 4.232762       0.3870681     4.343389       0.5484517     4.122983       0.5463482     247.7658 16.11864 241.2320 16.50107 6.533829       23.06720 
1 1 1 1  8  24  o 356.8900 11.58139 8.890524       0.5707333     8.740561       0.8050923     9.042022       0.8092010     351.8689 16.57016 357.9799 16.37042 -6.111023      23.29294 
1 1 1 1  8  25  o 215.7691 11.40460 3.258115       0.3385806     3.191981       0.4778586     3.324787       0.4797978     212.0313 16.45033 216.5232 16.16435 -4.491898      23.06295 
1 1 1 1  8  26  o 94.24603 11.94828 0.6302448      0.1519997     0.6405484      0.2155130     0.6200463      0.2144112     93.74812 17.28526 92.14696 17.49088 1.601166       24.59087 
1 1 1 1  8  27  o 99.93575 11.86424 0.7074223      0.1605207     0.7191368      0.2266822     0.6956397      0.2273404     99.48881 17.11816 97.71170 17.49199 1.777107       24.47450 
1 1 1 1  8  28  o 77.28438 12.40546 0.4280549      0.1279078     0.4358128      0.1805994     0.4202469      0.1811797     76.96047 17.40265 75.51808 17.68577 1.442390       24.81207 
1 1 1 1  8  29  o 205.1011 11.48102 2.947920       0.3238462     2.868835       0.4568412     3.027803       0.4591427     200.7013 16.63449 206.3646 16.24426 -5.663300      23.25042 
1 1 1 1  8  30  o 265.2889 11.49606 4.918453       0.4211204     4.841451       0.5942753     4.996120       0.5968413     261.0246 16.57394 265.2654 16.37454 -4.240784      23.29852 
1 1 1 1  8  31  o 327.1699 11.63526 7.483309       0.5256387     7.210388       0.7398340     7.761505       0.7469479     318.5571 16.87955 331.2017 16.33277 -12.64459      23.48784 
1 1 1 1  8  32  o 207.7095 11.56853 3.024705       0.3304803     3.126643       0.4672032     2.922621       0.4675364     209.6591 16.26547 202.4359 16.87983 7.223206       23.44129 
1 1 1 1  8  33  o 387.8663 11.75773 10.51919       0.6297142     10.61000       0.8911885     10.42863       0.8899135     387.0779 16.67375 383.6840 16.79717 3.393890       23.66768 
1 1 1 1  8  34  o 185.3847 11.50786 2.410355       0.2931269     2.307401       0.4135657     2.514289       0.4155294     179.7672 16.85770 187.9577 16.16780 -8.190567      23.35765 
1 1 1 1  8  35  o 137.2997 11.67735 1.326616       0.2192849     1.269178       0.3094254     1.384570       0.3108107     132.7882 17.28531 139.0145 16.51501 -6.226242      23.90664 
1 1 1 1  8  36  o 123.0893 11.77001 1.068169       0.1976097     0.9687523      0.2786618     1.168737       0.2802697     115.5385 18.05779 127.6640 16.26875 -12.12548      24.30547 
1 1 1 1  8  37  o 264.7205 11.48628 4.894079       0.4198605     4.726839       0.5922152     5.063088       0.5953418     258.0199 16.71201 267.2898 16.20700 -9.269897      23.27999 
1 1 1 1  8  38  o 194.7663 11.54346 2.658160       0.3090630     2.629264       0.4363153     2.687258       0.4378508     192.2031 16.60300 194.3724 16.46856 -2.169266      23.38532 
1 1 1 1  8  39  o 172.1450 11.64820 2.078822       0.2752502     2.068650       0.3894593     2.088973       0.3890662     170.2941 16.78050 171.1695 16.67276 -0.8753967     23.65515 
1 1 1 1  8  40  o 388.7700 11.77818 10.55627       0.6322790     10.51059       0.8941079     10.60197       0.8942472     385.6487 16.79036 387.3595 16.71881 -1.710815      23.69462 
1 1 1 1  8  41  o 132.5411 11.84237 1.236215       0.2144518     1.127033       0.3023438     1.346761       0.3042261     124.9245 18.05084 137.2569 16.37508 -12.33242      24.37163 
1 1 1 1  8  42  o 373.4795 11.77836 9.738022       0.6074207     9.585205       0.8565865     9.892589       0.8614795     368.4174 16.83810 374.3635 16.66531 -5.946075      23.69080 
1 1 1 1  8  43  o 189.7794 11.63428 2.522462       0.3034068     2.411923       0.4280124     2.634111       0.4301597     184.0669 17.03313 192.6521 16.32377 -8.585251      23.59222 
1 1 1 1  8  44  o 384.4923 11.81883 10.31884       0.6274801     10.30449       0.8865625     10.33323       0.8882215     382.1095 16.80287 382.6379 16.81107 -0.5284424     23.76864 
1 1 1 1  8  45  o 379.4300 11.82248 10.04845       0.6194099     10.01079       0.8754692     10.08621       0.8764873     376.6291 16.83407 378.0669 16.78955 -1.437836      23.77551 
1 1 1 1  8  46  o 122.9931 12.07939 1.066065       0.2024994     1.119332       0.2876424     1.013725       0.2851290     124.8252 17.14081 118.4477 17.99972 6.377434       24.85553 
1 1 1 1  8  47  o 56.01244 14.22140 0.2284246      0.1101920     0.3085167      0.1602640     0.1566123      0.1517542     64.97031 17.48077 50.03945 17.64737 14.93087       24.83963 
1 1 1 1  8  48  o 70.62141 13.69804 0.3608822      0.1287574     0.2978423      0.1807045     0.4258939      0.1835087     64.24044 19.02408 76.13188 17.77851 -11.89144      26.03826 
1 1 1 1  8  49  o 105.9606 12.44865 0.7949458      0.1786690     0.7023088      0.2511911     0.8898063      0.2541879     97.85656 19.27564 111.0498 17.12752 -13.19327      25.78570 
1 1 1 1  8  50  o 362.6994 11.82737 9.183846       0.5923424     9.036551       0.8356592     9.332590       0.8397532     357.7187 16.91802 363.6231 16.72485 -5.904449      23.78950 
1 1 1 1  8  51  o 187.6897 11.78323 2.468847       0.3038321     2.350807       0.4286644     2.588016       0.4307098     181.5701 17.30711 190.8490 16.50644 -9.278961      23.91650 
1 1 1 1  8  52  o 340.0315 11.80648 8.075294       0.5543418     7.919733       0.7830403     8.231585       0.7848784     334.2783 17.02069 341.3747 16.65072 -7.096436      23.81072 
1 1 1 1  8  53  o 219.4791 17.03423 3.427528       0.5121983     3.243609       0.7189101     3.617129       0.7299311     209.7825 25.33081 222.2683 24.17271 -12.48582      35.01385 
1 1 1 1  8  54  o 178.9212 17.59044 2.291363       0.4289690     3.461936       0.6200455     1.216727       0.5940939     218.8643 20.76544 124.3299 33.74278 94.53442       39.62043 
1 1 1 1  8  55  o 299.8496 24.11675 6.575421       0.9900829     6.575421       0.9900829     0.000000       0.000000      299.8496 24.11675 ?        ?        0.000000       24.11675 
1 1 1 1  8  56  o 366.5068 16.79908 9.525512       0.8501695     9.938949       1.210625      9.123227       1.194186      368.7836 23.90260 352.6290 24.68101 16.15460       34.35820 
1 1 1 1  8  57  o 83.79348 11.87937 0.5008683      0.1336002     0.4306571      0.2212082     0.5411848      0.1676253     76.09657 20.56379 86.52565 14.54608 -10.42908      25.18845 
1 1 1 1  8  58  o 110.8461 10.10885 0.8641410      0.1530232     0.9681249      0.2168409     0.7609844      0.2159767     116.5251 13.74098 102.5844 15.75051 13.94067       20.90199 
1 1 1 1  8  59  o 136.0981 9.826168 1.298699       0.1834191     1.212981       0.2583687     1.385791       0.2604313     130.2914 14.61287 139.6385 13.68251 -9.347137      20.01866 
1 1 1 1  8  60  o 205.0323 9.540872 2.932385       0.2701148     2.868847       0.3815037     2.996256       0.3824982     201.2316 13.81345 205.7734 13.53734 -4.541809      19.34092 
1 1 1 1  8  61  o 176.5965 9.664548 2.183097       0.2347746     2.181693       0.3321121     2.184499       0.3319309     175.2905 13.83350 175.4097 13.81612 -0.1191864     19.55124 
1 1 1 1  8  62  o 110.4093 10.11164 0.8588724      0.1524454     0.9204556      0.2160930     0.7978589      0.2150913     113.2978 14.11917 105.0285 15.27920 8.269302       20.80396 
1 1 1 1  8  63  o 258.5803 9.675627 4.669958       0.3454717     4.569143       0.4880840     4.771174       0.4890590     253.8390 13.97898 259.5423 13.69479 -5.703278      19.56934 
1 1 1 1  8  64  o 350.8635 9.776372 8.602001       0.4736460     9.513346       0.6783974     7.735249       0.6615921     367.0716 13.38429 330.3584 14.50331 36.71323       19.73538 
1 1 1 1  8  65  o 103.7671 10.46170 0.7611104      0.1478539     0.6670690      0.2103405     0.8529606      0.2078753     95.39727 16.56910 108.9221 14.15592 -13.52485      21.79278 
1 1 1 1  8  66  o 90.45985 10.62313 0.5806942      0.1301667     0.5361369      0.1853558     0.6240486      0.1828371     85.36179 16.32035 92.72102 14.77665 -7.359238      22.01598 
1 1 1 1  8  67  o 137.4523 9.988168 1.328177       0.1882772     1.286768       0.2671438     1.369045       0.2653932     133.9021 14.68965 138.3654 14.08720 -4.463318      20.35276 
1 1 1 1  8  68  o 152.9185 9.881245 1.641982       0.2075299     1.746136       0.2951945     1.540196       0.2918177     156.4979 13.80169 146.6275 14.60758 9.870468       20.09647 
1 1 1 1  8  69  o 132.3371 10.20402 1.233141       0.1850231     1.111760       0.2631023     1.351901       0.2602453     123.9498 15.72618 137.4985 13.89795 -13.54872      20.98727 
1 1 1 1  8  70  o 86.09377 11.18013 0.5287612      0.1297724     0.4244180      0.1857295     0.6282951      0.1813988     75.29469 18.08980 93.01919 14.60395 -17.72450      23.24900 
1 1 1 1  8  71  o 212.1576 9.766211 3.148957       0.2861032     3.309002       0.4066662     2.992106       0.4025865     215.7060 13.72467 204.8080 14.32577 10.89793       19.83921 
1 1 1 1  8  72  o 54.65264 13.30599 0.2195688      0.9947357E-01 0.2043646      0.1400366     0.2350544      0.1413260     53.52835 16.92208 56.72223 16.83007 -3.193874      23.86646 
1 1 1 1  8  73  o 134.1358 10.33509 1.268265       0.1899494     1.073945       0.2671172     1.467047       0.2701667     121.4665 16.34059 143.2155 13.83390 -21.74905      21.41008 
1 1 1 1  8  74  f 112.5123 10.57259 0.8955034      0.1623287     1.064284       0.2296708     0.7270262      0.2294644     121.7460 13.91175 99.20464 17.38487 22.54136       22.26590 
1 1 1 1  8  75  o 237.6771 9.819161 3.955304       0.3222550     4.219470       0.4554424     3.690453       0.4560329     243.5871 13.59493 227.2435 14.61084 16.34360       19.95742 
1 1 1 1  8  76  o 67.83444 10.95544 0.3311545      0.9911964E-01 0.3901854      0.1377890     0.2678476      0.1426923     72.92421 14.19443 60.09942 16.63114 12.82479       21.86497 
1 1 1 1  8  77  o 73.11617 12.41531 0.3876154      0.1208627     0.4121633      0.1690045     0.3619185      0.1729139     74.26890 16.86469 69.40530 17.91924 4.863602       24.60725 
1 1 1 1  8  78  o 91.41142 12.10993 0.6000578      0.1490922     0.4937475      0.2098469     0.7084216      0.2118640     80.71008 19.12271 98.10124 16.20620 -17.39116      25.06629 
1 1 1 1  8  79  o 117.9830 14.42352 1.008033       0.2300859     1.042884       0.3096343     0.9650595      0.3438262     117.7775 19.73756 111.6253 23.06953 6.152122       30.36074 
1 1 1 1  8  80  o 65.60403 21.96029 0.3142779      0.2340700     0.3142779      0.2340700     0.000000       0.000000      65.60403 21.96029 ?        ?        0.000000       21.96029 
1 1 1 1  8  81  o 77.59892 19.82899 0.4639717      0.2132576     0.5122658      0.3310911     0.4297299      0.2787910     80.66198 26.07546 74.64304 23.90642 6.018936       35.37579 
1 1 1 1  8  82  o 79.83063 16.89219 0.4823739      0.1803968     0.7028235      0.3367054     0.3936159      0.2136482     92.85334 25.48714 71.25499 20.56909 21.59835       32.75182 
1 1 1 1  8  83  o 54.05978 14.14794 0.2190543      0.1068368     0.2996804      0.1579759     0.1510987      0.1450327     62.61665 17.56042 47.95695 17.21562 14.65969       24.59158 
1 1 1 1  8  84  o 72.35580 13.85863 0.3906816      0.1334206     0.5124302      0.1979195     0.2892711      0.1806334     81.34570 18.08843 61.45918 19.18850 19.88652       26.37024 
1 1 1 1  8  85  o 77.62677 14.99004 0.4556749      0.1548586     0.2561319      0.2316217     0.6169721      0.2082449     59.69604 21.71027 89.39909 17.49597 -29.70304      27.88270 
1 1 1 1  8  86  o 138.4425 12.07681 1.394533       0.2285541     1.528235       0.3505251     1.295649       0.3014469     140.3828 18.53620 130.1116 17.20030 10.27112       25.28717 
1 1 1 1  8  87  o 131.8265 11.98883 1.269551       0.2158461     1.487339       0.3348203     1.114676       0.2823485     138.3338 17.95177 119.8147 17.58991 18.51903       25.13307 
1 1 1 1  8  88  o 56.31839 16.50925 0.2484984      0.1366917     -0.2882222E-01 0.2072758     0.4619219      0.1818354     40.68568 18.15174 76.09499 17.64805 -35.40930      25.31678 
1 1 1 1  8  89  o 123.4546 12.43486 1.127417       0.2090900     1.140340       0.2761486     1.110054       0.3200891     120.8274 17.02348 116.1075 20.72547 4.719849       26.82059 
1 1 1 1  8  90  o 121.5083 12.34781 1.094316       0.2042949     1.104332       0.2706827     1.081059       0.3114136     118.6125 17.01417 114.4190 20.46177 4.193520       26.61139 
1 1 1 1  8  91  o 36.59440 15.00666 0.5248874E-01  0.1211664     -0.1003344     0.1700790     0.2099862      0.1726605     33.51598 15.51750 52.66043 18.79663 -19.14445      24.37429 
1 1 1 1  8  92  o 81.61839 15.95819 0.5255476      0.1734047     0.5783402      0.2432276     0.4709789      0.2472853     81.93392 21.30086 73.20557 22.38510 8.728348       30.90015 
1 1 1 1  8  93  o 43.71459 13.64842 0.1446087      0.9138611E-01 0.1255866      0.1278123     0.1645047      0.1307155     43.24224 16.05931 47.07236 16.39334 -3.830124      22.94871 
1 1 1 1  8  94  o 139.2722 10.65357 1.417085       0.2033252     1.590062       0.2880345     1.245278       0.2870584     144.1473 14.67574 125.3989 17.01787 18.74841       22.47188 
1 1 1 1  8  95  o 82.29834 12.94817 0.5132061      0.1422815     0.5050104      0.1997849     0.5216411      0.2026792     78.05345 18.76752 79.34608 18.78911 -1.292625      26.55655 
1 1 1 1  8  96  o 167.2914 10.62578 2.040059       0.2441820     2.221952       0.3455583     1.858655       0.3450931     170.4725 14.82779 154.1286 16.46991 16.34383       22.16126 
1 1 1 1  8  97  o 141.0515 11.17614 1.461381       0.2158925     1.432751       0.3038389     1.490575       0.3068190     134.9235 16.66262 137.8536 16.44302 -2.930115      23.40974 
1 1 1 1  8  98  o 262.2225 10.18285 4.985349       0.3687035     4.955928       0.5196645     5.015173       0.5232044     254.3853 14.85887 255.8828 14.87201 -1.497498      21.02291 
1 1 1 1  8  99  o 205.2252 10.40757 3.075181       0.2939643     2.830110       0.4130453     3.326724       0.4184642     190.1792 15.87393 208.0325 14.66145 -17.85332      21.60879 
1 1 1 1  8  100 o 153.9146 10.76028 1.747283       0.2272482     1.708617       0.3197366     1.786754       0.3230439     146.6851 16.04763 150.3130 15.80073 -3.627884      22.52087 
1 1 1 1  8  101 o 71.40955 18.64767 0.4425673      0.1858675     0.6451627      0.2310263     0.7080273E-01  0.3129541     85.51990 19.93241 49.44012 22.16278 36.07977       29.80755 
1 1 1 1  8  102 o 78.68365 22.42192 0.6047228      0.2554280     0.5850512      0.3809703     0.6207870      0.3442707     70.59491 27.36734 73.99220 26.52803 -3.397285      38.11441 
1 1 1 1  8  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  0   o 130.9178 17.59319 1.261173       0.3019005     1.131850       0.4254929     1.392285       0.4284257     115.8332 30.78900 133.4421 26.10965 -0.000000      0.000000 
1 1 1 1  9  1   o 185.3108 11.51475 2.408847       0.2931834     2.559055       0.4150231     2.259214       0.4142258     189.6659 15.99621 177.7573 17.08660 11.90858       23.40579 
1 1 1 1  9  2   o 163.0338 11.58362 1.866892       0.2590744     1.904573       0.3660966     1.829091       0.3666771     163.2908 16.46120 159.8586 16.86614 3.432129       23.56772 
1 1 1 1  9  3   o 146.2864 13.46094 1.514238       0.2688546     1.634687       0.3322420     1.285735       0.4576132     151.2599 16.15714 130.3423 26.33217 20.91759       30.89396 
1 1 1 1  9  4   f 169.6712 16.32099 2.053830       0.3776602     2.026706       0.5313424     2.081523       0.5368853     165.5692 23.93590 167.8801 23.82911 -2.310959      33.77504 
1 1 1 1  9  5   o 306.6620 16.43207 6.672677       0.6932786     6.073106       0.9689431     7.301582       0.9923645     287.7362 24.62463 316.9362 22.82861 -29.20001      33.57853 
1 1 1 1  9  6   o 125.8508 16.83355 1.140331       0.2852000     1.342425       0.4034679     0.9385061      0.4031995     134.7631 22.47350 110.9322 26.65445 23.83099       34.86427 
1 1 1 1  9  7   o 158.6726 16.54571 1.799998       0.3571821     2.048257       0.5062771     1.553974       0.5039942     167.0766 22.51854 143.5881 26.39217 23.48849       34.69339 
1 1 1 1  9  8   o 273.8576 13.35212 5.263433       0.5049088     5.507165       0.6230074     4.796970       0.8618771     278.5963 16.26565 255.4578 24.74378 23.13855       29.61125 
1 1 1 1  9  9   o 287.9620 13.41119 5.820390       0.5332619     6.384856       0.6595234     4.754562       0.9062628     300.1847 15.96866 253.3456 26.28888 46.83916       30.75879 
1 1 1 1  9  10  o 232.8394 11.46488 3.788542       0.3686072     3.728583       0.5193664     3.849397       0.5232339     228.9597 16.53899 232.7175 16.38743 -3.757843      23.28274 
1 1 1 1  9  11  o 239.7673 11.42611 4.016918       0.3782911     4.019177       0.5339131     4.014640       0.5360621     237.8345 16.35710 237.6686 16.43542 0.1659088      23.18788 
1 1 1 1  9  12  o 145.2757 11.53821 1.483889       0.2295506     1.548254       0.3245158     1.419431       0.3247514     147.1463 16.24231 140.5617 17.08311 6.584641       23.57213 
1 1 1 1  9  13  f 226.1906 11.44519 3.583598       0.3563036     3.677227       0.5041759     3.490181       0.5036033     227.5419 16.15152 221.4822 16.58735 6.059738       23.15193 
1 1 1 1  9  14  o 322.5966 11.51520 7.272168       0.5129433     7.203863       0.7239788     7.341015       0.7268524     318.6752 16.50940 321.7500 16.41483 -3.074860      23.28105 
1 1 1 1  9  15  o 220.2074 11.47715 3.396824       0.3477746     3.654037       0.4920573     3.140091       0.4915981     226.9827 15.79794 209.8471 17.11466 17.13560       23.29134 
1 1 1 1  9  16  o 403.8399 11.72755 11.39945       0.6539649     11.42437       0.9247260     11.37453       0.9249660     401.7763 16.66828 400.8742 16.71012 0.9020386      23.60211 
1 1 1 1  9  17  o 438.7234 11.85164 13.45624       0.7179714     13.57419       1.017029      13.33906       1.013709      437.8894 16.82019 434.0198 16.91475 3.869598       23.85430 
1 1 1 1  9  18  o 490.2222 12.04276 16.80586       0.8151865     16.69141       1.150982      16.92105       1.154722      485.3657 17.17361 488.7390 17.11049 -3.373322      24.24256 
1 1 1 1  9  19  o 316.3533 11.56156 6.991170       0.5050412     7.347044       0.7176375     6.641963       0.7108825     322.5367 16.11343 305.9020 16.89524 16.63461       23.34720 
1 1 1 1  9  20  o 312.8777 11.57541 6.838039       0.5000908     6.880938       0.7076085     6.795231       0.7068626     311.5899 16.50527 309.5945 16.59541 1.995422       23.40580 
1 1 1 1  9  21  o 231.4268 11.51530 3.740436       0.3679823     4.188102       0.5229765     3.301466       0.5178721     243.2408 15.65382 215.1373 17.58664 28.10344       23.54426 
1 1 1 1  9  22  o 350.5515 11.62321 8.583450       0.5626209     8.391584       0.7935136     8.777411       0.7978362     344.5078 16.68082 352.4808 16.39231 -7.973053      23.38713 
1 1 1 1  9  23  o 170.4775 11.53692 2.038417       0.2699795     2.096231       0.3819059     1.980663       0.3817116     171.5735 16.31656 166.5757 16.82598 4.997894       23.43808 
1 1 1 1  9  24  o 271.3371 11.46716 5.140155       0.4296385     5.000466       0.6057876     5.281530       0.6094301     265.5323 16.60551 273.0761 16.23539 -7.543793      23.22350 
1 1 1 1  9  25  o 234.4834 11.41158 3.837746       0.3694840     3.976965       0.5234876     3.699543       0.5215763     236.9194 16.09726 228.2606 16.66326 8.658768       23.16864 
1 1 1 1  9  26  o 141.8983 11.58522 1.414686       0.2250160     1.480271       0.3183616     1.349218       0.3180798     143.9858 16.29974 137.1333 17.17459 6.852554       23.67801 
1 1 1 1  9  27  o 85.27766 12.40257 0.5186140      0.1417645     0.6070678      0.2004291     0.4300610      0.2005415     91.44392 16.47951 76.32914 19.07940 15.11478       25.21106 
1 1 1 1  9  28  o 171.6018 11.54978 2.064006       0.2720816     2.198401       0.3854642     1.930559       0.3841025     175.9341 16.04347 164.4393 17.16942 11.49471       23.49855 
1 1 1 1  9  29  o 176.1832 11.53618 2.174881       0.2791000     2.154001       0.3942931     2.195849       0.3951221     173.9782 16.61493 175.7168 16.47714 -1.738541      23.39983 
1 1 1 1  9  30  o 234.2850 11.46269 3.829140       0.3708249     3.666269       0.5228810     3.993951       0.5259840     227.3383 16.77533 237.5640 16.13002 -10.22563      23.27207 
1 1 1 1  9  31  o 159.3872 11.61136 1.781594       0.2537917     1.876210       0.3592196     1.687296       0.3586127     162.4183 16.23470 153.6665 17.19562 8.751770       23.64857 
1 1 1 1  9  32  o 294.6820 11.60352 6.058464       0.4721513     5.878035       0.6651340     6.241730       0.6703421     288.1693 16.78838 297.1429 16.40129 -8.973633      23.47024 
1 1 1 1  9  33  o 185.9186 11.60126 2.420551       0.2963416     2.479635       0.4191888     2.361521       0.4189919     186.8889 16.40997 182.2160 16.84314 4.672836       23.51550 
1 1 1 1  9  34  o 73.82840 12.90633 0.3918829      0.1267818     0.4873397      0.1781155     0.2938514      0.1805015     81.79411 16.34207 63.87690 19.03558 17.91722       25.08818 
1 1 1 1  9  35  o 143.5952 13.58143 1.456258       0.2660941     1.583203       0.4579738     1.391562       0.3269428     146.7634 23.38344 139.3489 17.36847 7.414490       29.12815 
1 1 1 1  9  36  o 84.99873 12.61912 0.5155084      0.1436120     0.5705179      0.2034282     0.4608545      0.2027694     88.45004 17.27585 79.08836 18.83687 9.361671       25.55940 
1 1 1 1  9  37  o 89.63523 12.51967 0.5719102      0.1507269     0.5706806      0.2121208     0.5731643      0.2142145     88.29510 18.00863 88.46218 18.14565 -0.1670837     25.56512 
1 1 1 1  9  38  o 272.8279 11.57242 5.192763       0.4359643     5.260489       0.6167182     5.125113       0.6163752     272.7017 16.45508 269.0724 16.67179 3.629272       23.42473 
1 1 1 1  9  39  o 250.6574 11.53763 4.383359       0.3993329     4.516917       0.5657465     4.250747       0.5637428     252.6516 16.30369 244.8902 16.77240 7.761353       23.39068 
1 1 1 1  9  40  o 185.3760 11.62055 2.407194       0.2959492     2.241035       0.4168559     2.576057       0.4202351     177.2969 17.24560 190.5590 16.12196 -13.26204      23.60780 
1 1 1 1  9  41  o 102.1573 12.34804 0.7395833      0.1706479     0.5675966      0.2391498     0.9179953      0.2435761     87.57459 20.19003 113.0864 16.04891 -25.51179      25.79156 
1 1 1 1  9  42  o 90.74422 12.62572 0.5865968      0.1539160     0.6219327      0.2161468     0.5502469      0.2192262     92.30000 17.60176 86.41784 18.89820 5.882156       25.82564 
1 1 1 1  9  43  o 132.8852 17.73071 1.271737       0.3172259     1.645922       0.4527798     0.9109778      0.4445828     149.7422 22.60153 109.0785 29.01255 40.66370       36.77713 
1 1 1 1  9  44  o 67.50983 19.05181 0.3337148      0.1853433     0.3688278      0.2608420     0.2979079      0.2634068     71.96084 23.13212 66.97889 23.27423 4.981949       32.81440 
1 1 1 1  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  46  o 247.1703 16.47948 4.341816       0.5592180     4.376181       0.7927896     4.307785       0.7889318     244.4561 23.78787 242.4766 23.87263 1.979523       33.70112 
1 1 1 1  9  47  o 214.8295 16.49234 3.287001       0.4854974     3.172317       0.6865513     3.401716       0.6866426     207.3145 24.45370 215.2854 23.47889 -7.970886      33.90046 
1 1 1 1  9  48  o 259.1742 11.72972 4.700430       0.4197756     4.569221       0.5920284     4.833090       0.5952899     253.1402 17.03639 260.5681 16.63187 -7.427856      23.80877 
1 1 1 1  9  49  o 150.1719 12.00955 1.589536       0.2469475     1.607453       0.3490752     1.571587       0.3493980     149.4394 17.23251 147.6583 17.47558 1.781067       24.54293 
1 1 1 1  9  50  o 147.9671 12.14469 1.545027       0.2459476     1.583855       0.3477607     1.506173       0.3478841     148.2154 17.31875 144.3070 17.83844 3.908478       24.86260 
1 1 1 1  9  51  o 110.7183 12.53598 0.8713750      0.1882758     1.091547       0.2693956     0.6611570      0.2632358     122.9869 16.26214 93.94617 20.83773 29.04076       26.43234 
1 1 1 1  9  52  o 149.2430 12.07131 1.573088       0.2466333     1.558583       0.3502882     1.587347       0.3473150     146.7197 17.64395 148.2140 17.29585 -1.494339      24.70740 
1 1 1 1  9  53  o 280.6328 11.79877 5.526547       0.4572071     5.219642       0.6444072     5.837643       0.6487921     269.6876 17.39739 285.7927 16.51089 -16.10504      23.98496 
1 1 1 1  9  54  o 112.0927 12.72578 0.8950239      0.1934788     0.6994857      0.2742527     1.088769       0.2729923     96.38512 21.18420 122.5774 16.55208 -26.19230      26.88386 
1 1 1 1  9  55  o 92.00789 13.37479 0.6088881      0.1649463     0.5360706      0.2333270     0.6816337      0.2332115     84.40794 20.27346 95.98228 18.26357 -11.57434      27.28683 
1 1 1 1  9  56  o 288.1466 11.88067 5.833748       0.4727075     5.754889       0.6672525     5.913203       0.6697733     283.0802 17.15129 287.0734 16.97193 -3.993256      24.12910 
1 1 1 1  9  57  o 131.6039 12.50878 1.229765       0.2245784     1.288189       0.3183767     1.171908       0.3168325     132.9208 17.79286 126.3235 18.73136 6.597343       25.83504 
1 1 1 1  9  58  o 113.5317 12.95502 0.9199891      0.1994554     0.8372421      0.2825700     1.002156       0.2815776     105.9062 20.05698 116.8793 18.02678 -10.97312      26.96753 
1 1 1 1  9  59  o 167.6357 12.21141 1.987558       0.2807205     2.239028       0.3979496     1.738478       0.3960547     176.2875 16.54159 154.1121 19.01468 22.17537       25.20283 
1 1 1 1  9  60  o 143.5799 12.49107 1.462711       0.2451784     1.736742       0.3498263     1.198157       0.3437237     155.0350 16.59920 127.0269 20.27834 28.00811       26.20581 
1 1 1 1  9  61  o 78.91040 14.23878 0.4539678      0.1494391     0.5936511      0.2162701     0.3263361      0.2067300     89.33190 18.15183 66.62510 20.48313 22.70680       27.36873 
1 1 1 1  9  62  o 67.71308 13.22829 0.3345274      0.1192486     0.3233250      0.1992523     0.3407790      0.1488491     66.20767 20.06120 67.77097 16.13769 -1.563293      25.74640 
1 1 1 1  9  63  o 109.3982 10.05565 0.8444825      0.1501997     0.6163716      0.2121345     1.073802       0.2126956     91.22971 17.47609 122.7399 12.73511 -31.51022      21.62399 
1 1 1 1  9  64  o 253.4149 9.636477 4.490901       0.3372008     4.506129       0.4773840     4.475739       0.4763654     251.8306 13.78071 250.9671 13.79929 0.8634186      19.50201 
1 1 1 1  9  65  o 122.9023 10.21826 1.065085       0.1718383     0.9272856      0.2436054     1.201558       0.2424309     112.8568 16.08761 129.5423 13.76394 -16.68552      21.17208 
1 1 1 1  9  66  o 140.2498 9.987818 1.383879       0.1921605     1.322075       0.2722950     1.445197       0.2712201     135.5689 14.78569 142.0885 14.00588 -6.519608      20.36618 
1 1 1 1  9  67  o 140.3446 10.06567 1.386350       0.1937681     1.261082       0.2734512     1.512684       0.2746114     132.1771 15.26317 145.4358 13.84138 -13.25870      20.60457 
1 1 1 1  9  68  o 80.37206 11.02701 0.4617998      0.1191516     0.4201609      0.1669885     0.5049871      0.1700653     75.17327 16.53667 82.89674 15.42499 -7.723473      22.61398 
1 1 1 1  9  69  o 151.8374 10.00111 1.621828       0.2085099     1.671338       0.2928929     1.570953       0.2969031     152.7990 14.03896 147.8346 14.74113 4.964371       20.35666 
1 1 1 1  9  70  o 66.03958 11.55795 0.3156066      0.1015563     0.3856938      0.1422821     0.2428152      0.1450011     72.34679 14.74305 57.51771 17.04325 14.82909       22.53508 
1 1 1 1  9  71  o 54.18217 11.83633 0.2148297      0.8607722E-01 0.1728203      0.1219028     0.2566037      0.1215610     49.42673 15.80586 58.83452 14.93656 -9.407784      21.74686 
1 1 1 1  9  72  o 42.01780 12.88626 0.1256901      0.8187825E-01 0.3743102E-01  0.1160418     0.2131973      0.1155464     35.95360 14.70817 53.78048 14.99556 -17.82689      21.00469 
1 1 1 1  9  73  o 48.61920 15.93050 0.1654585      0.1233806     0.1651289      0.1329842     0.1674961      0.3306757     49.06244 16.55192 61.44294 24.94625 -12.38050      29.93796 
1 1 1 1  9  74  o 73.64642 18.00935 0.4111986      0.1816183     0.4111986      0.1816183     0.000000       0.000000      73.64642 18.00935 ?        ?        0.000000       18.00935 
1 1 1 1  9  75  o 141.5794 17.94211 1.489093       0.3428909     1.742341       0.5040728     1.270982       0.4677983     148.3603 25.52638 124.7108 27.86716 23.64947       37.79119 
1 1 1 1  9  76  f 50.56306 16.08158 0.1850778      0.1263241     0.2372694      0.2508910     0.1673530      0.1462095     60.31692 22.48033 49.68386 17.33574 10.63306       28.38826 
1 1 1 1  9  77  o 55.15659 12.42980 0.2256900      0.9239960E-01 0.1595492      0.1308562     0.2914611      0.1304901     47.99322 16.41784 62.11462 15.31171 -14.12141      22.44981 
1 1 1 1  9  78  o 71.37085 12.67094 0.3756876      0.1202989     0.3340069      0.1698035     0.4176887      0.1704550     65.72385 18.12405 73.75452 17.07432 -8.030678      24.90007 
1 1 1 1  9  79  o 191.9072 10.13311 2.622988       0.2675653     2.635358       0.3782856     2.610603       0.3785035     189.3099 14.58364 188.3481 14.66930 0.9617462      20.68505 
1 1 1 1  9  80  o 74.65832 11.48894 0.4086316      0.1146420     0.4306812      0.1636758     0.3873965      0.1606239     74.71339 16.32187 70.62831 16.72778 4.085075       23.37139 
1 1 1 1  9  81  o 66.70264 13.34635 0.3354452      0.1186342     0.3761853      0.1693410     0.2961788      0.1662500     68.97814 17.69332 61.31026 18.26818 7.667881       25.43187 
1 1 1 1  9  82  o 60.95691 14.36803 0.2857618      0.1189600     0.2556776      0.1688768     0.3153928      0.1676002     57.25422 18.63172 62.85939 18.23910 -5.605171      26.07308 
1 1 1 1  9  83  o 102.8615 12.35569 0.7831606      0.1719808     0.7372372      0.2273190     0.8446316      0.2629988     96.52306 17.70816 102.2720 19.33173 -5.748924      26.21631 
1 1 1 1  9  84  o 80.60415 13.95472 0.4949942      0.1496918     0.5414967      0.1995678     0.4351761      0.2263438     81.94779 18.11804 71.66178 21.30727 10.28601       27.96897 
1 1 1 1  9  85  o 137.8396 13.23291 1.420248       0.2487693     1.092792       0.3479971     1.762470       0.3557569     112.3726 23.19620 149.5489 17.56219 -37.17630      29.09457 
1 1 1 1  9  86  o 177.5805 12.63380 2.340719       0.3077690     2.268216       0.4339029     2.414131       0.4366120     167.6242 19.08674 173.7210 18.48541 -6.096741      26.57093 
1 1 1 1  9  87  o 88.25877 14.64606 0.6011975      0.1722338     0.5338363      0.2430421     0.6691532      0.2441121     78.35160 21.71340 89.14960 20.28680 -10.79800      29.71576 
1 1 1 1  9  88  o 43.54196 15.16717 0.1371322      0.1118955     0.7763595E-01  0.1583548     0.1964624      0.1581337     41.67887 17.13112 50.91360 18.00815 -9.234730      24.85496 
1 1 1 1  9  89  f 101.8675 14.32911 0.7953847      0.1959830     0.7482262      0.2762580     0.8431653      0.2780745     92.85934 21.90068 99.73568 20.86223 -6.876335      30.24686 
1 1 1 1  9  90  o 143.5277 13.32172 1.548961       0.2610079     1.536526       0.3675553     1.561610       0.3707066     136.2535 20.14328 137.3755 20.14077 -1.121979      28.48512 
1 1 1 1  9  91  o 94.75053 15.23032 0.6974218      0.1925135     0.5762148      0.2693969     0.8239129      0.2752066     80.30947 23.07256 98.64116 20.85716 -18.33169      31.10248 
1 1 1 1  9  92  o 270.5673 12.54162 5.425002       0.4685621     5.292405       0.6600218     5.559728       0.6653034     256.2188 18.78657 263.3677 18.41025 -7.148865      26.30347 
1 1 1 1  9  93  o 86.77312 16.27003 0.5981108      0.1877829     0.7174054      0.2668030     0.4810047      0.2643442     90.92114 21.57571 73.01873 23.26745 17.90241       31.73146 
1 1 1 1  9  94  o 208.3021 12.78936 3.251465       0.3660789     3.231194       0.5176481     3.271746       0.5177794     198.3803 19.13456 199.8580 18.99045 -1.477707      26.95864 
1 1 1 1  9  95  o 59.43707 15.78119 0.2865395      0.1316901     0.3304773      0.2000123     0.2529168      0.1749664     61.82041 20.28442 55.40431 18.98421 6.416103       27.78233 
1 1 1 1  9  96  o 87.35541 19.20203 0.6572024      0.2253058     1.145916       0.3592143     0.3402515      0.2892825     109.9308 24.30980 61.38302 23.83337 48.54776       34.04403 
1 1 1 1  9  97  o 61.74739 22.17408 0.3612853      0.2406293     0.3612853      0.2406293     0.000000       0.000000      61.74739 22.17408 ?        ?        0.000000       22.17408 
1 1 1 1  9  98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 2   o 221.2495 23.62541 3.560323       0.7106109     0.000000       0.000000      3.560323       0.7106109     ?        ?        221.2495 23.62541 0.000000       23.62541 
1 1 1 1  10 3   o 311.0571 16.48160 6.838973       0.7053839     7.630159       1.009484      6.084085       0.9860555     325.3465 22.61110 289.0263 24.95197 36.32022       33.67287 
1 1 1 1  10 4   o 449.4543 16.89718 14.25630       1.048667      13.52603       1.464347      15.02509       1.502467      431.9336 24.65435 455.9086 23.95043 -23.97501      34.37238 
1 1 1 1  10 5   o 271.1526 16.43514 5.200253       0.6124487     5.129094       0.8623585     5.272674       0.8699579     265.8937 23.73737 269.6882 23.59891 -3.794464      33.47195 
1 1 1 1  10 6   o 283.6917 16.49623 5.691623       0.6434138     5.845375       0.9098175     5.537800       0.9100317     284.1634 23.39507 276.1494 24.10742 8.013947       33.59311 
1 1 1 1  10 7   o 317.6869 16.59649 7.134936       0.7255101     7.541426       1.030567      6.735531       1.021545      323.0586 23.25801 304.4833 24.50465 18.57529       33.78481 
1 1 1 1  10 8   o 306.7405 16.56894 6.652444       0.6991817     6.342825       0.9837068     6.968548       0.9939573     295.5305 24.32194 310.4270 23.35961 -14.89651      33.72281 
1 1 1 1  10 9   o 285.1916 16.52119 5.752075       0.6478159     5.892401       0.9176362     5.612655       0.9146712     285.2516 23.50656 278.0515 24.06042 7.200104       33.63721 
1 1 1 1  10 10  o 229.7357 13.42758 3.706741       0.4241015     3.971501       0.5225301     3.195658       0.7259887     236.9754 16.06360 208.5315 25.76038 28.44392       30.35847 
1 1 1 1  10 11  o 309.0125 11.70749 6.662427       0.4995486     6.505248       0.7039276     6.821896       0.7090368     303.1997 16.88054 310.6404 16.59002 -7.440704      23.66815 
1 1 1 1  10 12  o 392.1223 11.81594 10.73032       0.6397761     10.61448       0.9013308     10.84794       0.9082692     387.8765 16.82878 392.1464 16.77368 -4.269928      23.76056 
1 1 1 1  10 13  o 391.3047 11.77806 10.68480       0.6363949     10.35673       0.8942334     11.02148       0.9058760     383.1040 16.90426 395.3634 16.59336 -12.25937      23.68741 
1 1 1 1  10 14  o 295.2793 11.56933 6.081963       0.4717144     6.237211       0.6671422     5.926750       0.6670678     297.1011 16.32468 289.4109 16.76413 7.690155       23.39939 
1 1 1 1  10 15  o 419.3972 11.90020 12.27674       0.6891561     13.30376       0.9849460     11.29170       0.9646003     434.4698 16.41780 399.7270 17.47616 34.74274       23.97832 
1 1 1 1  10 16  f 458.8319 12.02012 14.69682       0.7615533     16.74192       1.102924      12.83331       1.052820      487.4179 16.38725 425.9106 17.90185 61.50732       24.26970 
1 1 1 1  10 17  o 467.1662 11.97803 15.23501       0.7726712     13.87235       1.070377      16.71772       1.116528      443.0371 17.49680 486.9138 16.60655 -43.87674      24.12293 
1 1 1 1  10 18  o 225.5742 11.52430 3.558178       0.3577588     3.813564       0.5077369     3.306361       0.5041766     232.2372 15.92949 215.7899 17.05962 16.44737       23.34051 
1 1 1 1  10 19  o 315.9347 11.58379 6.963137       0.5053428     6.955539       0.7146789     6.970736       0.7146465     313.6711 16.55923 314.0229 16.53964 -0.3518677     23.40444 
1 1 1 1  10 20  o 316.1580 11.60889 6.973256       0.5067956     7.218043       0.7194971     6.732216       0.7139694     319.6427 16.35624 308.4661 16.82588 11.17661       23.46565 
1 1 1 1  10 21  o 158.0480 11.62786 1.751913       0.2519802     1.811941       0.3565325     1.692006       0.3561755     159.5409 16.41853 153.9352 17.04264 5.605698       23.66474 
1 1 1 1  10 22  o 174.2646 11.60828 2.127929       0.2777300     2.195855       0.3933183     2.060381       0.3922230     175.7778 16.39390 170.0626 16.92763 5.715271       23.56491 
1 1 1 1  10 23  o 202.2346 11.70515 2.863537       0.3254690     3.589792       0.4646032     2.163682       0.4560804     225.5515 15.00317 173.4931 19.36856 52.05840       24.49972 
1 1 1 1  10 24  f 323.4675 11.68504 7.302510       0.5219140     7.454514       0.7396293     7.151758       0.7365758     324.6681 16.55316 317.8584 16.84216 6.809723       23.61494 
1 1 1 1  10 25  o 414.1122 11.88854 11.97429       0.6798053     11.00211       0.9486396     13.00056       0.9746684     394.4136 17.41853 429.2982 16.44220 -34.88452      23.95310 
1 1 1 1  10 26  o 175.3471 11.65327 2.155392       0.2805464     2.452897       0.3978270     1.861080       0.3956867     186.0276 15.63234 161.1172 18.09885 24.91042       23.91524 
1 1 1 1  10 27  o 235.0938 11.52735 3.857722       0.3742042     4.000663       0.5301482     3.715795       0.5282662     237.6214 16.25510 228.7504 16.84297 8.871033       23.40756 
1 1 1 1  10 28  o 144.0774 13.68133 1.468047       0.2689184     1.445797       0.3276154     1.514002       0.4708247     142.0536 17.04241 142.7032 24.79367 -0.6495514     30.08604 
1 1 1 1  10 29  o 169.5999 16.86707 2.052613       0.3897654     1.819003       0.5468974     2.293743       0.5556295     155.9901 26.32770 176.9042 23.31418 -20.91414      35.16673 
1 1 1 1  10 30  o 52.36470 17.16464 0.1874608      0.1432324     0.3520417      0.2048907     0.3015722E-01  0.2003095     69.40257 20.17461 45.26191 18.99025 24.14066       27.70640 
1 1 1 1  10 31  o 121.1986 25.63766 1.108920       0.4156592     0.000000       0.000000      1.108920       0.4156592     ?        ?        121.1986 25.63766 0.000000       25.63766 
1 1 1 1  10 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 33  o 150.2816 24.52139 1.681042       0.4912983     0.000000       0.000000      1.681042       0.4912983     ?        ?        150.2816 24.52139 0.000000       24.52139 
1 1 1 1  10 34  o 167.2789 16.61644 2.000417       0.3787317     2.013872       0.5373217     1.987133       0.5339096     164.7430 24.35466 163.6175 24.37616 1.125565       34.45790 
1 1 1 1  10 35  o 206.8483 16.49471 3.049435       0.4672063     2.958580       0.6608303     3.140235       0.6606287     200.0887 24.42527 206.6616 23.57222 -6.572876      33.94471 
1 1 1 1  10 36  o 211.5105 11.70396 3.139688       0.3404945     3.001463       0.4795924     3.280170       0.4834954     204.9061 17.10681 214.5369 16.44644 -9.630783      23.73032 
1 1 1 1  10 37  o 194.5106 11.73227 2.658009       0.3136358     2.837010       0.4443890     2.480355       0.4427118     199.4216 16.28016 185.9339 17.44753 13.48770       23.86336 
1 1 1 1  10 38  o 136.5888 11.98767 1.317032       0.2238071     1.611695       0.3184847     1.029561       0.3145737     150.1390 15.58961 118.2364 19.97978 31.90255       25.34221 
1 1 1 1  10 39  o 107.6097 12.34331 0.8227014      0.1800915     0.8628998      0.2556229     0.7830859      0.2537631     108.7358 17.62868 103.2093 18.48508 5.526489       25.54346 
1 1 1 1  10 40  o 71.76180 13.46980 0.3738841      0.1285706     0.3504061      0.1817116     0.3974215      0.1819410     68.76366 18.66107 73.14622 18.10973 -4.382561      26.00380 
1 1 1 1  10 41  o 82.23649 13.09176 0.4871189      0.1436784     0.4106722      0.2021887     0.5651018      0.2042102     74.17950 19.48703 87.51994 17.50931 -13.34043      26.19771 
1 1 1 1  10 42  o 124.9942 12.11662 1.106934       0.2065005     1.119772       0.2910284     1.093916       0.2930539     124.0715 17.47120 122.4730 17.85390 1.598526       24.98008 
1 1 1 1  10 43  f 124.7774 12.12432 1.103513       0.2062588     1.050779       0.2911330     1.156656       0.2922583     119.8412 18.16251 126.1804 17.22391 -6.339241      25.03078 
1 1 1 1  10 44  o 117.0872 12.28157 0.9737695      0.1956074     0.9662492      0.2764730     0.9813070      0.2767887     114.8385 18.02905 115.7981 17.88682 -0.9595184     25.39655 
1 1 1 1  10 45  o 163.3136 11.97893 1.883465       0.2682490     1.941745       0.3792171     1.825097       0.3795059     164.0273 16.98935 158.7213 17.61290 5.306061       24.47145 
1 1 1 1  10 46  o 107.0319 12.73887 0.8175932      0.1845724     0.9270490      0.2623585     0.7103348      0.2597111     112.5855 17.44020 97.44473 19.97261 15.14073       26.51539 
1 1 1 1  10 47  o 319.4802 11.84028 7.171659       0.5223287     7.341670       0.7421663     7.004801       0.7352508     320.0054 16.85545 312.3839 17.11053 7.621429       24.01825 
1 1 1 1  10 48  f 140.2429 12.10070 1.392885       0.2320364     1.372458       0.3282496     1.413287       0.3280485     137.2723 17.73193 139.4518 17.41604 -2.179504      24.85437 
1 1 1 1  10 49  o 169.3592 11.98943 2.026377       0.2785667     1.978592       0.3937668     2.074252       0.3941390     165.2387 17.52547 169.4199 17.08103 -4.181152      24.47251 
1 1 1 1  10 50  o 266.3787 11.76963 4.987300       0.4329126     4.731205       0.6105690     5.246201       0.6139062     256.2834 17.35578 270.4458 16.51852 -14.16245      23.96006 
1 1 1 1  10 51  o 190.2256 11.95755 2.554645       0.3124883     2.432528       0.4405899     2.678253       0.4432727     183.2608 17.62863 192.7556 16.82288 -9.494812      24.36756 
1 1 1 1  10 52  o 188.9136 11.94802 2.520148       0.3100661     2.457106       0.4380487     2.583450       0.4389522     184.2453 17.42510 189.1705 16.98552 -4.925201      24.33397 
1 1 1 1  10 53  o 68.62768 14.67088 0.3465498      0.1348120     0.4016505      0.1909333     0.2917717      0.1903737     73.18557 18.79557 63.27978 19.68959 9.905792       27.22046 
1 1 1 1  10 54  o 93.94567 13.50859 0.6361893      0.1701964     0.6917921      0.2401492     0.5800789      0.2412427     96.37016 18.72150 87.61077 20.33348 8.759384       27.63956 
1 1 1 1  10 55  o 104.6333 13.21112 0.7852914      0.1866202     1.031138       0.2654627     0.5450749      0.2624055     118.9560 16.61491 84.48944 22.20224 34.46654       27.73075 
1 1 1 1  10 56  o 125.1765 12.71810 1.116692       0.2167750     1.175189       0.3100655     1.060763       0.3031827     126.4395 18.29108 119.7465 18.96806 6.693024       26.35054 
1 1 1 1  10 57  o 217.6775 12.14428 3.348783       0.3635708     3.169214       0.5146035     3.527745       0.5137313     208.8768 18.01836 221.0566 16.95971 -12.17978      24.74455 
1 1 1 1  10 58  o 138.3458 12.52539 1.361004       0.2366793     1.247453       0.3348334     1.474395       0.3345969     129.8738 19.25425 142.1980 17.40411 -12.32417      25.95436 
1 1 1 1  10 59  o 128.6685 12.70787 1.179867       0.2228285     1.034154       0.3140894     1.327521       0.3161750     117.6889 20.04618 134.8201 17.38912 -17.13113      26.53735 
1 1 1 1  10 60  o 173.7677 12.36553 2.140726       0.2947653     2.051942       0.4153889     2.230781       0.4183492     167.5694 18.24735 175.1486 17.53345 -7.579163      25.30588 
1 1 1 1  10 61  o 60.37807 15.78655 0.2703404      0.1330996     0.1839435      0.1887933     0.3557160      0.1876742     54.09444 19.61164 68.85976 19.07961 -14.76532      27.36143 
1 1 1 1  10 62  o 99.90200 13.79768 0.7208089      0.1852547     0.7031301      0.2618344     0.7385298      0.2621453     96.39131 20.31280 99.01205 19.86502 -2.620735      28.41177 
1 1 1 1  10 63  o 38.78337 14.78955 0.7744256E-01  0.1099930     0.2162931      0.1528441     -0.7170942E-01 0.1584125     55.06293 17.70799 34.66499 15.63401 20.39794       23.62192 
1 1 1 1  10 64  o 80.94922 15.32496 0.4832179      0.1650246     0.5676828      0.2275678     0.3895369      0.2396615     86.53724 19.51053 71.88284 22.04680 14.65440       29.44015 
1 1 1 1  10 65  f 136.0840 15.60230 1.345277       0.2878824     2.144685       0.5170038     0.9860265      0.3465842     167.9556 22.88867 112.9895 22.99639 54.96619       32.44572 
1 1 1 1  10 66  o 50.78539 20.37757 0.1109193      0.2178495     0.2043599      0.3095172     0.1918758E-01  0.3066739     62.03870 24.48536 53.06425 22.91330 8.974449       33.53434 
1 1 1 1  10 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 68  o 41.90364 14.50724 0.1161692      0.1022947     0.1625808      0.2008941     0.9992328E-01  0.1188575     52.71866 20.01506 41.55604 15.47594 11.16262       25.30035 
1 1 1 1  10 69  o 85.73681 15.98539 0.5501583      0.1822848     0.6040767      0.3289906     0.5262727      0.2189690     86.23701 25.69909 82.46632 19.53065 3.770691       32.27831 
1 1 1 1  10 70  o 73.79652 11.67693 0.3965426      0.1150279     0.2886466      0.1625369     0.5048035      0.1628115     61.56235 17.98993 82.30642 14.87301 -20.74407      23.34189 
1 1 1 1  10 71  o 205.3669 9.910223 2.984834       0.2810295     2.938473       0.3961269     3.031813       0.3987575     200.6322 14.39434 203.9149 14.25152 -3.282745      20.25594 
1 1 1 1  10 72  o 95.46564 11.12504 0.6586868      0.1439011     0.5234345      0.2026893     0.7961435      0.2043344     81.93248 18.36955 103.4664 14.71704 -21.53394      23.53788 
1 1 1 1  10 73  o 259.9024 10.01937 4.806275       0.3595742     4.641828       0.5082584     4.971055       0.5087715     250.7753 14.74268 260.1233 14.21849 -9.347961      20.48199 
1 1 1 1  10 74  o 70.29185 12.63884 0.3683315      0.1181633     0.3833406      0.1676554     0.3535168      0.1665663     69.80347 17.44323 66.93410 17.73713 2.869370       24.87714 
1 1 1 1  10 75  o 92.17435 11.72288 0.6235242      0.1458289     0.5705584      0.2065007     0.6762163      0.2059668     84.78794 18.18347 93.48229 16.56250 -8.694351      24.59583 
1 1 1 1  10 76  o 71.68363 11.43340 0.3801906      0.1093684     0.2861088      0.1557018     0.4718198      0.1536589     60.01819 17.62732 78.47599 14.72098 -18.45780      22.96584 
1 1 1 1  10 77  o 65.30408 13.20995 0.3243914      0.1150268     0.3087887      0.1626609     0.3399985      0.1626840     61.97171 17.96452 65.03181 17.66066 -3.060101      25.19173 
1 1 1 1  10 78  o 102.5525 11.19010 0.7715957      0.1558875     0.7010341      0.2185377     0.8446934      0.2224303     93.90938 17.49686 104.3895 15.93632 -10.48015      23.66656 
1 1 1 1  10 79  o 94.65357 11.86504 0.6644175      0.1516683     0.7174743      0.2138520     0.6107214      0.2151365     95.28744 16.87066 86.62415 18.54565 8.663292       25.07110 
1 1 1 1  10 80  o 118.5453 10.80407 1.027692       0.1749099     0.9345838      0.2467585     1.121714       0.2479659     108.7591 16.98657 120.7383 15.21095 -11.97926      22.80168 
1 1 1 1  10 81  o 71.52223 12.73126 0.3880401      0.1211246     0.2657796      0.1711019     0.5108575      0.1714910     57.35124 18.75849 80.41474 16.00708 -23.06350      24.65984 
1 1 1 1  10 82  f 95.81003 11.68298 0.6815152      0.1513610     0.6810640      0.2141953     0.6819653      0.2139186     92.03345 17.49439 92.12347 17.45564 -0.9002686E-01 24.71342 
1 1 1 1  10 83  o 102.5171 11.29640 0.7759623      0.1572550     0.7720113      0.2230548     0.7798666      0.2217354     98.45135 17.02384 99.12668 16.79965 -0.6753235     23.91735 
1 1 1 1  10 84  o 92.70430 11.91285 0.6402497      0.1489658     0.7216670      0.2119819     0.5608180      0.2093811     95.37669 16.70477 82.39101 18.81717 12.98568       25.16218 
1 1 1 1  10 85  o 71.09400 13.03506 0.3852643      0.1232472     0.3082292      0.1749382     0.4611816      0.1736645     61.16441 18.84876 75.66240 17.03298 -14.49799      25.40469 
1 1 1 1  10 86  o 100.9868 11.60447 0.7557216      0.1588781     0.7919741      0.2257747     0.7201590      0.2236159     99.76830 16.99806 94.45631 17.79771 5.311989       24.61083 
1 1 1 1  10 87  o 91.19239 12.35792 0.6241385      0.1516032     0.4625341      0.2146639     0.7849482      0.2141355     73.47040 20.42273 99.88103 16.07140 -26.41064      25.98803 
1 1 1 1  10 88  o 112.8725 11.38448 0.9434159      0.1750115     1.134294       0.2494460     0.7583690      0.2456059     120.7532 15.30371 95.33364 19.31927 25.41951       24.64626 
1 1 1 1  10 89  o 106.5542 11.61703 0.8469599      0.1681547     0.9611081      0.2367161     0.7306837      0.2389123     110.1020 16.04160 93.21887 19.20003 16.88310       25.01947 
1 1 1 1  10 90  o 123.3431 13.88415 1.175106       0.2323564     0.9723327      0.3357735     1.361435       0.3218704     101.4759 24.28699 127.5538 18.84187 -26.07791      30.73880 
1 1 1 1  10 91  f 59.60719 21.35863 0.3204819      0.2231406     0.3204819      0.2231406     0.000000       0.000000      59.60719 21.35863 ?        ?        0.000000       21.35863 
1 1 1 1  10 92  o 71.72195 27.04100 0.6017838      0.3650808     0.6017838      0.3650808     0.000000       0.000000      71.72195 27.04100 ?        ?        0.000000       27.04100 
1 1 1 1  10 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 10  o 112.6708 24.93004 0.9613684      0.3775879     0.9613684      0.3775879     0.000000       0.000000      112.6708 24.93004 ?        ?        0.000000       24.93004 
1 1 1 1  11 11  o 74.24248 22.94855 0.4024110      0.2590927     0.4024110      0.2590927     0.000000       0.000000      74.24248 22.94855 ?        ?        0.000000       22.94855 
1 1 1 1  11 12  o 67.26091 18.17880 0.3333634      0.1728570     0.3333634      0.1728570     0.000000       0.000000      67.26091 18.17880 ?        ?        0.000000       18.17880 
1 1 1 1  11 13  o 123.7199 14.04135 1.090500       0.2356273     1.006407       0.2864338     1.266523       0.4144095     117.5562 18.23658 130.0221 23.96504 -12.46583      30.11471 
1 1 1 1  11 14  o 140.7407 11.88281 1.396456       0.2287689     1.364228       0.3216833     1.429434       0.3254051     137.5199 17.32496 140.8964 17.07445 -3.376480      24.32470 
1 1 1 1  11 15  o 140.4348 11.85050 1.390453       0.2276530     1.371488       0.3204534     1.409776       0.3234676     137.9135 17.20150 139.8842 17.10271 -1.970779      24.25684 
1 1 1 1  11 16  o 196.3485 11.62916 2.707821       0.3138879     3.009016       0.4454568     2.410788       0.4423684     205.5739 15.81410 183.1585 17.71231 22.41536       23.74472 
1 1 1 1  11 17  f 89.35471 12.67585 0.5710101      0.1520139     0.7998188      0.2156411     0.3449851      0.2143253     105.3477 15.26917 68.72924 20.80190 36.61851       25.80439 
1 1 1 1  11 18  o 77.64666 13.10357 0.4347878      0.1354907     0.5355020      0.1904507     0.3315773      0.1927965     85.44188 16.74135 67.19900 19.58051 18.24288       25.76178 
1 1 1 1  11 19  o 115.4157 12.06481 0.9436803      0.1894333     0.8819338      0.2655803     1.007632       0.2702799     109.7993 18.15116 117.8668 17.10641 -8.067490      24.94181 
1 1 1 1  11 20  o 80.42301 12.85128 0.4652507      0.1379086     0.4012736      0.1935655     0.5312044      0.1965328     73.44658 18.95743 84.90086 17.35023 -11.45428      25.69853 
1 1 1 1  11 21  o 99.82713 12.27335 0.7093968      0.1656168     0.6672316      0.2335812     0.7520247      0.2348590     95.06161 18.46035 101.3945 17.40137 -6.332886      25.36911 
1 1 1 1  11 22  o 77.57962 13.05692 0.4343737      0.1349030     0.4318207      0.1903055     0.4369524      0.1912614     76.20068 18.31367 76.65268 18.31963 -0.4520035     25.90365 
1 1 1 1  11 23  o 144.1054 11.86578 1.466108       0.2340115     1.447895       0.3300472     1.484520       0.3318447     141.4971 17.24938 143.3521 17.10220 -1.855011      24.29046 
1 1 1 1  11 24  o 196.8174 11.71117 2.726005       0.3168369     3.301080       0.4528018     2.174330       0.4434932     215.2535 15.33445 173.0413 18.86665 42.21225       24.31247 
1 1 1 1  11 25  o 145.4865 11.86843 1.494786       0.2363487     1.494174       0.3338423     1.495401       0.3346544     143.7434 17.15871 143.7896 17.19625 -0.4615784E-01 24.29264 
1 1 1 1  11 26  o 121.8728 12.06019 1.052756       0.2002910     1.007545       0.2823849     1.098529       0.2841316     117.3759 17.99718 122.9378 17.20938 -5.561913      24.90103 
1 1 1 1  11 27  o 69.44147 13.45300 0.3510535      0.1243368     0.2906327      0.1742310     0.4137571      0.1774918     63.00858 18.68501 74.63220 17.52279 -11.62363      25.61596 
1 1 1 1  11 28  o 145.9930 11.89607 1.506078       0.2377284     1.414208       0.3351811     1.599073       0.3372256     139.4768 17.81023 148.8663 16.69290 -9.389450      24.41019 
1 1 1 1  11 29  o 237.0839 11.65084 3.945152       0.3814145     3.723216       0.5370654     4.170991       0.5417686     227.5533 17.22003 241.3755 16.35129 -13.82225      23.74645 
1 1 1 1  11 30  o 127.4968 12.07127 1.152059       0.2099848     1.312454       0.2972404     0.9922606      0.2966872     134.8047 16.29958 115.9454 19.20347 18.85931       25.18829 
1 1 1 1  11 31  o 202.3500 11.73178 2.884470       0.3263902     2.940291       0.4617728     2.828739       0.4613983     202.2772 16.68148 198.2201 17.02254 4.057098       23.83356 
1 1 1 1  11 32  o 250.0164 11.80900 4.391052       0.4076800     5.637740       0.5867127     3.227177       0.5668913     281.3626 15.15744 210.3323 19.75023 71.03030       24.89618 
1 1 1 1  11 33  o 327.2183 11.80525 7.522289       0.5333970     8.197907       0.7605696     6.868372       0.7482557     338.9885 16.24861 308.9789 17.61106 30.00955       23.96177 
1 1 1 1  11 34  f 233.9648 11.81031 3.855392       0.3803160     3.832833       0.5369633     3.878100       0.5387369     230.8859 16.96133 232.2769 16.91321 -1.391037      23.95294 
1 1 1 1  11 35  o 197.9060 11.89592 2.762293       0.3235739     2.309644       0.4550901     3.225077       0.4601570     178.0809 18.79099 212.2372 15.81521 -34.15633      24.56058 
1 1 1 1  11 36  o 153.2023 11.99547 1.659948       0.2517321     1.710917       0.3554601     1.608665       0.3565482     153.7447 17.02979 148.7541 17.70633 4.990570       24.56680 
1 1 1 1  11 37  o 263.8164 11.76242 4.891393       0.4284858     4.463453       0.6021867     5.330258       0.6098263     248.7399 17.64720 272.7821 16.26414 -24.04222      23.99887 
1 1 1 1  11 38  o 230.2642 11.85201 3.737104       0.3755615     4.007637       0.5340024     3.472327       0.5282919     236.2660 16.47137 219.2513 17.59823 17.01462       24.10402 
1 1 1 1  11 39  o 198.2397 11.92563 2.773470       0.3249260     2.710625       0.4591116     2.836536       0.4599189     193.6552 17.35330 198.3282 16.95721 -4.673035      24.26281 
1 1 1 1  11 40  o 167.4408 12.21616 1.983937       0.2804961     2.657471       0.4006526     1.336459       0.3928260     192.7147 15.17906 133.4318 22.09388 59.28296       26.80566 
1 1 1 1  11 41  o 294.8141 12.13304 6.119498       0.4939192     7.903538       0.7157461     4.497549       0.6824570     332.9617 15.56778 247.8980 20.11055 85.06371       25.43206 
1 1 1 1  11 42  o 296.8767 12.17468 6.207338       0.4990817     6.080972       0.7061004     6.333495       0.7055162     290.2003 17.70571 296.4684 17.30941 -6.268036      24.76101 
1 1 1 1  11 43  o 314.5054 11.99158 6.963455       0.5207657     6.431973       0.7326594     7.506151       0.7403488     298.3124 17.86887 323.2797 16.64163 -24.96725      24.41804 
1 1 1 1  11 44  o 251.4025 11.92731 4.449215       0.4140475     4.271675       0.5851967     4.627185       0.5859070     243.0779 17.55289 253.4849 16.83510 -10.40694      24.32128 
1 1 1 1  11 45  o 198.0132 11.95741 2.770182       0.3254071     2.526826       0.4583663     3.017461       0.4620461     186.3954 18.03444 204.6425 16.49123 -18.24709      24.43771 
1 1 1 1  11 46  o 65.69299 14.97584 0.3188642      0.1328275     0.1882946      0.1862650     0.4539639      0.1894688     54.35509 19.51018 77.89303 17.98028 -23.53793      26.53182 
1 1 1 1  11 47  o 137.2134 12.38595 1.337983       0.2321435     1.255191       0.3276148     1.421472       0.3289904     130.5320 18.71166 139.5858 17.45011 -9.053787      25.58579 
1 1 1 1  11 48  o 211.5136 11.96074 3.160814       0.3478972     3.211998       0.4918827     3.109581       0.4921194     210.7887 17.04548 207.2093 17.35977 3.579422       24.32920 
1 1 1 1  11 49  o 111.2664 12.92012 0.8859447      0.1948085     1.065700       0.2739899     0.7021688      0.2770372     120.7812 16.89056 96.06155 21.43039 24.71961       27.28649 
1 1 1 1  11 50  o 147.2492 12.42762 1.540473       0.2503236     1.882893       0.3557681     1.204735       0.3522797     161.4005 16.18126 126.8223 20.84070 34.57822       26.38500 
1 1 1 1  11 51  o 141.5924 12.41056 1.425457       0.2401951     1.289207       0.3386650     1.563364       0.3407188     132.0081 19.13742 146.4777 17.17141 -14.46957      25.71183 
1 1 1 1  11 52  o 83.08021 13.49319 0.5009665      0.1494816     0.4201449      0.2101100     0.5838020      0.2127117     74.49876 20.00327 88.39548 18.03776 -13.89673      26.93495 
1 1 1 1  11 53  o 68.82141 14.67083 0.3497131      0.1351570     0.3405592      0.1897207     0.3591463      0.1925935     67.40814 19.36120 69.09827 19.39312 -1.690125      27.40345 
1 1 1 1  11 54  o 87.25383 14.12415 0.5545278      0.1643549     0.4589579      0.2305794     0.6532338      0.2343320     77.53133 21.01303 93.23101 18.85057 -15.69968      28.22926 
1 1 1 1  11 55  o 202.4556 12.18968 2.908017       0.3391801     2.880124       0.4782403     2.936246       0.4811190     198.6221 17.62030 200.6065 17.54525 -1.984421      24.86586 
1 1 1 1  11 56  o 137.3762 19.96160 1.413152       0.3675749     0.8607542      0.5065187     2.027687       0.5342481     101.8298 32.18240 161.9638 24.66751 -60.13396      40.54865 
1 1 1 1  11 57  o 67.12283 22.11654 0.3322150      0.2376833     0.4429661E-01  0.3205726     0.6837230      0.3542088     55.10059 23.60424 92.40918 26.42845 -37.30859      35.43477 
1 1 1 1  11 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 59  o 63.84373 18.89917 0.3080751      0.1783655     0.2511343      0.2503099     0.3668132      0.2542296     61.41876 22.53365 69.68427 22.86921 -8.265514      32.10555 
1 1 1 1  11 60  o 54.80294 18.00320 0.2171370      0.1575373     0.1701867      0.2228615     0.2640282      0.2227214     54.42838 20.97875 60.99734 21.38978 -6.568958      29.96048 
1 1 1 1  11 61  o 61.65751 16.13696 0.2882187      0.1389848     0.2413275      0.1960272     0.3356176      0.1970853     58.09616 20.08418 66.07417 19.93640 -7.978016      28.29902 
1 1 1 1  11 62  o 55.64119 15.55017 0.2334826      0.1241018     0.1948068      0.1748610     0.2727347      0.1761590     53.25682 18.92596 60.08048 18.97804 -6.823658      26.80220 
1 1 1 1  11 63  o 135.5310 13.16502 1.337416       0.2432672     1.385128       0.3449278     1.290196       0.3431426     134.2795 19.14499 129.0228 19.90063 5.256699       27.61460 
1 1 1 1  11 64  o 37.12453 14.69488 0.6319612E-01  0.1117831     0.1014765E-01  0.1574823     0.1170648      0.1586951     38.30986 16.48124 45.70649 17.67875 -7.396626      24.16959 
1 1 1 1  11 65  o 42.46729 15.45754 0.1161896      0.1174523     0.4085406E-01  0.1649751     0.1936203      0.1672535     40.81624 17.18517 52.24602 18.51578 -11.42978      25.26192 
1 1 1 1  11 66  o 59.89613 16.32650 0.2789069      0.1387294     0.3806352      0.1962583     0.1773140      0.1961277     68.77350 19.67357 52.12578 19.77950 16.64772       27.89763 
1 1 1 1  11 67  o 40.57855 15.66138 0.9250721E-01  0.1243335     0.1363235      0.1746319     0.4746323E-01  0.1770615     47.72795 18.52152 42.04515 17.75843 5.682800       25.65947 
1 1 1 1  11 68  o 134.4447 13.63144 1.346591       0.2495613     1.356416       0.3515720     1.336613       0.3543099     129.5124 20.32854 128.1974 20.72247 1.315063       29.02879 
1 1 1 1  11 69  o 81.23299 17.03234 0.5221171      0.1849445     0.4369211      0.2589174     0.6108696      0.2642667     71.37227 23.05751 84.46920 22.32121 -13.09693      32.09182 
1 1 1 1  11 70  o 50.53556 16.93672 0.1938610      0.1392302     0.2663135      0.1988711     0.1242097      0.1949888     58.11005 20.22136 47.72229 19.23275 10.38776       27.90702 
1 1 1 1  11 71  o 74.29291 16.71281 0.4395764      0.1672980     0.5795731      0.2380713     0.3029992      0.2351459     82.80511 20.83799 61.21223 21.92652 21.59288       30.24886 
1 1 1 1  11 72  o 70.04549 17.16064 0.3954136      0.1646718     0.3144428      0.2281360     0.4834897      0.2379351     61.79850 21.64949 74.80279 21.73962 -13.00429      30.68080 
1 1 1 1  11 73  o 51.23691 13.38640 0.2028182      0.9575099E-01 0.2436469      0.1354454     0.1620295      0.1353793     55.35374 16.48812 47.10491 16.66209 8.248833       23.44106 
1 1 1 1  11 74  o 129.9604 10.59249 1.232512       0.1884312     1.275007       0.2667663     1.190199       0.2661986     128.5650 15.32917 123.6457 15.96439 4.919312       22.13244 
1 1 1 1  11 75  o 115.2384 10.89908 0.9740512      0.1713710     0.9779009      0.2435677     0.9702772      0.2411605     111.6589 16.27612 111.3049 16.16370 0.3539352      22.93855 
1 1 1 1  11 76  o 208.7639 10.32243 3.156807       0.2975605     3.319412       0.4220745     2.996130       0.4195648     208.6934 14.74162 197.2244 15.53207 11.46895       21.41402 
1 1 1 1  11 77  o 86.89462 12.42770 0.5667782      0.1448678     0.5552006      0.2050446     0.5783174      0.2047038     82.21943 18.50719 84.22297 18.13788 -2.003540      25.91330 
1 1 1 1  11 78  f 144.8634 10.59998 1.529935       0.2105599     1.425906       0.2984728     1.632998       0.2970853     135.1023 16.33087 145.9975 14.94736 -10.89514      22.13868 
1 1 1 1  11 79  o 45.76481 14.74914 0.1588964      0.1059908     0.1693700      0.1515073     0.1488573      0.1483305     48.34515 17.56228 46.44158 17.28992 1.903564       24.64498 
1 1 1 1  11 80  o 64.37222 13.46943 0.3197542      0.1158801     0.2751658      0.1651848     0.3629603      0.1626041     58.08648 18.38052 66.65325 17.45915 -8.566769      25.35085 
1 1 1 1  11 81  o 33.58305 13.16160 0.5867982E-01  0.8885505E-01 -0.1282638E-01 0.1267102     0.1278635      0.1246355     32.57325 14.38009 43.14420 15.88976 -10.57095      21.43062 
1 1 1 1  11 82  o 37.81847 13.66830 0.9692310E-01  0.9160063E-01 0.2538739E-01  0.1298364     0.1678155      0.1292513     35.25526 15.06018 47.05346 16.30610 -11.79820      22.19680 
1 1 1 1  11 83  o 90.78858 11.94113 0.6216074      0.1460659     0.6545683      0.2083211     0.5897330      0.2048591     89.13082 17.55114 83.96916 18.19408 5.161659       25.27977 
1 1 1 1  11 84  o 57.14742 18.91804 0.2797853      0.1738322     0.3442844      0.2057568     0.1189526      0.3249111     62.06885 20.58370 51.90339 22.96465 10.16545       30.83932 
1 1 1 1  11 85  o 75.65966 22.40259 0.5536277      0.2506001     0.5536277      0.2506001     0.000000       0.000000      75.65966 22.40259 ?        ?        0.000000       22.40259 
1 1 1 1  11 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 1   o 112.0619 25.94050 0.9735061      0.3934662     0.000000       0.000000      0.9735061      0.3934662     ?        ?        112.0619 25.94050 0.000000       25.94050 
1 1 1 1  12 2   o 233.3990 24.42859 4.080167       0.7756268     4.080167       0.7756268     0.000000       0.000000      233.3990 24.42859 ?        ?        0.000000       24.42859 
1 1 1 1  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 9   o 99.54419 25.35670 0.7674077      0.3495029     0.000000       0.000000      0.7674077      0.3495029     ?        ?        99.54419 25.35670 0.000000       25.35670 
1 1 1 1  12 10  o 99.90823 18.41094 0.7390500      0.2446309     1.151108       0.3454941     0.3247597      0.3464286     124.2691 20.87457 71.34930 26.45074 52.91982       33.69554 
1 1 1 1  12 11  o 62.37238 18.30470 0.2860056      0.1679553     0.2994312      0.2367138     0.2723944      0.2383440     65.36595 22.08295 63.43907 22.13391 1.926880       31.26606 
1 1 1 1  12 12  o 56.91132 17.94437 0.2316879      0.1575472     0.3669290      0.2227587     0.9633331E-01  0.2228521     70.32914 21.18954 50.78371 20.52781 19.54543       29.50234 
1 1 1 1  12 13  o 163.7462 17.14885 1.940030       0.3819914     1.727326       0.5378014     2.156601       0.5426665     149.5237 27.04345 169.3076 23.87512 -19.78398      36.07450 
1 1 1 1  12 14  o 129.8933 17.64569 1.231121       0.3083003     1.266001       0.4357331     1.196154       0.4362724     128.2875 25.49619 124.2520 26.25067 4.035538       36.59444 
1 1 1 1  12 15  f 54.34888 17.78265 0.2064129      0.1537580     0.1822612      0.2145228     0.2319278      0.2204936     55.73026 20.78401 59.64383 21.24641 -3.913570      29.72180 
1 1 1 1  12 16  o 191.8794 17.02307 2.656504       0.4463453     2.339995       0.6263202     2.983132       0.6362523     174.6006 26.83750 199.6814 23.52719 -25.08075      35.69006 
1 1 1 1  12 17  o 145.8780 17.80532 1.549921       0.3512124     2.741688       0.5101262     0.4759414      0.4842613     193.7544 19.32508 83.81855 31.23349 109.9359       36.72859 
1 1 1 1  12 18  o 89.80852 19.26350 0.6040562      0.2317243     1.424333       0.3297549     -0.1961604     0.3256979     139.8983 17.44969 47.40996 21.77794 92.48834       27.90646 
1 1 1 1  12 19  o 128.5477 18.12113 1.210485       0.3127285     0.8925198      0.4379465     1.541308       0.4467137     106.0219 29.05326 142.8165 23.46769 -36.79466      37.34735 
1 1 1 1  12 20  o 105.4310 18.93024 0.8249898      0.2654611     0.8805785      0.3734576     0.7682179      0.3774110     106.4063 25.70565 99.05315 26.89916 7.353165       37.20679 
1 1 1 1  12 21  o 213.3315 13.72231 3.233554       0.4020774     3.143778       0.4896117     3.419500       0.7046369     208.7004 17.14132 213.1767 24.37623 -4.476364      29.79976 
1 1 1 1  12 22  o 132.6107 14.16035 1.259750       0.2552835     1.342633       0.3101550     1.085659       0.4495059     135.9503 16.88557 117.2319 28.12813 18.71842       32.80723 
1 1 1 1  12 23  o 104.0810 12.57539 0.7741936      0.1770660     0.8358678      0.2505809     0.7126882      0.2502379     106.5738 17.64523 97.68967 19.23557 8.884094       26.10290 
1 1 1 1  12 24  o 136.9367 12.07709 1.329862       0.2260211     1.198289       0.3184376     1.463445       0.3208604     127.6299 18.61700 142.0743 16.67240 -14.44439      24.99123 
1 1 1 1  12 25  o 167.4547 12.05818 1.983932       0.2769494     2.529897       0.3962460     1.462501       0.3872404     187.8351 15.41328 140.3166 20.59966 47.51851       25.72771 
1 1 1 1  12 26  o 198.7896 11.97831 2.791425       0.3272609     3.707245       0.4681390     1.916098       0.4576721     227.8067 14.96557 160.6213 21.14972 67.18542       25.90905 
1 1 1 1  12 27  o 175.3425 12.13221 2.175333       0.2919357     2.157912       0.4127358     2.192775       0.4129832     172.3808 17.58614 173.8517 17.43849 -1.470886      24.76637 
1 1 1 1  12 28  o 164.7308 12.08236 1.920897       0.2729132     1.912184       0.3856455     1.929637       0.3862705     162.2066 17.49489 162.9816 17.43427 -0.7750549     24.69868 
1 1 1 1  12 29  o 226.7485 11.87914 3.628564       0.3706416     3.394376       0.5233988     3.864130       0.5249373     216.4643 17.66491 231.7090 16.51499 -15.24464      24.18252 
1 1 1 1  12 30  o 143.8001 12.07835 1.466298       0.2376091     1.486273       0.3353990     1.446173       0.3366647     142.8358 17.36245 140.7227 17.71872 2.113113       24.80741 
1 1 1 1  12 31  o 189.3430 11.89587 2.533585       0.3094358     2.146162       0.4341450     2.933621       0.4411557     171.3198 18.65372 202.0019 15.94572 -30.68211      24.54032 
1 1 1 1  12 32  o 200.9444 11.89994 2.852693       0.3287151     2.441164       0.4613678     3.276971       0.4684601     182.8703 18.52686 213.5089 16.00629 -30.63853      24.48359 
1 1 1 1  12 33  o 191.0458 11.91335 2.579824       0.3127089     2.924118       0.4442869     2.241810       0.4402155     201.5639 16.09722 175.1850 18.47700 26.37885       24.50551 
1 1 1 1  12 34  o 258.1650 12.12115 4.697841       0.4320949     6.487070       0.6270061     3.079573       0.5962987     301.6991 15.05081 203.6757 21.52877 98.02333       26.26813 
1 1 1 1  12 35  o 99.88481 12.83735 0.7157626      0.1729590     0.9199511      0.2458415     0.5156440      0.2433790     112.2690 16.33752 82.26833 21.26843 30.00070       26.81903 
1 1 1 1  12 36  o 76.15932 13.61329 0.4226070      0.1379065     0.4973162      0.1955665     0.3487131      0.1944964     81.55447 17.86088 68.27206 19.60163 13.28240       26.51858 
1 1 1 1  12 37  o 119.3384 12.59311 1.016437       0.2043821     1.029073       0.2894729     1.003876       0.2886089     118.0176 18.36012 116.4478 18.57300 1.569801       26.11610 
1 1 1 1  12 38  o 131.5627 12.38349 1.232282       0.2223171     1.195760       0.3137976     1.269087       0.3150137     127.3343 18.37911 131.4896 17.80820 -4.155312      25.59148 
1 1 1 1  12 39  o 176.0231 12.08811 2.196132       0.2920291     1.999458       0.4111117     2.396446       0.4148973     165.1632 18.33584 181.8270 16.71216 -16.66383      24.80926 
1 1 1 1  12 40  o 152.7166 12.23721 1.657233       0.2558842     1.317401       0.3587305     2.009247       0.3651034     132.7927 20.20080 166.6220 16.06805 -33.82932      25.81191 
1 1 1 1  12 41  o 141.0570 12.41770 1.417200       0.2393998     1.236182       0.3361721     1.603459       0.3410044     128.8058 19.51219 148.2302 16.96596 -19.42436      25.85671 
1 1 1 1  12 42  o 179.3392 12.13684 2.283131       0.2987823     2.313235       0.4231277     2.253192       0.4219586     177.9847 17.44083 175.5287 17.64858 2.456024       24.81240 
1 1 1 1  12 43  o 38.30227 16.31437 0.1031743E-01  0.1515631     0.5721440      0.2169082     -0.5256932     0.2118661     87.08383 18.60344 27.75138 13.82867 59.33245       23.18017 
1 1 1 1  12 44  o 87.98053 21.65362 0.5984181      0.2612815     0.9965824      0.3750339     0.2228866      0.3642190     112.5260 24.80470 65.88871 26.38000 46.63731       36.21018 
1 1 1 1  12 45  o 48.74841 18.68357 0.1290201      0.1760923     0.2734232      0.2444952     -0.2662175E-01 0.2538314     63.00293 22.38039 46.70067 20.49402 16.30226       30.34612 
1 1 1 1  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 47  o 178.9227 17.39450 2.360008       0.4243168     2.264428       0.6004493     2.455348       0.5997006     168.4026 26.71379 176.6298 25.31217 -8.227219      36.80125 
1 1 1 1  12 48  o 218.4303 17.24668 3.516243       0.5159518     2.790238       0.7215014     4.276067       0.7381142     184.0011 29.38615 235.4341 22.99843 -51.43303      37.31586 
1 1 1 1  12 49  o 195.9484 14.31562 2.783893       0.3846570     2.072174       0.4700347     4.227011       0.6693091     164.2971 21.21419 235.7575 20.77224 -71.46033      29.69053 
1 1 1 1  12 50  o 177.4584 12.61483 2.265646       0.3070985     2.074407       0.4343022     2.456886       0.4343035     165.3473 19.39017 181.5139 17.54674 -16.16666      26.15085 
1 1 1 1  12 51  o 119.8264 13.14371 1.044449       0.2139041     1.053314       0.3020762     1.035533       0.3029380     117.0506 19.36705 115.8803 19.63346 1.170341       27.57816 
1 1 1 1  12 52  o 73.30886 15.38347 0.4069204      0.1507561     0.4411748      0.2091009     0.3698410      0.2175529     74.74210 19.90516 68.56461 21.00134 6.177498       28.93565 
1 1 1 1  12 53  f 59.66121 16.33483 0.2731100      0.1385099     0.3174069      0.1957628     0.2287045      0.1960027     63.84713 19.98278 56.51415 20.04237 7.332977       28.30209 
1 1 1 1  12 54  o 20.99510 9.970349 -0.9220754E-01 0.7826409E-01 -0.2120636E-01 0.1117217     -0.1606262     0.1096711     30.67715 13.52497 23.43954 11.30761 7.237608       17.62914 
1 1 1 1  12 55  o 77.50186 14.41154 0.4537964      0.1485505     0.6020707      0.2106162     0.3070165      0.2095521     87.68683 17.99789 62.62364 20.77291 25.06319       27.48523 
1 1 1 1  12 56  o 71.02193 15.25192 0.3876814      0.1451081     0.3523530      0.2044857     0.4235175      0.2059499     66.12473 20.37867 72.25522 19.97447 -6.130486      28.53541 
1 1 1 1  12 57  o 69.39260 15.64595 0.3736387      0.1463381     0.1829912      0.2048960     0.5721402      0.2090739     52.70210 20.16447 84.74850 18.39410 -32.04640      27.29375 
1 1 1 1  12 58  o 56.19577 16.13204 0.2466189      0.1317451     0.2203144      0.1854275     0.2734335      0.1872170     54.49048 19.47605 58.91153 19.63915 -4.421051      27.65886 
1 1 1 1  12 59  o 94.69527 14.25097 0.6794454      0.1805677     0.7164869      0.2552258     0.6423251      0.2554969     93.22897 20.39345 87.45756 21.34449 5.771408       29.52084 
1 1 1 1  12 60  f 60.15189 16.54774 0.2870507      0.1417495     0.3203695      0.1990526     0.2527698      0.2019060     62.61266 20.21584 57.18068 20.33519 5.431980       28.67403 
1 1 1 1  12 61  f 79.42413 15.56146 0.4918426      0.1645596     0.3842916      0.2314714     0.6017506      0.2339941     67.38166 21.80464 84.96795 20.23404 -17.58629      29.74657 
1 1 1 1  12 62  o 59.25040 17.06446 0.2812773      0.1471985     0.1920620      0.2049097     0.3764057      0.2115912     52.58237 20.15410 66.87701 20.74946 -14.29464      28.92625 
1 1 1 1  12 63  o 60.54742 16.94085 0.2946078      0.1472028     0.4284967      0.2062753     0.1556672      0.2101306     71.34763 20.08625 50.33059 20.07616 21.01703       28.39911 
1 1 1 1  12 64  o 87.02372 14.93536 0.5862823      0.1730065     0.4935978      0.2458636     0.6771856      0.2434900     75.15827 22.17249 89.96067 20.10715 -14.80240      29.93188 
1 1 1 1  12 65  o 77.91894 15.78663 0.4786782      0.1640321     0.3982497      0.2294076     0.5628128      0.2346336     67.98690 21.67664 81.17615 20.82935 -13.18925      30.06224 
1 1 1 1  12 66  o 77.82418 15.90083 0.4787152      0.1650999     0.6228479      0.2310812     0.3284211      0.2359686     86.25187 19.81869 62.58966 22.01287 23.66221       29.62004 
1 1 1 1  12 67  o 74.90825 16.46285 0.4482212      0.1656380     0.2501786      0.2317950     0.6548729      0.2367797     57.08919 21.54123 88.45683 19.87065 -31.36764      29.30644 
1 1 1 1  12 68  o 62.85615 16.75396 0.3185750      0.1480545     0.1872696      0.2089462     0.4509782      0.2098179     52.14934 20.25342 72.92297 20.16203 -20.77362      28.57811 
1 1 1 1  12 69  o 90.57771 15.44946 0.6394894      0.1862969     0.4803929      0.2632570     0.7990863      0.2636708     73.46720 23.19935 97.78385 20.19656 -24.31665      30.75892 
1 1 1 1  12 70  o 67.03501 17.50627 0.3658810      0.1638046     0.5698656      0.2320293     0.1632085      0.2312819     81.88900 20.55230 51.69125 20.90622 30.19775       29.31666 
1 1 1 1  12 71  o 129.7170 14.36163 1.282763       0.2529235     0.8627216      0.3538709     1.721429       0.3616311     95.77496 26.06256 146.4146 18.28595 -50.63959      31.83760 
1 1 1 1  12 72  o 156.0268 13.72905 1.840110       0.2927742     2.092673       0.4155618     1.591201       0.4125452     160.2283 19.16291 135.3922 22.88229 24.83611       29.84655 
1 1 1 1  12 73  o 141.5486 14.10662 1.528238       0.2720462     1.683820       0.3844101     1.372135       0.3850535     142.0966 20.15676 124.7565 23.20627 17.34004       30.73802 
1 1 1 1  12 74  f 138.4150 14.07097 1.467396       0.2651942     1.512224       0.3722116     1.421179       0.3779365     133.1734 20.93166 127.4966 22.27849 5.676773       30.56903 
1 1 1 1  12 75  o 94.06264 16.04272 0.7083150      0.2008941     0.8109528      0.2864615     0.6089835      0.2818100     94.95918 22.23808 80.29556 23.75226 14.66363       32.53770 
1 1 1 1  12 76  o 43.12505 18.68370 0.5815042E-01  0.2052745     0.6864708E-01  0.3165158     0.5053034E-01  0.2696804     49.84623 22.32065 46.76440 20.79497 3.081833       30.50643 
1 1 1 1  12 77  o 24.81585 12.13468 -0.2220890     0.1382694     0.3484802E-01  0.2089458     -0.4222619     0.1844264     41.80369 18.45997 25.48111 12.72939 16.32258       22.42338 
1 1 1 1  12 78  o 49.73698 20.40524 0.1848526      0.2241496     0.1848526      0.2241496     0.000000       0.000000      49.73698 20.40524 ?        ?        0.000000       20.40524 
1 1 1 1  12 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 0   f 64.10963 29.69915 0.4363527      0.2905871     0.000000       0.000000      0.4363527      0.2905871     64.10963 29.69915 64.10963 29.69915 0.000000       0.000000 
1 1 1 1  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 9   o 35.59323 15.38473 -0.9051669E-02 0.1385353     0.000000       0.000000      -0.9051669E-02 0.1385353     ?        ?        35.59323 15.38473 0.000000       15.38473 
1 1 1 1  13 10  o 106.5474 25.94138 0.8924286      0.3780843     0.8924286      0.3780843     0.000000       0.000000      106.5474 25.94138 ?        ?        0.000000       25.94138 
1 1 1 1  13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 17  o 65.08981 22.90442 0.2920176      0.2554980     0.000000       0.000000      0.2920176      0.2554980     ?        ?        65.08981 22.90442 0.000000       22.90442 
1 1 1 1  13 18  o 341.8085 25.09341 8.900602       1.176073      8.900602       1.176073      0.000000       0.000000      341.8085 25.09341 ?        ?        0.000000       25.09341 
1 1 1 1  13 19  o 68.16154 23.19482 0.3338925      0.2611694     0.3338925      0.2611694     0.000000       0.000000      68.16154 23.19482 ?        ?        0.000000       23.19482 
1 1 1 1  13 20  o 32.15907 14.52074 -0.6498184E-01 0.1371186     -0.6498184E-01 0.1371186     0.000000       0.000000      32.15907 14.52074 ?        ?        0.000000       14.52074 
1 1 1 1  13 21  o 41.25788 17.78301 -0.1282874E-02 0.1840446     0.000000       0.000000      -0.1282874E-02 0.1840446     ?        ?        41.25788 17.78301 0.000000       17.78301 
1 1 1 1  13 22  o 35.54828 15.98518 -0.6727059E-01 0.1641897     0.000000       0.000000      -0.6727059E-01 0.1641897     ?        ?        35.54828 15.98518 0.000000       15.98518 
1 1 1 1  13 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 24  o 81.00716 26.22810 0.5076638      0.3348796     0.000000       0.000000      0.5076638      0.3348796     ?        ?        81.00716 26.22810 0.000000       26.22810 
1 1 1 1  13 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 26  o 99.74546 27.13176 0.8051767      0.3835948     0.000000       0.000000      0.8051767      0.3835948     ?        ?        99.74546 27.13176 0.000000       27.13176 
1 1 1 1  13 27  o 39.56307 17.26084 -0.1764241E-01 0.1777454     0.000000       0.000000      -0.1764241E-01 0.1777454     ?        ?        39.56307 17.26084 0.000000       17.26084 
1 1 1 1  13 28  o 101.7559 26.25569 0.8366628      0.3713731     0.000000       0.000000      0.8366628      0.3713731     ?        ?        101.7559 26.25569 0.000000       26.25569 
1 1 1 1  13 29  o 126.9589 26.52164 1.299133       0.4499524     0.000000       0.000000      1.299133       0.4499524     ?        ?        126.9589 26.52164 0.000000       26.52164 
1 1 1 1  13 30  o 128.5228 18.12565 1.235199       0.3127395     1.071299       0.4432409     1.397686       0.4413261     113.6095 28.34665 132.5909 25.02242 -18.98140      37.81076 
1 1 1 1  13 31  o 98.35406 19.10280 0.7389887      0.2500831     0.7005755      0.3547503     0.7769380      0.3526015     92.46692 26.44992 97.60960 25.77839 -5.142677      36.93404 
1 1 1 1  13 32  o 115.7955 18.56149 1.014567       0.2867599     1.129150       0.4064659     0.9010220      0.4046198     117.9165 25.69039 103.8586 27.70343 14.05782       37.78196 
1 1 1 1  13 33  o 61.89129 16.91660 0.2911245      0.1486999     0.2761538      0.1847777     0.3186387      0.2504995     60.73656 19.46361 65.62602 22.70290 -4.889465      29.90408 
1 1 1 1  13 34  o 119.0766 12.89528 1.027997       0.2086415     0.9291164      0.2920849     1.131016       0.2981354     109.6032 20.03799 122.2385 18.21976 -12.63533      27.08285 
1 1 1 1  13 35  o 68.48724 15.24418 0.3543113      0.1404523     0.4807136      0.1985766     0.2277742      0.1986825     78.74902 18.56473 56.94431 20.18063 21.80471       27.42093 
1 1 1 1  13 36  o 86.51962 14.11710 0.5551217      0.1628375     0.6751900      0.2333024     0.4410661      0.2273857     93.41983 18.73791 74.49437 21.13009 18.92546       28.24164 
1 1 1 1  13 37  o 52.40926 15.60875 0.2060917      0.1213898     0.1645626      0.1714556     0.2478304      0.1718875     50.41606 18.62457 57.52549 18.80083 -7.109432      26.46404 
1 1 1 1  13 38  o 89.45675 14.22409 0.5957865      0.1698194     0.8126465      0.2404574     0.3799922      0.2398657     103.0280 17.53012 69.14211 22.17795 33.88589       28.26953 
1 1 1 1  13 39  o 55.33273 15.78510 0.2335397      0.1265237     0.1456127      0.1787678     0.3217898      0.1790959     49.17739 18.83043 64.07648 18.92973 -14.89909      26.70056 
1 1 1 1  13 40  o 55.35227 16.01680 0.2345147      0.1294058     0.3234460      0.1841626     0.1477802      0.1818737     64.06231 19.25877 49.41370 18.97613 14.64861       27.03689 
1 1 1 1  13 41  o 56.46005 16.00040 0.2455641      0.1304437     0.3274934      0.1855471     0.1655012      0.1834217     64.25880 19.33400 50.68165 19.15283 13.57714       27.21460 
1 1 1 1  13 42  o 43.86760 15.40191 0.1326914      0.1154947     0.1086614      0.1634791     0.1566362      0.1631895     45.08194 17.79425 48.75627 18.13849 -3.674328      25.40945 
1 1 1 1  13 43  o 47.80909 15.55489 0.1695419      0.1177081     0.2302629      0.1672592     0.1099615      0.1656809     55.07431 18.56288 45.24002 17.89556 9.834293       25.78433 
1 1 1 1  13 44  o 46.44750 15.62957 0.1573304      0.1185732     0.2377216      0.1700230     0.8120891E-01  0.1654462     55.66165 18.71584 43.11217 17.59089 12.54948       25.68505 
1 1 1 1  13 45  o 80.76801 15.14370 0.5016164      0.1626872     0.5846062      0.2286544     0.4165325      0.2315215     84.47177 19.92605 70.53186 21.67528 13.93991       29.44257 
1 1 1 1  13 46  o 106.5969 13.84155 0.8539166      0.1989272     0.8921892      0.2822594     0.8161464      0.2804009     104.4377 20.30406 99.12912 21.13095 5.308624       29.30481 
1 1 1 1  13 47  o 41.48919 15.04871 0.1149547      0.1111810     0.1130563      0.1608662     0.1166909      0.1538366     44.77175 17.65794 44.55722 17.35792 0.2145233      24.76086 
1 1 1 1  13 48  o 37.68988 13.96613 0.8903752E-01  0.9655908E-01 0.6500561E-01  0.1381658     0.1119806      0.1349996     39.33227 16.06500 42.79717 16.36933 -3.464901      22.93554 
1 1 1 1  13 49  o 40.44349 14.57848 0.1101659      0.1041063     0.4144385E-01  0.1467121     0.1798643      0.1477506     38.46259 16.20077 49.40983 17.41435 -10.94724      23.78496 
1 1 1 1  13 50  o 47.79158 15.61596 0.1730605      0.1185870     0.1380322      0.1691043     0.2069550      0.1663445     46.94664 18.22388 52.33142 18.47404 -5.384785      25.94995 
1 1 1 1  13 51  o 83.77946 15.06769 0.5441550      0.1679012     0.6529274      0.2383301     0.4369779      0.2365758     88.54346 19.96928 71.14991 21.91814 17.39355       29.65092 
1 1 1 1  13 52  o 123.4047 13.92126 1.152193       0.2330728     1.188237       0.3312993     1.116873       0.3279555     119.3113 20.86952 115.0719 21.42840 4.239395       29.91176 
1 1 1 1  13 53  o 130.4359 13.87930 1.286557       0.2461382     1.149120       0.3455800     1.428065       0.3506597     115.6192 22.45557 131.8910 19.87126 -16.27180      29.98532 
1 1 1 1  13 54  o 175.9854 13.25262 2.318144       0.3196810     2.232309       0.4517498     2.404244       0.4524452     164.5276 20.31627 171.9891 19.38977 -7.461472      28.08406 
1 1 1 1  13 55  o 108.6754 14.23004 0.9010227      0.2084080     1.031327       0.2935520     0.7685997      0.2959292     111.8316 19.73126 93.24446 23.10253 18.58713       30.38173 
1 1 1 1  13 56  o 74.63311 16.22742 0.4431314      0.1624646     0.2658848      0.2286788     0.6237692      0.2308560     58.12033 21.50150 86.37846 19.78098 -28.25813      29.21646 
1 1 1 1  13 57  o 137.0802 13.92449 1.421918       0.2599088     1.077438       0.3633792     1.782748       0.3719020     109.4531 24.63758 148.9421 18.48014 -39.48902      30.79815 
1 1 1 1  13 58  o 56.46833 16.56265 0.2546098      0.1375426     0.4526041      0.1923967     0.4765095E-01  0.1967040     73.93933 18.80190 43.03635 18.46442 30.90298       26.35235 
1 1 1 1  13 59  o 97.26589 14.73380 0.7280651      0.1916886     0.8995719      0.2710956     0.5565760      0.2710816     104.5664 19.49266 78.94712 23.27947 25.61930       30.36276 
1 1 1 1  13 60  o 85.26272 10.38723 0.5329851      0.1197643     0.7930518      0.1914057     0.3656538      0.1535328     102.0733 13.94497 67.46956 16.59475 34.60372       21.67597 
1 1 1 1  13 61  o 48.70466 16.45757 0.1805390      0.1314745     0.3028390      0.1858816     0.5810369E-01  0.1859844     60.54482 19.53424 42.69154 18.12511 17.85328       26.64782 
1 1 1 1  13 62  o 93.11812 15.04423 0.6735802      0.1868430     0.6381410      0.2632648     0.7095472      0.2652179     85.19983 22.16622 90.58226 21.52235 -5.382431      30.89584 
1 1 1 1  13 63  o 69.03613 16.51525 0.3849910      0.1553210     0.4488463      0.2185579     0.3198349      0.2207730     71.93987 20.81489 61.50574 21.31128 10.43413       29.78977 
1 1 1 1  13 64  o 64.01411 16.88655 0.3353847      0.1514179     0.2559653      0.2118236     0.4183712      0.2165283     56.42501 20.72490 69.15431 20.90361 -12.72930      29.43607 
1 1 1 1  13 65  o 85.33634 15.74434 0.5810982      0.1786875     0.5245249      0.2523269     0.6380094      0.2530793     75.71042 22.49384 84.59980 21.59205 -8.889381      31.17995 
1 1 1 1  13 66  o 54.46163 20.86139 0.2362494      0.2194590     0.4160486      0.3084305     0.5187513E-01  0.3123301     66.10474 24.86846 49.32055 22.12271 16.78419       33.28445 
1 1 1 1  13 67  o 22.68562 11.10122 -0.1969194     0.1163593     -0.2366728     0.1903453     -0.1731999     0.1470309     30.40962 14.72501 27.50110 13.22277 2.908518       19.79060 
1 1 1 1  13 68  o 18.04017 9.012640 -0.2312195     0.9250374E-01 -0.3216072     0.1416113     -0.1639449     0.1221711     22.65102 11.29008 24.48490 11.84177 -1.833883      16.36135 
1 1 1 1  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 8   o ?        ?        -0.2790102     0.6235489E-01 0.000000       0.000000      -0.2790102     0.6235489E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 1  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 10  o ?        ?        -0.3623718     0.5850935E-01 -0.3623718     0.5850935E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 1  14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 17  o 157.9391 28.92343 2.228975       0.6075339     0.000000       0.000000      2.228975       0.6075339     ?        ?        157.9391 28.92343 0.000000       28.92343 
1 1 1 1  14 18  f 36.77482 16.13377 -0.1129491E-01 0.1572173     0.000000       0.000000      -0.1129491E-01 0.1572173     ?        ?        36.77482 16.13377 0.000000       16.13377 
1 1 1 1  14 19  o 29.23605 13.55952 -0.9418053E-01 0.1306970     -0.9418053E-01 0.1306970     0.000000       0.000000      29.23605 13.55952 ?        ?        0.000000       13.55952 
1 1 1 1  14 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 27  o 48.05849 18.04910 0.1544217      0.1623362     0.2875454      0.2236305     0.6130216E-02  0.2360269     60.29980 21.40586 44.54961 19.64884 15.75020       29.05663 
1 1 1 1  14 28  o 60.00776 18.15255 0.2889512      0.1632404     0.5922434      0.2003056     -0.3108274     0.2816812     86.34007 17.40241 38.01449 18.28379 48.32558       25.24165 
1 1 1 1  14 29  o 126.5559 13.55973 1.199569       0.2332686     1.316183       0.3274403     1.079396       0.3323989     128.0143 19.10920 113.1616 22.06537 14.85268       29.18976 
1 1 1 1  14 30  o 75.75703 15.45486 0.4476178      0.1561924     0.4404284      0.2203891     0.4548729      0.2213932     72.20853 20.90459 73.38596 20.86169 -1.177437      29.53324 
1 1 1 1  14 31  o 94.72599 14.52351 0.6856954      0.1839077     0.6179715      0.2598193     0.7536968      0.2603512     84.76846 22.00450 95.20269 20.41733 -10.43423      30.01775 
1 1 1 1  14 32  o 54.82834 16.03881 0.2368441      0.1291326     0.2289750      0.1824682     0.2447397      0.1827745     54.62062 19.34152 55.92510 19.38999 -1.304482      27.38734 
1 1 1 1  14 33  o 81.52526 15.36627 0.5175408      0.1666364     0.3719930      0.2352789     0.6640342      0.2360419     66.19781 22.01368 89.65506 19.61235 -23.45724      29.48298 
1 1 1 1  14 34  o 88.75946 15.00263 0.6087722      0.1773205     0.6569319      0.2513174     0.5610307      0.2502242     88.05335 20.97025 80.51107 21.91881 7.542282       30.33456 
1 1 1 1  14 35  o 72.20309 16.09622 0.4133213      0.1563840     0.3492747      0.2210308     0.4775185      0.2212902     64.41395 21.33271 74.93090 20.70127 -10.51695      29.72587 
1 1 1 1  14 36  o 101.7493 14.52464 0.7926280      0.1982762     0.7659487      0.2785078     0.8200468      0.2823412     94.46611 21.79488 98.17922 21.42821 -3.713112      30.56444 
1 1 1 1  14 37  o 120.1161 13.89873 1.092558       0.2262650     1.053777       0.3196442     1.131506       0.3203309     111.5178 21.53772 116.4872 20.67220 -4.969414      29.85320 
1 1 1 1  14 38  o 138.1364 13.49503 1.435350       0.2541188     1.300510       0.3561788     1.575147       0.3626657     124.0638 21.57479 139.0362 19.42051 -14.97243      29.02805 
1 1 1 1  14 39  o 70.73440 18.70180 0.4140758      0.1854483     -0.8527608E-01 0.3168164     0.6743491      0.2287279     46.46225 21.39297 90.65323 18.88550 -44.19098      28.53632 
1 1 1 1  14 40  o 54.67659 17.46834 0.2376637      0.1489217     0.2805536      0.2686642     0.2186408      0.1789249     59.98393 23.05694 53.45175 19.12867 6.532185       29.95878 
1 1 1 1  14 41  o ?        ?        -0.3209807     0.5109286E-01 -0.4546861     0.6794597E-01 -0.1470001     0.7750675E-01 ?        ?        18.31246 8.981793 0.000000       8.981793 
1 1 1 1  14 42  o 32.53508 14.74989 -0.5212640E-01 0.1431371     -0.2572559E-01 0.1977803     -0.8116233E-01 0.2074160     39.50957 17.67146 38.05941 17.44451 1.450153       24.83126 
1 1 1 1  14 43  o 23.34344 11.32058 -0.1732308     0.1135946     -0.2255177     0.1538294     -0.1105251     0.1684597     27.13529 13.16275 32.89466 15.30306 -5.759363      20.18519 
1 1 1 1  14 44  o 27.04241 12.78792 -0.1240065     0.1261415     -0.2118909     0.1767648     -0.3281204E-01 0.1800628     30.28517 14.54493 37.51649 16.81487 -7.231316      22.23274 
1 1 1 1  14 45  o 26.46634 12.59837 -0.1392429     0.1264226     -0.1083582     0.1810117     -0.1686556     0.1766453     34.35837 15.94311 31.67389 15.02335 2.684484       21.90625 
1 1 1 1  14 46  o 22.06049 10.83751 -0.2156629     0.1142822     -0.4574169     0.1619849     0.2392182E-01  0.1612565     22.77393 11.45430 38.62771 16.64755 -15.85378      20.20747 
1 1 1 1  14 47  o 47.98510 19.11486 0.1384607      0.1902543     0.2239005      0.2714676     0.5598571E-01  0.2667159     56.76365 22.75766 48.31933 21.11082 8.444324       31.04155 
1 1 1 1  14 48  o 38.37724 16.65273 0.1677154E-01  0.1635820     0.2105007      0.2387206     -0.1547228     0.2246039     54.72373 21.53362 36.95845 17.34806 17.76528       27.65234 
1 1 1 1  14 49  o 77.91348 19.21751 0.5081390      0.2054624     0.9917744      0.2532898     -0.4223871     0.3513363     111.7554 16.94535 40.40452 19.66648 71.35091       25.95988 
1 1 1 1  14 50  o 51.84644 17.53857 0.2109332      0.1493149     0.3189207      0.1793640     -0.3283427E-01 0.2694861     61.78286 19.09338 44.65431 20.24190 17.12855       27.82610 
1 1 1 1  14 51  o 76.57804 15.80247 0.4675049      0.1615538     0.3734220      0.2269305     0.5641876      0.2300446     65.35125 21.61422 80.76073 20.57176 -15.40948      29.83909 
1 1 1 1  14 52  o 28.81532 12.44611 0.3493410E-02  0.9053576E-01 -0.1079860     0.1318000     0.1030917      0.1245788     28.28599 13.28109 40.69773 15.68539 -12.41174      20.55284 
1 1 1 1  14 53  o 51.14892 16.23385 0.2100837      0.1287795     0.1777217      0.1810410     0.2432301      0.1832221     49.45832 18.94698 54.57816 19.37555 -5.119835      27.09981 
1 1 1 1  14 54  o 24.49393 11.68198 -0.1220569     0.1098062     -0.1766817     0.1610936     -0.7465194E-01 0.1500706     29.15899 13.97247 31.78913 14.66801 -2.630138      20.25785 
1 1 1 1  14 55  o 29.28265 13.53729 -0.7093024E-01 0.1287309     0.9410598E-01  0.1860837     -0.2224034     0.1782734     43.60095 18.29895 29.54253 14.29188 14.05842       23.21873 
1 1 1 1  14 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 8   o ?        ?        -0.4456153     0.6018249E-01 0.000000       0.000000      -0.4456153     0.6018249E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 1  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 18  o ?        ?        -0.3173710     0.5777634E-01 0.000000       0.000000      -0.3173710     0.5777634E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 1  15 19  f 65.13359 24.38018 0.3570811      0.2957122     0.3570811      0.2957122     0.000000       0.000000      65.13359 24.38018 ?        ?        0.000000       24.38018 
1 1 1 1  15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 28  o ?        ?        -0.5676272     0.6366097E-01 0.000000       0.000000      -0.5676272     0.6366097E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 1  15 29  o 41.34879 17.47520 0.5641500E-01  0.1716303     0.2658213      0.2450758     -0.1451348     0.2404345     58.22942 22.10682 38.61749 18.06990 19.61192       28.55229 
1 1 1 1  15 30  o 47.93740 17.39368 0.1678443      0.1485491     0.1025092      0.1760766     0.3291826      0.2766921     44.52113 18.15438 62.57605 23.55162 -18.05493      29.73652 
1 1 1 1  15 31  o 37.97342 15.07923 0.7564019E-01  0.1180574     0.9375532E-01  0.1378959     0.2591690E-01  0.2284602     41.08261 16.30235 44.06326 19.38715 -2.980640      25.33038 
1 1 1 1  15 32  o 46.69427 15.73680 0.1661838      0.1202075     0.9808996E-01  0.1692804     0.2354466      0.1707271     43.61084 17.79386 54.22497 18.74350 -10.61414      25.84454 
1 1 1 1  15 33  o 39.70351 15.16836 0.9851498E-01  0.1158331     -0.6545006E-01 0.1617509     0.2711155      0.1659556     33.77203 15.45200 57.27243 18.45539 -23.50040      24.07002 
1 1 1 1  15 34  o 26.59917 11.92426 -0.2734225E-01 0.9060319E-01 -0.6818406E-01 0.1271548     0.1477996E-01  0.1291326     29.47464 13.56446 34.40558 14.86244 -4.930935      20.12180 
1 1 1 1  15 35  o 29.28349 13.14058 -0.2945030E-01 0.1103181     -0.4981620E-01 0.1289493     0.2614937E-01  0.2130606     30.58047 13.91618 42.46587 18.70226 -11.88541      23.31169 
1 1 1 1  15 36  o 38.50039 16.71803 0.2709665E-01  0.1651012     0.1079430      0.2316993     -0.5629566E-01 0.2353193     47.46817 20.19380 40.57096 18.59023 6.897209       27.44788 
1 1 1 1  15 37  o 36.51500 16.19556 -0.2632194E-02 0.1625619     -0.5937937E-01 0.2272558     0.5683214E-01  0.2326329     39.62811 18.19893 44.80230 19.64128 -5.174191      26.77650 
1 1 1 1  15 38  o 24.59454 11.83517 -0.1492428     0.1183799     -0.3174058     0.1772940     -0.1395658E-01 0.1590214     26.98038 13.30188 35.47212 15.85705 -8.491737      20.69749 
1 1 1 1  15 39  o 42.77828 19.07715 0.2851314E-01  0.2286852     0.000000       0.000000      0.2851314E-01  0.2286852     ?        ?        42.77828 19.07715 0.000000       19.07715 
1 1 1 1  15 40  o 31.94022 15.16393 -0.1449692     0.1807956     0.000000       0.000000      -0.1449692     0.1807956     ?        ?        31.94022 15.16393 0.000000       15.16393 
1 1 1 1  15 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  0   o 2174.168 46.02161 328.5649       13.80237      328.5649       13.80237      0.000000       0.000000      2174.168 46.02161 2174.168 46.02161 0.000000       0.000000 
1 1 1 2  0  1   o 904.4492 27.16003 56.84298       3.385050      0.000000       0.000000      56.84298       3.385050      904.4492 27.16003 904.4492 27.16003 -0.000000      0.000000 
1 1 1 2  0  2   o 487.3451 23.18782 16.55348       1.552344      0.000000       0.000000      16.55348       1.552344      487.3451 23.18782 487.3451 23.18782 -0.000000      0.000000 
1 1 1 2  0  3   o 3202.995 44.87166 716.0280       19.83692      717.0222       28.17559      715.0507       27.93327      3187.419 64.07551 3183.539 63.60113 -0.000000      0.000000 
1 1 1 2  0  4   o 594.1313 16.89059 24.46554       1.383154      22.03897       1.890565      27.26022       2.028904      562.5520 24.44333 626.1573 23.54159 0.000000       0.000000 
1 1 1 2  0  5   o 964.7443 15.92764 64.39481       2.120482      63.77144       2.583595      65.68145       3.711747      959.5496 19.51752 972.2823 27.69784 -0.000000      0.000000 
1 1 1 2  0  6   o 1822.908 22.93128 230.1504       5.770004      238.6836       10.37775      226.3322       6.941910      1850.188 40.66523 1806.359 27.84643 0.000000       0.000000 
1 1 1 2  0  7   o 2740.261 31.71643 521.3137       11.99729      536.5574       21.52853      514.4473       14.44885      2763.569 56.46969 2718.585 38.50780 0.000000       0.000000 
1 1 1 2  0  8   o 182.3325 10.78664 2.320645       0.2693981     2.386205       0.3817704     2.255620       0.3802073     183.9237 15.27472 178.6020 15.69570 0.000000       0.000000 
1 1 1 2  0  9   o 2812.509 28.04774 548.4965       10.89012      557.1045       15.70151      540.5173       15.11701      2828.066 40.22647 2786.176 39.31102 0.000000       0.000000 
1 1 1 2  0  10  o 918.5050 13.52352 58.33916       1.714341      57.65889       2.408244      59.03807       2.440975      912.4028 19.13406 923.2599 19.16567 -0.000000      0.000000 
1 1 1 2  0  11  o 2725.672 27.29518 515.0420       10.27069      509.0580       14.31717      521.3864       14.74203      2704.376 38.35740 2736.555 39.03143 -0.000000      0.000000 
1 1 1 2  0  12  o 1219.185 15.39446 102.7975       2.590693      102.6440       3.658625      102.9518       3.668983      1217.242 21.78295 1219.063 21.81199 0.000000       0.000000 
1 1 1 2  0  13  o 730.4845 12.50565 36.90282       1.260573      36.62020       1.777794      37.18859       1.787687      727.0606 17.73196 732.6966 17.69301 -0.000000      0.000000 
1 1 1 2  0  14  o 638.8142 12.07113 28.22579       1.063924      28.53909       1.509934      27.91687       1.499353      641.7755 17.06600 634.7166 17.13572 0.000000       0.000000 
1 1 1 2  0  15  o 243.4096 10.85513 4.117379       0.3631952     4.132987       0.5134988     4.101755       0.5137724     243.0620 15.44267 242.1160 15.51377 0.000000       0.000000 
1 1 1 2  0  16  o 1529.658 17.60690 161.8677       3.717797      162.8462       5.289099      160.9121       5.226968      1532.730 25.00568 1523.629 24.85955 -0.000000      0.000000 
1 1 1 2  0  17  o 113.9648 11.03035 0.9221948      0.1698455     0.8692627      0.2397394     0.9755338      0.2406589     108.1823 17.39843 115.6371 15.93314 0.000000       0.000000 
1 1 1 2  0  18  o 1140.089 17.19535 89.93763       2.705609      89.65237       4.667227      90.08203       3.320470      1135.776 29.80608 1140.370 21.10334 0.000000       0.000000 
1 1 1 2  0  19  o 112.3041 12.99616 0.9059177      0.1945060     0.8473619      0.2383193     1.022738       0.3366148     106.6036 17.64320 114.7365 24.13284 -0.000000      0.000000 
1 1 1 2  0  20  o 498.0953 13.32944 17.18147       0.9152898     17.14994       1.119692      17.24497       1.589038      497.2540 16.34734 497.4702 23.24854 0.000000       0.000000 
1 1 1 2  0  21  o 139.3306 12.75608 1.374786       0.2406859     1.477180       0.4180379     1.324013       0.2943721     140.5833 23.51188 135.5164 16.36468 0.000000       0.000000 
1 1 1 2  0  22  o 893.8018 15.47836 55.27357       1.909020      55.26217       3.307410      55.27927       2.337747      891.7871 26.91443 893.3696 18.97014 -0.000000      0.000000 
1 1 1 2  0  23  o 190.6716 12.61643 2.544887       0.3288331     2.774119       0.5720425     2.431756       0.4018660     196.7060 21.73877 185.5258 15.95862 -0.000000      0.000000 
1 1 1 2  0  24  o 222.2977 10.90462 3.438409       0.3328848     3.564450       0.4712692     3.312900       0.4702727     225.5417 15.29370 217.1918 15.87576 0.000000       0.000000 
1 1 1 2  0  25  o 577.2336 11.85958 23.05033       0.9443763     23.00186       1.336143      23.09872       1.334957      576.0430 16.83061 577.2647 16.77975 -0.000000      0.000000 
1 1 1 2  0  26  o 560.4659 11.79856 21.73187       0.9121821     21.83192       1.293384      21.63285       1.286683      561.1777 16.72488 558.6079 16.71504 -0.000000      0.000000 
1 1 1 2  0  27  o 230.1385 10.92267 3.683591       0.3453194     3.799453       0.4886599     3.568016       0.4880514     232.9442 15.34484 225.5310 15.85176 0.000000       0.000000 
1 1 1 2  0  28  o 1366.687 16.47130 129.1970       3.107368      129.0085       4.386064      129.3871       4.402950      1364.423 23.29558 1366.413 23.35123 0.000000       0.000000 
1 1 1 2  0  29  o 365.2675 11.17930 9.243394       0.5626546     9.270122       0.7950439     9.216574       0.7963852     365.1630 15.83538 364.0890 15.90995 0.000000       0.000000 
1 1 1 2  0  30  o 1931.402 20.74055 258.2205       5.529912      257.7712       7.802463      258.6739       7.838613      1927.201 29.33550 1930.546 29.42039 0.000000       0.000000 
1 1 1 2  0  31  o 605.8939 12.03361 25.39499       1.005875      25.33397       1.423587      25.45582       1.421459      604.5658 17.08392 606.0308 17.01675 -0.000000      0.000000 
1 1 1 2  0  32  o 1182.192 15.22186 96.65769       2.483884      96.78918       3.513561      96.52631       3.511923      1181.971 21.54410 1180.359 21.56353 0.000000       0.000000 
1 1 1 2  0  33  o 277.6402 11.02055 5.350533       0.4209847     5.312588       0.5942237     5.388769       0.5965075     275.8809 15.71542 277.8814 15.65973 0.000000       0.000000 
1 1 1 2  0  34  o 188.9327 10.99571 2.491005       0.2846353     2.638829       0.4031510     2.344081       0.4019220     193.5902 15.30145 181.9785 16.29549 0.000000       0.000000 
1 1 1 2  0  35  o 1317.493 16.14787 120.0685       2.936667      118.6028       4.107540      121.6011       4.200158      1308.198 22.75447 1324.596 22.97941 0.000000       0.000000 
1 1 1 2  0  36  o 511.8517 11.66810 18.13048       0.8237064     18.40593       1.170932      17.86063       1.158954      515.1373 16.49989 507.4136 16.58128 -0.000000      0.000000 
1 1 1 2  0  37  o 70.06950 13.05445 0.3725061      0.1134411     0.2549983      0.1600905     0.4910159      0.1607717     50.75486 22.06272 79.61244 16.58850 -0.000000      0.000000 
1 1 1 2  0  38  o 184.2099 11.05650 2.369727       0.2789143     2.375288       0.3950580     2.364202       0.3938336     183.3128 15.88161 182.8779 15.87099 -0.000000      0.000000 
1 1 1 2  0  39  o 630.6373 14.12635 27.53337       1.228727      30.22579       2.189512      26.29564       1.484528      659.1496 24.12947 615.8164 17.49010 0.000000       0.000000 
1 1 1 2  0  40  o 594.6322 13.88961 24.48238       1.139045      24.00849       1.385529      25.47042       2.000638      588.4014 17.08572 604.8379 24.04103 0.000000       0.000000 
1 1 1 2  0  41  f 266.4389 15.87712 4.961388       0.5793776     3.821987       0.8036923     6.194203       0.8359889     230.4639 26.12074 296.9902 20.61351 0.000000       0.000000 
1 1 1 2  0  42  o 612.0895 17.16304 25.98045       1.448019      26.72241       2.067222      25.26573       2.028931      619.4551 24.25235 602.2031 24.49187 -0.000000      0.000000 
1 1 1 2  0  43  o 477.4974 13.39364 15.79944       0.8815241     15.60974       1.076086      16.18648       1.537053      474.1659 16.48048 481.5811 23.23768 0.000000       0.000000 
1 1 1 2  0  44  o 196.6411 11.07100 2.697459       0.2984280     2.730531       0.4218455     2.664325       0.4222367     196.8187 15.75425 194.3114 15.98584 0.000000       0.000000 
1 1 1 2  0  45  o 224.8802 11.07608 3.520299       0.3420313     3.490783       0.4840386     3.549734       0.4833728     222.9465 15.90934 224.8884 15.74321 -0.000000      0.000000 
1 1 1 2  0  46  o 370.1610 11.30673 9.496916       0.5766969     9.596796       0.8159086     9.397200       0.8152369     371.3924 15.97728 367.4594 16.13789 0.000000       0.000000 
1 1 1 2  0  47  o 145.6868 11.24111 1.493056       0.2230386     1.355885       0.3145458     1.631771       0.3163099     136.7420 17.43180 151.2327 15.52171 0.000000       0.000000 
1 1 1 2  0  48  o 74.87542 13.00909 0.4209489      0.1223339     0.4250488      0.1721982     0.4167709      0.1738258     71.11312 20.23907 69.97800 20.68817 0.000000       0.000000 
1 1 1 2  0  49  o 160.0468 11.19862 1.796664       0.2447025     1.912641       0.3462265     1.680908       0.3458969     164.0467 15.60929 153.0847 16.88814 0.000000       0.000000 
1 1 1 2  0  50  o 73.14974 13.19403 0.4041756      0.1203883     0.4000290      0.1710720     0.4082440      0.1694493     68.16267 20.80620 69.31435 20.37525 -0.000000      0.000000 
1 1 1 2  0  51  o 101.6434 11.80175 0.7428871      0.1598159     0.7098258      0.2265324     0.7756473      0.2254988     95.94955 19.28583 101.5241 17.69551 -0.000000      0.000000 
1 1 1 2  0  52  o 372.7118 11.36640 9.635368       0.5837388     9.696634       0.8272809     9.574619       0.8237928     373.0267 16.12971 370.6515 16.16583 -0.000000      0.000000 
1 1 1 2  0  53  o 109.6129 11.68906 0.8592074      0.1718545     0.8405937      0.2434866     0.8776846      0.2425939     105.6606 18.34648 108.5094 17.57338 -0.000000      0.000000 
1 1 1 2  0  54  o 136.0290 11.41954 1.307268       0.2110175     1.352429       0.2983089     1.262038       0.2985389     136.7816 16.42072 131.6144 17.24767 0.000000       0.000000 
1 1 1 2  0  55  o 279.3526 11.23523 5.427742       0.4317912     5.486116       0.6118701     5.369833       0.6094270     279.8190 15.95460 276.7791 16.06992 -0.000000      0.000000 
1 1 1 2  0  56  o 172.4043 11.33680 2.084409       0.2672064     1.953944       0.3768668     2.216296       0.3789153     165.1793 16.93078 176.5990 15.83134 0.000000       0.000000 
1 1 1 2  0  57  o 422.8327 11.56486 12.41162       0.6740803     12.12431       0.9487324     12.70452       0.9579209     416.6953 16.54801 426.6607 16.31372 0.000000       0.000000 
1 1 1 2  0  58  o 108.2206 11.89530 0.8404513      0.1722818     0.9030766      0.2443038     0.7784986      0.2429882     110.1131 17.35717 100.5308 19.65359 0.000000       0.000000 
1 1 1 2  0  59  o 183.4780 13.12642 2.371667       0.3286479     2.478409       0.4032753     2.160594       0.5670882     186.7724 15.90212 169.7668 26.00408 -0.000000      0.000000 
1 1 1 2  0  60  o 28.43895 16.33343 0.7130580E-01  0.1022611     0.2586025      0.1498329     -0.9201441E-01 0.1399142     51.37815 21.25846 21.52805 14.74950 0.000000       0.000000 
1 1 1 2  0  61  o 68.97839 21.30456 0.4142484      0.1775904     0.4656754      0.2511998     0.3628617      0.2511016     69.40853 27.31128 59.28597 27.60066 0.000000       0.000000 
1 1 1 2  0  62  o 42.23425 19.83301 0.1826481      0.1298542     0.1590236      0.1846570     0.2057600      0.1826427     40.47750 22.45109 44.67131 23.06483 -0.000000      0.000000 
1 1 1 2  0  63  o 206.7392 13.17405 3.007996       0.3725786     3.267719       0.6478132     2.879622       0.4554417     211.7883 22.82238 201.0475 16.66940 -0.000000      0.000000 
1 1 1 2  0  64  o 220.8088 11.36804 3.412067       0.3445120     3.301816       0.4863214     3.523132       0.4881106     215.5283 16.56617 222.9436 16.04671 0.000000       0.000000 
1 1 1 2  0  65  o 110.8997 12.11807 0.8845713      0.1799366     0.9486849      0.2540817     0.8200655      0.2548576     112.6353 17.62369 102.8550 20.15607 -0.000000      0.000000 
1 1 1 2  0  66  o 195.1764 11.43260 2.672989       0.3056935     2.716563       0.4327958     2.629608       0.4318375     195.1663 16.32247 191.8516 16.58630 0.000000       0.000000 
1 1 1 2  0  67  o 64.60531 15.61982 0.3364457      0.1207911     0.3063531      0.1694656     0.3675233      0.1722163     56.14018 22.50492 63.57441 21.82204 -0.000000      0.000000 
1 1 1 2  0  68  o 139.9822 11.78322 1.389626       0.2240457     1.383607       0.3176455     1.395585       0.3160573     137.4805 17.50701 138.1906 17.29703 0.000000       0.000000 
1 1 1 2  0  69  o 144.2657 11.76797 1.473936       0.2308358     1.531773       0.3276159     1.416915       0.3252986     145.2254 16.93951 139.1245 17.71702 0.000000       0.000000 
1 1 1 2  0  70  o 312.7455 11.51267 6.818687       0.4956415     6.852707       0.7008267     6.784645       0.7010591     311.9974 16.37045 310.3979 16.46256 -0.000000      0.000000 
1 1 1 2  0  71  f 178.0394 11.60468 2.228258       0.2825102     2.374260       0.3997976     2.082646       0.3992624     182.3807 16.16758 170.0500 17.42279 -0.000000      0.000000 
1 1 1 2  0  72  o 407.0059 11.72074 11.52868       0.6574733     11.50933       0.9300181     11.54800       0.9295974     405.0096 16.69432 405.7070 16.65757 0.000000       0.000000 
1 1 1 2  0  73  o 184.8212 11.61590 2.398637       0.2937599     2.424161       0.4165314     2.373378       0.4143556     184.1761 16.69398 182.1495 16.80302 0.000000       0.000000 
1 1 1 2  0  74  o 255.1417 11.54655 4.545448       0.4048943     4.588793       0.5723402     4.502021       0.5728743     254.9106 16.41643 252.3948 16.60251 -0.000000      0.000000 
1 1 1 2  0  75  o 158.1545 11.79932 1.764871       0.2543802     1.803773       0.3607883     1.726415       0.3587165     158.1038 17.02559 154.4140 17.39162 0.000000       0.000000 
1 1 1 2  0  76  o 219.5437 11.58674 3.373151       0.3490188     3.681668       0.4957483     3.069957       0.4914538     228.1516 15.91402 207.4911 17.43650 -0.000000      0.000000 
1 1 1 2  0  77  o 221.3678 11.61554 3.429564       0.3528196     3.588679       0.5010321     3.273050       0.4969178     225.0464 16.32061 214.5091 17.02309 0.000000       0.000000 
1 1 1 2  0  78  o 233.9047 11.62680 3.826726       0.3734071     3.836438       0.5288427     3.817070       0.5273154     232.6279 16.66000 232.0329 16.65540 0.000000       0.000000 
1 1 1 2  0  79  o 111.7773 14.91129 0.9153998      0.2186777     0.9102355      0.3793395     0.9179704      0.2676204     101.7027 30.93734 109.7548 19.49181 0.000000       0.000000 
1 1 1 2  0  80  o 124.1832 14.69791 1.118814       0.2427433     1.347700       0.2991031     0.6771729      0.4154754     135.9684 16.59102 80.80151 35.55019 0.000000       0.000000 
1 1 1 2  0  81  o 229.1010 16.79090 3.731445       0.5246187     3.646391       0.7416224     3.816637       0.7422237     222.5784 24.93305 228.2794 24.16623 0.000000       0.000000 
1 1 1 2  0  82  o 124.6723 18.77637 1.161018       0.3015859     1.254056       0.4228801     1.064718       0.4302287     124.4231 28.23105 110.1363 32.53723 -0.000000      0.000000 
1 1 1 2  0  83  o 137.8803 14.48461 1.370204       0.2688052     1.659003       0.4610468     1.221477       0.3308580     147.1028 24.81975 127.1524 20.42459 -0.000000      0.000000 
1 1 1 2  0  84  f 319.5227 11.79190 7.135449       0.5186558     7.443397       0.7355210     6.830881       0.7314761     324.5107 16.51208 310.4621 17.18327 -0.000000      0.000000 
1 1 1 2  0  85  o 128.4155 12.64379 1.182035       0.2192103     1.214198       0.3124776     1.150869       0.3076002     127.3630 19.01680 123.5659 19.47428 0.000000       0.000000 
1 1 1 2  0  86  o 290.9226 11.81108 5.923686       0.4726889     5.784809       0.6682817     6.062731       0.6686847     285.3480 17.10148 292.3845 16.68696 0.000000       0.000000 
1 1 1 2  0  87  o 74.65046 16.81435 0.4437582      0.1512352     0.3771949      0.2103438     0.5149919      0.2175984     61.72174 25.12957 76.50748 23.54807 -0.000000      0.000000 
1 1 1 2  0  88  o 242.3347 11.91925 4.121478       0.3966430     4.409019       0.5648335     3.841734       0.5571217     248.8627 16.60671 231.6028 17.65679 0.000000       0.000000 
1 1 1 2  0  89  o 142.9068 12.60561 1.457152       0.2442935     1.448975       0.3471793     1.465171       0.3438117     139.6674 18.99462 140.6776 18.60628 0.000000       0.000000 
1 1 1 2  0  90  o 78.45026 16.52751 0.4834782      0.1575881     0.4775958      0.2263841     0.4890085      0.2195017     71.61498 25.21961 73.42342 24.33931 0.000000       0.000000 
1 1 1 2  0  91  o 82.91773 16.14629 0.5321255      0.1647639     0.5391042      0.2294554     0.5246968      0.2367379     77.97249 24.30951 75.82616 25.35349 -0.000000      0.000000 
1 1 1 2  0  92  o 128.3638 13.08051 1.185879       0.2263312     1.249719       0.3179010     1.120257       0.3223057     129.1077 19.04944 120.5835 21.35534 -0.000000      0.000000 
1 1 1 2  0  93  o 82.00076 16.69709 0.5252639      0.1672729     0.5128107      0.2345546     0.5381523      0.2386169     74.69115 25.37757 77.04927 25.28775 -0.000000      0.000000 
1 1 1 2  0  94  o 41.50688 19.69848 0.1787734      0.1284472     0.2675551      0.1831242     0.9279074E-01  0.1802143     50.64238 23.57074 34.83836 20.89392 0.000000       0.000000 
1 1 1 2  0  95  o 142.7366 13.13314 1.459487       0.2538084     1.639083       0.3572864     1.276529       0.3606153     149.2704 18.03288 128.6821 22.30363 -0.000000      0.000000 
1 1 1 2  0  96  o 95.30939 18.73465 0.7086812      0.2193920     0.5726001      0.3799975     0.7767221      0.2686995     72.59087 33.94575 97.55323 22.96286 0.000000       0.000000 
1 1 1 2  0  97  o 127.1939 16.11419 1.191247       0.2706473     1.143277       0.3304043     1.289077       0.4718449     121.4231 21.79546 122.1180 32.38696 -0.000000      0.000000 
1 1 1 2  0  98  o 19.76493 13.73516 -0.1137389     0.1322196     0.000000       0.000000      -0.1137389     0.1322196     19.76493 13.73516 19.76493 13.73516 0.000000       0.000000 
1 1 1 2  0  99  o 166.4730 29.43197 2.211749       0.6134494     2.211749       0.6134494     0.000000       0.000000      166.4730 29.43197 166.4730 29.43197 -0.000000      0.000000 
1 1 1 2  0  100 o 71.06861 27.56956 0.5017422      0.2574417     1.125075       0.3740625     -0.5920995E-01 0.3548518     116.4962 26.69978 38.00566 25.26758 0.000000       0.000000 
1 1 1 2  0  101 o 27.70041 17.53262 0.2729809E-01  0.1441904     0.1469324      0.2560059     -0.2828644E-01 0.1745014     41.47960 24.88985 27.16984 17.94831 0.000000       0.000000 
1 1 1 2  0  102 o 53.31812 26.39523 0.3150652      0.2339153     0.1208947      0.3221121     0.5317116      0.3402445     42.70097 26.67620 68.63818 32.11848 -0.000000      0.000000 
1 1 1 2  0  103 o 71.28698 24.14114 0.4782300      0.2127421     0.4566060      0.2596696     0.5223763      0.3710229     65.31290 28.08094 66.36440 33.17682 -0.000000      0.000000 
1 1 1 2  0  104 o 132.9658 16.96748 1.333644       0.2976739     1.237607       0.3623959     1.532839       0.5219190     123.0674 23.91975 129.2017 33.85826 -0.000000      0.000000 
1 1 1 2  0  105 o 27.70964 17.75405 0.2134951E-01  0.1533373     -0.3325891     0.2700321     0.1897924      0.1862850     25.16420 17.90636 41.55482 22.72940 0.000000       0.000000 
1 1 1 2  0  106 o 56.74440 22.88413 0.3314404      0.1749168     0.3756122      0.2401163     0.2814965      0.2553230     57.40131 26.96780 49.07245 26.68694 -0.000000      0.000000 
1 1 1 2  0  107 o 61.07676 22.65870 0.3701113      0.1774833     0.3376324      0.2494117     0.4034306      0.2526175     53.43145 27.09298 59.16786 27.67657 -0.000000      0.000000 
1 1 1 2  0  108 o 96.87870 21.33000 0.7856507      0.2496594     0.6050746      0.4257825     0.8802637      0.3082007     67.47736 35.11236 98.99474 26.09659 -0.000000      0.000000 
1 1 1 2  0  109 f 21.19844 14.49948 -0.7208873E-01 0.1339739     0.1025784      0.1655533     -0.4035338     0.2280542     33.54446 20.07218 20.82497 15.06509 0.000000       0.000000 
1 1 1 2  0  110 o 34.51783 20.09627 0.1195219      0.1581066     -0.5544693E-01 0.2639297     0.2174553      0.1974573     31.53709 21.21871 43.46580 23.52214 -0.000000      0.000000 
1 1 1 2  0  111 o 41.64090 22.21600 0.1971862      0.1737995     0.2966692      0.2172530     0.2034399E-01  0.2896574     50.27070 25.33191 35.62304 23.39332 0.000000       0.000000 
1 1 1 2  0  112 o 44.45702 23.00285 0.2270709      0.1819521     0.2170229      0.2258603     0.2456484      0.3071100     43.63776 24.59078 46.67463 27.61997 0.000000       0.000000 
1 1 1 2  0  113 o 49.67724 23.80644 0.2806725      0.1880712     0.3321978      0.2323926     0.1828758      0.3201649     53.04268 26.30065 43.68436 26.98107 0.000000       0.000000 
1 1 1 2  0  114 o 34.00433 20.15923 0.1109663      0.1641345     0.1409603      0.2045158     0.5668619E-01  0.2751244     37.63351 22.41298 36.23732 23.43193 0.000000       0.000000 
1 1 1 2  0  115 o 28.83720 18.05078 0.5184421E-01  0.1482111     -0.3649512E-01 0.2438352     0.1036062      0.1866487     30.75751 20.60335 34.30612 20.91065 -0.000000      0.000000 
1 1 1 2  0  116 o 47.35701 22.91808 0.2602741      0.1747272     0.4548896      0.2915789     0.1512324      0.2182547     59.87400 29.49859 38.23628 22.96254 -0.000000      0.000000 
1 1 1 2  0  117 o 39.85405 25.16468 0.1502262      0.2950759     0.000000       0.000000      0.1502262      0.2950759     39.85405 25.16468 39.85405 25.16468 -0.000000      0.000000 
1 1 1 2  0  118 o 53.19938 27.39268 0.3809804      0.2572141     0.9229992E-01  0.3553511     0.6986840      0.3727864     38.57389 25.52503 70.07684 33.52422 0.000000       0.000000 
1 1 1 2  0  119 o 36.52507 23.83475 0.1131557      0.2937644     0.000000       0.000000      0.1131557      0.2937644     36.52507 23.83475 36.52507 23.83475 0.000000       0.000000 
1 1 1 2  0  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  0   o 799.0288 18.50110 44.22716       2.038787      44.62007       2.887382      43.83648       2.879195      801.2421 26.16090 794.1201 26.32265 0.000000       0.000000 
1 1 1 2  1  1   o 1558.475 20.82085 168.4357       4.480601      170.9302       5.559077      163.8107       7.569617      1568.167 25.67275 1530.304 35.82270 37.86340       44.07217 
1 1 1 2  1  2   o 1862.343 20.37359 240.4764       5.239203      237.0157       7.284256      244.1855       7.541123      1845.106 28.59077 1872.490 29.16612 -27.38330      40.84232 
1 1 1 2  1  3   o 214.1759 11.07672 3.179456       0.3264611     3.191918       0.4617521     3.167001       0.4616194     214.1727 15.72365 213.3232 15.78344 0.8494415      22.27892 
1 1 1 2  1  4   o 1750.804 19.48574 212.4573       4.710777      215.8894       6.780457      209.2549       6.549627      1761.315 27.87943 1734.298 27.34984 27.01660       39.05479 
1 1 1 2  1  5   o 707.3689 12.69444 34.60329       1.239931      34.52188       1.751288      34.68512       1.755775      705.9522 17.96570 707.6187 17.96932 -1.666504      25.40990 
1 1 1 2  1  6   o 329.0691 11.28646 7.485993       0.5128412     7.755312       0.7300633     7.223639       0.7205639     334.7267 15.79545 322.6227 16.22661 12.10397       22.64507 
1 1 1 2  1  7   o 2203.873 23.11994 337.1765       7.035765      334.5786       9.862048      339.8692       10.04050      2189.457 32.62066 2206.454 32.95509 -16.99707      46.36966 
1 1 1 2  1  8   f 419.3489 10.40363 12.15461       0.6024184     13.04132       0.9577754     11.57421       0.7748901     434.0485 15.98039 409.0463 13.71923 25.00217       21.06158 
1 1 1 2  1  9   o 1714.866 15.72200 203.5491       3.722855      197.9583       5.127827      209.7804       5.413613      1689.110 21.98556 1738.592 22.55026 -49.48193      31.49411 
1 1 1 2  1  10  f 637.2233 8.803261 28.05672       0.7745924     26.51285       1.076923      29.71153       1.114944      619.1853 12.59581 655.4965 12.31813 -36.31122      17.61791 
1 1 1 2  1  11  o 660.3041 8.813493 30.12606       0.8035817     30.62138       1.144840      29.64501       1.128215      665.4454 12.45932 654.7488 12.47898 10.69659       17.63405 
1 1 1 2  1  12  o 1331.715 11.58800 122.6110       2.130875      123.5221       3.034192      121.7243       2.993248      1335.720 16.45091 1325.987 16.34803 9.732788       23.19247 
1 1 1 2  1  13  o 446.1539 8.199150 13.75236       0.5051165     13.55809       0.7123129     13.94886       0.7163897     442.8358 11.64904 449.1773 11.55031 -6.341522      16.40456 
1 1 1 2  1  14  o 539.5847 8.464829 20.11625       0.6306897     19.68006       0.8860827     20.56415       0.8978946     533.5024 12.02818 545.3611 11.92348 -11.85870      16.93655 
1 1 1 2  1  15  o 649.7781 8.730423 29.17283       0.7833184     29.67609       1.112254      28.67759       1.103359      655.1064 12.29572 643.9819 12.40810 11.12457       17.46842 
1 1 1 2  1  16  o 886.4805 10.24823 54.31450       1.254458      54.05276       1.654839      54.66810       1.923451      883.9839 13.55730 888.7189 15.67395 -4.734985      20.72374 
1 1 1 2  1  17  o 265.5552 8.999787 4.872816       0.3300084     4.704441       0.4656561     5.042713       0.4677557     260.8112 12.93008 270.0388 12.54455 -9.227661      18.01534 
1 1 1 2  1  18  o 494.0527 10.43895 16.87107       0.7121446     16.07246       1.110811      17.42836       0.9279309     481.7964 16.69700 501.9646 13.38766 -20.16821      21.40138 
1 1 1 2  1  19  f 281.5583 11.03615 5.480124       0.4290657     5.048168       0.6000942     5.931914       0.6137162     269.5563 16.19765 292.3716 15.25465 -22.81537      22.25013 
1 1 1 2  1  20  o 583.0123 10.72608 23.49522       0.8634887     24.60482       1.384868      22.78946       1.104474      596.1033 16.82476 573.9545 13.93606 22.14880       21.84689 
1 1 1 2  1  21  o 588.8603 9.782105 23.96417       0.7953945     24.16701       1.129029      23.76431       1.120732      591.0548 13.83373 586.1085 13.84796 4.946350       19.57391 
1 1 1 2  1  22  o 842.0797 9.998041 49.00769       1.162535      49.34531       1.543545      48.56513       1.767205      844.6464 13.23447 837.6901 15.27797 6.956299       20.21305 
1 1 1 2  1  23  o 1896.588 14.49365 248.8860       3.795674      254.0953       5.486979      244.1057       5.256240      1914.144 20.75968 1876.328 20.28750 37.81604       29.02666 
1 1 1 2  1  24  o 522.5053 8.316355 18.86261       0.6000144     18.97101       0.8501437     18.75501       0.8469621     523.8168 11.75371 520.8247 11.77699 2.992065       16.63873 
1 1 1 2  1  25  o 482.9879 8.214149 16.11707       0.5478187     16.28352       0.7763992     15.95203       0.7730768     485.3069 11.58592 480.3377 11.65569 4.969177       16.43438 
1 1 1 2  1  26  o 872.4383 9.449662 52.59966       1.138384      52.44264       1.607409      52.75766       1.612440      870.7282 13.36922 873.3393 13.37096 -2.611084      18.90816 
1 1 1 2  1  27  o 245.8019 7.737923 4.173989       0.2626320     4.095441       0.3709800     4.252908       0.3718570     243.3990 11.03808 248.0393 10.85719 -4.640259      15.48283 
1 1 1 2  1  28  o 726.7896 8.914074 36.49965       0.8945876     36.76170       1.268993      36.24075       1.261318      729.0894 12.60493 723.9036 12.61845 5.185730       17.83562 
1 1 1 2  1  29  o 349.4153 7.906108 8.434879       0.3814543     8.464714       0.5398806     8.405139       0.5390362     349.9174 11.17363 348.6829 11.19565 1.234467       15.81748 
1 1 1 2  1  30  o 333.0014 7.865242 7.661003       0.3616564     7.656749       0.5115677     7.665254       0.5113512     332.7992 11.13225 332.9844 11.12135 -0.1852112     15.73567 
1 1 1 2  1  31  f 490.9557 8.203396 16.65346       0.5561270     16.58476       0.7858619     16.72238       0.7871041     489.7650 11.62039 491.7947 11.59072 -2.029755      16.41274 
1 1 1 2  1  32  o 686.2120 8.788719 32.53751       0.8327638     32.53974       1.178172      32.53527       1.177240      685.9507 12.43878 685.9045 12.42978 0.4620361E-01  17.58473 
1 1 1 2  1  33  o 969.1573 9.853252 64.91582       1.318596      64.61428       1.860080      65.22042       1.869509      966.3982 13.93919 970.9197 13.94461 -4.521545      19.71682 
1 1 1 2  1  34  o 873.7068 9.459778 52.75566       1.141260      52.32552       1.606974      53.19340       1.621090      869.7076 13.38128 876.8896 13.38826 -7.182007      18.92892 
1 1 1 2  1  35  o 444.6568 8.098184 13.66096       0.4972222     13.52177       0.7018279     13.80123       0.7045367     442.2187 11.49359 446.7694 11.42042 -4.550720      16.20273 
1 1 1 2  1  36  o 427.2924 8.063125 12.61501       0.4757366     12.56550       0.6723092     12.66467       0.6732783     426.2906 11.42156 427.9710 11.39311 -1.680420      16.13242 
1 1 1 2  1  37  o 470.7742 8.189301 15.31382       0.5323503     15.41455       0.7540020     15.21369       0.7517173     472.1308 11.56571 469.0421 11.60659 3.088745       16.38531 
1 1 1 2  1  38  o 260.9199 9.005507 4.704983       0.3244542     4.827514       0.4596004     4.583252       0.4580982     264.1688 12.59972 257.0610 12.94731 7.107788       18.06615 
1 1 1 2  1  39  o 384.4980 11.29150 10.22361       0.5994927     10.18322       0.8454978     10.26444       0.8501425     383.4256 15.96958 384.9497 15.99373 -1.524048      22.60148 
1 1 1 2  1  40  o 273.1077 9.894319 5.156304       0.3731280     5.219051       0.4820205     5.062490       0.5893912     274.6489 12.71012 269.8727 15.88644 4.776184       20.34517 
1 1 1 2  1  41  o 223.5139 9.823443 3.453771       0.3031841     3.360938       0.4799092     3.515431       0.3911196     219.6815 15.92901 225.0496 12.63730 -5.368118      20.33309 
1 1 1 2  1  42  o 750.5645 10.44223 38.95527       1.082229      38.23119       1.520606      39.69852       1.540596      742.9647 14.82213 757.1019 14.73657 -14.13721      20.90124 
1 1 1 2  1  43  o 352.2988 8.489601 8.578361       0.4129870     8.521993       0.5460193     8.653720       0.6313280     350.9937 11.26603 353.5883 12.93061 -2.594635      17.15005 
1 1 1 2  1  44  o 434.5419 8.113647 13.05052       0.4868395     13.04205       0.6885275     13.05899       0.6884626     434.1720 11.48475 434.4546 11.47620 -0.2825317     16.23584 
1 1 1 2  1  45  o 299.1086 7.869121 6.183334       0.3250073     6.096313       0.4590278     6.270813       0.4602340     296.8365 11.19912 301.0620 11.07095 -4.225586      15.74757 
1 1 1 2  1  46  o 349.7217 7.961398 8.453770       0.3844589     8.603456       0.5450507     8.305549       0.5423732     352.6073 11.19458 346.4387 11.33793 6.168640       15.93321 
1 1 1 2  1  47  o 398.6882 8.047938 10.98800       0.4430534     10.94401       0.6263027     11.03207       0.6268418     397.6383 11.40665 399.2380 11.37072 -1.599731      16.10605 
1 1 1 2  1  48  o 345.5680 7.959711 8.255570       0.3798121     8.205685       0.5368616     8.305559       0.5374096     344.2929 11.29266 346.3864 11.23587 -2.093536      15.93013 
1 1 1 2  1  49  o 293.7459 7.885795 5.965621       0.3198566     5.937337       0.4522646     5.993925       0.4524266     292.8430 11.18458 294.2388 11.13551 -1.395813      15.78273 
1 1 1 2  1  50  o 153.3920 7.843273 1.631180       0.1655706     1.581970       0.2338991     1.680604       0.2344061     150.7125 11.32209 155.4024 10.99475 -4.689941      15.78209 
1 1 1 2  1  51  o 319.8670 7.933075 7.076077       0.3503878     7.024699       0.4950420     7.127656       0.4960058     318.4267 11.25886 320.7576 11.19881 -2.330902      15.88003 
1 1 1 2  1  52  o 176.8534 7.848969 2.163521       0.1916744     2.137129       0.2708846     2.189984       0.2712527     175.2386 11.25432 177.4164 11.12876 -2.177826      15.82748 
1 1 1 2  1  53  o 478.6783 8.266769 15.85683       0.5464086     15.55294       0.7692273     16.16633       0.7762981     473.4995 11.76514 482.7696 11.64530 -9.270111      16.55390 
1 1 1 2  1  54  o 202.1700 7.854330 2.828613       0.2192622     2.851838       0.3100196     2.805368       0.3101477     202.4541 11.13259 200.7795 11.23198 1.674637       15.81429 
1 1 1 2  1  55  f 204.0759 7.865765 2.882941       0.2216515     2.845195       0.3130543     2.920883       0.3138723     202.1477 11.26005 204.8454 11.13844 -2.697678      15.83835 
1 1 1 2  1  56  o 181.6524 7.872014 2.284808       0.1974536     2.256987       0.2788903     2.312770       0.2795942     179.9215 11.28276 182.1572 11.16980 -2.235748      15.87656 
1 1 1 2  1  57  f 61.79521 8.985029 0.2702115      0.7442179E-01 0.2668352      0.1050636     0.2736117      0.1054341     60.77555 12.91750 61.57000 12.81821 -0.7944489     18.19803 
1 1 1 2  1  58  o 78.28511 9.839952 0.4320860      0.1040176     0.4322530      0.1464033     0.4319158      0.1478131     77.49419 14.20531 77.43622 14.35242 0.5797577E-01  20.19363 
1 1 1 2  1  59  o 133.6397 10.23910 1.248492       0.1875078     1.104386       0.2946546     1.346565       0.2430784     124.0604 17.70259 138.3417 12.87264 -14.28130      21.88804 
1 1 1 2  1  60  o 278.9440 9.223453 5.404428       0.3552618     5.415884       0.5026084     5.392990       0.5022239     278.3996 13.07444 277.8060 13.09236 0.5936584      18.50272 
1 1 1 2  1  61  o 127.9024 9.422660 1.143060       0.1652422     1.196944       0.2342528     1.089693       0.2331268     130.1696 13.21605 123.9993 13.85226 6.170349       19.14547 
1 1 1 2  1  62  o 339.1881 10.24764 8.011329       0.4799571     8.257319       0.7602420     7.848311       0.6188833     342.2280 16.08786 334.7124 13.39057 7.515594       20.93148 
1 1 1 2  1  63  o 223.3728 9.255920 3.470423       0.2854880     3.559372       0.4037794     3.381507       0.4037026     225.0387 13.05022 219.2190 13.40097 5.819748       18.70545 
1 1 1 2  1  64  o 220.8471 8.007686 3.386961       0.2441950     3.487420       0.3457872     3.287016       0.3449022     223.1960 11.25605 216.5860 11.57452 6.609985       16.14522 
1 1 1 2  1  65  o 317.9121 8.088445 7.020838       0.3550667     6.861396       0.5007665     7.182041       0.5035253     313.2778 11.57625 320.5831 11.37477 -7.305359      16.22944 
1 1 1 2  1  66  o 176.7087 8.075788 2.169105       0.1970520     2.134571       0.2783332     2.203808       0.2790154     174.3549 11.62762 177.2137 11.46373 -2.858749      16.32845 
1 1 1 2  1  67  o 496.4889 8.454541 17.13058       0.5796123     17.14261       0.8194639     17.11854       0.8199276     495.0327 11.98831 494.6766 12.00373 0.3560791      16.96494 
1 1 1 2  1  68  o 133.7531 8.263165 1.247339       0.1518644     1.272850       0.2146480     1.221770       0.2148896     134.4736 11.67572 131.6682 11.94958 2.805405       16.70673 
1 1 1 2  1  69  o 188.1675 8.075509 2.458508       0.2098227     2.524714       0.2969590     2.392503       0.2965098     189.8246 11.38191 184.6957 11.68663 5.128906       16.31334 
1 1 1 2  1  70  o 323.0215 8.159930 7.244693       0.3639618     7.429036       0.5159206     7.062057       0.5135273     326.2167 11.45351 317.9826 11.69559 8.234100       16.36978 
1 1 1 2  1  71  o 279.4640 8.126289 5.421340       0.3135856     5.491193       0.4437627     5.351664       0.4431918     280.5131 11.45670 276.8913 11.59163 3.621796       16.29791 
1 1 1 2  1  72  o 333.4756 8.185966 7.719008       0.3769398     7.861104       0.5340865     7.577986       0.5320659     335.6524 11.52349 329.5010 11.69421 6.151428       16.41783 
1 1 1 2  1  73  o 139.8236 8.344024 1.362019       0.1603652     1.323604       0.2269149     1.400351       0.2266665     137.1486 12.10638 141.1765 11.73383 -4.027893      16.85964 
1 1 1 2  1  74  o 215.2350 8.152805 3.215231       0.2423025     3.255614       0.3432340     3.175113       0.3421037     215.7124 11.56544 212.9939 11.67646 2.718567       16.43470 
1 1 1 2  1  75  o 282.3219 8.170534 5.532172       0.3185173     5.562640       0.4508613     5.501814       0.4500427     282.3515 11.56418 280.7926 11.60727 1.558960       16.38472 
1 1 1 2  1  76  o 189.2136 8.193063 2.485194       0.2140605     2.619111       0.3039063     2.353335       0.3015618     193.4253 11.42934 183.1856 11.98806 10.23976       16.56332 
1 1 1 2  1  77  o 226.0744 8.172041 3.548166       0.2551056     3.568888       0.3613964     3.527586       0.3601544     225.8093 11.63004 224.4881 11.65883 1.321167       16.46773 
1 1 1 2  1  78  o 94.02320 10.37480 0.6232922      0.1324523     0.6613896      0.1887723     0.5863482      0.1858926     95.93591 14.72018 90.02282 15.51462 5.913086       21.38661 
1 1 1 2  1  79  o 240.9299 10.43439 4.047751       0.3471330     4.217185       0.5522770     3.937095       0.4463181     243.5947 16.51677 236.3811 13.73314 7.213638       21.48029 
1 1 1 2  1  80  o 82.91064 11.10153 0.4884299      0.1239050     0.4814735      0.1782394     0.4949352      0.1723645     81.07594 16.48273 82.40628 15.72146 -1.330338      22.77817 
1 1 1 2  1  81  o 213.2769 9.536817 3.169351       0.2808570     3.274136       0.3987046     3.066141       0.3956962     215.4028 13.47256 208.2994 13.83609 7.103333       19.31184 
1 1 1 2  1  82  o 119.8323 11.15241 1.012993       0.1824173     1.236265       0.2864693     0.8607104      0.2365837     131.0774 16.17031 109.0399 16.20595 22.03754       22.89349 
1 1 1 2  1  83  o 216.5773 9.594477 3.272654       0.2869275     3.332606       0.4042458     3.211785       0.4073252     217.0294 13.55718 212.8999 13.93252 4.129425       19.43997 
1 1 1 2  1  84  o 218.6273 8.301680 3.327461       0.2506157     3.467452       0.3552210     3.188720       0.3536325     222.0117 11.62781 212.7155 12.08959 9.296173       16.77392 
1 1 1 2  1  85  o 67.63894 10.56621 0.3275756      0.9545808E-01 0.2624884      0.1344368     0.3937612      0.1355665     59.67896 15.99072 73.51326 13.86354 -13.83430      21.16367 
1 1 1 2  1  86  f 293.0098 8.373457 5.980828       0.3387855     6.230431       0.4809724     5.735043       0.4772790     297.8015 11.69648 285.5421 12.10498 12.25940       16.83266 
1 1 1 2  1  87  o 204.8571 8.424740 2.924250       0.2383118     3.020591       0.3374835     2.828432       0.3365658     206.9545 11.85914 200.1043 12.23964 6.850235       17.04254 
1 1 1 2  1  88  o 195.7721 8.439916 2.671148       0.2281534     2.731680       0.3232975     2.611093       0.3220216     196.7104 11.95922 192.2192 12.19566 4.491241       17.08090 
1 1 1 2  1  89  o 39.69662 12.65805 0.1092576      0.7822552E-01 0.7056934E-01  0.1115064     0.1467499      0.1097693     38.38074 14.82636 46.08527 15.02251 -7.704525      21.10679 
1 1 1 2  1  90  o 135.5060 8.868611 1.286793       0.1650250     1.164932       0.2337631     1.407859       0.2329998     127.6524 13.46516 140.8950 12.09350 -13.24259      18.09871 
1 1 1 2  1  91  o 124.1956 9.760593 1.085585       0.1660379     1.197367       0.2556795     1.004067       0.2183421     129.0188 14.60922 118.3445 13.60912 10.67431       19.96591 
1 1 1 2  1  92  o 151.7402 9.553949 1.616530       0.1991583     1.911521       0.3070823     1.402375       0.2616469     163.6784 13.71344 140.0369 13.70691 23.64151       19.38911 
1 1 1 2  1  93  o 249.7026 9.143544 4.357056       0.3152648     4.448455       0.4836264     4.289516       0.4157384     249.9051 14.07240 246.6048 12.20902 3.300262       18.63042 
1 1 1 2  1  94  o 43.63651 14.23948 0.1313516      0.9861457E-01 0.1648962      0.1535648     0.1078105      0.1286451     50.37345 17.75371 43.40403 16.11310 6.969418       23.97553 
1 1 1 2  1  95  o 116.9226 10.24612 0.9657610      0.1637541     0.9091013      0.2510781     1.007704       0.2160220     111.2974 16.86600 118.5129 13.43816 -7.215584      21.56493 
1 1 1 2  1  96  o 73.55560 12.65007 0.3929169      0.1238509     0.3681296      0.1909504     0.4109168      0.1627203     69.86618 19.20026 74.27180 16.31267 -4.405624      25.19431 
1 1 1 2  1  97  o 50.27067 14.68891 0.1844856      0.1083651     0.1699648      0.1684342     0.1947411      0.1415507     51.56926 18.54835 52.44251 17.05744 -0.8732491     25.19916 
1 1 1 2  1  98  o 52.79706 16.46324 0.2019110      0.1330151     -0.3869561E-02 0.2060302     0.3489851      0.1741793     43.29179 18.73701 67.93517 18.20089 -24.64338      26.12179 
1 1 1 2  1  99  o 30.89787 14.13068 -0.8203523E-01 0.1350628     0.1348538      0.2634287     -0.1593816     0.1573129     55.21349 22.31850 30.58218 14.40625 24.63131       26.56418 
1 1 1 2  1  100 o 71.94353 17.30164 0.3944208      0.1697703     0.3312314      0.2572744     0.4431587      0.2259474     66.87926 23.01517 75.33166 20.95704 -8.452400      31.12709 
1 1 1 2  1  101 o 93.42895 16.15039 0.6557985      0.2008168     0.4680291      0.2806652     0.8527586      0.2874520     76.40009 23.92932 104.4212 20.66759 -28.02106      31.61901 
1 1 1 2  1  102 o 81.92219 15.29870 0.5062146      0.1666946     0.4086043      0.2116162     0.6658154      0.2705943     71.73280 20.39728 90.83584 21.84202 -19.10303      29.88517 
1 1 1 2  1  103 o 88.29657 12.87238 0.5758953      0.1523267     0.6803067      0.2025160     0.4398599      0.2311593     94.49992 16.09690 73.48930 21.44797 21.01062       26.81652 
1 1 1 2  1  104 o 80.57588 14.80636 0.4943249      0.1586664     0.3307704      0.1930836     0.8344372      0.2784361     64.22157 19.80406 101.4444 20.58104 -37.22278      28.56186 
1 1 1 2  1  105 o 88.85766 13.99784 0.5970734      0.1660657     0.5408463      0.2018698     0.7147796      0.2920778     82.09460 18.27785 91.11301 23.16449 -9.018417      29.50717 
1 1 1 2  1  106 o 108.1983 12.90069 0.8734376      0.1889396     0.8945278      0.2299729     0.8296382      0.3314135     107.4764 15.98273 96.29681 24.77992 11.17959       29.48716 
1 1 1 2  1  107 o 30.90552 13.75687 -0.2558083E-01 0.1183257     -0.6428932E-01 0.1442950     0.5388395E-01  0.2067452     32.13042 14.65994 44.25986 18.95796 -12.12944      23.96493 
1 1 1 2  1  108 o 60.87210 16.42503 0.2972893      0.1412511     0.3216686      0.1716676     0.2461843      0.2485474     62.50819 18.54943 57.33297 22.13888 5.175217       28.88272 
1 1 1 2  1  109 o 51.20202 16.30897 0.2055499      0.1298849     0.1619917      0.1574353     0.2983811      0.2298338     47.91665 17.81787 60.23912 21.66689 -12.32248      28.05229 
1 1 1 2  1  110 o 34.42969 14.26560 0.4029459E-01  0.1109987     0.5475634E-01  0.1358450     0.1124274E-01  0.1925396     38.06306 15.77723 40.64790 17.84316 -2.584843      23.81804 
1 1 1 2  1  111 f 46.07895 15.45702 0.1599786      0.1159659     0.1275204      0.1502325     0.2078315      0.1824132     44.70361 17.22610 52.49343 19.23971 -7.789829      25.82450 
1 1 1 2  1  112 o 44.17014 15.61029 0.1405208      0.1188019     -0.2835557E-01 0.1555901     0.3766426      0.1839779     35.09089 15.68594 67.12762 18.99466 -32.03673      24.63424 
1 1 1 2  1  113 o 51.42941 15.44513 0.2083921      0.1184927     0.1946180      0.1725809     0.2206760      0.1629790     51.07759 18.71504 53.02571 18.31413 -1.948116      26.18511 
1 1 1 2  1  114 o 41.39641 15.02247 0.1187441      0.1108134     0.5846450E-01  0.1630527     0.1704832      0.1510611     40.58030 17.08524 48.12043 17.52788 -7.540134      24.47717 
1 1 1 2  1  115 f 51.32592 15.37107 0.2107018      0.1174799     0.3072981      0.1752026     0.1317895      0.1583553     60.19960 18.91463 45.02914 17.59176 15.17046       25.83085 
1 1 1 2  1  116 o 54.41689 16.86625 0.2463704      0.1398449     0.1952039      0.2123579     0.2855510      0.1858279     51.18309 20.25582 57.46449 19.56520 -6.281399      28.16195 
1 1 1 2  1  117 o 40.73155 17.07905 0.8221476E-01  0.1618588     0.8167168E-01  0.3000761     0.8243760E-01  0.1922190     48.14900 21.63470 42.68940 18.28240 5.459599       28.32502 
1 1 1 2  1  118 o 31.63388 14.54235 -0.4804969E-01 0.1456104     -0.2250947     0.2772592     0.1937905E-01  0.1711065     36.87469 17.83520 37.18379 16.54787 -0.3091049     24.32953 
1 1 1 2  1  119 o 31.30854 15.05503 -0.1583966     0.1907228     0.000000       0.000000      -0.1583966     0.1907228     ?        ?        31.30854 15.05503 0.000000       15.05503 
1 1 1 2  1  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  137 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  0   o 1184.979 21.88033 97.28292       3.577407      97.09107       5.024650      97.48013       5.094508      1181.790 30.83872 1184.063 31.20844 -0.000000      0.000000 
1 1 1 2  2  1   o 613.1485 14.20031 26.00984       1.202268      24.96251       1.455385      28.26027       2.133387      600.3492 17.55643 637.8665 24.22154 -37.51733      29.91507 
1 1 1 2  2  2   o 1569.509 20.95487 170.8401       4.541368      178.2395       5.786761      158.9757       7.327538      1601.126 26.17412 1507.880 35.19276 93.24622       43.85904 
1 1 1 2  2  3   o 2198.368 23.05445 335.4851       6.998310      332.8663       9.784552      338.2281       10.01363      2183.964 32.44572 2201.117 32.94659 -17.15283      46.24070 
1 1 1 2  2  4   o 1585.582 18.21633 174.1659       3.988296      175.2495       5.675316      173.1085       5.605929      1587.760 25.88614 1578.098 25.72621 9.661987       36.49561 
1 1 1 2  2  5   o 651.5143 12.47309 29.35279       1.122112      29.91185       1.596396      28.80685       1.577583      657.1708 17.59238 644.9037 17.71574 12.26709       24.96676 
1 1 1 2  2  6   o 272.1315 11.14939 5.119413       0.4189555     5.091061       0.5921056     5.147840       0.5928802     270.7339 15.90857 272.2514 15.83944 -1.517548      22.44929 
1 1 1 2  2  7   o 301.1766 11.23575 6.270663       0.4672626     6.220073       0.6599107     6.321530       0.6617113     299.3340 16.02393 301.7800 15.93612 -2.445984      22.59926 
1 1 1 2  2  8   o 430.4443 11.60104 12.80980       0.6895282     12.67300       0.9726715     12.94800       0.9776276     427.8400 16.46444 432.4638 16.37140 -4.623840      23.21853 
1 1 1 2  2  9   o 347.7671 11.34081 8.361017       0.5445912     8.294921       0.7704270     8.427025       0.7699100     346.1566 16.11836 348.9100 15.98043 -2.753448      22.69748 
1 1 1 2  2  10  o 304.0321 11.24828 6.390164       0.4722193     6.420240       0.6694078     6.360373       0.6662415     304.1269 15.99658 302.7018 15.99644 1.425110       22.62248 
1 1 1 2  2  11  f 177.9092 11.11601 2.196563       0.2717087     2.189187       0.3842153     2.203943       0.3842929     177.1334 15.87706 177.7402 15.82359 -0.6068115     22.41578 
1 1 1 2  2  12  o 322.0947 15.98192 7.181526       0.7108051     7.149415       1.005554      7.213594       1.004907      320.1270 22.89930 321.5850 22.77777 -1.457947      32.29868 
1 1 1 2  2  13  o 163.5028 15.83379 1.867679       0.3529987     1.998680       0.5008743     1.738398       0.4975732     168.3022 22.08583 156.4796 23.77649 11.82262       32.45159 
1 1 1 2  2  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  15  o 293.4052 15.93415 5.976560       0.6431364     6.514720       0.9161151     5.453593       0.9030892     305.6591 21.84980 279.2656 23.64134 26.39349       32.19203 
1 1 1 2  2  16  o 1134.909 15.17188 89.13776       2.377597      98.73174       5.085423      86.45403       2.689662      1189.968 30.94952 1117.269 17.43420 72.69934       35.52216 
1 1 1 2  2  17  o 505.9189 9.752096 17.68874       0.6812662     16.76176       0.9490377     18.67428       0.9785519     492.2301 13.96296 519.5774 13.63941 -27.34729      19.51916 
1 1 1 2  2  18  o 188.0522 9.223285 2.443699       0.2394981     2.571132       0.3393963     2.317304       0.3380109     192.3862 12.84993 182.5352 13.50642 9.850998       18.64254 
1 1 1 2  2  19  o 196.0925 8.443421 2.656753       0.2286217     2.747839       0.3033656     2.537021       0.3478127     199.0647 11.08047 191.0615 13.26582 8.003174       17.28464 
1 1 1 2  2  20  o 1132.981 10.71105 88.72994       1.675686      90.00475       2.394857      87.50719       2.345469      1140.401 15.20842 1124.485 15.10560 15.91577       21.43537 
1 1 1 2  2  21  o 966.4787 10.00319 64.55717       1.334962      63.87048       1.880753      65.25443       1.895173      960.8211 14.17592 971.1811 14.13223 -10.35999      20.01690 
1 1 1 2  2  22  o 443.4028 8.352118 13.58379       0.5113674     13.16453       0.7197329     14.01117       0.7266825     436.3407 11.94559 450.1672 11.69049 -13.82654      16.71421 
1 1 1 2  2  23  o 375.2321 8.257678 9.727870       0.4278543     9.371534       0.6047714     10.08493       0.6053838     368.1543 11.89661 381.9294 11.47915 -13.77512      16.53180 
1 1 1 2  2  24  o 672.2510 8.944538 31.22737       0.8302853     29.93178       1.160535      32.58584       1.188361      657.8707 12.77555 686.4398 12.53741 -28.56909      17.89976 
1 1 1 2  2  25  o 1007.824 10.12972 70.20152       1.409679      70.16174       1.993229      70.24134       1.993946      1006.994 14.33482 1007.566 14.33184 -0.5713501     20.27039 
1 1 1 2  2  26  o 122.0677 7.906977 1.033740       0.1325588     1.091237       0.1876912     0.9765184      0.1872425     125.1625 10.97076 118.2775 11.61456 6.885017       15.97672 
1 1 1 2  2  27  o 809.6880 9.477166 45.30617       1.059581      46.81848       1.523208      43.88824       1.474907      822.6982 13.40851 796.5369 13.40975 26.16132       18.96338 
1 1 1 2  2  28  o 549.8588 8.552687 20.89049       0.6493692     21.15669       0.9197392     20.62590       0.9169604     553.1393 12.04182 546.1483 12.15912 6.991028       17.11285 
1 1 1 2  2  29  o 716.9784 8.998467 35.52190       0.8908665     36.16314       1.265537      34.89201       1.254290      723.1130 12.67449 710.2797 12.78882 12.83331       18.00546 
1 1 1 2  2  30  o 573.0111 8.596777 22.68709       0.6802000     23.22584       0.9656591     22.15655       0.9582796     579.5518 12.06684 566.0393 12.26049 13.51245       17.20256 
1 1 1 2  2  31  o 234.8647 7.893811 3.811001       0.2560014     4.047461       0.3626974     3.576245       0.3613876     241.9680 10.85546 227.1342 11.56086 14.83379       15.85858 
1 1 1 2  2  32  o 413.4471 8.130853 11.81053       0.4641881     11.44910       0.6524443     12.18099       0.6605528     406.9153 11.61185 419.7316 11.39719 -12.81631      16.27056 
1 1 1 2  2  33  o 327.7337 7.982900 7.421093       0.3612599     7.150029       0.5086108     7.697088       0.5132177     321.5681 11.45446 333.6568 11.13945 -12.08875      15.97786 
1 1 1 2  2  34  o 367.3987 8.034124 9.326387       0.4075812     9.241694       0.5753066     9.411731       0.5775134     365.5862 11.39650 368.9370 11.33632 -3.350800      16.07459 
1 1 1 2  2  35  o 641.9639 9.359325 28.48328       0.8296466     27.66145       1.085481      29.63783       1.286581      632.3787 12.43103 654.3896 14.23845 -22.01086      18.90143 
1 1 1 2  2  36  o 359.1493 9.274528 8.915039       0.4599438     8.996457       0.6512215     8.834000       0.6496987     360.5948 13.07890 357.3189 13.16794 3.275848       18.55943 
1 1 1 2  2  37  o 98.39403 10.32466 0.6766669      0.1381849     0.7019780      0.2177277     0.6595949      0.1788142     99.35826 16.44503 96.65836 13.78834 2.699905       21.46060 
1 1 1 2  2  38  o 491.8008 11.81900 16.72985       0.8026163     14.50315       1.097858      19.28629       1.176343      457.4113 17.38207 527.6176 16.14644 -70.20624      23.72433 
1 1 1 2  2  39  o 459.6183 10.41075 14.60666       0.6607199     15.17277       1.052703      14.23870       0.8487057     467.9349 16.29231 453.5574 13.55149 14.37750       21.19156 
1 1 1 2  2  40  o 354.5330 9.285360 8.688821       0.4545623     9.207140       0.6490095     8.189729       0.6368591     364.7449 12.88617 343.9685 13.40870 20.77637       18.59695 
1 1 1 2  2  41  o 184.7018 8.366315 2.357814       0.2133749     2.403049       0.2827169     2.297945       0.3252490     186.0652 11.05361 181.7395 13.04754 4.325638       17.10031 
1 1 1 2  2  42  o 746.2203 9.077150 38.49549       0.9353077     38.72818       1.326201      38.26522       1.319276      747.9832 12.84043 743.4975 12.85044 4.485657       18.16619 
1 1 1 2  2  43  o 266.9384 7.900687 4.924781       0.2912151     4.982722       0.4121661     4.867023       0.4115152     268.3656 11.12263 265.2258 11.23653 3.139771       15.81052 
1 1 1 2  2  44  o 213.9437 7.849514 3.163624       0.2318890     3.277258       0.3286390     3.050950       0.3272467     217.3614 10.98523 209.6691 11.34545 7.692383       15.79223 
1 1 1 2  2  45  o 507.5057 8.345323 17.80593       0.5848198     17.92518       0.8283913     17.68744       0.8257353     508.8674 11.78943 505.4771 11.83045 3.390381       16.70181 
1 1 1 2  2  46  o 399.8282 8.130994 11.05202       0.4489056     11.00785       0.6343681     11.09632       0.6353296     398.7572 11.52112 400.3592 11.49241 -1.601990      16.27304 
1 1 1 2  2  47  o 530.3163 8.413282 19.44690       0.6160819     19.28520       0.8692862     19.61008       0.8732702     527.6946 11.93005 532.1270 11.88489 -4.432434      16.83974 
1 1 1 2  2  48  o 145.6985 7.924128 1.472129       0.1588211     1.466620       0.2245768     1.477642       0.2246372     145.0931 11.29843 145.6444 11.25731 -0.5513306     15.94934 
1 1 1 2  2  49  o 53.68022 9.331890 0.2051527      0.6665970E-01 0.9534095E-01  0.9363241E-01 0.3180125      0.9492296E-01 39.52155 13.86824 66.95313 10.62210 -27.43158      17.46874 
1 1 1 2  2  50  o 266.2061 7.933483 4.901729       0.2916218     4.805760       0.4117701     4.998302       0.4130640     263.3344 11.32424 268.5743 11.13820 -5.239899      15.88389 
1 1 1 2  2  51  o 382.2162 8.091267 10.10793       0.4270350     10.15622       0.6042664     10.05975       0.6035717     382.7174 11.43437 380.8896 11.47603 1.827881       16.20013 
1 1 1 2  2  52  o 307.8127 7.977364 6.556831       0.3390658     6.558793       0.4793779     6.554867       0.4796450     307.4997 11.29003 307.4065 11.29975 0.9323120E-01  15.97339 
1 1 1 2  2  53  o 325.5311 8.024179 7.335629       0.3606875     7.288351       0.5097616     7.383029       0.5104172     324.0476 11.39254 326.1545 11.33350 -2.106873      16.06979 
1 1 1 2  2  54  o 101.6637 8.229753 0.7203832      0.1145377     0.7510117      0.1616687     0.6895172      0.1622946     103.3612 11.52357 98.88300 12.14132 4.478195       16.73931 
1 1 1 2  2  55  o 505.8979 8.394418 17.73051       0.5863966     17.73742       0.8293921     17.72360       0.8291879     505.1281 11.89106 504.9308 11.89277 0.1972961      16.81771 
1 1 1 2  2  56  o 285.4214 7.986199 5.643847       0.3147492     5.677923       0.4453892     5.609853       0.4448563     285.7927 11.28627 284.0649 11.34134 1.727753       16.00018 
1 1 1 2  2  57  o 171.9528 9.256772 2.057797       0.2189800     2.020239       0.3090859     2.095648       0.3102867     169.6522 13.30071 172.8504 13.09765 -3.198227      18.66701 
1 1 1 2  2  58  o 41.81961 12.96267 0.1216097      0.8260198E-01 0.4705624E-01  0.1175698     0.1942834      0.1160782     37.31106 14.97036 52.13535 15.19378 -14.82429      21.32985 
1 1 1 2  2  59  f 167.6328 10.16258 1.961643       0.2341235     1.946273       0.3032614     1.984318       0.3683504     166.3203 13.31653 167.2242 16.15344 -0.9039154     20.93475 
1 1 1 2  2  60  o 258.4099 10.13836 4.647120       0.3617553     4.655096       0.5720175     4.641804       0.4670065     256.5671 16.22984 257.2329 13.19235 -0.6658020     20.91520 
1 1 1 2  2  61  o 376.8646 9.429186 9.878547       0.4906791     9.421700       0.6885016     10.35008       0.6994786     366.5893 13.60151 384.4056 13.17791 -17.81635      18.93828 
1 1 1 2  2  62  o 132.3872 8.776665 1.223463       0.1595305     1.257107       0.2105087     1.178072       0.2445105     133.6833 11.51633 128.8111 13.97092 4.872223       18.10559 
1 1 1 2  2  63  o 333.6796 8.097562 7.733480       0.3730971     7.673068       0.5271058     7.794138       0.5281736     331.3595 11.52021 333.9870 11.45273 -2.627441      16.24439 
1 1 1 2  2  64  o 108.3107 8.428744 0.8201928      0.1250658     0.8072421      0.1765630     0.8332341      0.1771782     106.7187 12.20107 108.4811 12.03079 -1.762466      17.13493 
1 1 1 2  2  65  o 204.3129 8.013041 2.899359       0.2260638     2.896842       0.3196273     2.901879       0.3197778     203.2867 11.43310 203.4652 11.42832 -0.1785431     16.16546 
1 1 1 2  2  66  o 203.0246 8.028280 2.862547       0.2250656     2.851767       0.3181957     2.873341       0.3183859     201.7143 11.47143 202.4883 11.43393 -0.7739563     16.19656 
1 1 1 2  2  67  o 88.16055 8.693790 0.5453453      0.1044552     0.5242350      0.1474603     0.5666061      0.1479851     85.60159 12.87400 89.17728 12.34927 -3.575691      17.83940 
1 1 1 2  2  68  o 161.3303 8.120397 1.811786       0.1803180     1.820169       0.2548901     1.803386       0.2551265     161.0375 11.53922 160.2749 11.60654 0.7625885      16.36659 
1 1 1 2  2  69  o 176.4699 8.067093 2.161850       0.1965738     2.100668       0.2776306     2.223356       0.2783655     173.0569 11.68672 178.1330 11.37643 -5.076096      16.30959 
1 1 1 2  2  70  o 59.43558 10.03664 0.2525113      0.7943717E-01 0.2807152      0.1123324     0.2242986      0.1123498     62.13852 13.47972 55.50948 14.49922 6.629044       19.79722 
1 1 1 2  2  71  o 89.01369 8.859626 0.5558138      0.1074487     0.5141954      0.1517855     0.5976189      0.1521259     84.69807 13.42616 91.69125 12.32771 -6.993187      18.22729 
1 1 1 2  2  72  o 423.4547 8.328535 12.44821       0.4869827     12.69761       0.6910394     12.20217       0.6863793     426.5269 11.73325 418.0622 11.89009 8.464691       16.70460 
1 1 1 2  2  73  o 146.2825 8.299072 1.490124       0.1669428     1.474335       0.2361494     1.505898       0.2360363     144.8485 11.91245 146.4303 11.77325 -1.581833      16.74860 
1 1 1 2  2  74  o 134.2215 8.363894 1.255478       0.1542425     1.288187       0.2184599     1.222965       0.2178053     135.3500 11.80718 131.7916 12.10384 3.558395       16.90894 
1 1 1 2  2  75  o 148.4793 8.313047 1.535304       0.1697523     1.620013       0.2405941     1.451335       0.2395413     151.9379 11.55441 143.6281 12.19346 8.309738       16.79836 
1 1 1 2  2  76  o 234.6626 8.147771 3.822810       0.2640103     3.879675       0.3740056     3.766334       0.3727314     235.7639 11.48849 231.9716 11.67385 3.792282       16.37877 
1 1 1 2  2  77  o 98.99151 10.27155 0.6898686      0.1383578     0.7240661      0.1947890     0.6550471      0.1965578     100.5339 14.44688 95.27688 15.47120 5.257042       21.16767 
1 1 1 2  2  78  o 96.20976 11.58262 0.6558949      0.1507818     0.6547742      0.2380289     0.6566459      0.1948652     94.28825 18.93999 95.38326 15.31344 -1.095001      24.35620 
1 1 1 2  2  79  o 163.0856 10.60051 1.863689       0.2374195     1.752287       0.3093473     2.023360       0.3703506     157.1277 14.41874 168.3863 16.12546 -11.25853      21.63171 
1 1 1 2  2  80  o 96.29919 10.55890 0.6549395      0.1381012     0.6159875      0.1959522     0.6933808      0.1946633     92.04481 15.99814 98.10446 14.83306 -6.059654      21.81652 
1 1 1 2  2  81  o 308.8620 10.49736 6.664414       0.4476954     6.697804       0.7047623     6.641824       0.5796818     306.4726 16.71694 307.0870 13.67068 -0.6143799     21.59499 
1 1 1 2  2  82  o 84.46774 10.39404 0.5059040      0.1186730     0.5740876      0.1558576     0.4118387      0.1830640     89.44852 12.99926 74.43241 18.00726 15.01611       22.20906 
1 1 1 2  2  83  o 123.7181 8.809685 1.071865       0.1495152     1.145318       0.2118493     0.9989682      0.2110459     127.1056 12.22113 118.3844 13.13179 8.721184       17.93878 
1 1 1 2  2  84  o 182.7680 8.403593 2.326552       0.2120817     2.287406       0.2999885     2.365666       0.2998691     179.9873 12.14145 183.1243 11.92402 -3.136993      17.01755 
1 1 1 2  2  85  o 108.6641 9.158886 0.8296327      0.1361442     0.7628591      0.1925600     0.8963741      0.1925138     102.9923 13.89480 112.1328 12.65480 -9.140450      18.79387 
1 1 1 2  2  86  o 279.5687 8.945273 5.452439       0.3453187     5.577857       0.5289410     5.359278       0.4558735     280.8520 13.63929 276.0504 11.95964 4.801605       18.14010 
1 1 1 2  2  87  o 99.84398 10.16474 0.7045706      0.1381836     0.7765371      0.2131319     0.6523809      0.1814995     103.4243 15.39332 94.96479 14.28351 8.459465       20.99936 
1 1 1 2  2  88  o 131.9696 9.580197 1.223444       0.1733867     1.016787       0.2653810     1.377360       0.2290276     118.1123 16.74041 139.4076 12.01507 -21.29528      20.60591 
1 1 1 2  2  89  o 129.2073 9.636535 1.173573       0.1706910     1.209207       0.2622526     1.147383       0.2248321     129.5909 14.92865 126.8206 13.02392 2.770241       19.81129 
1 1 1 2  2  90  o 131.5405 9.680570 1.216611       0.1745966     1.222871       0.2680698     1.211999       0.2300921     130.1967 15.19707 130.3698 12.95314 -0.1730957     19.96834 
1 1 1 2  2  91  o 137.8093 9.747882 1.335317       0.1842958     1.386735       0.2832818     1.297584       0.2426725     138.7753 15.02302 134.8290 13.20411 3.946335       20.00099 
1 1 1 2  2  92  o 49.85500 14.50136 0.1806308      0.1058299     0.3042499      0.1633226     0.9115794E-01  0.1389470     63.94170 17.82800 42.89934 16.55644 21.04236       24.33009 
1 1 1 2  2  93  o 108.4693 10.62124 0.8332300      0.1570405     0.9240623      0.2421544     0.7673007      0.2063057     112.5912 16.02829 102.7764 14.97742 9.814835       21.93693 
1 1 1 2  2  94  o 68.64017 13.22592 0.3443095      0.1208090     0.4013773      0.1870412     0.3034605      0.1582458     73.01581 18.52277 63.79764 17.45673 9.218166       25.45251 
1 1 1 2  2  95  o 71.56721 13.23088 0.3739149      0.1259336     0.4302206      0.1946926     0.3334100      0.1651304     75.46822 18.76308 66.69164 17.65462 8.776573       25.76312 
1 1 1 2  2  96  o 166.9123 9.170616 1.955615       0.2105506     1.856029       0.2972917     2.055836       0.2982376     161.0596 13.49205 169.8459 12.81084 -8.786331      18.60519 
1 1 1 2  2  97  o 38.54644 14.51970 0.8093672E-01  0.1052072     0.1821455      0.1424340     -0.4057835E-01 0.1560701     51.17519 17.13057 35.86722 15.89047 15.30798       23.36586 
1 1 1 2  2  98  o 84.32620 17.18706 0.5346147      0.1933357     0.7019412      0.2782619     0.3784525      0.2688186     95.04461 21.68211 70.96535 23.52720 24.07926       31.99442 
1 1 1 2  2  99  o 129.5618 14.36057 1.222216       0.2525920     0.9949514      0.2948432     1.849117       0.4896936     114.3694 19.36081 153.4720 23.88448 -39.10267      30.74588 
1 1 1 2  2  100 o 32.21736 14.41739 -0.4540243E-01 0.1318304     -0.1168350     0.1753501     0.4746168E-01  0.1999318     34.34637 15.85056 44.96286 18.92409 -10.61649      24.68525 
1 1 1 2  2  101 o 25.87076 12.01199 -0.8242877E-01 0.1029840     -0.7527392E-01 0.1331944     -0.9306392E-01 0.1623894     30.72683 14.04484 33.66541 15.43229 -2.938574      20.86656 
1 1 1 2  2  102 o 57.44271 16.22799 0.2536303      0.1343987     0.2152948      0.1717752     0.3141401      0.2158105     54.32539 18.79964 63.47703 21.08202 -9.151638      28.24673 
1 1 1 2  2  103 o 44.40908 16.03573 0.1320653      0.1260387     0.7959620E-02  0.1600259     0.3348427      0.2045522     38.17355 16.51748 64.62125 20.45442 -26.44770      26.29089 
1 1 1 2  2  104 o 71.42175 15.56624 0.3964978      0.1491804     0.3415240      0.1919218     0.4804139      0.2371205     64.82813 19.69890 75.57377 21.62695 -10.74564      29.25358 
1 1 1 2  2  105 o 42.30418 15.84662 0.1141425      0.1249757     0.3606278E-01  0.1583555     0.2430893      0.2035024     39.30883 16.70790 56.44780 20.37715 -17.13898      26.35114 
1 1 1 2  2  106 o 55.47287 17.06141 0.2441130      0.1434137     0.2061184      0.1746398     0.3227965      0.2513185     52.48883 18.88612 62.69441 22.64296 -10.20558      29.48540 
1 1 1 2  2  107 o 36.55262 15.11066 0.4849665E-01  0.1241302     -0.5942381E-01 0.1523036     0.2620111      0.2142259     33.26271 15.13182 57.60314 20.88978 -24.34043      25.79448 
1 1 1 2  2  108 o 33.58422 14.08728 0.3026192E-01  0.1101850     0.7838519E-01  0.1472079     -0.3104824E-01 0.1661574     40.80728 16.61517 36.09943 16.16807 4.707848       23.18341 
1 1 1 2  2  109 f 31.72273 13.52354 0.1551364E-01  0.1043068     -0.8970771E-01 0.1400613     0.1465389      0.1562945     30.29915 14.04703 46.56692 17.66017 -16.26777      22.56548 
1 1 1 2  2  110 o 46.82101 15.58076 0.1664545      0.1178549     0.3327144E-01  0.1567463     0.3396703      0.1787584     38.63461 16.52671 63.83245 18.92550 -25.19784      25.12582 
1 1 1 2  2  111 o 30.93380 13.22344 0.1193940E-01  0.1002248     0.3194511E-01  0.1315697     -0.1571955E-01 0.1547022     36.06271 15.27402 35.65868 15.80828 0.4040222      21.98175 
1 1 1 2  2  112 o 56.09853 15.41323 0.2500531      0.1230695     0.2674157      0.1629238     0.2269811      0.1878105     57.32534 18.26652 54.11538 19.56952 3.209953       26.76998 
1 1 1 2  2  113 o 37.29596 14.44815 0.7993396E-01  0.1061233     0.1422690      0.1395082     -0.5675155E-02 0.1634910     45.21116 16.78049 36.98191 16.32998 8.229248       23.41480 
1 1 1 2  2  114 f 63.13695 15.10973 0.3187712      0.1299698     0.3280418      0.1728979     0.3067265      0.1970765     62.32475 18.64335 60.02463 20.15006 2.300125       27.45177 
1 1 1 2  2  115 o 70.18061 13.57073 0.3858565      0.1267530     0.3940321      0.1784894     0.3775391      0.1800321     67.69780 18.54625 66.07742 18.82215 1.620377       26.42417 
1 1 1 2  2  116 o 42.19731 16.41984 0.1205795      0.1375372     0.2174529      0.2264249     0.6393641E-01  0.1731392     52.25321 20.84097 40.63110 17.37479 11.62210       27.13355 
1 1 1 2  2  117 o 29.61567 13.52353 -0.4083225E-01 0.1231060     -0.1089908     0.1834162     0.1504382E-01  0.1660697     33.05030 15.56486 36.77914 16.33831 -3.728836      22.56557 
1 1 1 2  2  118 f ?        ?        -0.5300684     0.7897092E-01 0.000000       0.000000      -0.5300684     0.7897092E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 2  2  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  1   o 684.0324 25.37374 32.51921       2.396620      32.51921       2.396620      0.000000       0.000000      684.0324 25.37374 ?        ?        0.000000       25.37374 
1 1 1 2  3  2   o 575.0547 17.12846 22.90028       1.360083      22.90028       1.360083      0.000000       0.000000      575.0547 17.12846 ?        ?        0.000000       17.12846 
1 1 1 2  3  3   o 348.9138 15.95968 8.427249       0.7689186     8.427249       0.7689186     0.000000       0.000000      348.9138 15.95968 ?        ?        0.000000       15.95968 
1 1 1 2  3  4   f 482.9136 11.74675 16.12374       0.7832946     16.02769       1.104256      16.22102       1.111269      481.1298 16.62147 484.0225 16.62707 -2.892670      23.51027 
1 1 1 2  3  5   o 899.7902 13.67615 56.00536       1.699194      57.33747       2.432466      54.73585       2.374625      909.5460 19.36798 888.6745 19.35148 20.87146       27.37879 
1 1 1 2  3  6   o 521.1749 11.86782 18.78051       0.8540683     18.98450       1.209329      18.57753       1.206347      523.6223 16.72586 517.9668 16.86678 5.655457       23.75379 
1 1 1 2  3  7   o 477.1831 11.72099 15.74328       0.7723020     16.00041       1.094598      15.48839       1.089817      480.7302 16.48980 472.9597 16.68751 7.770477       23.46032 
1 1 1 2  3  8   o 412.3103 11.51847 11.75310       0.6557780     11.61952       0.9266217     11.88714       0.9282007     409.6734 16.38049 414.3752 16.22222 -4.701813      23.05386 
1 1 1 2  3  9   o 595.1407 12.20582 24.49160       1.003055      24.07685       1.413316      24.91253       1.423810      589.6155 17.35930 599.7786 17.19187 -10.16309      24.43166 
1 1 1 2  3  10  o 81.06699 11.47489 0.4633594      0.1248610     0.4754809      0.1764936     0.4512143      0.1766667     81.44294 16.26351 79.24705 16.67295 2.195892       23.29140 
1 1 1 2  3  11  o 282.5428 11.21250 5.518771       0.4374462     5.363998       0.6155680     5.676675       0.6217632     277.8970 16.11098 285.9389 15.80897 -8.041901      22.57182 
1 1 1 2  3  12  o 151.8127 11.14176 1.601798       0.2319293     1.513280       0.3270151     1.691388       0.3289891     146.9391 16.39692 155.5568 15.52365 -8.617691      22.57969 
1 1 1 2  3  13  o 275.6395 11.21674 5.252407       0.4269195     5.156848       0.6034624     5.348150       0.6040488     272.4585 16.11191 277.5125 15.82906 -5.054016      22.58656 
1 1 1 2  3  14  o 313.9903 11.31477 6.815833       0.4905689     6.815306       0.6957878     6.816354       0.6917679     313.3503 16.13562 313.3843 16.03995 -0.3402710E-01 22.75167 
1 1 1 2  3  15  o 422.3355 11.59445 12.33195       0.6761541     12.53344       0.9612191     12.13458       0.9513103     425.4769 16.36095 418.6451 16.45653 6.831787       23.20556 
1 1 1 2  3  16  o 866.6335 13.52818 51.95282       1.618874      51.98597       2.291304      51.91977       2.287567      866.0787 19.15964 865.5303 19.14051 0.5483398      27.08230 
1 1 1 2  3  17  o 124.0565 11.25161 1.072677       0.1906433     1.090389       0.2693723     1.054902       0.2698490     124.4824 16.04486 122.3586 16.38286 2.123833       22.93111 
1 1 1 2  3  18  o 479.9637 11.77830 15.92784       0.7806005     15.94176       1.102108      15.91382       1.105772      479.8265 16.63421 479.3999 16.70436 0.4266052      23.57398 
1 1 1 2  3  19  o 570.7207 12.12005 22.52299       0.9551377     22.46684       1.348487      22.57953       1.353062      569.5690 17.14599 570.9940 17.16122 -1.424988      24.25886 
1 1 1 2  3  20  f 71.42286 11.79796 0.3620485      0.1122915     0.3743045      0.1589181     0.3498276      0.1586905     72.10375 16.33952 69.69091 16.70745 2.412842       23.36918 
1 1 1 2  3  21  o 215.6005 11.19026 3.222163       0.3319956     3.217249       0.4699910     3.227058       0.4690358     214.9919 15.94540 215.3272 15.88720 -0.3353271     22.50908 
1 1 1 2  3  22  o 224.4023 11.15425 3.481261       0.3456254     3.471469       0.4893968     3.491004       0.4881817     223.3656 15.97283 224.0056 15.88585 -0.6399536     22.52758 
1 1 1 2  3  23  o 213.6544 11.18624 3.164426       0.3288675     3.105622       0.4648494     3.223351       0.4653288     211.1937 16.06053 215.2147 15.76827 -4.020920      22.50731 
1 1 1 2  3  24  o 437.3205 9.584526 13.21704       0.5787733     13.04790       0.8158023     13.38845       0.8212429     434.2971 13.60379 439.9334 13.51907 -5.636383      19.17885 
1 1 1 2  3  25  o 129.5594 9.234818 1.165833       0.1641282     1.187522       0.2314758     1.143904       0.2327541     130.3840 13.03165 127.9021 13.37689 2.481941       18.67525 
1 1 1 2  3  26  o 412.5210 9.590643 11.76072       0.5463007     11.89944       0.7717107     11.62137       0.7734641     414.7450 13.47521 409.8589 13.66683 4.886078       19.19279 
1 1 1 2  3  27  o 247.4531 9.210883 4.231579       0.3147257     4.298706       0.4443057     4.163976       0.4458772     248.9567 12.96956 244.9907 13.22941 3.965973       18.52638 
1 1 1 2  3  28  o 486.2010 9.781116 16.33842       0.6566625     16.63380       0.9312533     16.04631       0.9260902     490.3169 13.75476 481.5673 13.92702 8.749573       19.57436 
1 1 1 2  3  29  o 208.5345 8.485251 3.004869       0.2443321     3.023219       0.3237311     2.980581       0.3724426     208.8007 11.27005 207.1605 13.08738 1.640152       17.27118 
1 1 1 2  3  30  o 510.8406 8.488778 18.03225       0.5987818     18.27506       0.8504602     17.79357       0.8431970     514.0507 11.98147 507.2296 12.03889 6.821106       16.98501 
1 1 1 2  3  31  o 193.5529 8.549230 2.588767       0.2284886     2.660414       0.3028081     2.494037       0.3481866     195.8278 11.24555 189.3849 13.40115 6.442856       17.49438 
1 1 1 2  3  32  o 275.2989 9.586717 5.238585       0.3644286     4.172498       0.5067035     6.380949       0.5245177     245.0313 15.04877 303.7148 12.50709 -58.68344      19.56765 
1 1 1 2  3  33  f 668.0342 12.68236 30.87444       1.169868      30.24884       1.641558      31.52008       1.667636      660.5435 17.99769 674.2940 17.91076 -13.75055      25.39119 
1 1 1 2  3  34  o 320.8695 10.25569 7.118141       0.4543926     7.589220       0.5906958     6.435337       0.7111573     331.1826 12.91690 304.2549 16.99533 26.92767       21.34684 
1 1 1 2  3  35  o 346.4944 11.50179 8.303905       0.5503003     8.400542       0.7806126     8.208431       0.7758931     348.1941 16.23589 344.1828 16.32581 4.011261       23.02469 
1 1 1 2  3  36  o 347.8235 10.31156 8.365243       0.4952465     9.339294       0.7985631     7.756465       0.6313168     367.1489 15.75176 334.7385 13.65852 32.41040       20.84882 
1 1 1 2  3  37  o 327.2733 8.650009 7.403025       0.3908995     7.299853       0.5174221     7.540205       0.5966316     324.8452 11.53534 330.0564 13.09122 -5.211243      17.44833 
1 1 1 2  3  38  o 217.5501 8.021621 3.270828       0.2409680     3.166834       0.3399979     3.375785       0.3415679     213.6380 11.56861 220.6216 11.24957 -6.983597      16.13647 
1 1 1 2  3  39  o 213.5967 7.949085 3.153129       0.2344497     3.131883       0.3311946     3.174468       0.3319305     212.4633 11.33006 213.9116 11.27748 -1.448303      15.98599 
1 1 1 2  3  40  o 380.5764 8.183485 10.01128       0.4300492     9.934608       0.6067407     10.08868       0.6096323     378.8975 11.59694 381.8269 11.56281 -2.929352      16.37643 
1 1 1 2  3  41  o 83.52464 8.539285 0.4873154      0.9710096E-01 0.3957669      0.1369491     0.5798663      0.1376969     74.39913 13.84008 90.85826 11.21335 -16.45913      17.81255 
1 1 1 2  3  42  o 358.2806 8.098052 8.873639       0.4006285     8.871316       0.5655299     8.875978       0.5676245     358.0094 11.43993 358.1003 11.47938 -0.9097290E-01 16.20642 
1 1 1 2  3  43  o 266.3290 7.971225 4.903560       0.2931444     4.919625       0.4140285     4.887410       0.4151112     266.5928 11.24718 265.7144 11.31387 0.8783875      15.95315 
1 1 1 2  3  44  o 133.4000 8.000649 1.234754       0.1466928     1.235644       0.2072909     1.233862       0.2076193     133.1083 11.38775 133.0086 11.41507 0.9970093E-01  16.12404 
1 1 1 2  3  45  o 138.9571 7.990639 1.339537       0.1526748     1.328930       0.2157971     1.350166       0.2160326     138.0572 11.42267 139.1732 11.34014 -1.116028      16.09584 
1 1 1 2  3  46  f 182.6209 7.922506 2.306305       0.1997795     2.314662       0.2823063     2.297920       0.2827561     182.4558 11.26036 181.7863 11.32069 0.6694794      15.96727 
1 1 1 2  3  47  o 125.4668 8.086933 1.093391       0.1393578     1.168615       0.1971740     1.018308       0.1969894     129.3956 11.14422 120.6091 11.98718 8.786491       16.36723 
1 1 1 2  3  48  o 141.1950 8.029208 1.383687       0.1558950     1.373662       0.2200343     1.393791       0.2209058     140.2979 11.45802 141.3340 11.41684 -1.036163      16.17499 
1 1 1 2  3  49  o 213.1059 7.946853 3.142478       0.2338453     3.185986       0.3305090     3.098866       0.3309057     214.0483 11.22144 211.0690 11.39605 2.979248       15.99346 
1 1 1 2  3  50  o 131.2919 8.142637 1.197789       0.1468904     1.277729       0.2079401     1.118164       0.2075292     135.2415 11.23676 126.3351 12.04222 8.906425       16.47057 
1 1 1 2  3  51  o 338.5571 8.087416 7.935881       0.3780765     8.044378       0.5350854     7.827712       0.5342773     340.3940 11.38422 335.7555 11.52406 4.638428       16.19890 
1 1 1 2  3  52  f 158.9997 8.065131 1.755238       0.1764906     1.823417       0.2498211     1.687306       0.2493704     161.6455 11.26289 155.3969 11.70757 6.248627       16.24562 
1 1 1 2  3  53  o 200.8441 7.958579 2.794027       0.2207153     2.737988       0.3114390     2.850574       0.3128430     198.1569 11.43071 202.2340 11.24746 -4.077072      16.03641 
1 1 1 2  3  54  o 192.4564 8.530903 2.567913       0.2267072     2.503294       0.2991787     2.655057       0.3474294     189.3587 11.49656 194.7411 12.99487 -5.382385      17.35043 
1 1 1 2  3  55  o 273.8651 10.14714 5.211956       0.3837234     5.190626       0.6057972     5.226248       0.4958890     271.4774 16.23497 273.6454 13.12376 -2.167969      20.87600 
1 1 1 2  3  56  o 144.5872 10.34180 1.461334       0.2051102     1.589628       0.2676853     1.278901       0.3192084     150.3086 13.02621 133.5547 17.74876 16.75383       22.01592 
1 1 1 2  3  57  o 199.5367 10.16396 2.776851       0.2791149     2.584704       0.3608220     3.063139       0.4404308     191.6879 13.72281 208.2714 15.42442 -16.58351      20.64529 
1 1 1 2  3  58  o 167.6520 9.326324 1.959924       0.2150484     1.968601       0.3711328     1.955538       0.2638577     166.3421 16.37012 167.0345 11.51024 -0.6923218     20.01166 
1 1 1 2  3  59  o 80.17961 9.488724 0.4533357      0.1030158     0.4689249      0.1357692     0.4321830      0.1581517     80.96043 12.55108 77.04540 15.40420 3.915031       19.87005 
1 1 1 2  3  60  o 81.80412 8.947209 0.4707291      0.9941722E-01 0.5176349      0.1404753     0.4236601      0.1407194     85.17532 12.30036 76.56842 13.81807 8.606895       18.49968 
1 1 1 2  3  61  o 178.0751 8.047488 2.202452       0.1978798     2.133518       0.2794752     2.271752       0.2802149     174.3178 11.67836 179.9864 11.33279 -5.668564      16.27318 
1 1 1 2  3  62  o 163.3813 8.087603 1.854308       0.1824569     1.829968       0.2578791     1.878707       0.2581870     161.3722 11.65144 163.5525 11.50574 -2.180328      16.37492 
1 1 1 2  3  63  o 197.3607 8.056961 2.705537       0.2195685     2.616294       0.3100380     2.795334       0.3109977     193.0991 11.68277 199.7146 11.32401 -6.615524      16.27023 
1 1 1 2  3  64  o 114.3414 8.505280 0.9134873      0.1333248     0.8869116      0.1882529     0.9402311      0.1888481     111.9077 12.39065 115.3405 12.03473 -3.432793      17.27319 
1 1 1 2  3  65  o 256.5671 8.077045 4.571043       0.2861485     4.500693       0.4042411     4.641696       0.4051107     253.8278 11.53356 257.8130 11.37970 -3.985260      16.20248 
1 1 1 2  3  66  o 98.45928 8.627057 0.6786892      0.1161060     0.5985126      0.1637798     0.7596915      0.1646208     91.48469 13.35889 103.6457 11.70781 -12.16106      17.76324 
1 1 1 2  3  67  o 247.8224 8.081633 4.263530       0.2765525     4.272554       0.3910810     4.254505       0.3911277     247.4050 11.44775 246.8758 11.47366 0.5291901      16.20790 
1 1 1 2  3  68  o 98.57265 8.634964 0.6799946      0.1163466     0.7010922      0.1644420     0.6588472      0.1646362     99.44494 12.23343 96.25781 12.69641 3.187126       17.63110 
1 1 1 2  3  69  o 141.7869 8.265827 1.400206       0.1611287     1.397464       0.2278821     1.402948       0.2278587     141.0096 11.81254 141.2939 11.78653 -0.2843475     16.68708 
1 1 1 2  3  70  o 166.8260 8.169118 1.931648       0.1881814     1.880213       0.2659422     1.983227       0.2663157     163.7031 11.84502 168.2168 11.53509 -4.513672      16.53369 
1 1 1 2  3  71  o 283.8319 8.147902 5.591151       0.3193338     5.603592       0.4518393     5.578734       0.4513735     283.4034 11.54625 282.7706 11.56016 0.6328735      16.33870 
1 1 1 2  3  72  o 268.5559 8.151508 5.005649       0.3022808     5.065602       0.4278506     4.945899       0.4271296     269.4609 11.49896 266.2292 11.61893 3.231750       16.34703 
1 1 1 2  3  73  o 187.5461 8.187981 2.441522       0.2120424     2.419152       0.2995267     2.463996       0.3002210     185.8032 11.73495 187.5432 11.65077 -1.740005      16.53631 
1 1 1 2  3  74  o 222.4101 8.164378 3.433939       0.2507354     3.455586       0.3545801     3.412289       0.3546067     222.2019 11.59677 220.7823 11.67322 1.419647       16.45446 
1 1 1 2  3  75  o 181.6867 8.810537 2.294222       0.2210362     2.261551       0.2915758     2.338365       0.3389255     179.5383 11.82757 182.1213 13.57488 -2.583023      18.00469 
1 1 1 2  3  76  o 55.48391 13.79215 0.2246093      0.1052107     0.2089640      0.1648917     0.2353525      0.1366396     55.42550 18.42883 57.02860 16.44582 -1.603100      24.69994 
1 1 1 2  3  77  o 99.27141 11.39388 0.6974457      0.1533535     0.6476155      0.2023047     0.7647561      0.2351263     94.47568 16.08401 102.5337 17.21748 -8.058060      23.56135 
1 1 1 2  3  78  o 164.9649 10.60015 1.907475       0.2401795     1.966392       0.3134209     1.823653       0.3738415     166.6664 13.74140 159.3208 17.26976 7.345627       22.06968 
1 1 1 2  3  79  o 252.6771 10.49574 4.459256       0.3661986     4.200201       0.5731778     4.637928       0.4760174     242.3208 17.24263 256.3959 13.49288 -14.07510      21.89443 
1 1 1 2  3  80  o 208.3176 8.923599 3.022950       0.2566871     2.942771       0.3382212     3.131864       0.3941942     204.4594 12.03302 210.3798 13.64322 -5.920425      18.19151 
1 1 1 2  3  81  o 187.3794 8.999734 2.447411       0.2328571     2.389770       0.3563934     2.490347       0.3075897     183.3608 14.18659 187.9876 11.91118 -4.626816      18.52391 
1 1 1 2  3  82  o 200.6499 8.957851 2.807037       0.2481880     3.007926       0.3811611     2.659173       0.3270106     206.0312 13.47211 194.1029 12.26395 11.92830       18.21818 
1 1 1 2  3  83  o 215.5951 8.931486 3.241558       0.2658892     3.237853       0.4071128     3.244314       0.3511184     213.5483 13.88178 214.5455 11.89876 -0.9971313     18.28344 
1 1 1 2  3  84  o 119.9160 9.637409 1.010941       0.1582311     1.044771       0.2429371     0.9860155      0.2085284     120.4568 14.92540 117.5402 13.06946 2.916611       19.83881 
1 1 1 2  3  85  o 123.5299 9.629432 1.072571       0.1629545     1.246852       0.2504899     0.9446974      0.2145636     132.0315 13.95090 114.7837 13.81490 17.24781       19.63362 
1 1 1 2  3  86  o 145.4091 9.390502 1.482919       0.1875390     1.657980       0.2887717     1.355228       0.2466269     152.4369 13.87089 137.9512 13.10459 14.48569       19.08224 
1 1 1 2  3  87  o 169.1229 9.283595 2.003764       0.2159694     1.989081       0.3307674     2.014676       0.2851402     166.7815 14.50723 168.6612 12.32892 -1.879684      19.03843 
1 1 1 2  3  88  o 104.3863 10.19392 0.7701047      0.1450588     0.8334771      0.2230366     0.7236473      0.1909654     107.0931 15.53612 100.0697 14.22022 7.023392       21.06147 
1 1 1 2  3  89  o 119.9945 10.00116 1.014836       0.1642009     1.119823       0.2523821     0.9377804      0.2162197     124.5894 14.97001 114.1901 14.00656 10.39928       20.50085 
1 1 1 2  3  90  o 112.7909 10.27685 0.8986503      0.1582995     0.8813346      0.2431445     0.9113895      0.2085539     109.7685 16.55637 112.6294 13.69160 -2.860931      21.48426 
1 1 1 2  3  91  o 186.5964 8.678206 2.430249       0.2235997     2.577426       0.3174955     2.285419       0.3149551     190.8270 12.11201 179.3903 12.79885 11.43666       17.62133 
1 1 1 2  3  92  o 91.29144 10.34286 0.5915988      0.1280788     0.5419375      0.1815265     0.6408294      0.1807376     85.76870 15.91348 93.93182 14.39345 -8.163116      21.45717 
1 1 1 2  3  93  o 41.97839 13.28566 0.1235478      0.8629907E-01 0.7045662E-01  0.1225078     0.1758447      0.1215880     39.47429 15.45876 49.76296 15.77194 -10.28867      22.08455 
1 1 1 2  3  94  o 108.6447 10.56671 0.8367727      0.1565151     0.8950077      0.2054711     0.7562720      0.2415783     111.4681 13.63359 100.7879 18.01988 10.68016       22.59626 
1 1 1 2  3  95  o 54.00044 14.73890 0.2154912      0.1129733     0.3499820      0.1460897     0.1541451E-01  0.1781852     68.49877 15.77152 41.54688 17.69264 26.95189       23.70169 
1 1 1 2  3  96  o 121.1464 12.77174 1.053479       0.2104283     1.120524       0.2645541     0.9380020      0.3471986     123.7602 15.84466 109.4528 23.66226 14.30744       28.47728 
1 1 1 2  3  97  o 69.94233 16.23162 0.3682606      0.1537378     0.4991782E-01  0.2024809     0.8015987      0.2362381     45.67654 19.12454 103.6732 17.09850 -57.99669      25.65359 
1 1 1 2  3  98  o 72.84320 17.44048 0.4053523      0.1730969     0.3389828      0.2037181     0.5776968      0.3282798     66.49389 20.31519 84.30218 25.79409 -17.80829      32.83355 
1 1 1 2  3  99  o 93.15180 14.32852 0.6419452      0.1783968     0.4435814      0.2691602     0.7973547      0.2382420     74.53152 23.44835 102.5124 17.45633 -27.98085      29.23266 
1 1 1 2  3  100 o 60.49566 16.54321 0.2812298      0.1421674     0.1874066      0.1929164     0.3927438      0.2103190     53.23006 19.73757 70.31418 20.44026 -17.08412      28.41436 
1 1 1 2  3  101 o 79.96033 14.21615 0.4810554      0.1512105     0.2934754      0.1954052     0.7610385      0.2387310     61.38463 20.04498 98.80235 18.16809 -37.41772      27.05330 
1 1 1 2  3  102 f 43.82132 15.87895 0.1281286      0.1237430     0.3008168      0.1579318     -0.1464537     0.1991474     61.68887 17.64883 35.31928 16.50024 26.36958       24.16069 
1 1 1 2  3  103 o 60.82288 15.46133 0.2892132      0.1301341     0.2543948      0.1831840     0.3246880      0.1849028     57.12237 19.42563 63.27246 19.35822 -6.150089      27.42436 
1 1 1 2  3  104 o 45.87600 15.38216 0.1556899      0.1148449     0.3333858E-01  0.1621531     0.2788355      0.1626786     39.46766 16.84427 58.94386 18.17827 -19.47620      24.78264 
1 1 1 2  3  105 o 46.15071 15.66508 0.1579382      0.1191228     0.2193554      0.1665484     0.9361015E-01  0.1704495     53.33966 18.50841 43.85003 17.86920 9.489624       25.72682 
1 1 1 2  3  106 o 63.81599 14.86125 0.3197878      0.1285136     0.2687740      0.1794086     0.3735492      0.1841765     57.64267 19.22567 67.00330 19.02079 -9.360626      27.04472 
1 1 1 2  3  107 o 71.49832 14.42435 0.3977657      0.1374946     0.2713504      0.1911544     0.5332811      0.1979151     57.80697 19.84159 80.63583 18.20613 -22.82885      26.92864 
1 1 1 2  3  108 o 47.89567 15.28165 0.1769285      0.1140002     0.2579024      0.1582588     0.8959594E-01  0.1643553     56.45741 18.00450 42.88614 17.51962 13.57127       25.12168 
1 1 1 2  3  109 o 49.54930 15.02347 0.1915043      0.1117188     0.8632702E-01  0.1553953     0.3040245      0.1607281     41.98631 17.08035 60.89352 17.91675 -18.90721      24.75376 
1 1 1 2  3  110 o 53.06516 15.60714 0.2226429      0.1219824     0.3342924      0.1607338     0.7100354E-01  0.1873204     63.89815 17.63864 43.48326 18.31029 20.41489       25.42417 
1 1 1 2  3  111 o 27.03531 12.05975 -0.2446069E-01 0.9145394E-01 0.6362318E-01  0.1191706     -0.1506584     0.1426418     37.13457 15.01105 28.13226 13.38883 9.002310       20.11448 
1 1 1 2  3  112 o 32.72998 13.50214 0.3761204E-01  0.9881681E-01 0.8002828E-01  0.1293454     -0.2185053E-01 0.1531464     39.26779 15.72099 35.03251 15.61808 4.235279       22.16019 
1 1 1 2  3  113 o 28.08280 12.37625 -0.1173275E-01 0.9345840E-01 0.4860279E-01  0.1240421     -0.9095712E-01 0.1421386     36.18789 15.04438 30.29184 14.08040 5.896049       20.60560 
1 1 1 2  3  114 o 41.47430 15.97095 0.1130712      0.1290691     -0.1196456E-01 0.1656608     0.3062111      0.2058916     36.32590 16.21558 59.07917 20.57425 -22.75327      26.19628 
1 1 1 2  3  115 o 34.82143 15.62264 -0.1418973E-01 0.1558487     0.1315225      0.2043910     -0.2165802     0.2408845     46.18990 19.26621 35.21464 16.92981 10.97526       25.64772 
1 1 1 2  3  116 o 42.62373 17.82019 0.1100803      0.1754395     0.1945180E-01  0.2263013     0.2465959      0.2777447     41.08228 18.59255 53.09076 22.32273 -12.00848      29.05146 
1 1 1 2  3  117 o 47.40676 21.28312 0.1501697      0.2897514     0.000000       0.000000      0.1501697      0.2897514     ?        ?        47.40676 21.28312 0.000000       21.28312 
1 1 1 2  3  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  0   o 304.9525 22.97724 6.546635       0.9549090     6.546635       0.9549090     0.000000       0.000000      304.9525 22.97724 304.9525 22.97724 -0.000000      0.000000 
1 1 1 2  4  1   o 448.8419 16.55413 13.94908       1.025977      13.42906       1.452464      14.46693       1.449443      439.0499 24.04963 455.9015 23.10003 -16.85156      33.34661 
1 1 1 2  4  2   o 188.5322 12.93376 2.469870       0.3346682     2.495212       0.4115222     2.420375       0.5751083     189.1927 15.89999 185.3295 22.96520 3.863190       27.93224 
1 1 1 2  4  3   o 246.5669 12.92330 4.216238       0.4384623     4.630145       0.5393097     3.409255       0.7530422     258.2080 15.19318 220.0681 25.23758 38.13983       29.45790 
1 1 1 2  4  4   o 882.2738 13.59075 53.84673       1.655712      53.79761       2.323585      53.89740       2.359897      881.0372 19.09969 881.8038 19.38131 -0.7666016     27.21090 
1 1 1 2  4  5   o 1181.470 15.39451 96.61342       2.511460      95.71422       3.524223      97.54124       3.579915      1174.506 21.73052 1185.626 21.86689 -11.11951      30.82818 
1 1 1 2  4  6   o 420.6648 11.54079 12.23462       0.6703622     12.10630       0.9474094     12.36328       0.9486627     418.1532 16.40833 422.5788 16.25796 -4.425598      23.09880 
1 1 1 2  4  7   o 817.2084 13.23785 46.19310       1.493785      46.45856       2.120141      45.93141       2.105002      818.7917 18.75225 814.1376 18.72478 4.654114       26.50027 
1 1 1 2  4  8   o 311.2393 11.27278 6.697002       0.4844661     6.615716       0.6826302     6.779493       0.6876745     308.7156 16.06912 312.5321 15.98846 -3.816437      22.66821 
1 1 1 2  4  9   o 572.5201 12.12011 22.66548       0.9581537     22.21711       1.344659      23.12797       1.365653      566.3835 17.19347 577.8855 17.11436 -11.50195      24.25936 
1 1 1 2  4  10  f 388.6420 11.46867 10.44271       0.6154615     10.38316       0.8695027     10.50250       0.8712882     387.2598 16.26037 389.4831 16.20075 -2.223267      22.95352 
1 1 1 2  4  11  o 159.7496 11.15629 1.772835       0.2445468     1.812159       0.3468580     1.733968       0.3448337     161.0296 15.80303 157.4470 16.08721 3.582520       22.55070 
1 1 1 2  4  12  o 344.9250 11.36687 8.225347       0.5413820     8.208288       0.7666002     8.242319       0.7646629     344.3280 16.12347 345.0455 16.04929 -0.7174377     22.74964 
1 1 1 2  4  13  o 437.2001 11.62980 13.21582       0.7020862     12.93256       0.9889334     13.50367       0.9969143     432.1690 16.57202 441.6256 16.34804 -9.456635      23.27853 
1 1 1 2  4  14  o 210.9709 11.17849 3.085641       0.3244829     3.033405       0.4572644     3.138625       0.4605292     208.7174 15.98769 212.3465 15.81979 -3.629120      22.49159 
1 1 1 2  4  15  o 230.2757 11.16386 3.665920       0.3549773     3.535855       0.4994351     3.798707       0.5046328     225.4160 16.15269 233.7316 15.72729 -8.315521      22.54455 
1 1 1 2  4  16  o 198.3638 11.25206 2.729062       0.3069309     2.782299       0.4333972     2.675496       0.4347377     199.8565 15.83432 195.9138 16.21610 3.942688       22.66468 
1 1 1 2  4  17  o 163.8530 11.31281 1.864989       0.2543867     1.945112       0.3606135     1.785623       0.3589068     166.8770 15.83957 159.7395 16.50984 7.137573       22.87940 
1 1 1 2  4  18  o 1136.516 15.15698 89.40334       2.378628      89.94678       3.382540      88.87173       3.345540      1138.512 21.51629 1131.716 21.40872 6.795776       30.35266 
1 1 1 2  4  19  o 698.0363 12.78849 33.70196       1.232637      33.67199       1.743921      33.73188       1.742504      697.0873 18.11764 697.7113 18.08673 -0.6240234     25.60036 
1 1 1 2  4  20  o 164.3453 11.27352 1.876202       0.2542852     1.855357       0.3606008     1.896821       0.3586345     162.8849 16.24963 164.7487 15.96527 -1.863754      22.78026 
1 1 1 2  4  21  o 801.3310 13.23035 44.42267       1.463934      44.16912       2.066366      44.67818       2.074287      798.2336 18.74732 802.8265 18.71152 -4.592896      26.48742 
1 1 1 2  4  22  o 305.0507 11.33292 6.434325       0.4773663     6.386558       0.6743172     6.482314       0.6758813     303.2545 16.16175 305.5350 16.07689 -2.280426      22.79624 
1 1 1 2  4  23  f 360.3969 11.47603 8.981536       0.5710983     8.937180       0.8059286     9.026273       0.8093925     359.2235 16.24777 361.0104 16.23684 -1.786865      22.97009 
1 1 1 2  4  24  o 441.3734 11.70448 13.47230       0.7133397     13.30857       1.004590      13.63880       1.013093      438.3157 16.59832 443.7261 16.53470 -5.410400      23.42862 
1 1 1 2  4  25  o 380.9722 11.51861 10.03705       0.6059427     9.902564       0.8540069     10.17340       0.8598881     378.0968 16.35763 383.2407 16.24921 -5.143921      23.05665 
1 1 1 2  4  26  o 569.2957 17.25668 22.46022       1.356541      24.30291       1.962958      20.77571       1.876819      591.1463 24.04795 546.4290 24.87428 44.71729       34.59817 
1 1 1 2  4  27  o 481.5932 16.78899 16.07117       1.116459      17.23149       1.604393      14.98174       1.554608      497.8340 23.33932 463.4261 24.37990 34.40793       33.75061 
1 1 1 2  4  28  o 300.2851 22.99322 6.305030       0.9461476     6.305030       0.9461476     0.000000       0.000000      300.2851 22.99322 ?        ?        0.000000       22.99322 
1 1 1 2  4  29  o 467.3175 16.66344 15.13453       1.075263      15.23336       1.525492      15.03695       1.515858      467.3526 23.71662 464.3205 23.72218 3.032074       33.54430 
1 1 1 2  4  30  o 295.4465 13.07653 6.040964       0.5334691     6.055167       0.9247336     6.033879       0.6531031     294.1907 22.94549 294.6554 16.11306 -0.4646912     28.03794 
1 1 1 2  4  31  o 344.9396 9.407375 8.225332       0.4480738     7.650038       0.6281402     8.821351       0.6393526     332.4196 13.68460 357.0117 12.96940 -24.59213      18.85401 
1 1 1 2  4  32  o 443.9238 9.723491 13.62524       0.5960307     13.37003       0.8384702     13.88593       0.8474305     439.4276 13.81854 447.8359 13.70400 -8.408264      19.46154 
1 1 1 2  4  33  o 323.4677 9.352838 7.233768       0.4177459     6.992428       0.5873382     7.480852       0.5942870     317.7981 13.38440 328.7298 13.09240 -10.93167      18.72306 
1 1 1 2  4  34  o 287.3997 9.316276 5.710817       0.3697145     5.693461       0.5210905     5.728410       0.5246381     286.7597 13.16003 287.6355 13.20929 -0.8757324     18.64596 
1 1 1 2  4  35  o 572.1051 10.00817 22.63644       0.7906209     22.10937       1.108193      23.18280       1.128292      564.9120 14.20681 578.4745 14.12535 -13.56250      20.03395 
1 1 1 2  4  36  o 355.5891 9.464207 8.743942       0.4646978     8.988781       0.6578874     8.500151       0.6564787     360.2560 13.22521 350.2980 13.57203 9.957916       18.95010 
1 1 1 2  4  37  o 159.6270 9.316021 1.768110       0.2044487     1.623347       0.2880585     1.915055       0.2902218     152.4412 13.83556 165.8021 12.77500 -13.36086      18.83145 
1 1 1 2  4  38  o 424.1052 9.590560 12.44114       0.5616367     12.17658       0.7908705     12.71031       0.7977224     419.1721 13.66391 428.2805 13.48918 -9.108429      19.20053 
1 1 1 2  4  39  o 384.8306 9.500923 10.24438       0.5048629     10.34652       0.7157910     10.14326       0.7121906     386.3741 13.41653 382.5529 13.48239 3.821167       19.02046 
1 1 1 2  4  40  o 186.8680 7.995781 2.414394       0.2063164     2.400920       0.2918584     2.427852       0.2916924     185.8574 11.42785 186.9088 11.35585 -1.051376      16.11059 
1 1 1 2  4  41  o 290.9061 8.103760 5.852166       0.3255197     5.904093       0.4611490     5.800595       0.4595640     291.9596 11.43880 289.3842 11.50094 2.575439       16.22090 
1 1 1 2  4  42  o 142.2876 8.038756 1.404658       0.1572942     1.412728       0.2225576     1.396604       0.2223379     142.3441 11.41923 141.5170 11.47688 0.8270416      16.19004 
1 1 1 2  4  43  o 325.0953 8.122573 7.311037       0.3646215     7.274508       0.5164957     7.347327       0.5148137     323.9592 11.54618 325.5871 11.45104 -1.627930      16.26163 
1 1 1 2  4  44  o 241.7449 8.055392 4.043348       0.2688945     4.103218       0.3814438     3.984207       0.3791154     243.2745 11.35523 239.7118 11.45365 3.562698       16.12847 
1 1 1 2  4  45  o 109.1135 8.265798 0.8286862      0.1236132     0.8749785      0.1755418     0.7831523      0.1740980     111.7225 11.54547 105.5374 12.16975 6.185097       16.77500 
1 1 1 2  4  46  o 334.4117 8.145378 7.741270       0.3761237     7.951912       0.5345465     7.534719       0.5293302     338.4996 11.43640 329.4706 11.63515 9.029053       16.31466 
1 1 1 2  4  47  o 195.5980 8.015662 2.648672       0.2164919     2.711342       0.3066656     2.586408       0.3056685     197.3136 11.30269 192.6627 11.54305 4.650879       16.15527 
1 1 1 2  4  48  o 217.4523 8.028354 3.274391       0.2410618     3.256047       0.3412674     3.292660       0.3405595     216.2086 11.47204 217.4392 11.38229 -1.230530      16.16058 
1 1 1 2  4  49  o 61.16667 9.172709 0.2650857      0.7508426E-01 0.2781446      0.1061596     0.2520143      0.1062108     62.09658 12.80626 59.00011 13.34889 3.096474       18.49846 
1 1 1 2  4  50  o 151.7563 8.105029 1.600331       0.1692253     1.535944       0.2388318     1.665248       0.2398126     148.1263 11.77389 154.3477 11.33131 -6.221420      16.34084 
1 1 1 2  4  51  o 141.8708 9.397512 1.403106       0.1830533     1.431261       0.2570906     1.374154       0.2607001     142.6367 13.20295 139.6379 13.69705 2.998856       19.02438 
1 1 1 2  4  52  f 217.6763 11.45268 3.308970       0.3430252     3.147072       0.4806512     3.477020       0.4896971     210.9364 16.63720 221.9475 16.08783 -11.01109      23.14336 
1 1 1 2  4  53  o 204.7319 10.16628 2.915328       0.2873991     2.882883       0.3723084     2.963171       0.4521002     202.6200 13.38243 204.6682 16.12797 -2.048187      20.95712 
1 1 1 2  4  54  o 190.0209 10.25406 2.520035       0.2680553     2.752115       0.4259242     2.367826       0.3449332     197.1990 15.77394 183.3895 13.72085 13.80946       20.90643 
1 1 1 2  4  55  o 67.04833 11.88976 0.3230171      0.1060470     0.4168105      0.1635049     0.2549124      0.1393264     75.51730 16.16781 59.22293 16.44998 16.29437       23.06512 
1 1 1 2  4  56  o 238.3147 8.659423 3.946416       0.2849560     4.028697       0.3764448     3.836002       0.4360767     240.2345 11.34823 233.4906 13.58428 6.743912       17.70070 
1 1 1 2  4  57  o 128.2104 8.298166 1.146567       0.1461196     1.134387       0.2062744     1.158834       0.2070162     126.8402 11.91716 128.2317 11.82472 -1.391525      16.78817 
1 1 1 2  4  58  o 335.6667 8.227072 7.828139       0.3813217     7.811971       0.5386279     7.844388       0.5399151     334.2600 11.66988 334.9515 11.67362 -0.6914978     16.50635 
1 1 1 2  4  59  o 224.2696 8.128530 3.494122       0.2517215     3.558953       0.3567323     3.429830       0.3552482     225.3622 11.50196 221.1768 11.67334 4.185440       16.38786 
1 1 1 2  4  60  o 342.8843 8.249753 8.168480       0.3905948     8.153014       0.5525887     8.183922       0.5521806     341.4688 11.71961 342.1269 11.68842 -0.6581116     16.55199 
1 1 1 2  4  61  o 336.3896 8.205404 7.860165       0.3811364     7.967391       0.5397508     7.753529       0.5382689     337.6649 11.57629 333.0579 11.70420 4.606964       16.46204 
1 1 1 2  4  62  o 218.8357 8.131955 3.325659       0.2457260     3.333058       0.3476546     3.318272       0.3473636     218.1310 11.58383 217.6407 11.60048 0.4902649      16.39379 
1 1 1 2  4  63  o 154.8373 8.252726 1.669669       0.1758091     1.623438       0.2485861     1.715934       0.2486770     151.9523 11.94389 156.3239 11.60331 -4.371567      16.65213 
1 1 1 2  4  64  o 138.8654 8.445291 1.344207       0.1611681     1.435136       0.2286779     1.254465       0.2271818     142.8952 11.69199 133.3633 12.48188 9.531845       17.10263 
1 1 1 2  4  65  o 181.9595 8.174063 2.298368       0.2053764     2.271651       0.2903014     2.325137       0.2905910     180.0107 11.74353 182.1567 11.61364 -2.145981      16.51626 
1 1 1 2  4  66  o 112.3134 8.628446 0.8811480      0.1327912     0.8739249      0.1871024     0.8884791      0.1884955     111.1641 12.40057 112.0995 12.38434 -0.9354172     17.52558 
1 1 1 2  4  67  o 99.06908 8.815650 0.6870731      0.1193352     0.6074225      0.1679679     0.7682548      0.1695745     92.17944 13.60534 104.2302 12.00143 -12.05077      18.14220 
1 1 1 2  4  68  o 210.0415 8.182432 3.061991       0.2373152     2.915831       0.3340460     3.210928       0.3372051     204.0337 11.90850 214.2578 11.43913 -10.22406      16.51260 
1 1 1 2  4  69  o 157.1349 8.308235 1.718725       0.1796277     1.709353       0.2535810     1.728164       0.2544854     156.0485 11.85713 156.9154 11.83222 -0.8668518     16.75091 
1 1 1 2  4  70  o 123.5066 8.614964 1.064446       0.1460000     1.077507       0.2058514     1.051227       0.2071045     123.6104 12.22042 122.0274 12.46625 1.583031       17.45698 
1 1 1 2  4  71  o 180.4068 8.232416 2.259452       0.2050776     2.305097       0.2901422     2.213881       0.2899049     181.3614 11.64745 177.6672 11.88565 3.694229       16.64126 
1 1 1 2  4  72  o 181.5483 8.252174 2.288654       0.2068705     2.173072       0.2919082     2.405274       0.2932142     175.9303 12.08959 185.2703 11.51852 -9.339981      16.69834 
1 1 1 2  4  73  o 151.3772 9.746761 1.601814       0.2026488     1.721294       0.2853530     1.480241       0.2878407     156.1228 13.36550 144.3624 14.64237 11.76041       19.82513 
1 1 1 2  4  74  o 44.46960 14.92938 0.1313463      0.1081847     0.1476888      0.1607095     0.1178037      0.1462967     49.78679 18.08749 46.11954 17.17078 3.667252       24.93979 
1 1 1 2  4  75  o 34.22272 12.91070 0.6034486E-01  0.8325519E-01 0.3592559E-01  0.1529652     0.7062367E-01  0.9924250E-01 40.50603 16.76194 37.17722 14.07891 3.328815       21.89014 
1 1 1 2  4  76  o 86.22396 11.85862 0.5299762      0.1374518     0.4796294      0.2142120     0.5652142      0.1792101     80.25716 19.51769 88.25999 15.25678 -8.002823      24.77317 
1 1 1 2  4  77  o 198.6598 10.57268 2.765289       0.2889794     2.781807       0.4496839     2.753669       0.3771698     197.1378 16.67598 197.1814 13.94254 -0.4362488E-01 21.73667 
1 1 1 2  4  78  o 142.7798 10.03836 1.430564       0.1966514     1.367198       0.2752559     1.496626       0.2810489     138.3125 14.63472 144.9054 14.22977 -6.592911      20.41228 
1 1 1 2  4  79  o 161.3131 9.106360 1.820133       0.2020103     1.716163       0.3078021     1.898800       0.2677405     155.0679 14.54510 164.0346 11.90164 -8.966751      18.79385 
1 1 1 2  4  80  o 215.8918 8.901098 3.249653       0.2653492     3.264226       0.4048243     3.238675       0.3513519     214.5274 13.73832 214.3876 11.91576 0.1398315      18.18590 
1 1 1 2  4  81  o 108.6249 9.745132 0.8308715      0.1446143     0.7443432      0.2205368     0.8961452      0.1915450     100.9601 16.38091 112.1420 12.58719 -11.18185      20.65845 
1 1 1 2  4  82  o 50.17113 12.38737 0.1841327      0.8530299E-01 0.1251791      0.1306404     0.2279496      0.1126272     45.27515 16.32932 55.68225 14.50392 -10.40710      21.84057 
1 1 1 2  4  83  o 146.8890 9.305997 1.512483       0.1877761     1.414048       0.2869202     1.586230       0.2483477     140.3046 15.04459 149.6707 12.12078 -9.366165      19.31976 
1 1 1 2  4  84  o 140.3220 9.517515 1.382023       0.1833207     1.543273       0.2821773     1.264263       0.2411414     146.9505 14.07866 133.1384 13.29464 13.81215       19.36378 
1 1 1 2  4  85  o 129.9007 9.560293 1.185712       0.1702777     1.257104       0.2611809     1.132934       0.2245640     132.3126 14.53511 125.9978 13.09888 6.314812       19.56656 
1 1 1 2  4  86  o 90.39906 9.850491 0.5783069      0.1209686     0.6435491      0.1708277     0.5126847      0.1713242     94.48239 13.47575 83.59388 15.41024 10.88851       20.47123 
1 1 1 2  4  87  o 75.11273 10.91977 0.4039103      0.1099401     0.4262656      0.1555628     0.3816033      0.1553947     76.05706 15.34181 71.71114 16.08900 4.345924       22.23121 
1 1 1 2  4  88  o 166.0302 8.730973 1.929166       0.1994618     2.022666       0.2830356     1.836915       0.2811371     168.9490 12.21474 160.7706 12.76923 8.178345       17.67068 
1 1 1 2  4  89  o 104.1463 10.47919 0.7680887      0.1486524     0.7331758      0.1952833     0.8161925      0.2292250     100.5959 14.47564 105.6412 16.23360 -5.045303      21.75026 
1 1 1 2  4  90  o 68.68696 12.85590 0.3437878      0.1174495     0.3279229      0.1532747     0.3663521      0.1827946     66.29898 16.73975 69.83272 18.61730 -3.533737      25.03644 
1 1 1 2  4  91  o 101.5080 10.75668 0.7315910      0.1484732     0.7414091      0.1948041     0.7179828      0.2293445     101.1427 14.35092 98.41544 17.51883 2.727226       22.64637 
1 1 1 2  4  92  o 66.03508 12.94296 0.3190422      0.1137979     0.3191653      0.1486339     0.3188678      0.1769010     65.35574 16.47495 65.27013 18.68051 0.8561707E-01  24.90754 
1 1 1 2  4  93  o 67.93210 15.25056 0.3431789      0.1395473     0.1969505      0.1650222     0.7101865      0.2614352     53.67433 18.43481 96.59735 20.24767 -42.92302      27.38267 
1 1 1 2  4  94  o 70.15019 16.18363 0.3688649      0.1535701     0.3522870      0.1893986     0.4006819      0.2623865     68.15213 19.26823 72.64848 23.18449 -4.496346      30.14607 
1 1 1 2  4  95  o 46.14625 17.92164 0.1091290      0.1636014     0.1177727E-01  0.2106793     0.2570069      0.2596581     44.37691 19.07625 62.25222 22.93375 -17.87531      29.83052 
1 1 1 2  4  96  o 149.7999 13.30259 1.621200       0.2722973     1.427550       0.3166697     2.170617       0.5333939     138.6441 16.89027 165.9863 23.96645 -27.34221      29.32017 
1 1 1 2  4  97  o 57.87200 16.83953 0.2537958      0.1426851     0.2926031      0.2099515     0.2204881      0.1945069     62.39821 20.79723 56.18141 19.96132 6.216797       28.82671 
1 1 1 2  4  98  o 76.91249 13.60601 0.4402043      0.1392124     0.4852795      0.1801338     0.3733575      0.2193648     79.44678 16.93769 68.65999 21.09830 10.78680       27.05593 
1 1 1 2  4  99  o 47.87475 14.86165 0.1704895      0.1085307     0.1823957      0.1527574     0.1583534      0.1542244     50.62932 17.71663 48.59010 17.70870 2.039219       25.04949 
1 1 1 2  4  100 o 88.25255 11.61201 0.5712001      0.1380696     0.4950876      0.1953251     0.6472111      0.1951949     78.86279 18.29165 91.81152 15.97722 -12.94873      24.28695 
1 1 1 2  4  101 o 84.11063 12.04338 0.5241717      0.1358816     0.5240806      0.1939356     0.5242594      0.1904431     81.06715 17.81153 81.26910 17.48903 -0.2019424     24.96231 
1 1 1 2  4  102 o 72.60269 13.00737 0.3986171      0.1256114     0.4166490      0.1793637     0.3812617      0.1759676     71.68102 18.11380 68.47648 18.27136 3.204544       25.72844 
1 1 1 2  4  103 o 42.78668 14.61200 0.1324045      0.1036513     0.2775123      0.1491071     -0.3284883E-02 0.1441869     58.80337 17.24413 35.36960 15.48562 23.43377       23.17681 
1 1 1 2  4  104 o 36.09218 13.95729 0.7265857E-01  0.9889988E-01 0.2125551      0.1423552     -0.5786192E-01 0.1375021     52.15658 17.11275 31.55824 14.36466 20.59834       22.34256 
1 1 1 2  4  105 o 41.11482 14.38266 0.1198945      0.1006705     -0.5634059E-02 0.1439521     0.2400509      0.1408381     35.07128 15.41099 54.82238 16.91518 -19.75110      22.88279 
1 1 1 2  4  106 o 62.57188 14.15963 0.3055778      0.1194852     0.3466115      0.1704009     0.2658871      0.1675893     64.74578 18.26627 57.19580 18.55801 7.549984       26.03952 
1 1 1 2  4  107 o 28.33933 12.43700 -0.1033778E-01 0.9349114E-01 -0.3927236E-01 0.1318695     0.1890333E-01  0.1325662     31.75369 14.29786 35.29021 15.15003 -3.536514      20.83152 
1 1 1 2  4  108 o 29.94208 12.85666 0.7291778E-02  0.9550317E-01 0.3033003E-01  0.1338338     -0.1661194E-01 0.1363244     36.19488 15.37155 33.56562 14.86198 2.629253       21.38137 
1 1 1 2  4  109 o 46.36195 14.99167 0.1640444      0.1094359     0.1784485      0.1537711     0.1492615      0.1557800     49.11737 17.71590 46.75600 17.65522 2.361374       25.01119 
1 1 1 2  4  110 o 66.80496 14.27804 0.3489851      0.1277148     0.3023748      0.1800575     0.3961782      0.1811798     60.23809 19.20388 68.82082 18.61586 -8.582737      26.74583 
1 1 1 2  4  111 o 47.28658 15.04115 0.1742550      0.1105050     0.6916512E-01  0.1556671     0.2810101      0.1568956     40.52748 16.85136 58.25336 17.83352 -17.72588      24.53574 
1 1 1 2  4  112 o 45.26036 15.02818 0.1587658      0.1096657     0.7347804E-01  0.1549403     0.2443856      0.1552417     40.44406 16.81393 54.30288 17.87312 -13.85883      24.53888 
1 1 1 2  4  113 o 25.20666 12.15274 -0.1601938     0.1262270     -0.1138564     0.1639170     -0.2277083     0.1978593     31.44003 14.77774 31.26592 15.10890 0.1741104      21.13434 
1 1 1 2  4  114 o 55.41847 20.10191 0.2826312      0.1983871     0.3884501      0.2515509     0.1085221      0.3226674     61.92220 22.60895 49.23649 22.24937 12.68571       31.72064 
1 1 1 2  4  115 o 53.92800 23.53899 0.2828599      0.3309018     0.000000       0.000000      0.2828599      0.3309018     ?        ?        53.92800 23.53899 0.000000       23.53899 
1 1 1 2  4  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  0   o 210.1617 23.37638 3.170117       0.6569039     0.000000       0.000000      3.170117       0.6569039     210.1617 23.37638 210.1617 23.37638 0.000000       0.000000 
1 1 1 2  5  1   o 254.3398 13.22231 4.487365       0.4627640     3.817087       0.5649777     5.853775       0.8066672     234.0518 17.61068 289.7840 20.28758 -55.73218      26.86488 
1 1 1 2  5  2   f 635.6774 17.53547 27.99918       1.539190      29.51197       2.225693      26.61252       2.130887      651.4653 24.74207 618.5993 24.94670 32.86597       35.13556 
1 1 1 2  5  3   o 580.3364 14.05715 23.30641       1.126458      23.34085       1.381630      23.23812       1.945444      580.4261 17.23879 578.1434 24.36942 2.282715       29.85037 
1 1 1 2  5  4   o 425.4378 13.38116 12.52265       0.7860817     12.50383       0.9612681     12.56064       1.365753      424.8946 16.38420 424.5323 23.38849 0.3622742      28.55632 
1 1 1 2  5  5   o 667.4578 12.59185 30.81553       1.160516      30.04583       1.617534      31.63202       1.665972      658.4554 17.79054 675.6029 17.85822 -17.14752      25.20753 
1 1 1 2  5  6   o 803.1490 13.17434 44.62675       1.461043      44.00285       2.048184      45.27313       2.084755      796.6976 18.61819 808.1038 18.68314 -11.40619      26.37607 
1 1 1 2  5  7   o 520.7891 11.90209 18.75713       0.8559000     18.49662       1.206832      19.02077       1.214051      516.7150 16.91445 523.9993 16.77908 -7.284302      23.82511 
1 1 1 2  5  8   o 295.3191 11.26169 6.030488       0.4592330     6.072259       0.6501849     5.988904       0.6487246     295.6839 15.98407 293.6336 16.06074 2.050232       22.65917 
1 1 1 2  5  9   o 506.6461 11.85713 17.75235       0.8295111     18.38766       1.182208      17.13625       1.164211      515.2103 16.61772 497.3358 16.95289 17.87448       23.73919 
1 1 1 2  5  10  o 416.1577 11.57218 11.97656       0.6649841     11.94693       0.9382139     12.00647       0.9426609     415.3048 16.36052 416.3353 16.39737 -1.030548      23.16334 
1 1 1 2  5  11  o 506.9825 11.87754 17.77648       0.8314908     17.20215       1.164729      18.37339       1.187411      498.2813 16.92825 514.9895 16.69801 -16.70819      23.77791 
1 1 1 2  5  12  o 387.0490 13.28952 10.36550       0.7102534     10.67750       0.8721762     9.751233       1.223774      392.6313 16.08723 373.7583 23.83649 18.87299       28.75721 
1 1 1 2  5  13  o 589.0007 14.10710 24.01160       1.147338      23.31969       1.392706      25.47300       2.024052      580.0782 17.38741 605.1957 24.22076 -25.11755      29.81555 
1 1 1 2  5  14  o 517.2845 16.94440 18.54154       1.210301      17.28179       1.686355      19.87972       1.738065      498.4171 24.50293 534.7247 23.53954 -36.30759      33.97799 
1 1 1 2  5  15  o 689.7424 17.94405 32.98168       1.709013      33.73946       2.439001      32.25074       2.395408      696.1911 25.37147 680.6329 25.48758 15.55823       35.96287 
1 1 1 2  5  16  o 514.7627 23.99665 18.43158       1.705673      0.000000       0.000000      18.43158       1.705673      ?        ?        514.7627 23.99665 0.000000       23.99665 
1 1 1 2  5  17  o 613.0043 24.72349 26.15342       2.092721      0.000000       0.000000      26.15342       2.092721      ?        ?        613.0043 24.72349 0.000000       24.72349 
1 1 1 2  5  18  o 695.7626 25.47341 33.71328       2.447294      0.000000       0.000000      33.71328       2.447294      ?        ?        695.7626 25.47341 0.000000       25.47341 
1 1 1 2  5  19  o 607.8198 17.40039 25.61244       1.460400      23.91354       2.018810      27.47743       2.115195      586.0421 24.94760 628.3148 24.38008 -42.27271      34.88224 
1 1 1 2  5  20  o 280.9991 13.05656 5.464486       0.5066074     5.680321       0.6228580     5.042597       0.8708156     285.9007 15.83928 268.1729 23.76262 17.72784       28.55775 
1 1 1 2  5  21  o 103.4615 11.55497 0.7496260      0.1622571     0.7893895      0.2298241     0.7101091      0.2291101     105.5069 16.30064 99.79694 17.25007 5.709961       23.73343 
1 1 1 2  5  22  o 394.8456 11.57896 10.78490       0.6312985     10.82706       0.8943722     10.74304       0.8912180     395.2277 16.38826 393.6904 16.39423 1.537231       23.18073 
1 1 1 2  5  23  o 836.6955 13.42173 48.46395       1.550651      48.88043       2.205441      48.05678       2.180670      839.1364 19.03378 832.0493 18.98030 7.087158       26.88004 
1 1 1 2  5  24  f 322.2248 11.41053 7.182908       0.5076950     7.139676       0.7188098     7.225942       0.7171712     320.5096 16.29550 322.8680 16.08644 -2.358459      22.89796 
1 1 1 2  5  25  o 488.1063 11.89519 16.48606       0.8017217     16.35732       1.133751      16.61483       1.133861      485.6386 16.90700 489.4634 16.77650 -3.824829      23.81801 
1 1 1 2  5  26  o 275.8197 11.33945 5.263601       0.4318724     5.254061       0.6113173     5.273105       0.6102038     274.7962 16.18226 275.3042 16.12214 -0.5080566     22.84270 
1 1 1 2  5  27  o 198.2152 11.29188 2.727290       0.3077795     2.697123       0.4351745     2.757482       0.4353574     196.5520 16.17788 198.7787 15.99671 -2.226608      22.75123 
1 1 1 2  5  28  o 227.5585 11.27520 3.583236       0.3542871     3.598463       0.5006313     3.567958       0.5014449     227.2185 16.05990 226.2362 16.15808 0.9822693      22.78166 
1 1 1 2  5  29  o 150.0944 11.37654 1.567999       0.2340301     1.549580       0.3298387     1.586674       0.3321101     148.5628 16.34938 150.3650 16.25411 -1.802246      23.05424 
1 1 1 2  5  30  o 548.1656 12.15118 20.80524       0.9197469     20.44114       1.292614      21.17861       1.308978      542.5619 17.25367 552.2787 17.16469 -9.716858      24.33754 
1 1 1 2  5  31  o 261.8948 11.34211 4.747834       0.4101651     4.799013       0.5802485     4.696721       0.5798738     262.4712 16.08773 259.6240 16.25719 2.847198       22.87163 
1 1 1 2  5  32  o 278.9197 11.35548 5.385913       0.4373437     5.361068       0.6181355     5.410816       0.6188600     277.4157 16.20720 278.7138 16.14958 -1.298065      22.87974 
1 1 1 2  5  33  o 115.9108 11.58494 0.9395775      0.1829363     0.9535205      0.2590757     0.9257129      0.2583478     116.0004 16.65197 114.2217 16.88946 1.778641       23.71797 
1 1 1 2  5  34  f 195.0010 11.37799 2.642305       0.3050355     2.629115       0.4308667     2.655557       0.4319058     193.8655 16.24526 194.8527 16.19943 -0.9871368     22.94188 
1 1 1 2  5  35  o 207.8482 11.33517 3.001243       0.3240926     2.940819       0.4577841     3.061959       0.4588902     205.0566 16.30230 209.3110 15.99854 -4.254410      22.84115 
1 1 1 2  5  36  o 359.1783 11.53109 8.939596       0.5718981     8.847410       0.8080261     9.032128       0.8095482     356.6547 16.40739 360.3810 16.26832 -3.726288      23.10543 
1 1 1 2  5  37  o 215.4562 11.34718 3.226240       0.3363962     3.057069       0.4744441     3.397266       0.4770387     208.9214 16.58247 220.4489 15.77567 -11.52753      22.88777 
1 1 1 2  5  38  o 67.00482 10.39199 0.3183449      0.9303454E-01 0.3133770      0.1321761     0.3232228      0.1309735     65.84338 14.88725 66.90913 14.58760 -1.065758      20.84295 
1 1 1 2  5  39  o 239.7150 9.290977 3.979439       0.3075350     3.891510       0.4339074     4.068194       0.4359401     236.2993 13.35298 241.6597 13.11335 -5.360382      18.71529 
1 1 1 2  5  40  o 192.5209 9.297226 2.567470       0.2471549     2.567690       0.3486817     2.567248       0.3503841     191.7543 13.25007 191.7264 13.31763 0.2784729E-01  18.78627 
1 1 1 2  5  41  o 319.3636 9.431692 7.067764       0.4159231     7.143000       0.5877959     6.992319       0.5886133     320.4789 13.28278 317.0523 13.44501 3.426636       18.89975 
1 1 1 2  5  42  o 86.62891 9.824824 0.5269523      0.1154454     0.5965919      0.1623794     0.4557733      0.1641641     91.68356 13.20737 79.49338 15.51267 12.19018       20.37345 
1 1 1 2  5  43  o 258.4222 9.336953 4.629926       0.3331755     4.581975       0.4696365     4.678513       0.4727413     256.1932 13.32162 258.8965 13.26847 -2.703369      18.80207 
1 1 1 2  5  44  o 260.2087 9.351968 4.695656       0.3360182     4.585262       0.4735764     4.807578       0.4768434     256.1822 13.43444 262.3877 13.20337 -6.205505      18.83649 
1 1 1 2  5  45  o 249.0978 10.25357 4.309413       0.3526817     4.432843       0.4553054     4.124259       0.5576473     251.8311 13.13904 241.9360 16.79656 9.895065       21.32508 
1 1 1 2  5  46  o 149.0120 11.68926 1.555112       0.2385878     1.399791       0.3354329     1.714157       0.3394308     139.9950 17.75100 155.5645 16.03133 -15.56946      23.91864 
1 1 1 2  5  47  o 224.9600 13.45075 3.548294       0.4159056     3.508421       0.5069939     3.630341       0.7272589     222.8024 16.59859 223.9630 23.88509 -1.160583      29.08627 
1 1 1 2  5  48  o 81.50209 12.46440 0.4739724      0.1358162     0.5494327      0.1593040     0.2731643      0.2598710     87.64124 13.60488 65.39487 23.09013 22.24636       26.80013 
1 1 1 2  5  49  f 189.7664 16.40168 2.554065       0.4255548     2.919074       0.6085041     2.204653       0.5953619     200.8075 22.32333 172.8602 25.72713 27.94722       34.06195 
1 1 1 2  5  50  o 353.3423 11.71118 8.714789       0.5713924     9.034641       1.142247      8.608037       0.6598906     353.2807 23.55039 350.4933 13.63497 2.787384       27.21274 
1 1 1 2  5  51  o 114.2778 9.706314 0.9151930      0.1517139     0.7686493      0.2133439     1.065114       0.2157885     103.4212 15.40994 122.6922 12.93196 -19.27105      20.11720 
1 1 1 2  5  52  o 336.9625 8.784214 7.892454       0.4087167     7.808760       0.5403218     8.004394       0.6248801     334.2972 11.70528 337.8360 13.39531 -3.538788      17.78898 
1 1 1 2  5  53  o 215.7081 8.105138 3.231699       0.2414153     3.165382       0.3409662     3.298364       0.3418611     212.4998 11.66485 216.9892 11.45022 -4.489365      16.34553 
1 1 1 2  5  54  o 252.4719 8.129539 4.428095       0.2834111     4.429008       0.4012555     4.427187       0.4003537     251.7111 11.54465 251.6658 11.52078 0.4530334E-01  16.30973 
1 1 1 2  5  55  o 145.7047 8.256351 1.479725       0.1654287     1.484031       0.2344655     1.475457       0.2334409     145.2082 11.79560 144.7895 11.77830 0.4186707      16.66927 
1 1 1 2  5  56  o 233.3014 8.113551 3.780662       0.2613763     3.747524       0.3699046     3.813706       0.3693798     231.5569 11.56896 233.6216 11.45044 -2.064713      16.27739 
1 1 1 2  5  57  o 66.33091 9.775022 0.3127725      0.8684667E-01 0.3628045      0.1233893     0.2636536      0.1222580     70.86878 13.09136 60.03933 14.83342 10.82945       19.78418 
1 1 1 2  5  58  o 196.1777 8.134806 2.672585       0.2203610     2.667521       0.3124371     2.677597       0.3108441     195.0629 11.65306 195.4535 11.56908 -0.3906097     16.42064 
1 1 1 2  5  59  o 118.1660 8.370794 0.9746552      0.1356992     1.037725       0.1928143     0.9127579      0.1910137     121.3497 11.65021 113.5839 12.37941 7.765778       16.99932 
1 1 1 2  5  60  o 217.1658 8.138127 3.274167       0.2440361     3.381745       0.3455685     3.167147       0.3446715     219.8287 11.42381 212.6280 11.78553 7.200684       16.41348 
1 1 1 2  5  61  o 167.8229 8.183660 1.955135       0.1896430     1.908224       0.2678634     2.002279       0.2685292     164.8983 11.84299 168.9924 11.57743 -4.094086      16.56180 
1 1 1 2  5  62  o 121.1904 8.404025 1.024543       0.1397662     0.9386239      0.1968258     1.111934       0.1985034     115.2150 12.57611 125.7230 11.56408 -10.50792      17.08469 
1 1 1 2  5  63  o 205.7929 8.202185 2.939501       0.2330761     2.869573       0.3286841     3.010231       0.3305628     202.4232 11.81056 207.3949 11.58934 -4.971695      16.54697 
1 1 1 2  5  64  o 156.9558 8.319873 1.714813       0.1796713     1.782658       0.2541513     1.647030       0.2540358     159.4313 11.62475 153.1100 12.11476 6.321365       16.78994 
1 1 1 2  5  65  o 62.29079 10.18970 0.2769354      0.8461301E-01 0.2858713      0.1198086     0.2680435      0.1195137     62.64337 14.18096 60.62186 14.47688 2.021511       20.26524 
1 1 1 2  5  66  o 69.30389 10.10600 0.3411275      0.9386532E-01 0.3249973      0.1326727     0.3572931      0.1328186     66.76804 14.78093 70.16428 14.19644 -3.396240      20.49426 
1 1 1 2  5  67  o 198.4889 8.250675 2.734991       0.2261329     2.766685       0.3198481     2.703315       0.3197524     198.7542 11.70607 196.4242 11.84451 2.330002       16.65306 
1 1 1 2  5  68  o 151.2373 8.395223 1.593165       0.1746300     1.530957       0.2466232     1.655717       0.2473063     147.5171 12.21745 153.5516 11.75312 -6.034500      16.95293 
1 1 1 2  5  69  o 121.9345 10.02342 1.042154       0.1672702     1.101700       0.2370119     0.9830649      0.2361024     124.5271 14.02813 117.3270 14.91026 7.200150       20.47204 
1 1 1 2  5  70  o 40.17588 14.29914 0.9825914E-01  0.9985162E-01 0.1293312      0.2532082     0.9253737E-01  0.1086570     55.56737 22.07803 40.39507 14.84246 15.17231       26.60335 
1 1 1 2  5  71  o 89.04083 15.45042 0.5746824      0.1830740     0.6806255      0.3668426     0.5395460      0.2112625     94.70068 26.83059 85.50092 18.43662 9.199760       32.55441 
1 1 1 2  5  72  o 93.79247 12.43127 0.6268410      0.1570313     0.5930790      0.2274553     0.6575876      0.2170607     89.53098 18.98732 94.86922 17.20334 -5.338234      25.62174 
1 1 1 2  5  73  o 55.79991 12.39218 0.2267450      0.9299610E-01 0.1910663      0.1529202     0.2476837      0.1171481     53.07158 17.75004 58.13831 14.61014 -5.066727      22.98957 
1 1 1 2  5  74  o 175.7659 9.895318 2.162493       0.2391838     2.026768       0.3358429     2.302191       0.3407240     168.8006 14.55085 180.2358 13.79538 -11.43526      20.05093 
1 1 1 2  5  75  o 221.7905 9.748772 3.433738       0.2985595     3.223902       0.4190322     3.650097       0.4254958     213.1175 14.32254 227.1089 13.63130 -13.99146      19.77239 
1 1 1 2  5  76  o 237.4489 8.984021 3.930703       0.2945634     3.760163       0.4493408     4.059219       0.3900699     230.1709 14.20744 240.4752 11.74719 -10.30435      18.43497 
1 1 1 2  5  77  o 87.93876 10.67543 0.5490697      0.1269716     0.4364128      0.1963071     0.6300983      0.1664855     76.39016 18.74980 93.65129 13.24370 -17.26113      22.95541 
1 1 1 2  5  78  o 48.52532 12.44333 0.1720170      0.8377364E-01 0.3725596E-01  0.1298618     0.2680711      0.1096371     37.76614 15.51712 60.47369 13.47444 -22.70755      20.55095 
1 1 1 2  5  79  o 200.2441 9.157791 2.798486       0.2532144     3.063544       0.3922364     2.609089       0.3315607     207.6950 13.75464 192.0541 12.57201 15.64085       18.63453 
1 1 1 2  5  80  o 128.0310 9.711654 1.152082       0.1704116     1.113784       0.2660476     1.178726       0.2219095     124.0591 15.89640 128.7354 12.64686 -4.676308      20.31351 
1 1 1 2  5  81  o 167.1408 8.676345 1.953227       0.1995543     2.007624       0.2845314     1.900568       0.2799491     168.4003 12.32183 163.7751 12.47299 4.625153       17.53291 
1 1 1 2  5  82  o 117.5590 9.231726 0.9709767      0.1486517     1.021817       0.2121245     0.9219174      0.2083762     119.6134 13.05520 113.3920 13.57853 6.221359       18.83653 
1 1 1 2  5  83  o 157.7106 9.585318 1.745308       0.2077501     1.852873       0.2744695     1.601011       0.3178973     161.6608 12.38994 149.0167 15.68498 12.64404       19.98823 
1 1 1 2  5  84  o 193.6026 9.276872 2.619244       0.2479994     2.790405       0.3280140     2.390840       0.3789154     198.6834 12.01267 182.5801 15.16701 16.10332       19.34793 
1 1 1 2  5  85  o 48.06397 14.05618 0.1672725      0.9919262E-01 0.1370304      0.1289438     0.2111127      0.1552496     46.20927 16.27026 54.75200 17.86647 -8.542732      24.16468 
1 1 1 2  5  86  o 55.62199 14.14990 0.2280785      0.1089365     0.2621574      0.1423631     0.1799339      0.1692109     59.54158 16.66025 52.63117 18.62687 6.910416       24.99048 
1 1 1 2  5  87  o 269.9888 9.211005 5.095562       0.3433925     5.112433       0.4528625     5.072737       0.5267246     269.1935 12.18327 266.6922 14.35613 2.501312       18.82898 
1 1 1 2  5  88  o 122.0717 10.56254 1.053539       0.1762871     0.8673981      0.2283897     1.327896       0.2772767     109.1226 15.60147 135.6349 15.05906 -26.51231      21.68366 
1 1 1 2  5  89  o 48.87878 15.15318 0.1710939      0.1128728     0.3834055      0.1362287     -0.2938268     0.2015911     72.23692 14.16373 31.84892 15.35586 40.38800       20.89051 
1 1 1 2  5  90  o 123.6026 10.38484 1.080657       0.1755988     1.031824       0.2255508     1.155802       0.2797928     119.6298 13.91416 125.6616 16.52565 -6.031883      21.60326 
1 1 1 2  5  91  o 80.29996 15.17741 0.4766583      0.1621209     0.5528858      0.1908814     0.2793181      0.3071252     86.13107 16.65206 66.06889 24.82343 20.06218       29.89137 
1 1 1 2  5  92  o 118.6738 17.73918 1.048450       0.2817675     0.9590061      0.3345843     1.266589       0.5225117     111.0169 22.59465 122.6328 30.87663 -11.61586      38.26074 
1 1 1 2  5  93  o 65.47552 16.24718 0.3240751      0.1461931     0.6387902      0.2108939     0.3294440E-01  0.2028380     92.10206 17.21574 44.64683 18.94038 47.45523       25.59531 
1 1 1 2  5  94  o 37.36974 14.55336 0.6797258E-01  0.1081149     0.8857453E-01  0.1672340     0.5317918E-01  0.1417114     44.66931 17.87856 39.72763 16.25311 4.941685       24.16209 
1 1 1 2  5  95  o 87.46307 15.05795 0.5726292      0.1752954     0.6907036      0.2560053     0.4683999      0.2405282     93.55829 20.39229 76.43323 21.75032 17.12506       29.81479 
1 1 1 2  5  96  o 114.3186 11.28150 0.9443268      0.1757602     0.9492661      0.2253077     0.9366485      0.2809161     112.8647 14.81492 109.4529 19.29201 3.411789       24.32413 
1 1 1 2  5  97  o 56.05449 13.70085 0.2389446      0.1051519     0.2280232      0.1489550     0.2497935      0.1484608     54.67815 17.47044 56.83164 17.33808 -2.153484      24.61352 
1 1 1 2  5  98  o 70.45670 12.80045 0.3725494      0.1199463     0.3692413      0.1701154     0.3758201      0.1691481     67.99980 17.88004 68.66680 17.72033 -0.6669998     25.17352 
1 1 1 2  5  99  o 47.10675 14.89901 0.1674536      0.1085450     0.1674296      0.1549309     0.1674766      0.1521192     48.78148 17.75367 48.65574 17.60954 0.1257401      25.00577 
1 1 1 2  5  100 o 74.53407 12.80904 0.4191076      0.1270774     0.3540793      0.1807389     0.4826823      0.1787074     65.68655 18.90625 77.76244 17.10775 -12.07589      25.49748 
1 1 1 2  5  101 f 59.22775 13.79993 0.2716077      0.1107668     0.2985813      0.1581913     0.2456616      0.1551489     60.69003 17.75147 55.56052 17.83817 5.129501       25.16575 
1 1 1 2  5  102 o 48.48972 14.53716 0.1819465      0.1050374     0.2391347      0.1500703     0.1270252      0.1470659     54.78783 17.53892 44.57690 17.07687 10.21093       24.47923 
1 1 1 2  5  103 o 86.88840 11.96747 0.5641683      0.1397729     0.4806791      0.1977700     0.6474868      0.1975677     75.98792 18.92108 90.36020 16.44001 -14.37228      25.06553 
1 1 1 2  5  104 o 21.27111 10.15078 -0.1009374     0.8315840E-01 -0.1340786     0.1173142     -0.6746697E-01 0.1178954     25.32340 12.07680 28.42921 13.07515 -3.105806      17.79912 
1 1 1 2  5  105 o 29.83964 12.35004 0.2665602E-01  0.8305816E-01 0.2496080E-01  0.1162793     0.2842201E-01  0.1186815     33.88629 14.35603 34.41362 14.53727 -0.5273247     20.43105 
1 1 1 2  5  106 f 38.38438 14.42968 0.9213797E-01  0.1038056     0.4423483E-01  0.1462317     0.1407976      0.1473817     38.36425 16.16757 45.66086 17.18807 -7.296604      23.59704 
1 1 1 2  5  107 o 34.47661 13.69026 0.5826075E-01  0.9730770E-01 0.5227368E-01  0.1370835     0.6434137E-01  0.1381504     37.99738 15.80763 38.95770 16.00545 -0.9603233     22.49567 
1 1 1 2  5  108 o 54.66045 15.07205 0.2373620      0.1174357     0.1392920      0.1657085     0.3363144      0.1664523     46.33920 18.02550 63.63818 18.08830 -17.29897      25.53635 
1 1 1 2  5  109 o 29.53253 12.70427 0.7625953E-02  0.9356076E-01 -0.1362820E-01 0.1304830     0.3011703E-01  0.1342262     32.80740 14.53249 35.93751 15.33115 -3.130112      21.12433 
1 1 1 2  5  110 o 67.20319 16.52781 0.3740207      0.1523066     0.5535235      0.2119901     0.1825071      0.2189675     79.78370 19.42459 50.81634 20.41573 28.96736       28.18007 
1 1 1 2  5  111 o 24.28135 11.84781 -0.2013664     0.1297618     -0.2145886     0.1977981     -0.1913763     0.1719307     31.54309 15.20898 29.59444 14.24669 1.948643       20.83942 
1 1 1 2  5  112 o 50.02991 19.27522 0.2125771      0.1880745     0.2950786      0.2480297     0.1009666      0.2884863     55.76419 21.94741 47.47792 21.28128 8.286266       30.57093 
1 1 1 2  5  113 o 44.94360 20.18796 0.9946625E-01  0.2610640     0.000000       0.000000      0.9946625E-01  0.2610640     ?        ?        44.94360 20.18796 0.000000       20.18796 
1 1 1 2  5  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  0   o 139.2923 25.99232 1.477109       0.4488790     0.000000       0.000000      1.477109       0.4488790     139.2923 25.99232 139.2923 25.99232 0.000000       0.000000 
1 1 1 2  6  1   o 311.0328 13.17152 6.697320       0.5656919     6.406549       0.6931658     7.277168       0.9788547     303.5162 16.60223 322.6847 22.10171 -19.16849      27.64272 
1 1 1 2  6  2   o 287.3536 13.10125 5.716261       0.5198371     5.985150       0.6434488     5.210948       0.8820807     293.4166 15.94132 272.5293 23.67521 20.88727       28.54193 
1 1 1 2  6  3   o 309.6040 16.09086 6.662694       0.6855264     6.056056       0.9604894     7.292591       0.9787295     293.9067 23.87342 323.0260 22.07477 -29.11932      32.51516 
1 1 1 2  6  4   f 487.5147 13.70492 16.45798       0.9225762     16.31380       1.128740      16.74819       1.601304      485.0052 16.85425 490.3546 23.64970 -5.349365      29.04090 
1 1 1 2  6  5   o 319.0881 13.09523 7.048828       0.5769814     6.883045       0.7040486     7.387881       1.006858      314.6658 16.25928 325.0349 22.57365 -10.36908      27.81967 
1 1 1 2  6  6   o 219.6202 11.28929 3.345654       0.3411974     3.415454       0.4795392     3.274087       0.4855694     221.4195 15.78792 216.6929 16.34851 4.726685       22.72735 
1 1 1 2  6  7   o 360.9398 11.46021 9.013677       0.5711698     9.167890       0.8069174     8.858821       0.8085974     363.6409 16.07009 357.4295 16.38340 6.211456       22.94915 
1 1 1 2  6  8   o 277.9635 11.24363 5.345444       0.4315512     5.142424       0.6074021     5.552392       0.6132511     271.8473 16.25582 282.5741 15.77998 -10.72681      22.65522 
1 1 1 2  6  9   o 206.2519 11.20834 2.951787       0.3180120     3.003059       0.4500504     2.900656       0.4494240     207.5305 15.82439 203.9063 16.09281 3.624176       22.56967 
1 1 1 2  6  10  o 599.8739 12.25096 24.90710       1.014771      24.71586       1.432123      25.09995       1.438101      596.8060 17.37837 601.4363 17.31656 -4.630249      24.53306 
1 1 1 2  6  11  o 530.8787 11.99534 19.50580       0.8793180     20.52332       1.259594      18.53854       1.228091      543.9137 16.77114 516.8796 17.20692 27.03412       24.02810 
1 1 1 2  6  12  o 598.0111 12.31296 24.75528       1.016740      24.47659       1.432946      25.03784       1.442879      593.8456 17.47505 600.6295 17.39744 -6.783875      24.65864 
1 1 1 2  6  13  o 239.4708 11.22958 3.968054       0.3713249     4.189982       0.5257134     3.747104       0.5245539     245.3342 15.59965 231.8340 16.49367 13.50027       22.70221 
1 1 1 2  6  14  o 424.7722 11.64478 12.48753       0.6830075     12.29676       0.9620077     12.68144       0.9698772     420.9940 16.54873 427.5433 16.42853 -6.549316      23.31860 
1 1 1 2  6  15  o 239.5712 11.27449 3.971801       0.3729661     4.042874       0.5277924     3.900910       0.5271156     240.9037 15.95687 236.5799 16.23400 4.323807       22.76323 
1 1 1 2  6  16  o 375.0148 11.50194 9.733708       0.5956038     10.05564       0.8466483     9.418293       0.8380395     380.7147 16.10518 368.4108 16.47381 12.30386       23.03830 
1 1 1 2  6  17  o 446.2776 11.71656 13.78678       0.7220102     13.68808       1.021056      13.88549       1.021097      444.0815 16.65134 447.2892 16.53258 -3.207733      23.46472 
1 1 1 2  6  18  o 540.3447 12.04819 20.21591       0.8989404     20.05479       1.269670      20.37785       1.272923      537.4066 17.11000 541.7347 17.01679 -4.328125      24.13137 
1 1 1 2  6  19  o 323.3303 11.40176 7.236817       0.5090452     7.000455       0.7171388     7.476851       0.7226906     317.1378 16.43271 328.2353 15.94517 -11.09747      22.89721 
1 1 1 2  6  20  o 373.2303 11.53506 9.644263       0.5944766     9.814548       0.8422567     9.475218       0.8391854     376.0009 16.22249 369.4150 16.45149 6.585907       23.10456 
1 1 1 2  6  21  f 111.1931 11.49208 0.8651184      0.1739016     0.8284472      0.2455459     0.9020222      0.2463240     107.9128 17.04461 112.8389 16.28018 -4.926125      23.57039 
1 1 1 2  6  22  o 268.1705 11.31893 4.979296       0.4191355     4.851145       0.5900993     5.109773       0.5954307     263.8029 16.27927 270.8129 15.99393 -7.010040      22.82149 
1 1 1 2  6  23  o 194.1583 11.29804 2.619154       0.3015891     2.650568       0.4254620     2.587429       0.4275686     194.7201 15.96423 192.3268 16.25224 2.393341       22.78139 
1 1 1 2  6  24  o 151.8161 11.36412 1.605147       0.2364991     1.542695       0.3334391     1.668370       0.3354910     148.0773 16.59289 154.1569 15.99361 -6.079605      23.04603 
1 1 1 2  6  25  o 323.0381 11.43459 7.228821       0.5100495     7.267529       0.7213109     7.190111       0.7213268     323.3650 16.15443 321.2118 16.31666 2.153168       22.96081 
1 1 1 2  6  26  o 283.5210 11.35725 5.569143       0.4446276     5.549226       0.6291256     5.589018       0.6284716     282.0483 16.22219 283.0748 16.14544 -1.026489      22.88744 
1 1 1 2  6  27  o 202.3201 11.31580 2.845274       0.3148604     2.798444       0.4455307     2.891999       0.4450295     199.9191 16.28074 203.3053 15.98148 -3.386246      22.81381 
1 1 1 2  6  28  o 341.9644 11.49737 8.106455       0.5428967     8.064379       0.7683685     8.148400       0.7671766     340.3727 16.34846 342.1600 16.23783 -1.787354      23.04213 
1 1 1 2  6  29  o 256.3779 11.34044 4.557088       0.4014658     4.599886       0.5688524     4.514618       0.5666706     256.5361 16.14110 254.1209 16.23401 2.415176       22.89276 
1 1 1 2  6  30  o 215.4729 11.34949 3.228611       0.3364903     3.197830       0.4762366     3.259296       0.4755026     213.6355 16.26624 215.7274 16.07827 -2.091980      22.87141 
1 1 1 2  6  31  o 160.2229 11.38780 1.789740       0.2503024     1.860539       0.3547443     1.719548       0.3532228     162.6275 16.00465 156.1624 16.63694 6.465164       23.08542 
1 1 1 2  6  32  o 241.2326 11.36063 4.038383       0.3784222     4.063066       0.5360840     4.013867       0.5342602     240.8035 16.21692 239.3233 16.26352 1.480164       22.96716 
1 1 1 2  6  33  o 133.5421 11.55031 1.247221       0.2108885     1.230946       0.2981091     1.263525       0.2983737     131.7297 16.76926 133.5366 16.53518 -1.806885      23.55038 
1 1 1 2  6  34  o 115.1105 11.68816 0.9296526      0.1832033     0.9349785      0.2584460     0.9242733      0.2597361     114.4789 16.85394 113.7654 17.06025 0.7135162      23.98140 
1 1 1 2  6  35  o 160.4550 11.46603 1.797441       0.2523679     1.735934       0.3563360     1.859341       0.3574709     156.6860 16.72851 162.3400 16.16178 -5.654022      23.26040 
1 1 1 2  6  36  o 396.9417 11.71136 10.95241       0.6419069     10.99597       0.9074886     10.90880       0.9080985     396.3857 16.58003 394.7863 16.65839 1.599487       23.50317 
1 1 1 2  6  37  o 146.8804 11.55645 1.509105       0.2324899     1.489098       0.3287736     1.529115       0.3288072     144.8682 16.74413 146.8836 16.49704 -2.015442      23.50571 
1 1 1 2  6  38  o 276.5341 11.52405 5.320150       0.4400396     5.454425       0.6240042     5.187324       0.6206295     278.4904 16.29809 271.4580 16.63765 7.032318       23.29032 
1 1 1 2  6  39  o 369.5436 11.66987 9.507513       0.5954833     8.906868       0.8351600     10.12867       0.8492991     356.0267 16.98827 379.9667 16.18740 -23.94003      23.46557 
1 1 1 2  6  40  o 492.5284 17.14575 17.07453       1.166073      16.94271       1.648450      17.20654       1.649702      485.1248 24.69003 489.6569 24.39921 -4.532074      34.71194 
1 1 1 2  6  41  o 74.24545 22.87432 0.3961654      0.2576592     0.3961654      0.2576592     0.000000       0.000000      74.24545 22.87432 ?        ?        0.000000       22.87432 
1 1 1 2  6  42  o 101.7584 24.36627 0.7740635      0.3378404     0.7740635      0.3378404     0.000000       0.000000      101.7584 24.36627 ?        ?        0.000000       24.36627 
1 1 1 2  6  43  f 306.6606 16.46254 6.646605       0.6945474     5.856008       0.9698923     7.478778       0.9950683     283.5010 25.03313 322.1750 22.50923 -38.67407      33.66486 
1 1 1 2  6  44  o 220.4202 10.23888 3.383104       0.3116320     3.014547       0.4895047     3.634278       0.4041019     205.7501 17.39268 227.5352 12.91510 -21.78514      21.66345 
1 1 1 2  6  45  o 135.3587 9.496855 1.280790       0.1763785     1.284748       0.2496182     1.276843       0.2492559     134.7023 13.60687 134.2766 13.63235 0.4256287      19.26104 
1 1 1 2  6  46  o 282.4675 9.413033 5.551755       0.3671436     5.640849       0.5194295     5.462806       0.5190098     283.6422 13.26227 279.0629 13.46900 4.579254       18.90243 
1 1 1 2  6  47  o 102.1821 9.909157 0.7339461      0.1380564     0.7195436      0.1952634     0.7483420      0.1952190     100.1479 14.54557 102.2533 14.21047 -2.105316      20.33498 
1 1 1 2  6  48  o 196.1738 9.399919 2.678907       0.2546262     2.613787       0.3590344     2.744802       0.3611665     192.4629 13.59737 197.3303 13.33310 -4.867401      19.04363 
1 1 1 2  6  49  f 172.2050 9.492615 2.070740       0.2248480     2.007900       0.3164985     2.134773       0.3194887     168.5312 13.71953 173.8951 13.40898 -5.363983      19.18401 
1 1 1 2  6  50  o 189.9821 9.411403 2.512326       0.2468909     2.536979       0.3484960     2.487486       0.3498205     189.6765 13.39202 187.7524 13.58518 1.924133       19.07625 
1 1 1 2  6  51  o 185.1926 9.475447 2.393174       0.2414929     2.291662       0.3398912     2.496660       0.3431777     180.1512 13.76783 188.2183 13.28983 -8.067017      19.13564 
1 1 1 2  6  52  o 326.0757 9.552280 7.400208       0.4300941     7.151217       0.6050015     7.654612       0.6115410     319.1819 13.72714 330.3503 13.40642 -11.16840      19.18767 
1 1 1 2  6  53  o 230.3660 9.466930 3.692538       0.3011379     3.634756       0.4247453     3.750939       0.4270104     227.2355 13.59923 230.8976 13.45137 -3.662140      19.12794 
1 1 1 2  6  54  o 136.7946 9.644710 1.308539       0.1810112     1.358336       0.2559255     1.258693       0.2560517     138.5505 13.55074 133.1777 14.14011 5.372787       19.58482 
1 1 1 2  6  55  o 203.4887 9.436427 2.879998       0.2651465     2.845851       0.3744977     2.914320       0.3754516     201.0564 13.56881 203.5082 13.43646 -2.451813      19.09584 
1 1 1 2  6  56  o 131.9903 9.672785 1.218261       0.1750638     1.289820       0.2477343     1.146883       0.2474211     135.0529 13.46394 127.0622 14.35370 7.990761       19.68010 
1 1 1 2  6  57  o 149.1821 9.596926 1.554034       0.1966419     1.606217       0.2778770     1.501687       0.2783109     150.8673 13.48087 145.7095 14.00514 5.157730       19.43908 
1 1 1 2  6  58  o 156.8348 9.641868 1.716974       0.2077935     1.779974       0.2937882     1.653908       0.2939408     158.8743 13.52048 152.9687 14.07401 5.905579       19.51618 
1 1 1 2  6  59  o 93.44969 10.53915 0.6156757      0.1336194     0.5731941      0.1873367     0.6596683      0.1906394     88.99014 15.82547 95.84865 14.88720 -6.858505      21.72727 
1 1 1 2  6  60  o 169.1476 9.602909 1.995856       0.2233637     1.836077       0.3138592     2.159825       0.3179483     161.2017 14.24693 175.1934 13.24096 -13.99168      19.44988 
1 1 1 2  6  61  o 176.0788 9.594401 2.162316       0.2323922     2.067052       0.3269880     2.259544       0.3303423     171.1792 13.95529 179.1510 13.45208 -7.971786      19.38320 
1 1 1 2  6  62  f 168.2029 9.651996 1.974190       0.2232374     1.827895       0.3137183     2.124251       0.3177308     160.8064 14.27707 173.6848 13.35049 -12.87837      19.54662 
1 1 1 2  6  63  o 74.45421 10.97308 0.3945076      0.1094297     0.4514885      0.1551456     0.3380941      0.1543711     78.94862 14.77478 67.89975 16.60325 11.04887       22.22526 
1 1 1 2  6  64  o 75.12720 11.41601 0.4025874      0.1146995     0.3568536      0.1605565     0.4502543      0.1639148     69.70715 16.86392 78.63280 15.64689 -8.925652      23.00472 
1 1 1 2  6  65  o 55.92511 13.50362 0.2280236      0.1030981     0.1908967      0.1610465     0.2538051      0.1342025     53.62091 18.21417 58.99792 16.04804 -5.377003      24.27541 
1 1 1 2  6  66  o 145.3653 14.16107 1.498976       0.2806368     1.606406       0.5137617     1.453290       0.3350370     146.0586 26.44770 142.1436 17.43533 3.915009       31.67762 
1 1 1 2  6  67  o 172.8185 11.89042 2.099321       0.2820166     2.091590       0.4120461     2.106133       0.3868123     170.6689 17.74391 171.7035 16.51870 -1.034531      24.24281 
1 1 1 2  6  68  o 109.3775 12.14846 0.8479487      0.1803796     0.9830060      0.2599832     0.7225910      0.2504732     116.6594 16.60833 99.02128 19.00987 17.63814       25.24305 
1 1 1 2  6  69  o 224.8096 10.44384 3.529267       0.3242000     3.540977       0.5088921     3.521268       0.4205989     222.6721 16.67191 223.2481 13.71036 -0.5760498     21.58533 
1 1 1 2  6  70  o 78.59828 11.30404 0.4410029      0.1191532     0.3940904      0.1664393     0.4903228      0.1706561     73.01952 16.84989 81.89263 15.66249 -8.873108      23.00505 
1 1 1 2  6  71  o 65.99923 12.64622 0.3161032      0.1110536     0.1759215      0.1545136     0.4658966      0.1597229     51.66198 17.83278 79.88525 15.03145 -28.22327      23.32279 
1 1 1 2  6  72  o 115.6168 9.518112 0.9390992      0.1506032     0.9824182      0.2298249     0.9064980      0.1993759     116.9724 14.54296 112.7246 13.05038 4.247780       19.53996 
1 1 1 2  6  73  o 132.6912 9.296639 1.234488       0.1692599     1.188194       0.2599311     1.268570       0.2230245     128.6319 14.91083 133.7920 12.20653 -5.160187      19.26998 
1 1 1 2  6  74  o 257.1549 8.982374 4.612454       0.3189510     4.584214       0.4901221     4.633198       0.4200675     254.1626 14.01966 256.7695 11.84780 -2.606888      18.35542 
1 1 1 2  6  75  o 59.60370 11.19243 0.2570194      0.8873338E-01 0.1797353      0.1263490     0.3322321      0.1246443     50.51828 16.08484 67.37115 13.86105 -16.85287      21.23325 
1 1 1 2  6  76  o 298.2817 8.431772 6.199933       0.3472830     6.087119       0.4908193     6.313035       0.4914459     294.1284 12.08500 299.6323 11.87816 -5.503845      16.94514 
1 1 1 2  6  77  o 145.6841 9.491382 1.488920       0.1898897     1.379578       0.2488697     1.641277       0.2937703     139.2044 13.10150 151.5523 14.20376 -12.34790      19.32346 
1 1 1 2  6  78  o 230.6927 9.107551 3.715602       0.2901171     3.764851       0.3820938     3.648559       0.4458119     230.9722 12.02197 226.3356 14.33872 4.636551       18.71167 
1 1 1 2  6  79  f 139.5950 9.682025 1.369054       0.1854734     1.364670       0.2435412     1.375108       0.2861872     138.4575 12.88645 138.1708 15.25452 0.2867126      19.96900 
1 1 1 2  6  80  o 71.87521 11.93587 0.3728681      0.1143044     0.3808508      0.1477940     0.3609856      0.1803153     71.81300 15.36868 69.43255 18.48113 2.380447       24.03640 
1 1 1 2  6  81  o 110.7031 9.953934 0.8646205      0.1505306     0.9240544      0.1977422     0.7827148      0.2321347     113.7025 12.81848 103.2339 16.86732 10.46862       21.18537 
1 1 1 2  6  82  o 164.4581 9.533562 1.897807       0.2155664     1.967737       0.2835979     1.802117       0.3317472     166.5525 12.42076 158.2236 15.37873 8.328949       19.76817 
1 1 1 2  6  83  o 123.6616 10.09350 1.078234       0.1708481     1.131699       0.2233119     1.002766       0.2653114     125.8579 13.03887 117.0553 16.90426 8.802513       21.34868 
1 1 1 2  6  84  o 188.7207 9.510597 2.498000       0.2470400     2.492384       0.3238013     2.505821       0.3821354     187.4161 12.58522 186.9060 14.93126 0.5101166      19.52768 
1 1 1 2  6  85  o 131.2307 10.02076 1.213966       0.1802100     1.142157       0.2335701     1.319587       0.2832717     126.1689 13.62305 135.0137 15.47391 -8.844788      20.61624 
1 1 1 2  6  86  o 87.88924 11.84381 0.5543422      0.1400759     0.5168282      0.1798162     0.6122429      0.2233957     83.51691 16.17689 90.26714 18.54325 -6.750221      24.60781 
1 1 1 2  6  87  o 124.6669 10.25770 1.098970       0.1750121     1.072164       0.2272196     1.138067       0.2744161     122.0041 13.72589 124.7109 16.32772 -2.706734      21.33060 
1 1 1 2  6  88  o 113.1392 12.16976 0.9168505      0.1871325     1.052774       0.2461072     0.7305569      0.2881222     120.1921 15.16659 97.05198 22.00670 23.14017       26.72677 
1 1 1 2  6  89  o 110.1993 13.91937 0.8821064      0.2070809     0.9393479      0.3193104     0.8405561      0.2720479     110.1545 21.76475 105.1779 19.44831 4.976692       29.18802 
1 1 1 2  6  90  o 49.19383 15.98722 0.1731617      0.1243553     0.2619083      0.1978997     0.1152547      0.1598582     59.96857 20.19180 46.15123 17.77347 13.81734       26.89991 
1 1 1 2  6  91  o 66.97294 13.39805 0.3333755      0.1195753     0.4061162      0.1926841     0.2878164      0.1524911     72.25134 19.04418 61.41058 17.26371 10.84076       25.70440 
1 1 1 2  6  92  o 63.71522 15.21022 0.3086891      0.1319657     0.3669989      0.1798334     0.2406519      0.1942552     68.56371 18.54666 57.53620 19.98736 11.02751       27.26671 
1 1 1 2  6  93  o 58.94894 16.07771 0.2674509      0.1344875     0.1143293      0.1643046     0.5783122      0.2341072     45.81148 17.91313 84.92479 20.24901 -39.11331      27.03521 
1 1 1 2  6  94  o 33.05717 12.51062 0.6073482E-01  0.7833245E-01 0.2171767E-01  0.1134193     0.9631882E-01  0.1083145     33.77153 14.23570 39.69395 14.77538 -5.922413      20.51748 
1 1 1 2  6  95  o 95.89967 11.04902 0.6710287      0.1436359     0.8410355      0.2109842     0.5241688      0.1960957     105.3400 14.92236 81.15073 17.97373 24.18929       23.36091 
1 1 1 2  6  96  o 100.5131 11.16054 0.7396974      0.1522827     0.7143804      0.2234931     0.7616376      0.2080552     94.90486 17.70573 99.40913 15.67650 -4.504265      23.64837 
1 1 1 2  6  97  o 41.70667 14.32977 0.1240307      0.9971564E-01 0.1580056      0.1463604     0.9459923E-01  0.1362231     47.39786 17.25479 41.39453 16.27363 6.003330       23.71832 
1 1 1 2  6  98  o 45.60264 14.53348 0.1572728      0.1031333     0.2106863      0.1520598     0.1117702      0.1403483     52.22513 17.69888 42.99014 16.62619 9.234989       24.28334 
1 1 1 2  6  99  o 28.26409 12.14013 0.4470020E-02  0.8520430E-01 0.8823125E-01  0.1246029     -0.6909397E-01 0.1167721     39.75639 15.58454 28.22846 12.99388 11.52793       20.29086 
1 1 1 2  6  100 o 58.97443 14.25935 0.2720709      0.1148411     0.4012267      0.1684260     0.1598510      0.1569954     70.16225 17.45580 47.73827 17.78477 22.42399       24.91994 
1 1 1 2  6  101 o 30.92140 12.97086 0.2313796E-01  0.9341893E-01 0.1328827      0.1325508     -0.8517289E-01 0.1316821     44.14345 16.36215 29.43769 13.63801 14.70576       21.30059 
1 1 1 2  6  102 o 29.62578 12.07338 0.3194372E-01  0.7781679E-01 0.4693786E-01  0.1073684     0.1535244E-01  0.1129421     34.59005 14.14880 32.80318 14.03033 1.786877       19.92583 
1 1 1 2  6  103 o 87.61040 11.99342 0.5735307      0.1412802     0.6415933      0.2017364     0.5080194      0.1979191     89.62011 16.92228 78.43137 18.56359 11.18874       25.11913 
1 1 1 2  6  104 o 43.48740 14.94140 0.1384861      0.1084093     0.1300056      0.1556501     0.1464758      0.1510798     45.22758 17.50417 46.29145 17.40688 -1.063869      24.68594 
1 1 1 2  6  105 o 109.0858 12.03561 0.8881594      0.1782719     0.6907883      0.2745146     1.032102       0.2344324     88.11517 22.48711 115.3475 15.07978 -27.23229      27.07526 
1 1 1 2  6  106 o 46.06297 16.11667 0.1594225      0.1264108     -0.1231108     0.1930135     0.3716387      0.1672793     34.67529 16.21411 66.75902 17.81529 -32.08372      24.08904 
1 1 1 2  6  107 o 108.9781 12.06681 0.8966529      0.1785331     0.7732129      0.2748761     0.9867235      0.2348013     92.54682 21.85850 111.2499 15.72301 -18.70308      26.92595 
1 1 1 2  6  108 o 47.27449 16.39605 0.1783352      0.1306940     0.3204620      0.1863395     0.4072427E-01  0.1833552     59.96214 19.57418 40.23478 17.54313 19.72736       26.28517 
1 1 1 2  6  109 o 32.45248 14.83998 -0.4355271E-01 0.1489041     0.2124169      0.2094959     -0.3049009     0.2116855     50.71232 20.10322 30.27988 14.84991 20.43244       24.99319 
1 1 1 2  6  110 o 46.19341 20.51491 0.1179856      0.2616586     0.000000       0.000000      0.1179856      0.2616586     ?        ?        46.19341 20.51491 0.000000       20.51491 
1 1 1 2  6  111 o ?        ?        -0.5974151     0.7272815E-01 0.000000       0.000000      -0.5974151     0.7272815E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 2  6  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  0   o 249.9924 16.35935 4.385929       0.5591695     4.547167       0.8013734     4.232939       0.7806058     252.4935 23.45004 243.2784 23.75767 0.000000       0.000000 
1 1 1 2  7  1   o 309.2363 13.21916 6.634716       0.5644590     6.245659       0.6896148     7.424493       0.9825441     299.1293 16.76341 324.9984 22.02441 -25.86905      27.67827 
1 1 1 2  7  2   o 218.6561 13.09994 3.328635       0.3936985     3.597642       0.4871308     2.821994       0.6685207     226.9613 15.63920 198.9759 24.87546 27.98541       29.38321 
1 1 1 2  7  3   o 294.0681 16.11092 6.032146       0.6517040     6.120796       0.9229485     5.943993       0.9203544     294.7171 22.85836 290.3288 23.15007 4.388245       32.53352 
1 1 1 2  7  4   o 201.5428 16.06672 2.842743       0.4434136     3.170449       0.6289951     2.518995       0.6251853     211.7728 21.82252 187.8459 24.70190 23.92693       32.96068 
1 1 1 2  7  5   o 424.2509 13.55679 12.49300       0.7941773     11.89089       0.9653629     13.75380       1.396930      413.2900 16.91600 442.3918 22.94689 -29.10172      28.50808 
1 1 1 2  7  6   o 136.5487 13.19691 1.305783       0.2457254     1.242428       0.3007090     1.433108       0.4262955     132.5666 16.80491 141.3334 22.60562 -8.766861      28.16769 
1 1 1 2  7  7   o 192.7983 13.06296 2.591089       0.3457105     2.747152       0.4242668     2.282726       0.5963785     198.1489 15.63333 178.5756 24.86019 19.57327       29.36716 
1 1 1 2  7  8   o 333.4291 11.46238 7.706347       0.5277352     8.150713       0.7480163     7.265965       0.7446557     342.2901 15.82628 322.6046 16.77443 19.68552       23.06193 
1 1 1 2  7  9   o 197.8305 11.28823 2.721456       0.3070813     2.687709       0.4330483     2.755589       0.4355192     195.8637 16.15614 198.3589 16.03797 -2.495163      22.76483 
1 1 1 2  7  10  o 221.4045 11.27160 3.406651       0.3434562     3.558712       0.4857355     3.254608       0.4857054     225.6285 15.68835 215.5902 16.43963 10.03835       22.72412 
1 1 1 2  7  11  o 440.7674 11.70732 13.47238       0.7125331     12.96456       0.9999907     13.99611       1.015537      431.3780 16.78804 448.3024 16.40540 -16.92441      23.47286 
1 1 1 2  7  12  o 53.53678 12.41898 0.2068534      0.9002881E-01 0.2203247      0.1266284     0.1930837      0.1280230     55.56289 15.77113 52.62169 16.10923 2.941196       22.54409 
1 1 1 2  7  13  o 79.10345 11.96390 0.4437594      0.1265975     0.4357125      0.1789307     0.4518253      0.1791413     77.56265 17.16131 79.03436 16.92528 -1.471710      24.10344 
1 1 1 2  7  14  o 99.56765 11.63368 0.6969230      0.1569303     0.7232232      0.2220234     0.6706654      0.2218426     100.5840 16.56231 96.64615 17.25662 3.937828       23.91863 
1 1 1 2  7  15  o 165.2088 11.31409 1.901826       0.2565473     1.983864       0.3626504     1.819641       0.3629752     168.0355 15.81573 160.7217 16.59436 7.313828       22.92401 
1 1 1 2  7  16  o 327.6771 11.44107 7.449149       0.5176671     7.486397       0.7315260     7.411786       0.7326589     327.7061 16.16617 326.0481 16.27354 1.657990       22.93847 
1 1 1 2  7  17  o 299.8054 11.37833 6.236670       0.4710380     6.261021       0.6661566     6.212322       0.6661400     299.2061 16.18399 298.0210 16.24887 1.185089       22.93355 
1 1 1 2  7  18  o 97.95134 11.68054 0.6753410      0.1548675     0.7393038      0.2193601     0.6117782      0.2186731     101.7348 16.15531 92.02521 17.85290 9.709564       24.07738 
1 1 1 2  7  19  o 237.4142 11.30815 3.912075       0.3707117     4.054753       0.5259454     3.771205       0.5226016     240.5756 15.92259 231.8642 16.42935 8.711426       22.87908 
1 1 1 2  7  20  o 152.9462 11.34100 1.632664       0.2378062     1.494425       0.3356199     1.772044       0.3370019     145.2694 17.05606 158.6503 15.58460 -13.38086      23.10387 
1 1 1 2  7  21  o 257.0991 11.31727 4.589346       0.4017724     4.593032       0.5683686     4.585666       0.5680155     255.9664 16.16388 255.7592 16.16708 0.2071838      22.86144 
1 1 1 2  7  22  o 385.8755 11.60631 10.34346       0.6184140     10.54872       0.8771676     10.14062       0.8719943     388.5177 16.35060 380.8631 16.58085 7.654602       23.28662 
1 1 1 2  7  23  o 223.8585 11.34914 3.489772       0.3496648     3.507252       0.4946068     3.472306       0.4943947     223.4494 16.13892 222.3079 16.21764 1.141495       22.87961 
1 1 1 2  7  24  o 135.9385 11.47070 1.293046       0.2133018     1.193781       0.3011728     1.392948       0.3021382     129.4550 17.27981 140.3117 15.87379 -10.85675      23.46421 
1 1 1 2  7  25  o 336.9995 11.55355 7.894723       0.5376289     7.832608       0.7582610     7.957520       0.7624002     334.5114 16.41609 337.1797 16.37508 -2.668243      23.18688 
1 1 1 2  7  26  o 110.4939 11.65450 0.8583755      0.1751332     0.8886777      0.2469203     0.8276994      0.2484382     111.4696 16.54416 107.3160 17.35814 4.153557       23.97945 
1 1 1 2  7  27  o 175.8587 11.40592 2.159981       0.2754752     2.212915       0.3889482     2.106702       0.3902164     177.0219 16.08772 172.5662 16.58025 4.455643       23.10237 
1 1 1 2  7  28  o 80.63021 12.21748 0.4628263      0.1317630     0.4001483      0.1854312     0.5267499      0.1872644     73.95581 18.26599 85.26147 16.50261 -11.30566      24.61671 
1 1 1 2  7  29  o 311.6938 13.31826 6.783031       0.5732097     6.749560       0.7004445     6.850894       0.9973753     309.6095 16.44300 308.8081 23.56806 0.8014526      28.73718 
1 1 1 2  7  30  o 54.71163 16.73721 0.2112922      0.1382268     0.2893315      0.1983110     0.1375520      0.1927712     64.09264 20.12103 51.67997 19.60971 12.41268       28.09620 
1 1 1 2  7  31  o 156.4866 24.31200 1.796252       0.5082846     0.000000       0.000000      1.796252       0.5082846     ?        ?        156.4866 24.31200 0.000000       24.31200 
1 1 1 2  7  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  33  o 132.8563 16.55693 1.261518       0.2971473     1.120664       0.4199086     1.402805       0.4205516     122.3626 25.67141 138.2589 22.82523 -15.89629      34.35131 
1 1 1 2  7  34  o 250.5108 16.26446 4.439685       0.5595613     4.765559       0.7970994     4.123064       0.7857019     256.7124 22.72151 237.9017 24.25721 18.81070       33.23671 
1 1 1 2  7  35  o 84.89912 12.40372 0.5140638      0.1411194     0.5556987      0.1988626     0.4718287      0.2002911     87.25478 17.11686 80.02438 18.49653 7.230408       25.20136 
1 1 1 2  7  36  o 419.7816 11.82614 12.30992       0.6854953     12.44328       0.9723121     12.17812       0.9665869     419.5735 16.78262 415.0306 16.86641 4.542847       23.79353 
1 1 1 2  7  37  o 171.9839 11.54193 2.074663       0.2725081     1.928921       0.3843265     2.222022       0.3864515     164.2287 17.20312 176.7716 16.00592 -12.54282      23.49759 
1 1 1 2  7  38  o 152.3560 11.61633 1.630934       0.2425389     1.616991       0.3428622     1.644899       0.3431414     150.2947 16.80891 151.6460 16.66186 -1.351242      23.66763 
1 1 1 2  7  39  o 151.4305 11.68100 1.612088       0.2423611     1.688455       0.3424301     1.535436       0.3430716     153.7028 16.38704 146.1989 17.33177 7.503952       23.85216 
1 1 1 2  7  40  o 265.6653 11.52493 4.933118       0.4227766     4.979020       0.5977374     4.887167       0.5980555     264.7631 16.43103 262.2244 16.60266 2.538696       23.35867 
1 1 1 2  7  41  o 196.1673 11.56851 2.698932       0.3119720     2.688202       0.4406401     2.709716       0.4417520     194.1932 16.59208 194.9847 16.56421 -0.7915497     23.44505 
1 1 1 2  7  42  o 153.0098 11.68980 1.645970       0.2451127     1.725266       0.3466286     1.566661       0.3466547     155.3590 16.40624 147.6776 17.32924 7.681458       23.86351 
1 1 1 2  7  43  o 104.0605 12.25205 0.7677960      0.1726757     0.7384527      0.2435270     0.7974660      0.2448792     100.4917 18.22106 104.7148 17.55730 -4.223091      25.30347 
1 1 1 2  7  44  o 362.7423 11.73842 9.196271       0.5879573     9.181661       0.8305922     9.210946       0.8324053     360.2215 16.69860 360.7903 16.70868 -0.5687561     23.62251 
1 1 1 2  7  45  o 179.3426 11.64268 2.256141       0.2867600     2.333125       0.4058832     2.179418       0.4051975     181.0102 16.41765 174.7019 17.01284 6.308289       23.64267 
1 1 1 2  7  46  o 196.8970 11.63123 2.717078       0.3148262     2.788098       0.4451471     2.646003       0.4453158     198.0209 16.42837 192.7126 16.90560 5.308258       23.57309 
1 1 1 2  7  47  o 268.1032 11.61500 5.019661       0.4299907     5.020494       0.6071734     5.018822       0.6090283     266.0719 16.60931 266.0035 16.66518 0.6845093E-01  23.52866 
1 1 1 2  7  48  o 189.6821 11.64394 2.521115       0.3035003     2.438210       0.4285005     2.604574       0.4299315     185.0071 16.96242 191.4416 16.42290 -6.434479      23.61007 
1 1 1 2  7  49  o 89.21101 12.78355 0.5675787      0.1529724     0.5884304      0.2158061     0.5465210      0.2168690     89.63401 18.06040 86.17004 18.75870 3.463966       26.03972 
1 1 1 2  7  50  o 147.0730 11.93639 1.519945       0.2403151     1.471832       0.3396387     1.568182       0.3400756     143.2745 17.53352 148.1311 16.93024 -4.856583      24.37329 
1 1 1 2  7  51  o 254.9028 9.444361 4.517519       0.3324185     4.368334       0.4688206     4.668359       0.4714117     249.3505 13.66837 257.9176 13.28184 -8.567062      19.05864 
1 1 1 2  7  52  o 114.8324 10.08054 0.9245421      0.1582229     0.8100442      0.2219860     1.042777       0.2255792     106.2469 15.59529 121.2671 13.71250 -15.02013      20.76646 
1 1 1 2  7  53  o 239.5952 9.499027 3.991310       0.3142644     3.815399       0.4420186     4.171124       0.4468956     232.9618 13.80251 243.7598 13.32768 -10.79799      19.18687 
1 1 1 2  7  54  o 110.8686 9.856166 0.8616705      0.1493143     0.7111143      0.2096298     1.016712       0.2127289     99.36875 15.80744 119.8743 13.06324 -20.50554      20.50666 
1 1 1 2  7  55  o 203.1361 9.543684 2.869301       0.2676956     2.701048       0.3761242     3.042020       0.3810818     195.8151 14.00304 208.0506 13.33534 -12.23544      19.33692 
1 1 1 2  7  56  o 256.3632 9.502691 4.570196       0.3363878     4.767968       0.4763123     4.373397       0.4751384     260.6422 13.27854 249.4161 13.85065 11.22610       19.18750 
1 1 1 2  7  57  o 108.5118 9.985579 0.8262590      0.1479408     0.9545724      0.2099166     0.6996353      0.2085300     116.0209 13.34620 98.50049 15.87104 17.52041       20.73670 
1 1 1 2  7  58  o 236.6071 10.48498 3.900589       0.3425575     4.164738       0.5465479     3.729684       0.4396228     242.3723 16.42780 230.1772 13.89701 12.19505       21.51743 
1 1 1 2  7  59  o 139.2627 10.87732 1.360653       0.2075078     1.349343       0.2654184     1.378434       0.3328049     137.9294 14.13561 138.3640 17.83438 -0.4346466     22.75699 
1 1 1 2  7  60  o 120.8929 15.26609 1.045514       0.2491584     0.3303722      0.4328857     1.399802       0.3046882     76.49326 29.29938 139.9116 16.06235 -63.41838      33.41336 
1 1 1 2  7  61  o 50.68820 17.46721 0.1675108      0.1482133     0.2766659      0.2544191     0.1114368      0.1823511     65.00034 22.85746 48.70377 18.91912 16.29657       29.67148 
1 1 1 2  7  62  o 241.9871 16.60536 4.169230       0.5514966     4.075437       0.7855859     4.260374       0.7744023     235.1025 24.56168 241.0146 23.57113 -5.912094      34.04224 
1 1 1 2  7  63  f 142.6751 12.24114 1.436869       0.2388261     1.354158       0.4707217     1.465541       0.2771462     133.4032 26.48829 143.5791 14.16366 -10.17590      30.03729 
1 1 1 2  7  64  o 125.0406 12.39117 1.107337       0.2111278     0.8803252      0.4166004     1.185791       0.2449076     106.6021 27.95670 129.0091 13.97137 -22.40694      31.25342 
1 1 1 2  7  65  o 125.3133 11.17786 1.107664       0.1913860     1.022341       0.3071200     1.161834       0.2447104     117.8198 19.56405 127.5791 14.12823 -9.759369      24.13211 
1 1 1 2  7  66  o 203.4723 10.69488 2.904347       0.2994283     2.835916       0.4771033     2.948815       0.3846028     198.4079 17.59729 203.9921 13.73399 -5.584167      22.32235 
1 1 1 2  7  67  o 153.4149 11.08695 1.657276       0.2332833     1.643578       0.3705032     1.666273       0.3002792     150.3421 18.21939 152.8231 14.39956 -2.480972      23.22270 
1 1 1 2  7  68  o 143.5605 11.11725 1.452976       0.2186607     1.447117       0.3476193     1.456811       0.2812767     140.8479 18.30654 142.7418 14.47069 -1.893890      23.33517 
1 1 1 2  7  69  o 116.6984 10.44019 0.9604869      0.1664558     0.9153723      0.2327896     1.007687       0.2381085     112.5248 15.38535 118.3057 14.90670 -5.780899      21.42238 
1 1 1 2  7  70  o 76.62849 11.74062 0.4215499      0.1202693     0.2942488      0.1681060     0.5550318      0.1721386     63.16972 18.24857 87.33202 14.80345 -24.16230      23.49792 
1 1 1 2  7  71  o 97.00536 11.13841 0.6683649      0.1464902     0.7464917      0.2094476     0.5935488      0.2049621     101.3730 15.45149 89.65806 17.18106 11.71494       23.10709 
1 1 1 2  7  72  f 67.36756 12.35208 0.3291237      0.1106679     0.3257036      0.1593081     0.3323135      0.1538507     66.18014 17.25527 66.87850 16.70821 -0.6983643     24.01892 
1 1 1 2  7  73  o 170.2661 10.10978 2.035849       0.2366226     1.871979       0.3357361     2.197586       0.3335445     161.5156 15.23372 175.6517 13.86464 -14.13609      20.59841 
1 1 1 2  7  74  o 107.1308 10.89157 0.8130982      0.1588769     0.8141270      0.2263968     0.8120997      0.2230131     105.6905 16.01476 105.6363 15.77214 0.5413055E-01  22.47738 
1 1 1 2  7  75  o 204.2491 9.935085 2.919732       0.2802011     3.174051       0.3998633     2.674368       0.3927605     211.2296 13.78499 193.3698 14.82245 17.85980       20.24181 
1 1 1 2  7  76  o 121.9079 10.64782 1.049952       0.1774396     0.9929129      0.2523020     1.105773       0.2495947     116.8520 16.06144 123.8318 14.89589 -6.979858      21.90565 
1 1 1 2  7  77  o 45.38764 14.59892 0.1436307      0.1038814     0.1727010      0.1480059     0.1154055      0.1458390     50.79724 17.45783 45.55015 17.10735 5.247089       24.44253 
1 1 1 2  7  78  o 68.65750 11.92572 0.3410935      0.1089582     0.2992642      0.1398363     0.4057344      0.1738337     63.47393 15.96861 73.67813 17.36992 -10.20420      23.59471 
1 1 1 2  7  79  o 64.13604 12.44367 0.2997491      0.1062262     0.3299029      0.1305273     0.2406090      0.1827982     66.87897 14.54825 58.46058 19.40205 8.418388       24.25059 
1 1 1 2  7  80  o 50.80513 13.11634 0.1895686      0.9264684E-01 0.2646615      0.1146663     0.4837137E-01  0.1572351     59.87644 14.10165 41.50980 17.06707 18.36663       22.13914 
1 1 1 2  7  81  o 77.91219 11.82428 0.4371504      0.1232136     0.4336758      0.1520411     0.4437982      0.2103046     76.75487 14.88271 76.48154 19.76961 0.2733307      24.74536 
1 1 1 2  7  82  o 99.01545 10.92858 0.6977454      0.1469287     0.7340427      0.1815048     0.6287432      0.2502554     100.8714 13.35986 90.81690 20.44860 10.05448       24.42603 
1 1 1 2  7  83  o 87.95998 11.88961 0.5560929      0.1407070     0.4389697      0.1813602     0.7331991      0.2230167     76.35547 17.56681 99.50837 16.83098 -23.15290      24.32848 
1 1 1 2  7  84  o 120.0727 14.58374 1.047017       0.2368338     1.215803       0.4070111     0.9606113      0.2912116     124.4408 24.55875 112.8847 19.38062 11.55609       31.28483 
1 1 1 2  7  85  o 67.38702 16.09936 0.3417678      0.1477530     0.3483337      0.2664031     0.3388509      0.1775659     68.65230 23.42577 66.74474 18.58190 1.907555       29.90073 
1 1 1 2  7  86  o 157.7853 10.84499 1.770823       0.2348490     1.755597       0.3069651     1.792315       0.3647006     155.3513 14.47659 155.3377 17.29655 0.1361084E-01  22.55531 
1 1 1 2  7  87  o 82.85060 12.92626 0.5032800      0.1430515     0.5307779      0.2270591     0.4851820      0.1842071     82.21951 20.15551 79.67320 17.24419 2.546310       26.52558 
1 1 1 2  7  88  o 151.9526 12.69603 1.673155       0.2639473     1.705778       0.3690498     1.638993       0.3776546     149.8423 18.21098 146.1476 19.17678 3.694687       26.44596 
1 1 1 2  7  89  o 48.35411 14.95372 0.1736904      0.1099975     0.1156560      0.1352704     0.2869708      0.1889894     43.77348 16.46884 60.95996 19.69987 -17.18648      25.67698 
1 1 1 2  7  90  o 81.59218 11.98166 0.4900845      0.1309696     0.5217642      0.1854676     0.4585741      0.1849716     81.90433 16.95759 76.23067 17.88153 5.673660       24.64364 
1 1 1 2  7  91  o 73.64803 12.48324 0.4046520      0.1224140     0.4448025      0.1799467     0.3700649      0.1670147     74.82080 17.69511 68.20945 17.61113 6.611351       24.96535 
1 1 1 2  7  92  o 50.41850 12.78884 0.1936231      0.8917057E-01 0.1749034      0.1311449     0.2097189      0.1216070     48.55807 16.43678 52.08175 15.64808 -3.523685      22.69427 
1 1 1 2  7  93  o 69.40670 12.45762 0.3626691      0.1150045     0.4186281      0.1696734     0.3151130      0.1564161     72.28423 17.24103 62.60807 17.44371 9.676159       24.52624 
1 1 1 2  7  94  o 40.52214 13.79096 0.1174772      0.9232717E-01 0.1909404      0.1362450     0.5509431E-01  0.1255504     50.02951 16.75423 37.27228 15.27916 12.75723       22.67502 
1 1 1 2  7  95  o 24.71790 10.02933 0.2098129E-01  0.5341255E-01 0.3940799E-01  0.7885511E-01 0.5359894E-02  0.7260489E-01 30.55345 12.25981 26.37392 11.26403 4.179529       16.64876 
1 1 1 2  7  96  o 77.92306 12.41661 0.4575472      0.1291164     0.4653689      0.1797488     0.4492093      0.1855876     75.67584 17.54354 73.86134 18.29244 1.814499       25.34540 
1 1 1 2  7  97  o 17.14354 8.268796 -0.8676856E-01 0.5858227E-01 -0.4175296E-01 0.8084001E-01 -0.1365517     0.8501312E-01 24.15779 11.00313 20.05632 9.741819 4.101473       14.69598 
1 1 1 2  7  98  o 101.1245 11.08265 0.7538490      0.1522176     0.7145798      0.2101870     0.7971594      0.2207367     94.85577 16.65499 100.4100 16.49344 -5.554230      23.43977 
1 1 1 2  7  99  o 111.6450 12.02518 0.9266380      0.1824577     1.101001       0.2595990     0.7564167      0.2564973     118.4846 16.29884 94.89928 20.19430 23.58532       25.95115 
1 1 1 2  7  100 o 86.36256 14.13950 0.5732388      0.1627788     0.5189378      0.2278502     0.6298430      0.2326321     77.70488 20.81650 86.57665 19.87912 -8.871773      28.78378 
1 1 1 2  7  101 o 233.7227 10.39921 3.966834       0.3356133     4.171846       0.4753750     3.763104       0.4738863     233.5125 14.81986 220.4943 15.66660 13.01822       21.56550 
1 1 1 2  7  102 o 112.1717 12.16715 0.9416317      0.1854346     0.8903342      0.2611073     0.9938325      0.2633959     103.7173 18.92932 110.6865 17.84004 -6.969185      26.01127 
1 1 1 2  7  103 o 158.2579 11.03880 1.850593       0.2397158     1.834126       0.3381821     1.867222       0.3398427     151.7863 16.39585 153.2625 16.30903 -1.476196      23.12593 
1 1 1 2  7  104 o 58.73199 17.79034 0.2927429      0.1567143     0.3266664      0.2150868     0.2543545      0.2288037     60.56138 21.03215 55.48329 21.28948 5.078094       29.92646 
1 1 1 2  7  105 o 147.4236 16.95733 1.807116       0.3389057     2.501430       0.6072045     1.492955       0.4084450     148.5980 30.61148 122.6431 24.96738 25.95487       39.50231 
1 1 1 2  7  106 o 68.79446 23.11522 0.4974003      0.2593476     0.8143027      0.4079135     0.2823820      0.3360027     78.50772 28.77149 55.66090 24.00934 22.84682       37.47328 
1 1 1 2  7  107 o 77.85796 28.61113 0.8732476      0.4037708     0.000000       0.000000      0.8732476      0.4037708     ?        ?        77.85796 28.61113 0.000000       28.61113 
1 1 1 2  7  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  0   o 174.0234 16.65547 2.165041       0.3918026     2.098990       0.5493100     2.233443       0.5590025     167.3996 25.52530 173.3286 24.83490 -0.000000      0.000000 
1 1 1 2  8  1   o 182.9718 13.24887 2.348449       0.3324693     2.018806       0.4057229     3.022277       0.5800716     168.4915 17.70338 205.5394 20.72119 -37.04785      27.25394 
1 1 1 2  8  2   f 187.8785 13.18591 2.475167       0.3399110     2.441096       0.4183068     2.541393       0.5831990     185.7737 16.47798 187.5267 23.00491 -1.752975      28.29752 
1 1 1 2  8  3   o 229.1284 13.23718 3.676288       0.4170216     3.986508       0.5153896     3.088089       0.7096815     237.9442 15.77585 205.9624 25.49882 31.98183       29.98445 
1 1 1 2  8  4   o 113.6322 16.81083 0.9258190      0.2558109     0.7915952      0.3604564     1.062019       0.3631007     103.0184 25.48093 120.2780 22.69475 -17.25961      34.12227 
1 1 1 2  8  5   o 216.1662 16.16647 3.297126       0.4790548     3.154569       0.6725729     3.443926       0.6825080     208.8438 23.74488 218.6314 22.95013 -9.787567      33.02314 
1 1 1 2  8  6   o 360.2057 13.50659 9.062960       0.6717910     8.495860       0.8181222     10.23686       1.177073      347.5623 17.04699 378.2716 22.63923 -30.70935      28.33962 
1 1 1 2  8  7   o 144.9283 13.34082 1.478862       0.2639796     1.447720       0.3242200     1.540108       0.4546778     142.5790 16.79001 145.1281 23.49176 -2.549088      28.87502 
1 1 1 2  8  8   o 206.9443 13.24290 3.002709       0.3764356     2.860368       0.4606745     3.288742       0.6530364     201.0352 16.74764 213.6671 22.47081 -12.63197      28.02536 
1 1 1 2  8  9   o 307.7885 16.33592 6.674974       0.6917930     6.636609       0.9778544     6.713417       0.9788324     303.6689 23.50343 305.4940 23.38178 -1.825104      33.15296 
1 1 1 2  8  10  o 99.13242 23.91216 0.7316061      0.3235373     0.000000       0.000000      0.7316061      0.3235373     ?        ?        99.13242 23.91216 0.000000       23.91216 
1 1 1 2  8  11  o 94.81941 23.75352 0.6691950      0.3103486     0.000000       0.000000      0.6691950      0.3103486     ?        ?        94.81941 23.75352 0.000000       23.75352 
1 1 1 2  8  12  o 185.6011 23.68252 2.506064       0.5931069     0.000000       0.000000      2.506064       0.5931069     ?        ?        185.6011 23.68252 0.000000       23.68252 
1 1 1 2  8  13  o 210.7576 16.27357 3.141633       0.4699236     0.000000       0.000000      3.141633       0.4699236     ?        ?        210.7576 16.27357 0.000000       16.27357 
1 1 1 2  8  14  o 393.6151 16.59184 10.90826       0.9017877     0.000000       0.000000      10.90826       0.9017877     ?        ?        393.6151 16.59184 0.000000       16.59184 
1 1 1 2  8  15  o 351.8520 23.46908 8.923737       1.133692      0.000000       0.000000      8.923737       1.133692      ?        ?        351.8520 23.46908 0.000000       23.46908 
1 1 1 2  8  16  o 277.3356 23.32528 5.558413       0.8849498     0.000000       0.000000      5.558413       0.8849498     ?        ?        277.3356 23.32528 0.000000       23.32528 
1 1 1 2  8  17  o 317.2564 16.35971 7.107868       0.7142380     6.870887       1.006611      7.348150       1.013595      308.0810 23.84818 319.0661 23.16419 -10.98508      33.24628 
1 1 1 2  8  18  o 415.6826 13.66049 12.10227       0.7840906     11.51884       0.9546089     13.31211       1.374656      403.9016 17.11638 429.6425 23.25782 -25.74081      28.87727 
1 1 1 2  8  19  o 350.4197 13.38005 8.598792       0.6474171     8.608734       0.7938485     8.579049       1.118749      349.3650 16.45585 344.1893 23.68365 5.175629       28.83938 
1 1 1 2  8  20  o 422.0374 13.59822 12.48211       0.7924482     12.75350       0.9751815     11.95448       1.359728      425.0526 16.61517 405.8011 24.37921 19.25143       29.50271 
1 1 1 2  8  21  o 244.9318 11.37745 4.186350       0.3847938     4.233002       0.5442365     4.139718       0.5441247     244.4581 16.21501 241.6664 16.40300 2.791687       23.06480 
1 1 1 2  8  22  o 192.0127 11.42046 2.582288       0.3014312     2.604370       0.4260612     2.560159       0.4265154     191.4485 16.27113 189.7493 16.44107 1.699142       23.13133 
1 1 1 2  8  23  f 349.8430 11.57509 8.547229       0.5591592     8.617007       0.7915453     8.477721       0.7899978     349.2654 16.41278 346.3812 16.51709 2.884247       23.28505 
1 1 1 2  8  24  f 173.5149 11.43271 2.111245       0.2723852     2.126709       0.3847078     2.095700       0.3857160     172.7907 16.31716 171.4587 16.49540 1.331970       23.20233 
1 1 1 2  8  25  o 109.0912 11.80734 0.8411689      0.1750225     0.8847991      0.2474295     0.7974755      0.2476090     110.6971 16.70741 104.6841 17.76467 6.013008       24.38690 
1 1 1 2  8  26  o 319.9500 11.56874 7.153343       0.5111001     7.257382       0.7234027     7.049647       0.7222081     319.9357 16.43036 315.1990 16.65266 4.736755       23.39375 
1 1 1 2  8  27  o 324.9605 11.57699 7.380867       0.5194746     7.271904       0.7326259     7.491040       0.7366869     320.0817 16.63346 324.9656 16.47135 -4.883942      23.40892 
1 1 1 2  8  28  o 107.3391 11.85152 0.8152260      0.1727293     0.7591297      0.2432842     0.8722466      0.2452804     101.9742 17.93233 109.8395 16.69798 -7.865326      24.50287 
1 1 1 2  8  29  o 225.7100 11.50881 3.569450       0.3574989     3.297072       0.5022805     3.849104       0.5089448     215.0238 17.05695 232.8851 15.92220 -17.86127      23.33358 
1 1 1 2  8  30  o 208.3406 11.50785 3.042376       0.3297761     3.011611       0.4648912     3.073537       0.4678708     205.6667 16.50916 207.8096 16.43927 -2.142822      23.29811 
1 1 1 2  8  31  o 200.0130 11.53983 2.804710       0.3173564     2.747752       0.4476120     2.862282       0.4500171     196.3562 16.66636 200.5325 16.39538 -4.176300      23.37897 
1 1 1 2  8  32  f 249.5180 11.47767 4.349719       0.3954518     4.242677       0.5574133     4.458185       0.5611114     244.3339 16.62052 250.6221 16.30273 -6.288177      23.28134 
1 1 1 2  8  33  o 214.7641 11.51038 3.230979       0.3400996     3.226067       0.4804054     3.235914       0.4815434     213.0121 16.46072 213.3336 16.47464 -0.3214722     23.28882 
1 1 1 2  8  34  o 251.2819 11.49993 4.410265       0.3990196     4.351921       0.5629050     4.469192       0.5657033     247.5754 16.56159 250.9635 16.41495 -3.388138      23.31816 
1 1 1 2  8  35  o 117.4952 11.83618 0.9741293      0.1894151     0.8427396      0.2665874     1.108085       0.2691782     107.4568 18.64262 124.3406 16.05280 -16.88380      24.60162 
1 1 1 2  8  36  o 309.1215 11.56921 6.673468       0.4938228     6.781247       0.6992109     6.566205       0.6975339     309.4163 16.42423 304.3467 16.66138 5.069550       23.39566 
1 1 1 2  8  37  f 143.0580 11.68868 1.438565       0.2288784     1.564995       0.3236758     1.312123       0.3236900     148.1230 16.08367 134.9817 17.80090 13.14131       23.99076 
1 1 1 2  8  38  o 58.09762 13.40024 0.2457852      0.1053071     0.3166385      0.1482642     0.1736509      0.1495983     65.72154 16.39258 51.41901 17.55442 14.30253       24.01821 
1 1 1 2  8  39  o 289.1626 11.57395 5.836213       0.4621274     5.879544       0.6535242     5.792875       0.6535692     288.1897 16.49120 285.9944 16.62162 2.195313       23.41448 
1 1 1 2  8  40  o 354.5100 11.69332 8.772386       0.5724059     8.650613       0.8083807     8.894839       0.8106326     350.0548 16.72407 355.0498 16.53472 -4.995026      23.51789 
1 1 1 2  8  41  o 209.8687 11.61013 3.082521       0.3351439     3.063092       0.4736723     3.102000       0.4742584     207.7346 16.65320 209.0896 16.56200 -1.354965      23.48678 
1 1 1 2  8  42  o 413.4062 11.87118 11.93015       0.6776556     11.84431       0.9572728     12.01639       0.9594302     409.6056 16.92512 412.6163 16.83949 -3.010681      23.87527 
1 1 1 2  8  43  o 245.4733 11.56810 4.203736       0.3921065     4.123672       0.5535686     4.284356       0.5554811     241.2298 16.72212 246.0059 16.44734 -4.776108      23.45515 
1 1 1 2  8  44  o 169.5246 11.75575 2.014764       0.2734828     2.062153       0.3860008     1.966998       0.3875300     170.2445 16.63262 166.0804 17.14520 4.164032       23.88728 
1 1 1 2  8  45  o 221.9886 11.64794 3.447338       0.3557942     3.498591       0.5040215     3.396430       0.5023206     222.1777 16.54760 218.8215 16.75192 3.356277       23.54675 
1 1 1 2  8  46  o 109.0757 12.29875 0.8412406      0.1820033     0.8441163      0.2587945     0.8384264      0.2560111     107.8744 18.00885 107.5413 17.86734 0.3331299      25.36849 
1 1 1 2  8  47  o 133.7688 12.06113 1.259245       0.2203864     1.248813       0.3123530     1.269587       0.3109982     131.8285 17.59870 133.0106 17.34587 -1.182083      24.71019 
1 1 1 2  8  48  o 304.8320 11.73976 6.485604       0.4941489     6.075261       0.6952713     6.904462       0.7024480     292.7193 17.27804 312.5464 16.33324 -19.82706      23.77615 
1 1 1 2  8  49  o 152.6287 11.92678 1.636283       0.2493635     1.417571       0.3506420     1.860086       0.3546994     140.2468 18.56258 161.7139 16.09853 -21.46712      24.57096 
1 1 1 2  8  50  o 323.0751 11.76951 7.288574       0.5250492     7.306098       0.7422644     7.271025       0.7427995     321.1844 16.79490 320.3841 16.84966 0.8002930      23.79033 
1 1 1 2  8  51  o 211.4768 11.75460 3.133019       0.3418939     2.906343       0.4809937     3.364503       0.4860682     201.9082 17.42295 217.7599 16.28305 -15.85168      23.84736 
1 1 1 2  8  52  o 237.7300 11.72232 3.949041       0.3848005     3.734145       0.5408809     4.169278       0.5475606     228.9961 17.23181 242.3511 16.46006 -13.35497      23.83000 
1 1 1 2  8  53  o 342.3477 17.03840 8.305350       0.8054420     9.551664       1.156401      7.131057       1.122490      362.5334 23.22264 310.7729 26.40800 51.76056       35.16637 
1 1 1 2  8  54  o 193.7526 25.15660 2.782582       0.6571525     2.782582       0.6571525     0.000000       0.000000      193.7526 25.15660 ?        ?        0.000000       25.15660 
1 1 1 2  8  55  o 268.4978 24.10949 5.292501       0.8843278     5.292501       0.8843278     0.000000       0.000000      268.4978 24.10949 ?        ?        0.000000       24.10949 
1 1 1 2  8  56  o 161.3154 13.71384 1.843156       0.3025760     1.869352       0.5294800     1.830454       0.3687114     158.0180 25.10611 159.6959 16.98125 -1.677933      30.30972 
1 1 1 2  8  57  o 124.8081 12.18858 1.102159       0.2073744     0.6759564      0.4092738     1.249375       0.2405376     94.14862 28.79983 132.6611 13.31061 -38.51244      31.72700 
1 1 1 2  8  58  o 171.4496 10.73424 2.062960       0.2528434     1.710779       0.3994442     2.298407       0.3266030     153.2435 19.30559 180.2740 13.21249 -27.03052      23.39392 
1 1 1 2  8  59  o 145.4795 10.84111 1.488805       0.2162144     1.530862       0.3451036     1.461630       0.2774096     145.4188 17.54081 143.1896 14.21847 2.229172       22.57975 
1 1 1 2  8  60  o 159.9363 10.73843 1.797966       0.2357758     1.593298       0.3732516     1.933855       0.3041370     147.8479 18.70124 165.0806 13.45960 -17.23265      23.04121 
1 1 1 2  8  61  o 179.7952 10.78646 2.271212       0.2665527     2.437840       0.4240602     2.162375       0.3427224     184.0546 16.87348 174.2492 14.37230 9.805374       22.16478 
1 1 1 2  8  62  o 135.7153 11.09725 1.299299       0.2061420     1.536914       0.3301134     1.147415       0.2639266     145.8459 16.69258 126.1951 15.47015 19.65083       22.75891 
1 1 1 2  8  63  o 330.1208 10.68961 7.633030       0.4872737     8.322494       0.7805682     7.192791       0.6237338     341.3134 16.56226 318.7409 14.17175 22.57248       21.79786 
1 1 1 2  8  64  o 94.09217 10.62051 0.6275880      0.1355720     0.6760616      0.1913938     0.5787746      0.1920633     96.58334 14.82481 88.79963 16.26306 7.783714       22.00596 
1 1 1 2  8  65  f 111.9719 10.18663 0.8841932      0.1557765     0.8169143      0.2204218     0.9513252      0.2201808     106.1276 15.49838 115.1027 14.15146 -8.975113      20.98722 
1 1 1 2  8  66  o 107.5614 10.52223 0.8177679      0.1542781     0.7478531      0.2186852     0.8870429      0.2176826     101.2159 16.19293 110.9459 14.56097 -9.730064      21.77688 
1 1 1 2  8  67  o 148.4266 9.928679 1.547624       0.2023154     1.543375       0.2869486     1.551824       0.2852930     146.8737 14.33149 147.3266 14.19983 -0.4529724     20.17491 
1 1 1 2  8  68  f 67.34666 12.07684 0.3284701      0.1081812     0.2106103      0.1542362     0.4426000      0.1517760     54.72265 17.80568 77.75874 14.67364 -23.03609      23.07288 
1 1 1 2  8  69  o 82.89558 11.08966 0.4905439      0.1237555     0.4587830      0.1769722     0.5209388      0.1731245     78.61710 16.81137 84.28371 15.44485 -5.666611      22.82906 
1 1 1 2  8  70  o 82.91244 11.27039 0.4913694      0.1256879     0.4525477      0.1789684     0.5291513      0.1765553     77.98092 17.09234 84.88921 15.63847 -6.908295      23.16700 
1 1 1 2  8  71  f 156.6845 10.07479 1.726018       0.2168161     1.761380       0.3072003     1.690919       0.3060513     156.8669 14.34115 153.5707 14.60872 3.296188       20.47152 
1 1 1 2  8  72  o 64.61602 13.18806 0.3055302      0.1136856     0.3334585      0.1614665     0.2780747      0.1600936     66.84172 17.34461 61.36341 17.83200 5.478313       24.87601 
1 1 1 2  8  73  o 69.88445 12.66476 0.3549244      0.1177124     0.3781197      0.1648167     0.3307739      0.1681750     71.17749 17.00273 66.54003 17.90867 4.637459       24.69440 
1 1 1 2  8  74  o 81.66899 11.79086 0.4788980      0.1291151     0.4683805      0.1782413     0.4905101      0.1872871     79.36884 16.78802 81.13315 17.24866 -1.764313      24.06977 
1 1 1 2  8  75  o 166.5007 10.10219 1.950144       0.2311592     2.098763       0.3229272     1.793963       0.3310407     171.4248 13.75839 157.7404 15.39472 13.68437       20.64681 
1 1 1 2  8  76  o 106.0077 10.89890 0.7979878      0.1572636     0.7973337      0.2184616     0.7986913      0.2265685     104.4881 15.62100 104.3546 16.25270 0.1335831      22.54253 
1 1 1 2  8  77  o 39.91247 13.61619 0.1053960      0.9000412E-01 0.7835912E-01  0.1254621     0.1340634      0.1291898     40.41728 15.69493 45.83160 16.26977 -5.414318      22.60611 
1 1 1 2  8  78  o 132.3688 12.11689 1.249423       0.2190126     1.240336       0.2750712     1.265159       0.3619868     130.5645 15.56420 129.3194 20.99152 1.245102       26.13213 
1 1 1 2  8  79  o 62.51569 19.25512 0.2908792      0.1825895     0.9026969E-01  0.2566587     0.4964473      0.2598113     52.49384 21.71664 79.89082 22.56060 -27.39698      31.31442 
1 1 1 2  8  80  o 39.83015 14.99986 0.8795954E-01  0.1122683     -0.1262954E-02 0.1553272     0.1855589      0.1624553     37.88202 16.33236 52.30787 18.27224 -14.42586      24.50756 
1 1 1 2  8  81  o 95.77836 15.47694 0.6802580      0.1977068     0.6333857      0.2475591     0.7627965      0.3285100     90.28046 20.34577 97.21420 24.48572 -6.933739      31.83553 
1 1 1 2  8  82  o 76.02966 15.76383 0.4361581      0.1600626     0.3559204      0.3157398     0.4639108      0.1856920     69.58061 25.34128 77.74617 17.69484 -8.165558      30.90773 
1 1 1 2  8  83  o 71.40038 16.43209 0.3901358      0.1586443     0.4862596      0.3191319     0.3585847      0.1828360     77.24773 25.63573 67.82007 18.84653 9.427658       31.81796 
1 1 1 2  8  84  o 67.42581 15.43680 0.3473770      0.1406221     0.2769226      0.2098631     0.4047862      0.1894406     60.61176 20.79072 71.62464 18.88523 -11.01288      28.08747 
1 1 1 2  8  85  o 91.47556 13.19864 0.6202119      0.1618907     0.7927948      0.2468354     0.4899334      0.2144593     100.6716 18.43611 78.01095 19.85798 22.66068       27.09667 
1 1 1 2  8  86  o 71.65469 14.76465 0.3930967      0.1412253     0.4485414      0.2163242     0.3519140      0.1864373     73.95650 20.48153 66.14037 19.24995 7.816124       28.10789 
1 1 1 2  8  87  o 97.12212 13.58501 0.7073414      0.1772003     0.6915795      0.2693066     0.7193757      0.2353167     90.73537 21.77269 94.84887 18.63200 -4.113503      28.65661 
1 1 1 2  8  88  f 99.48396 14.84196 0.7556977      0.1976456     0.8409069      0.2814552     0.6728005      0.2776107     100.5822 20.94569 88.36932 22.64696 12.21285       30.84813 
1 1 1 2  8  89  o 122.9341 12.26933 1.118653       0.2054900     1.085938       0.2723832     1.161870       0.3130572     117.3912 17.32443 119.4633 19.66226 -2.072052      26.20574 
1 1 1 2  8  90  o 55.09877 15.00507 0.2382745      0.1172445     0.1411436      0.1621536     0.3446848      0.1697228     46.69721 17.92142 64.90145 18.20174 -18.20424      25.54370 
1 1 1 2  8  91  o 62.66857 16.26049 0.3143686      0.1419196     0.2878168      0.1922520     0.3461639      0.2103801     59.33572 19.90198 64.08192 20.79271 -4.746193      28.78238 
1 1 1 2  8  92  o 111.1071 14.52662 0.9461966      0.2175300     0.8792601      0.3058426     1.014724       0.3094571     100.3049 22.62129 109.3563 21.25930 -9.051399      31.04320 
1 1 1 2  8  93  o 25.51424 11.53300 -0.3638256E-01 0.8677161E-01 0.2089703E-01  0.1022055     -0.1842498     0.1642140     31.88640 13.48124 29.64701 14.18010 2.239395       19.56576 
1 1 1 2  8  94  o 163.0144 10.62893 1.938118       0.2379418     1.942515       0.3346408     1.933622       0.3383914     158.6066 15.47709 157.9807 15.72115 0.6259155      22.06116 
1 1 1 2  8  95  o 203.8066 10.33117 3.015922       0.2897904     3.155796       0.4099382     2.876201       0.4097129     203.5023 14.68720 193.2443 15.48454 10.25795       21.34209 
1 1 1 2  8  96  o 275.9117 10.15528 5.508925       0.3869013     5.568907       0.5465508     5.448674       0.5477733     270.4281 14.69175 267.1154 14.91079 3.312714       20.93273 
1 1 1 2  8  97  o 180.9072 10.61757 2.388494       0.2640655     2.446370       0.3719202     2.329660       0.3749889     178.0970 15.27131 173.0662 15.86834 5.030853       22.02310 
1 1 1 2  8  98  o 223.2132 10.30439 3.624336       0.3175997     3.352354       0.4462334     3.903558       0.4521325     207.4522 15.69390 225.6395 14.58962 -18.18730      21.42791 
1 1 1 2  8  99  o 200.0996 10.37193 2.932792       0.2855955     2.991437       0.4034521     2.873892       0.4043354     196.0864 15.01479 191.6116 15.41244 4.474823       21.51713 
1 1 1 2  8  100 o 80.09457 16.11895 0.5236173      0.1720978     0.5864773      0.2382409     0.4550215      0.2488731     80.40466 21.16798 69.41735 22.61952 10.98730       30.97945 
1 1 1 2  8  101 o 76.06968 19.95426 0.5260661      0.2122030     0.6713791      0.3822386     0.4613282      0.2551301     75.55205 27.82661 68.21577 22.92647 7.336281       36.05473 
1 1 1 2  8  102 o 125.4654 21.79403 1.494210       0.3638718     1.501203       0.5356898     1.488221       0.4958062     101.7685 33.18691 106.3315 31.51722 -4.563057      45.76796 
1 1 1 2  8  103 o 62.27762 24.77781 0.4671659      0.3193208     0.000000       0.000000      0.4671659      0.3193208     ?        ?        62.27762 24.77781 0.000000       24.77781 
1 1 1 2  8  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  0   o 112.5724 18.60408 0.9552424      0.2654392     1.056021       0.3768839     0.8560478      0.3739093     113.3894 27.79302 97.53225 31.43990 0.000000       0.000000 
1 1 1 2  9  1   o 204.3214 11.51561 2.926244       0.3235673     3.144618       0.4580808     2.708796       0.4571074     210.4395 15.88137 194.7654 17.17262 15.67407       23.39053 
1 1 1 2  9  2   o 168.6409 13.33626 2.007325       0.3080189     2.219167       0.3802260     1.602895       0.5253605     176.6313 15.75504 145.6026 27.12881 31.02870       31.37186 
1 1 1 2  9  3   o 184.1056 13.33792 2.390091       0.3367744     2.522117       0.4148866     2.135059       0.5766312     188.2615 16.11521 169.3649 25.44328 18.89656       30.11745 
1 1 1 2  9  4   o 122.0957 13.72961 1.059414       0.2274562     1.210560       0.2803503     0.7682841      0.3890866     130.0063 15.95171 100.3825 27.33372 29.62374       31.64789 
1 1 1 2  9  5   o 146.6880 16.54402 1.540417       0.3292462     1.478108       0.4619590     1.604744       0.4693785     140.7168 24.67459 147.0561 23.93899 -6.339218      34.37893 
1 1 1 2  9  6   o 125.6730 16.84077 1.136770       0.2848914     1.149114       0.4006509     1.124146       0.4051820     123.8527 24.29527 122.2713 24.84592 1.581352       34.75025 
1 1 1 2  9  7   o 264.8842 16.38740 4.979983       0.5964388     5.101224       0.8442498     4.859176       0.8427359     264.4581 23.35952 257.7150 23.95595 6.743103       33.45975 
1 1 1 2  9  8   o 229.8979 13.39165 3.720293       0.4232744     3.913358       0.5211428     3.346058       0.7255637     234.7926 16.17302 212.8998 25.16786 21.89278       29.91635 
1 1 1 2  9  9   o 86.43889 14.32522 0.5385567      0.1649938     0.5199238      0.2023879     0.5754794      0.2848994     84.05043 17.98207 87.62072 23.18682 -3.570290      29.34253 
1 1 1 2  9  10  o 86.10537 12.33247 0.5289453      0.1424409     0.4697827      0.1992573     0.5907756      0.2037001     79.75175 18.45916 89.95630 17.02260 -10.20454      25.10995 
1 1 1 2  9  11  o 183.3218 11.51240 2.356688       0.2899394     2.252028       0.4074580     2.464040       0.4126640     177.6398 16.81129 186.0798 16.22279 -8.440033      23.36233 
1 1 1 2  9  12  o 312.4389 11.53618 6.819606       0.4976970     6.779592       0.7011279     6.860247       0.7066038     309.2350 16.47935 311.0587 16.51024 -1.823761      23.32717 
1 1 1 2  9  13  o 325.8120 11.55481 7.415694       0.5198378     7.740935       0.7366959     7.093150       0.7336369     331.0550 16.11574 316.1498 16.86639 14.90521       23.32793 
1 1 1 2  9  14  f 345.1323 11.57890 8.321166       0.5518118     8.290688       0.7778640     8.352042       0.7829201     342.4683 16.44922 343.7101 16.49632 -1.241882      23.29604 
1 1 1 2  9  15  o 171.2265 11.52537 2.056678       0.2709127     2.248895       0.3826332     1.863463       0.3836255     177.9081 15.73812 161.2642 17.50918 16.64383       23.54272 
1 1 1 2  9  16  o 337.6554 11.58303 7.963597       0.5400501     8.072048       0.7640175     7.855299       0.7634752     338.0024 16.36988 333.3317 16.58748 4.670715       23.30488 
1 1 1 2  9  17  f 283.4210 11.46335 5.609167       0.4486229     5.489352       0.6333333     5.729830       0.6355699     278.2214 16.56045 284.4079 16.25135 -6.186462      23.20247 
1 1 1 2  9  18  o 66.14633 12.84083 0.3164862      0.1130543     0.3068417      0.1592057     0.3262965      0.1605689     64.71912 17.42708 66.65913 17.29590 -1.940010      24.55303 
1 1 1 2  9  19  o 123.2403 11.74178 1.070271       0.1973972     1.023214       0.2779783     1.118137       0.2803605     119.0415 17.42733 124.7524 16.69393 -5.710960      24.13295 
1 1 1 2  9  20  o 138.9717 11.61801 1.357831       0.2208992     1.539596       0.3127902     1.176973       0.3120084     147.0244 15.64776 127.5954 18.22697 19.42897       24.02239 
1 1 1 2  9  21  o 223.3095 11.47779 3.490131       0.3527221     3.440332       0.4980150     3.540256       0.4996378     220.1268 16.50458 223.3883 16.31057 -3.261429      23.20422 
1 1 1 2  9  22  o 204.2769 11.48753 2.921699       0.3227137     2.929713       0.4562907     2.913679       0.4564814     203.1043 16.41006 202.5248 16.46583 0.5794983      23.24680 
1 1 1 2  9  23  o 157.6623 11.55079 1.744078       0.2497148     1.616034       0.3518055     1.874097       0.3545100     150.2382 17.27262 162.3032 16.02780 -12.06500      23.56340 
1 1 1 2  9  24  o 207.6546 11.48007 3.018026       0.3278949     3.005810       0.4628598     3.030331       0.4645717     205.7847 16.42602 206.6308 16.41777 -0.8461456     23.22407 
1 1 1 2  9  25  o 348.1234 11.63769 8.458679       0.5594198     8.056898       0.7857327     8.871712       0.7966585     337.7572 16.84737 354.6949 16.26594 -16.93774      23.41826 
1 1 1 2  9  26  o 338.0122 11.59859 7.973043       0.5413470     8.220148       0.7678881     7.728888       0.7632929     341.4473 16.28682 330.4820 16.78159 10.96530       23.38551 
1 1 1 2  9  27  o 155.3379 11.57700 1.692660       0.2465369     1.729467       0.3486947     1.655868       0.3486170     155.7971 16.45780 152.2939 16.86074 3.503189       23.56149 
1 1 1 2  9  28  o 133.8063 11.69274 1.258582       0.2138686     1.345297       0.3021067     1.171465       0.3028061     137.2770 16.25322 127.5894 17.66106 9.687622       24.00167 
1 1 1 2  9  29  o 230.6024 11.47625 3.709244       0.3654279     3.631897       0.5155333     3.787351       0.5180621     226.3598 16.60971 231.2762 16.32721 -4.916382      23.29078 
1 1 1 2  9  30  o 384.6843 11.78214 10.32734       0.6258448     9.446956       0.8733923     11.25648       0.8972459     365.6691 17.29749 399.6881 16.25744 -34.01904      23.73832 
1 1 1 2  9  31  o 267.0663 11.54298 4.975350       0.4256720     4.839934       0.5999781     5.112601       0.6040246     261.4474 16.70661 268.8788 16.34654 -7.431427      23.37349 
1 1 1 2  9  32  o 83.86658 12.59103 0.5020530      0.1413072     0.4615931      0.1985105     0.5436140      0.2011936     79.19453 18.48905 86.24357 17.49295 -7.049042      25.45287 
1 1 1 2  9  33  o 179.7728 11.62220 2.263732       0.2869588     2.320963       0.4048719     2.205961       0.4067768     180.7800 16.39762 176.0439 16.94315 4.736099       23.57864 
1 1 1 2  9  34  o 131.3399 11.81405 1.213233       0.2119637     1.348504       0.3001128     1.078593       0.2994123     137.5003 16.11224 122.1721 18.31268 15.32819       24.39177 
1 1 1 2  9  35  o 81.72910 12.71944 0.4776050      0.1388749     0.4848018      0.1957287     0.4703088      0.1970758     81.26926 17.92334 79.97597 18.24876 1.293297       25.57857 
1 1 1 2  9  36  o 229.2144 11.61423 3.674638       0.3663954     3.625455       0.5171468     3.724210       0.5191820     226.1373 16.67939 229.2723 16.50999 -3.135056      23.46874 
1 1 1 2  9  37  o 206.2273 11.63977 2.976825       0.3301035     2.667374       0.4633301     3.295825       0.4704246     193.4882 17.53236 215.7947 15.89941 -22.30650      23.66802 
1 1 1 2  9  38  o 256.9711 11.65712 4.608564       0.4136314     4.158856       0.5795882     5.075347       0.5904903     241.9189 17.46795 267.9429 16.03362 -26.02408      23.71089 
1 1 1 2  9  39  o 159.0754 11.73778 1.775798       0.2560050     1.740531       0.3612034     1.811395       0.3628940     156.0984 17.03425 159.3671 16.74104 -3.268646      23.88364 
1 1 1 2  9  40  o 411.5637 11.88241 11.83094       0.6752734     11.75564       0.9535269     11.90670       0.9564412     407.8358 16.93205 410.4801 16.87439 -2.644287      23.90480 
1 1 1 2  9  41  o 167.5314 11.73106 1.969549       0.2696636     2.159835       0.3816697     1.779875       0.3810549     174.2965 16.03839 157.5342 17.83161 16.76225       23.98325 
1 1 1 2  9  42  o 125.0341 11.98099 1.102486       0.2043191     1.298535       0.2897218     0.9085101      0.2881860     134.8032 15.86867 111.4250 19.43756 23.37820       25.09250 
1 1 1 2  9  43  o 94.35561 18.86814 0.6550503      0.2372401     0.7361943      0.3331182     0.5715352      0.3379504     98.75170 24.53782 87.48590 26.04110 11.26580       35.78049 
1 1 1 2  9  44  o 98.13332 19.21401 0.7090889      0.2510410     0.4270887      0.3541164     0.9940036      0.3559417     78.51788 27.00264 115.3522 23.15155 -36.83431      35.56876 
1 1 1 2  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  46  o 285.3467 16.57141 5.790165       0.6501234     6.413652       0.9292470     5.192388       0.9098854     296.5532 22.86952 265.1947 25.14824 31.35852       33.99189 
1 1 1 2  9  47  o 223.4452 16.62726 3.561179       0.5093419     2.682017       0.7104762     4.490801       0.7305810     188.0957 28.22586 248.4969 21.50360 -60.40114      35.48385 
1 1 1 2  9  48  o 277.5806 11.74500 5.396400       0.4501738     5.301173       0.6358580     5.492099       0.6374287     272.5395 16.98072 277.5621 16.70946 -5.022614      23.82333 
1 1 1 2  9  49  o 87.91673 13.12809 0.5548195      0.1544889     0.7807220      0.2181662     0.3276114      0.2187957     103.8921 15.69729 67.32967 21.13429 36.56238       26.32609 
1 1 1 2  9  50  o 193.0394 11.85733 2.622926       0.3145311     2.951441       0.4480563     2.303751       0.4416415     203.2265 16.09840 178.5557 18.16556 24.67078       24.27233 
1 1 1 2  9  51  f 185.4912 11.88314 2.423893       0.3027629     2.651343       0.4305722     2.201446       0.4258103     192.3593 16.36597 174.5207 17.92439 17.83865       24.27197 
1 1 1 2  9  52  o 186.9131 11.93924 2.462538       0.3065358     2.462443       0.4353263     2.462632       0.4317104     184.8802 17.25174 184.9558 17.09736 -0.7559204E-01 24.28873 
1 1 1 2  9  53  o 108.2479 12.71407 0.8354721      0.1864199     0.6177744      0.2649299     1.048973       0.2623640     90.38393 21.53426 120.3829 16.19425 -29.99892      26.94398 
1 1 1 2  9  54  o 223.1506 11.96216 3.508452       0.3672496     3.122038       0.5163442     3.904058       0.5224484     207.7364 18.18380 233.4620 16.30895 -25.72565      24.42606 
1 1 1 2  9  55  o 165.6329 12.08665 1.938602       0.2745251     1.775008       0.3873491     2.103705       0.3891314     156.1481 18.31276 170.8495 16.70858 -14.70139      24.78979 
1 1 1 2  9  56  o 118.3657 12.69631 0.9976903      0.2042708     0.8718227      0.2881094     1.124918       0.2896619     108.1516 20.03008 124.2258 17.36095 -16.07423      26.50673 
1 1 1 2  9  57  o 107.1001 13.28096 0.8213094      0.1921930     0.8648717      0.2707593     0.7770698      0.2728567     108.1292 18.81788 101.9194 20.10252 6.209877       27.53587 
1 1 1 2  9  58  f 244.2739 11.94669 4.196300       0.4029607     4.561087       0.5718622     3.836546       0.5679033     252.1008 16.51913 230.3042 18.00120 21.79662       24.43205 
1 1 1 2  9  59  o 238.4155 12.03203 4.008849       0.3948269     4.641153       0.5637249     3.400015       0.5531641     254.4910 16.12527 216.2878 18.70597 38.20317       24.69692 
1 1 1 2  9  60  o 89.01513 13.92856 0.5735347      0.1655890     0.7075745      0.2350370     0.4414362      0.2333287     97.74756 18.07967 76.45872 21.30585 21.28884       27.94305 
1 1 1 2  9  61  o 173.3262 12.26887 2.126372       0.2917368     2.190702       0.4144181     2.063172       0.4107626     173.7843 17.50841 168.4037 17.94073 5.380569       25.06819 
1 1 1 2  9  62  o 90.26182 10.80254 0.5792285      0.1319631     0.6639170      0.1883986     0.4976574      0.1848987     95.63280 14.74065 81.92934 16.90480 13.70347       22.42898 
1 1 1 2  9  63  f 87.81609 10.99148 0.5493299      0.1303615     0.4878168      0.1847720     0.6102960      0.1839487     81.03871 17.05216 91.49139 15.08650 -10.45267      22.76793 
1 1 1 2  9  64  f 56.19013 12.81621 0.2315607      0.9723723E-01 0.2278550      0.1387321     0.2351391      0.1363278     55.92246 16.69367 56.64480 16.45370 -0.7223434     23.43934 
1 1 1 2  9  65  o 119.9780 10.34446 1.016017       0.1696999     0.9718704      0.2405948     1.059723       0.2393936     115.7930 15.43172 121.2845 14.58706 -5.491470      21.23488 
1 1 1 2  9  66  o 189.4914 9.821201 2.519750       0.2560941     2.488448       0.3617868     2.551185       0.3625579     186.7067 14.13799 189.1240 13.98242 -2.417267      19.88444 
1 1 1 2  9  67  o 189.9140 9.810765 2.531337       0.2563965     2.593346       0.3622089     2.469059       0.3629911     190.7134 13.84881 185.8921 14.25004 4.821304       19.87092 
1 1 1 2  9  68  o 65.81817 12.49952 0.3154866      0.1094454     0.2012805      0.1527434     0.4359907      0.1568986     53.67944 17.73166 76.90061 15.31394 -23.22117      23.42923 
1 1 1 2  9  69  o 44.68130 10.95708 0.1458288      0.6708534E-01 0.1887822      0.9341754E-01 0.1000903      0.9639868E-01 50.69347 13.21157 39.84045 14.06360 10.85302       19.29586 
1 1 1 2  9  70  o 98.64684 10.61771 0.6911746      0.1423500     0.7468728      0.1987594     0.6325189      0.2039681     101.3886 14.61967 92.50665 16.57691 8.881905       22.10268 
1 1 1 2  9  71  o 94.74280 11.04040 0.6400435      0.1417252     0.6034615      0.1982396     0.6782880      0.2026940     90.25745 16.51491 96.06017 15.83299 -5.802727      22.87850 
1 1 1 2  9  72  o 91.64793 12.87111 0.6069108      0.1583931     0.6576237      0.1984453     0.5178897      0.2629226     94.49138 15.76479 81.71666 22.56010 12.77472       27.52248 
1 1 1 2  9  73  o 85.83592 18.05631 0.5564228      0.2072295     0.4132221      0.2369108     1.022916       0.4275972     73.37175 21.79516 112.0852 27.77040 -38.71340      35.30189 
1 1 1 2  9  74  o 49.00026 17.86670 0.1508856      0.1570157     0.1508856      0.1570157     0.000000       0.000000      49.00026 17.86670 ?        ?        0.000000       17.86670 
1 1 1 2  9  75  o 119.0786 14.53008 1.036346       0.2339580     1.127352       0.2917950     0.8725291      0.3914913     122.6868 17.73937 102.6157 27.19265 20.07112       32.46730 
1 1 1 2  9  76  o 118.1687 13.17910 1.014223       0.2113803     1.346882       0.4184202     0.9002318      0.2449337     129.5921 24.27484 109.6415 16.70644 19.95055       29.46817 
1 1 1 2  9  77  o 117.2875 12.39319 0.9967938      0.1976720     0.8793586      0.3257349     1.065252       0.2487013     104.2740 23.21921 119.8229 15.38695 -15.54884      27.85480 
1 1 1 2  9  78  o 118.6935 10.71905 1.011566       0.1737839     0.7715712      0.2449729     1.254701       0.2465699     99.82687 18.45151 130.6818 13.87661 -30.85494      23.08719 
1 1 1 2  9  79  f 60.09092 13.88813 0.2737435      0.1129264     0.3684158      0.1610837     0.1822512      0.1583553     68.73648 17.05346 50.88385 18.01828 17.85263       24.80885 
1 1 1 2  9  80  o 76.59741 13.01495 0.4380032      0.1327304     0.4135881      0.1894846     0.4615242      0.1859827     71.86763 18.85775 76.38332 17.93911 -4.515694      26.02742 
1 1 1 2  9  81  o 45.92229 14.54826 0.1570683      0.1034616     0.6031127E-01  0.1474871     0.2508141      0.1451739     40.10057 16.51350 56.65464 17.11421 -16.55406      23.78218 
1 1 1 2  9  82  o 77.12891 13.71480 0.4512469      0.1407121     0.4725534      0.1887722     0.4246055      0.2110862     76.63490 18.12364 71.49656 20.38620 5.138336       27.27753 
1 1 1 2  9  83  o 25.12464 9.090785 0.3823207E-01  0.4053687E-01 0.1494842E-01  0.7539053E-01 0.4770135E-01  0.4807837E-01 27.75992 11.64886 27.64470 9.913327 0.1152172      15.29608 
1 1 1 2  9  84  o 106.7887 12.65613 0.8504205      0.1829910     0.8442348      0.2411691     0.8588141      0.2809354     103.0562 17.57829 101.4141 20.76080 1.642151       27.20307 
1 1 1 2  9  85  o 101.1423 13.20965 0.7703753      0.1800790     0.8085836      0.2390448     0.7202400      0.2738239     100.3883 17.90127 91.38553 21.97060 9.002762       28.34013 
1 1 1 2  9  86  o 64.77746 16.38911 0.3364241      0.1467081     0.4936922      0.2052082     0.1720047      0.2098220     76.90532 19.34256 51.20968 20.17629 25.69564       27.95026 
1 1 1 2  9  87  o 94.92035 14.86069 0.6964855      0.1883857     0.5919456      0.2636067     0.8056062      0.2693205     81.78337 22.59390 97.70547 20.61074 -15.92210      30.58246 
1 1 1 2  9  88  o 124.3727 13.49064 1.168114       0.2279690     1.107508       0.3215448     1.229368       0.3232558     114.4536 21.12398 121.9409 19.88342 -7.487358      29.00987 
1 1 1 2  9  89  o 91.40113 15.32130 0.6509848      0.1865249     0.9017223      0.2664482     0.4100235      0.2612022     104.8226 19.11279 68.22900 23.19639 36.59364       30.05613 
1 1 1 2  9  90  o 91.20596 15.68100 0.6511343      0.1903662     0.7843727      0.2702887     0.5199855      0.2681608     96.09346 20.96024 76.13794 23.31567 19.95552       31.35207 
1 1 1 2  9  91  o 122.7508 14.01090 1.145396       0.2332259     0.9769347      0.3275365     1.318662       0.3321750     105.3476 23.14829 126.6105 19.63619 -21.26287      30.35496 
1 1 1 2  9  92  o 198.1451 12.85534 2.933396       0.3498268     2.971008       0.4946752     2.895768       0.4947843     191.1827 18.98970 188.2735 19.30522 2.909195       27.07952 
1 1 1 2  9  93  o 52.14908 17.05213 0.2160385      0.1413929     -0.6652771E-02 0.2022938     0.4287405      0.1977046     40.45314 17.99846 70.94279 19.55369 -30.48964      26.57614 
1 1 1 2  9  94  o 133.8206 12.38815 1.346288       0.2263144     1.313157       0.3513091     1.369790       0.2958921     122.9264 21.47876 130.7670 16.77357 -7.840576      27.25234 
1 1 1 2  9  95  o 61.51911 18.09355 0.3221391      0.1639450     0.3098701      0.2122253     0.3402964      0.2581775     59.52410 20.87932 61.52246 22.82913 -1.998363      30.93728 
1 1 1 2  9  96  o 121.7076 22.04062 1.358111       0.3567696     1.683348       0.5025896     1.027755       0.5065302     122.6786 29.93398 87.33107 32.05277 35.34758       43.85685 
1 1 1 2  9  97  o 57.23780 23.82188 0.3070937      0.3115021     0.3070937      0.3115021     0.000000       0.000000      57.23780 23.82188 ?        ?        0.000000       23.82188 
1 1 1 2  9  98  o 89.87146 31.64980 1.223677       0.4879482     1.223677       0.4879482     0.000000       0.000000      89.87146 31.64980 ?        ?        0.000000       31.64980 
1 1 1 2  9  99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 1   o 273.2037 23.60824 5.408896       0.8818609     0.000000       0.000000      5.408896       0.8818609     ?        ?        273.2037 23.60824 0.000000       23.60824 
1 1 1 2  10 2   o 176.0363 24.02448 2.269600       0.5687268     0.000000       0.000000      2.269600       0.5687268     ?        ?        176.0363 24.02448 0.000000       24.02448 
1 1 1 2  10 3   o 221.5186 23.77871 3.570148       0.7159593     0.000000       0.000000      3.570148       0.7159593     ?        ?        221.5186 23.77871 0.000000       23.77871 
1 1 1 2  10 4   o 252.1071 16.42330 4.497128       0.5685988     4.253191       0.7977352     4.749033       0.8106608     241.7453 24.22401 256.1001 23.17512 -14.35484      33.52445 
1 1 1 2  10 5   o 167.1319 16.59162 1.987481       0.3778402     1.780620       0.5284668     2.203810       0.5404274     154.9889 25.58619 173.7957 23.09121 -18.80682      34.46531 
1 1 1 2  10 6   o 186.8103 16.53594 2.478121       0.4221409     2.698687       0.5962201     2.256401       0.5977778     192.6817 22.85488 174.9004 25.50230 17.78133       34.24489 
1 1 1 2  10 7   o 278.5563 16.52240 5.487810       0.6326736     5.036521       0.8865119     5.956242       0.9031923     262.9805 24.70262 287.1267 22.97318 -24.14618      33.73405 
1 1 1 2  10 8   o 225.1981 16.55018 3.593218       0.5110368     4.335331       0.7305842     2.882239       0.7150949     245.2730 21.79882 197.3680 26.94295 47.90497       34.65705 
1 1 1 2  10 9   o 461.1280 14.20682 14.90915       0.9045993     14.26223       1.105781      16.21801       1.572867      449.0374 17.83400 473.6268 24.13010 -24.58948      30.00522 
1 1 1 2  10 10  o 188.9317 13.54966 2.511480       0.3511377     3.129737       0.4349633     1.354650       0.5949805     210.5733 15.05867 132.2755 32.74892 78.29781       36.04519 
1 1 1 2  10 11  o 253.4698 13.42049 4.509348       0.4680398     4.496785       0.5738323     4.534317       0.8089713     252.0389 16.58100 249.9251 23.72593 2.113770       28.94563 
1 1 1 2  10 12  o 246.4767 11.56603 4.237679       0.3936388     4.203094       0.5536082     4.273045       0.5598226     243.6402 16.55386 245.6508 16.60164 -2.010574      23.44450 
1 1 1 2  10 13  o 304.5743 11.62873 6.471685       0.4890616     6.172700       0.6853086     6.781976       0.6981451     295.3201 16.87567 309.8115 16.37781 -14.49142      23.51640 
1 1 1 2  10 14  o 198.1750 11.57211 2.748658       0.3152880     2.698917       0.4438399     2.799326       0.4479577     194.9677 16.64591 198.6391 16.48066 -3.671432      23.42431 
1 1 1 2  10 15  o 318.0597 11.62416 7.057446       0.5105146     7.742773       0.7269057     6.390396       0.7171466     331.6631 15.87241 300.2790 17.37016 31.38406       23.52990 
1 1 1 2  10 16  o 280.6020 11.58259 5.492790       0.4487810     6.085375       0.6376424     4.911118       0.6317432     293.6575 15.78316 263.0603 17.49161 30.59726       23.55981 
1 1 1 2  10 17  o 383.8636 11.75405 10.28333       0.6230209     9.454966       0.8685796     11.16118       0.8941455     365.8540 17.19348 397.9663 16.27136 -32.11227      23.67220 
1 1 1 2  10 18  o 262.8239 11.74035 4.820754       0.4260729     4.530428       0.5961083     5.123993       0.6092218     252.7037 17.18556 269.1007 16.47475 -16.39702      23.80674 
1 1 1 2  10 19  o 465.9668 12.04150 15.16229       0.7747716     14.81602       1.089771      15.51620       1.101712      457.9038 17.23547 468.7312 17.02182 -10.82739      24.22403 
1 1 1 2  10 20  o 281.4140 11.55852 5.525704       0.4491443     5.562393       0.6359313     5.489187       0.6344433     280.3695 16.49909 278.4821 16.57391 1.887451       23.38620 
1 1 1 2  10 21  o 324.4389 11.65022 7.345943       0.5219212     7.523043       0.7400604     7.170699       0.7361711     326.1937 16.48405 318.2957 16.80942 7.898010       23.54316 
1 1 1 2  10 22  o 125.9361 11.88194 1.116904       0.2041795     1.340401       0.2895838     0.8959533      0.2879301     137.1769 15.56363 110.7307 19.54593 26.44620       24.98540 
1 1 1 2  10 23  o 240.7776 11.56633 4.046302       0.3845470     4.690286       0.5487898     3.425076       0.5390054     257.6907 15.49504 219.1850 17.96713 38.50568       23.72581 
1 1 1 2  10 24  o 231.4139 11.52551 3.737967       0.3682879     3.636594       0.5194540     3.840426       0.5222326     226.3196 16.74092 232.7531 16.35296 -6.433411      23.40251 
1 1 1 2  10 25  f 238.3174 11.58003 3.965261       0.3810689     3.372978       0.5335335     4.582049       0.5444582     217.4428 17.92951 254.6005 15.56171 -37.15767      23.74098 
1 1 1 2  10 26  o 268.6351 11.64841 5.040020       0.4320833     5.079232       0.6097373     5.000466       0.6123876     267.6358 16.58075 265.4557 16.79347 2.180115       23.59961 
1 1 1 2  10 27  o 530.5796 14.24709 19.78025       1.043794      18.67575       1.257704      22.22455       1.870991      513.0929 17.75189 553.0702 24.49928 -39.97729      30.25466 
1 1 1 2  10 28  f 232.8035 13.46813 3.814374       0.4310974     3.743238       0.5252440     3.961209       0.7546194     229.4527 16.69232 232.6901 23.82201 -3.237396      29.08817 
1 1 1 2  10 29  o 209.1862 16.75562 3.115972       0.4799225     3.246514       0.6787125     2.985429       0.6787133     210.4111 23.77753 201.0807 24.98274 9.330444       34.48924 
1 1 1 2  10 30  o 162.6724 25.06338 1.968774       0.5448989     0.000000       0.000000      1.968774       0.5448989     ?        ?        162.6724 25.06338 0.000000       25.06338 
1 1 1 2  10 31  o 169.3091 25.05561 2.131656       0.5680763     0.000000       0.000000      2.131656       0.5680763     ?        ?        169.3091 25.05561 0.000000       25.05561 
1 1 1 2  10 32  o 148.3898 24.66064 1.643559       0.4875607     0.000000       0.000000      1.643559       0.4875607     ?        ?        148.3898 24.66064 0.000000       24.66064 
1 1 1 2  10 33  o 268.4737 23.79743 5.285132       0.8730624     0.000000       0.000000      5.285132       0.8730624     ?        ?        268.4737 23.79743 0.000000       23.79743 
1 1 1 2  10 34  o 230.6002 16.52302 3.789180       0.5226354     3.154579       0.7332239     4.444605       0.7451568     205.3521 26.47485 246.9310 22.08739 -41.57895      34.47855 
1 1 1 2  10 35  o 252.6460 13.49921 4.501258       0.4692281     4.700285       0.5795633     4.122574       0.7994352     256.9107 16.42322 235.9065 24.91888 21.00423       29.84414 
1 1 1 2  10 36  o 159.2532 11.83405 1.786192       0.2583719     1.887314       0.3661664     1.685919       0.3646245     162.2298 16.57889 152.8828 17.59306 9.346985       24.17386 
1 1 1 2  10 37  o 119.0880 12.22212 1.004881       0.1981306     1.294153       0.2817497     0.7218900      0.2786736     134.3631 15.46842 98.18289 21.17754 36.18025       26.22518 
1 1 1 2  10 38  o 246.9211 11.68288 4.273567       0.3983327     4.773319       0.5680048     3.789943       0.5587638     258.8302 15.97077 229.6741 17.75682 29.15617       23.88243 
1 1 1 2  10 39  o 246.1698 11.67455 4.249230       0.3968378     4.307465       0.5618259     4.191248       0.5606028     245.3839 16.68030 241.9326 16.88711 3.451279       23.73619 
1 1 1 2  10 40  o 119.0802 12.20518 1.005898       0.1978530     0.8042508      0.2782273     1.212189       0.2814125     103.9367 20.11331 129.6657 16.06107 -25.72902      25.73914 
1 1 1 2  10 41  o 110.5202 12.38088 0.8687961      0.1856967     0.7781940      0.2613544     0.9611673      0.2638937     102.4733 19.17546 114.8644 17.16466 -12.39111      25.73565 
1 1 1 2  10 42  o 201.9392 11.75600 2.871759       0.3263887     2.554258       0.4585794     3.197717       0.4646469     187.9882 17.88173 211.3925 16.03777 -23.40433      24.02013 
1 1 1 2  10 43  o 105.4237 12.61346 0.7927503      0.1799701     0.8089255      0.2535737     0.7763324      0.2554693     104.8039 18.18140 102.4303 18.75336 2.373619       26.11995 
1 1 1 2  10 44  o 185.7643 11.85496 2.433499       0.3025025     2.483100       0.4265158     2.383293       0.4291022     185.7231 16.81379 181.7026 17.31193 4.020523       24.13310 
1 1 1 2  10 45  o 107.8239 12.54665 0.8288786      0.1833089     0.9297559      0.2598348     0.7289230      0.2586451     112.8154 17.22599 98.84008 19.64314 13.97530       26.12638 
1 1 1 2  10 46  o 207.1988 11.83405 3.026041       0.3371736     3.503349       0.4807434     2.563943       0.4730213     221.2484 15.84085 187.8924 18.47068 33.35594       24.33307 
1 1 1 2  10 47  o 74.13611 14.28969 0.4016155      0.1409780     0.3616251      0.2011579     0.4402174      0.1976349     69.67155 19.91319 76.67151 18.80961 -6.999954      27.39227 
1 1 1 2  10 48  o 93.49587 13.07122 0.6279170      0.1641369     0.5174345      0.2334763     0.7358772      0.2307961     82.77878 20.52704 100.0379 17.33621 -17.25912      26.86826 
1 1 1 2  10 49  o 102.0763 12.92380 0.7459071      0.1780795     0.7653590      0.2528951     0.7267758      0.2508028     101.5766 18.72027 98.80154 19.07438 2.775101       26.72603 
1 1 1 2  10 50  o 195.2102 11.92899 2.689792       0.3200037     2.306673       0.4493666     3.083975       0.4558093     177.9493 18.56119 207.2940 16.04931 -29.34465      24.53769 
1 1 1 2  10 51  o 337.6256 11.94573 8.020420       0.5569115     7.308516       0.7791392     8.764078       0.7963257     318.2417 17.80183 349.9821 16.47809 -31.74045      24.25763 
1 1 1 2  10 52  o 163.1219 12.14084 1.883435       0.2715051     1.750994       0.3821848     2.018375       0.3857727     154.8937 18.21712 166.9988 16.96493 -12.10507      24.89322 
1 1 1 2  10 53  o 113.5814 12.93717 0.9219490      0.1992808     1.070568       0.2798204     0.7689924      0.2838745     121.0308 17.22990 100.8778 21.05962 20.15302       27.20987 
1 1 1 2  10 54  o 94.16187 13.55082 0.6394337      0.1711141     0.7821290      0.2433323     0.4998403      0.2406732     102.9330 17.76196 81.11089 21.23823 21.82211       27.68663 
1 1 1 2  10 55  o 75.12675 14.30094 0.4130447      0.1429340     0.5467175      0.2039789     0.2840874      0.2003485     85.66867 17.82382 62.82425 20.28127 22.84442       27.00034 
1 1 1 2  10 56  f 145.7943 12.56358 1.510405       0.2504554     1.848947       0.3595240     1.191208       0.3491008     159.8517 16.52680 126.2281 20.75010 33.62358       26.52738 
1 1 1 2  10 57  o 50.55505 15.49531 0.1834973      0.1184101     0.1707602      0.1715152     0.1950963      0.1636741     52.02781 18.71681 53.67031 18.36152 -1.642502      26.21954 
1 1 1 2  10 58  o 89.56748 14.15466 0.5823433      0.1692436     0.3866583      0.2385477     0.7806715      0.2401535     71.91283 21.98545 102.8420 17.54069 -30.92922      28.12535 
1 1 1 2  10 59  o 186.3574 12.26911 2.459916       0.3139512     2.163706       0.4414676     2.763004       0.4465642     171.7491 18.92954 195.5069 16.70211 -23.75778      25.24457 
1 1 1 2  10 60  o 102.6729 13.67771 0.7598169      0.1890893     0.5397329      0.2668500     0.9817666      0.2679787     83.84058 22.55622 115.6162 17.31900 -31.77563      28.43819 
1 1 1 2  10 61  o 132.5425 12.87362 1.253983       0.2326378     1.373640       0.3300314     1.135811       0.3279773     136.7910 17.90229 123.3233 19.94076 13.46769       26.79787 
1 1 1 2  10 62  o 46.13737 15.04958 0.1479290      0.1101584     0.1046222      0.1557036     0.1913292      0.1558716     45.42412 17.52763 52.83123 17.91927 -7.407104      25.06627 
1 1 1 2  10 63  o 59.67164 16.33056 0.2647527      0.1384729     0.2051400      0.1915654     0.3299862      0.2003932     55.76487 19.81019 66.47678 20.11315 -10.71191      28.23088 
1 1 1 2  10 64  o 191.8722 12.42338 2.617632       0.3273800     3.181863       0.4643347     2.059912       0.4616475     209.5799 16.17015 165.9313 20.59111 43.64857       26.18143 
1 1 1 2  10 65  o 65.61913 18.46267 0.3246396      0.1743297     0.2283825      0.3180842     0.3659657      0.2084191     63.72097 24.92180 69.44350 20.39392 -5.722523      32.20261 
1 1 1 2  10 66  o 69.84275 22.78957 0.3665706      0.2525968     0.9350200E-01  0.3520315     0.6563725      0.3626572     59.10223 25.00555 90.22103 27.00375 -31.11880      36.80326 
1 1 1 2  10 67  f 61.37909 24.11677 0.2118675      0.2990146     0.2118675      0.2990146     0.000000       0.000000      61.37909 24.11677 ?        ?        0.000000       24.11677 
1 1 1 2  10 68  o 48.04355 13.70099 0.1703735      0.9533615E-01 0.1216589      0.1344183     0.2196833      0.1352368     44.70582 16.49557 54.42136 16.53571 -9.715542      23.35666 
1 1 1 2  10 69  o 107.1604 13.31560 0.8372363      0.1927826     0.6107023      0.3756362     0.9182387      0.2246205     85.65053 27.78322 111.5531 14.95927 -25.90257      31.55451 
1 1 1 2  10 70  o 108.3727 11.72521 0.8482732      0.1726629     0.8261707      0.2834077     0.8613195      0.2177373     102.4497 20.74522 107.7363 15.04702 -5.286568      25.62766 
1 1 1 2  10 71  o 164.4416 10.08916 1.927026       0.2279822     1.775814       0.3208606     2.081204       0.3239933     154.8163 15.20556 168.5087 14.05255 -13.69243      20.70466 
1 1 1 2  10 72  o 141.5884 10.24602 1.435417       0.1989648     1.340483       0.2797934     1.532534       0.2829913     133.8468 15.42080 143.8655 14.44038 -10.01868      21.12642 
1 1 1 2  10 73  o 97.85685 11.03122 0.6954267      0.1464566     0.7007235      0.2075558     0.6901739      0.2066887     95.60016 16.30821 94.82545 16.37748 0.7747040      23.11233 
1 1 1 2  10 74  o 105.1030 11.18322 0.8044801      0.1598073     0.7540774      0.2251198     0.8556805      0.2268941     98.41326 17.19188 105.6917 16.05167 -7.278419      23.52056 
1 1 1 2  10 75  o 90.63832 11.50400 0.6038103      0.1407368     0.5988485      0.1991221     0.6087630      0.1989420     87.23634 17.14178 88.07565 16.97359 -0.8393021     24.12350 
1 1 1 2  10 76  o 192.5672 10.25190 2.675014       0.2716174     2.800944       0.3824167     2.546808       0.3858564     193.0598 14.45001 183.0478 15.40926 10.01199       21.12459 
1 1 1 2  10 77  o 137.5833 10.63998 1.375731       0.2005651     1.630739       0.2831724     1.119026       0.2841138     147.1703 14.10742 118.8237 17.86933 28.34660       22.76691 
1 1 1 2  10 78  o 92.54381 12.34796 0.6389678      0.1538539     0.6571894      0.2170353     0.6205613      0.2181335     90.31152 18.03536 87.25250 18.66957 3.059021       25.95818 
1 1 1 2  10 79  o 143.4683 10.70988 1.500592       0.2106379     1.401965       0.2959301     1.601872       0.2998832     134.1392 16.31282 144.4531 15.26571 -10.31387      22.34167 
1 1 1 2  10 80  o 99.06025 11.92597 0.7294134      0.1598512     0.8042357      0.2250717     0.6532573      0.2270691     100.8297 16.75367 89.02829 19.04695 11.80137       25.36674 
1 1 1 2  10 81  o 94.13741 12.10525 0.6614034      0.1537067     0.7972636      0.2182861     0.5277901      0.2164735     100.6804 16.25533 79.15169 19.84376 21.52871       25.65172 
1 1 1 2  10 82  o 122.8025 10.93239 1.105859       0.1834402     1.130821       0.2607578     1.081400       0.2581096     120.2872 16.10341 117.3792 16.37043 2.908028       22.96325 
1 1 1 2  10 83  o 110.8283 11.15515 0.9039633      0.1683922     0.8299841      0.2400377     0.9756516      0.2362915     101.6148 17.75362 111.9601 15.71731 -10.34537      23.71128 
1 1 1 2  10 84  o 117.0493 11.12518 1.006853       0.1776479     1.017762       0.2525016     0.9961598      0.2499814     113.7360 16.56429 112.4836 16.59291 1.252472       23.44569 
1 1 1 2  10 85  o 84.12769 12.45970 0.5322337      0.1403621     0.6087964      0.2007364     0.4589877      0.1963404     87.01977 17.31502 74.19418 19.06268 12.82559       25.75259 
1 1 1 2  10 86  o 32.30660 11.82662 0.6543823E-01  0.6889588E-01 -0.5004394E-02 0.1040777     0.1203828      0.9191830E-01 30.21642 13.19489 40.71095 13.76085 -10.49454      19.06479 
1 1 1 2  10 87  o 140.4914 10.88560 1.449168       0.2095253     1.419508       0.2977939     1.478246       0.2948551     134.1685 16.41659 137.5374 15.81339 -3.368866      22.79402 
1 1 1 2  10 88  o 69.43703 14.24244 0.3780571      0.1319753     0.3747918      0.1858178     0.3813809      0.1874758     66.31217 19.19438 66.84858 19.25965 -0.5364075     27.19115 
1 1 1 2  10 89  o 153.0206 11.79956 1.751316       0.2473934     1.498176       0.3228522     2.111367       0.3850400     135.2826 17.70832 160.8816 17.62070 -25.59903      24.98146 
1 1 1 2  10 90  o 46.58574 17.92588 0.1573680      0.1625057     0.3034325      0.2037704     -0.9783976E-01 0.2693492     58.56504 20.46388 41.20839 19.23060 17.35665       28.08178 
1 1 1 2  10 91  o 78.87934 23.53033 0.6290480      0.2757027     0.6290480      0.2757027     0.000000       0.000000      78.87934 23.53033 ?        ?        0.000000       23.53033 
1 1 1 2  10 92  o 63.30043 25.61225 0.4606142      0.3472828     0.4606142      0.3472828     0.000000       0.000000      63.30043 25.61225 ?        ?        0.000000       25.61225 
1 1 1 2  10 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 10  o 170.3268 24.80252 2.164957       0.5662062     2.164957       0.5662062     0.000000       0.000000      170.3268 24.80252 ?        ?        0.000000       24.80252 
1 1 1 2  11 11  o 231.0322 17.43786 3.821066       0.5521941     3.821066       0.5521941     0.000000       0.000000      231.0322 17.43786 ?        ?        0.000000       17.43786 
1 1 1 2  11 12  o 331.3947 16.93102 7.828982       0.7721732     7.828982       0.7721732     0.000000       0.000000      331.3947 16.93102 ?        ?        0.000000       16.93102 
1 1 1 2  11 13  o 173.5967 16.94880 2.162176       0.4010905     2.162176       0.4010905     0.000000       0.000000      173.5967 16.94880 ?        ?        0.000000       16.94880 
1 1 1 2  11 14  o 238.6084 13.58422 4.020607       0.4457159     4.070623       0.5433329     3.917690       0.7793859     238.8011 16.58027 229.5791 24.98928 9.221924       29.98949 
1 1 1 2  11 15  o 134.1226 13.93231 1.280769       0.2542606     1.172208       0.3095061     1.506109       0.4459129     126.9048 18.18212 141.9290 23.58062 -15.02414      29.77642 
1 1 1 2  11 16  f 195.3847 11.75390 2.684708       0.3156348     3.035636       0.4466751     2.334722       0.4460756     206.3316 15.79793 179.8365 18.21481 26.49503       24.11128 
1 1 1 2  11 17  o 222.8175 11.71927 3.489097       0.3593015     4.066442       0.5111938     2.925393       0.5051187     239.0297 15.57305 201.3689 18.36830 37.66089       24.08141 
1 1 1 2  11 18  o 181.2352 11.81737 2.312621       0.2941159     2.107968       0.4114932     2.526371       0.4205398     170.9381 17.68951 187.8310 16.37831 -16.89290      24.10742 
1 1 1 2  11 19  o 259.3406 11.69307 4.715820       0.4187328     4.290232       0.5854570     5.161526       0.5991352     244.5175 17.45461 268.9862 16.20651 -24.46877      23.81836 
1 1 1 2  11 20  o 351.9304 11.83620 8.688983       0.5751841     7.313211       0.7958255     10.19362       0.8322638     319.0172 18.14111 378.7664 15.91298 -59.74924      24.13136 
1 1 1 2  11 21  o 339.2954 11.78269 8.076485       0.5520272     7.582145       0.7744790     8.586991       0.7870412     325.3624 17.30087 347.2685 16.41323 -21.90607      23.84773 
1 1 1 2  11 22  o 250.2597 11.65014 4.393090       0.4025872     4.450311       0.5701494     4.336192       0.5685425     249.3488 16.65516 246.0231 16.83712 3.325714       23.68297 
1 1 1 2  11 23  o 156.0762 11.92079 1.719599       0.2549664     2.273730       0.3644354     1.188331       0.3568385     178.5591 14.91752 126.4236 21.19110 52.13556       25.91515 
1 1 1 2  11 24  o 249.0188 11.67427 4.351069       0.4014207     5.022126       0.5745369     3.711053       0.5610911     265.3707 15.74982 226.8237 18.06434 38.54701       23.96617 
1 1 1 2  11 25  o 218.9857 11.82843 3.376098       0.3563421     3.774359       0.5066314     2.986178       0.5012986     229.7446 16.07138 203.3049 18.04464 26.43970       24.16399 
1 1 1 2  11 26  f 357.1121 11.85520 8.955858       0.5845899     8.579721       0.8216882     9.341382       0.8318758     346.3317 17.18212 361.7592 16.65332 -15.42755      23.92819 
1 1 1 2  11 27  o 316.6577 11.80726 7.041636       0.5162705     6.558056       0.7241734     7.541424       0.7362089     302.1577 17.43085 324.7489 16.47174 -22.59122      23.98234 
1 1 1 2  11 28  o 332.7220 11.89844 7.777313       0.5466501     6.405509       0.7574472     9.268515       0.7897224     297.8315 18.50965 360.8183 15.85068 -62.98682      24.36906 
1 1 1 2  11 29  o 369.3023 11.96868 9.584620       0.6103320     8.458670       0.8474392     10.79806       0.8797465     342.7656 17.96751 389.0110 16.37788 -46.24539      24.31186 
1 1 1 2  11 30  o 232.6644 11.74749 3.811274       0.3761893     3.998038       0.5336374     3.626769       0.5304014     236.1378 16.46913 224.4557 17.24526 11.68208       23.84599 
1 1 1 2  11 31  o 132.7881 12.14211 1.249768       0.2201699     1.632694       0.3139035     0.8789710      0.3088916     150.8669 15.27900 108.0947 21.45197 42.77221       26.33694 
1 1 1 2  11 32  o 70.24959 13.85861 0.3604409      0.1296564     0.4199978      0.1843850     0.3021879      0.1823555     75.03018 18.02293 64.13824 19.13755 10.89194       26.28825 
1 1 1 2  11 33  o 135.6172 12.08863 1.303148       0.2240023     1.429715       0.3176450     1.177938       0.3159361     140.5423 16.69458 126.6796 18.61685 13.86270       25.00592 
1 1 1 2  11 34  o 188.0975 11.84489 2.496127       0.3060752     2.400988       0.4320022     2.592021       0.4337142     182.2421 17.37774 189.7144 16.72760 -7.472260      24.12050 
1 1 1 2  11 35  o 126.0948 12.29000 1.129160       0.2112667     0.8194911      0.2966653     1.447803       0.3009329     104.2637 21.32520 141.8076 15.62803 -37.54394      26.43860 
1 1 1 2  11 36  o 234.7449 11.88262 3.884013       0.3839102     2.994580       0.5353909     4.825377       0.5507990     202.5676 19.37735 259.9520 15.41359 -57.38445      24.76006 
1 1 1 2  11 37  o 346.6704 11.96507 8.453992       0.5727562     7.092487       0.7934425     9.935383       0.8276385     313.1049 18.43351 373.0537 16.06687 -59.94882      24.45278 
1 1 1 2  11 38  o 190.3799 11.92692 2.559107       0.3119534     2.514004       0.4410464     2.604260       0.4412911     186.4258 17.33172 189.9247 17.00704 -3.498932      24.28226 
1 1 1 2  11 39  o 112.2150 12.64980 0.8984863      0.1925877     1.080615       0.2736476     0.7197453      0.2710907     121.8442 16.70454 97.68292 20.73929 24.16129       26.63006 
1 1 1 2  11 40  o 73.32162 14.05989 0.3929512      0.1371687     0.4318414      0.1957036     0.3553970      0.1923127     75.85493 18.78328 68.97683 19.38600 6.878098       26.99312 
1 1 1 2  11 41  o 149.3502 12.26495 1.581471       0.2507015     1.943699       0.3582302     1.233773       0.3509723     164.2474 15.99831 128.7540 20.42297 35.49338       25.94308 
1 1 1 2  11 42  o 207.7041 11.99732 3.046936       0.3426212     3.442430       0.4894309     2.666867       0.4797920     218.7826 16.31835 191.3846 18.38162 27.39804       24.57992 
1 1 1 2  11 43  o 205.6937 12.05587 2.989461       0.3409232     2.620775       0.4814020     3.360412       0.4828777     189.5491 18.63365 216.1314 16.30005 -26.58238      24.75690 
1 1 1 2  11 44  o 184.9191 12.04178 2.418106       0.3057984     2.027946       0.4303211     2.816138       0.4346398     166.2972 19.08573 197.8632 16.04662 -31.56598      24.93510 
1 1 1 2  11 45  o 119.2764 12.55498 1.014234       0.2036750     0.7923498      0.2870418     1.239231       0.2890486     102.3848 21.00791 130.6334 16.38474 -28.24866      26.64192 
1 1 1 2  11 46  o 41.42546 14.07473 0.1137169      0.9616423E-01 -0.1902915E-01 0.1342413     0.2536411      0.1378230     34.44381 15.01468 58.62896 16.38804 -24.18515      22.22630 
1 1 1 2  11 47  o 127.5819 12.57773 1.159392       0.2186965     1.029666       0.3061128     1.294635       0.3125551     117.6552 19.52687 133.1108 17.42319 -15.45555      26.16995 
1 1 1 2  11 48  o 106.7280 13.02564 0.8165760      0.1879793     0.7947615      0.2616067     0.8398630      0.2702916     103.2198 19.05676 106.1390 19.14695 -2.919174      27.01418 
1 1 1 2  11 49  f 178.0963 12.18444 2.246911       0.2978393     2.873847       0.4232328     1.631828       0.4192125     200.0448 15.44145 147.8115 21.14168 52.23332       26.18032 
1 1 1 2  11 50  o 197.9409 12.05826 2.772952       0.3280065     3.469256       0.4676119     2.098492       0.4602190     219.7864 15.50751 168.3381 20.20258 51.44830       25.46816 
1 1 1 2  11 51  o 146.9369 12.37516 1.535205       0.2487470     1.588345       0.3520764     1.482243       0.3514872     147.3362 17.65747 141.9482 18.36298 5.388000       25.47519 
1 1 1 2  11 52  o 59.96326 15.37168 0.2669291      0.1278702     0.2764551      0.1785698     0.2569036      0.1831904     61.41376 19.06292 59.78976 19.40273 1.624004       27.20038 
1 1 1 2  11 53  o 60.13803 14.99852 0.2684927      0.1241273     0.2096570      0.1725715     0.3315620      0.1786724     55.21539 18.85416 66.45913 18.68848 -11.24374      26.54691 
1 1 1 2  11 54  o 69.96775 14.93647 0.3627384      0.1399145     0.2157359      0.1952655     0.5178511      0.2005796     56.73759 20.01717 82.95721 18.02551 -26.21962      26.93707 
1 1 1 2  11 55  o 157.4442 12.45131 1.767177       0.2684861     1.279848       0.3740644     2.285004       0.3855912     129.6759 21.65411 177.4770 15.90294 -47.80107      26.86641 
1 1 1 2  11 56  o 67.10535 21.77969 0.3347605      0.2308207     0.5023873E-01  0.3112169     0.6826169      0.3441164     54.62449 23.32493 92.36074 25.92290 -37.73625      34.87189 
1 1 1 2  11 57  o 78.81832 22.88115 0.4850783      0.2637099     0.1287407      0.3540730     0.9289805      0.3951897     60.66533 25.33549 106.9695 26.80831 -46.30417      36.88594 
1 1 1 2  11 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 59  o 112.8327 18.60363 0.9647764      0.2797450     0.9354620      0.3953051     0.9941841      0.3959341     106.3141 26.90506 109.9933 26.40348 -3.679192      37.69650 
1 1 1 2  11 60  o 110.1399 18.88292 0.9269598      0.2768425     0.7460039      0.3890034     1.112664       0.3940746     93.94711 27.93312 116.8726 25.16332 -22.92549      37.59591 
1 1 1 2  11 61  o 77.24633 15.14635 0.4486026      0.1557823     0.7013298      0.2242999     0.2130933      0.2165246     95.91034 17.58461 56.55678 20.92245 39.35356       27.33070 
1 1 1 2  11 62  o 114.0031 13.58242 0.9535126      0.2096029     1.142341       0.2966407     0.7652370      0.2962064     122.3096 18.11187 97.18897 22.51375 25.12065       28.89479 
1 1 1 2  11 63  o 64.88013 15.68485 0.3229836      0.1389664     0.2898001      0.1937484     0.3581422      0.1994312     61.31614 19.95677 67.23670 20.00249 -5.920567      28.25548 
1 1 1 2  11 64  o 97.20096 14.32319 0.7063504      0.1864797     0.6252326      0.2616399     0.7901031      0.2658549     87.26535 21.78171 99.54427 20.03507 -12.27892      29.59471 
1 1 1 2  11 65  o 91.55545 14.91012 0.6344578      0.1820089     0.6383872      0.2559024     0.6304350      0.2589232     88.13497 21.27071 87.37322 21.58691 0.7617493      30.30574 
1 1 1 2  11 66  o 110.6547 14.09508 0.9171859      0.2104753     0.8051197      0.2940977     1.034846       0.3013487     98.14389 22.21865 113.4989 19.95676 -15.35497      29.86538 
1 1 1 2  11 67  o 103.3444 14.66417 0.8095404      0.2033888     0.7720667      0.2837029     0.8491661      0.2917356     95.88956 21.90633 100.9762 21.57806 -5.086655      30.74899 
1 1 1 2  11 68  o 166.1364 13.46619 2.054253       0.3062632     1.636152       0.4235924     2.512213       0.4433241     139.3532 22.80259 178.6747 18.22395 -39.32158      29.19024 
1 1 1 2  11 69  o 85.38213 16.40096 0.5725964      0.1863357     0.5174326      0.2633850     0.6278720      0.2636522     76.98707 23.00615 85.48033 22.15498 -8.493263      31.93941 
1 1 1 2  11 70  o 104.8436 14.40898 0.8372317      0.2030850     0.8272285      0.2860895     0.8473927      0.2883349     98.78387 21.57773 100.0837 21.50469 -1.299835      30.46392 
1 1 1 2  11 71  o 100.7670 14.98238 0.7815099      0.2021229     1.119592       0.2894961     0.4599613      0.2823287     118.1137 18.34546 71.87097 24.11778 46.24275       30.30220 
1 1 1 2  11 72  o 50.80404 15.57038 0.2013013      0.1195630     0.8971699E-01  0.1668826     0.3189838      0.1713822     43.24741 17.65897 62.32494 18.54289 -19.07753      25.60621 
1 1 1 2  11 73  o 130.2790 10.66988 1.239470       0.1902596     1.237421       0.2684107     1.241538       0.2697295     126.2988 15.73186 126.4600 15.79091 -0.1612167     22.29001 
1 1 1 2  11 74  o 71.67780 13.80363 0.3956790      0.1316638     0.4379205      0.1861336     0.3533765      0.1862680     72.81023 18.48168 65.04900 19.32643 7.761230       26.74104 
1 1 1 2  11 75  o 159.7806 10.54640 1.859541       0.2313752     2.054432       0.3275051     1.665342       0.3269236     164.1755 14.59914 145.8318 16.52694 18.34366       22.05164 
1 1 1 2  11 76  f 175.7285 10.41666 2.244460       0.2516328     2.324972       0.3571699     2.165116       0.3545693     174.3217 14.98398 167.6356 15.49307 6.686035       21.55354 
1 1 1 2  11 77  o 112.4077 11.30767 0.9306913      0.1731304     0.9513611      0.2460462     0.9104209      0.2436580     109.7903 16.76117 107.1513 17.03863 2.639023       23.90087 
1 1 1 2  11 78  o 127.1894 10.82379 1.184050       0.1882864     1.194764       0.2675039     1.173531       0.2650673     123.7813 16.02714 122.6601 16.03374 1.121132       22.67047 
1 1 1 2  11 79  o 74.34464 12.62171 0.4188215      0.1249371     0.5147333      0.1778504     0.3253775      0.1755475     80.22482 16.60216 62.62810 18.79734 17.59671       25.07931 
1 1 1 2  11 80  o 113.9824 11.03759 0.9573218      0.1715441     0.8558035      0.2420452     1.059776       0.2431587     102.9442 17.66377 116.6167 15.48328 -13.67249      23.48916 
1 1 1 2  11 81  o 31.76542 12.74495 0.4517719E-01  0.8521106E-01 0.1420229      0.1232664     -0.4345632E-01 0.1179244     44.29615 15.87447 29.60016 13.40646 14.69598       20.77816 
1 1 1 2  11 82  o 77.42267 12.96346 0.4608168      0.1336889     0.4528854      0.1896955     0.4686435      0.1884401     72.91673 18.73887 74.43510 18.43124 -1.518379      26.28414 
1 1 1 2  11 83  o 77.69749 16.63933 0.4983400      0.1731361     0.7160835      0.2416182     0.2685388      0.2482180     90.56477 19.86736 56.67748 22.05733 33.88729       29.68565 
1 1 1 2  11 84  o 73.95192 20.28366 0.4998788      0.2133494     0.5807679      0.2542271     0.3072444      0.3923230     77.57989 22.44997 59.46325 25.79585 18.11664       34.19688 
1 1 1 2  11 85  f 90.42967 23.86654 0.8325918      0.3023682     0.8325918      0.3023682     0.000000       0.000000      90.42967 23.86654 ?        ?        0.000000       23.86654 
1 1 1 2  11 86  o 75.82476 27.93643 0.7625775      0.3853076     0.7625775      0.3853076     0.000000       0.000000      75.82476 27.93643 ?        ?        0.000000       27.93643 
1 1 1 2  11 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 0   o 223.5664 24.75282 3.704391       0.7401971     0.000000       0.000000      3.704391       0.7401971     223.5664 24.75282 223.5664 24.75282 0.000000       0.000000 
1 1 1 2  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 8   o 97.94122 25.39757 0.7436337      0.3463601     0.000000       0.000000      0.7436337      0.3463601     ?        ?        97.94122 25.39757 0.000000       25.39757 
1 1 1 2  12 9   o 201.3792 24.89557 3.059727       0.6775246     0.000000       0.000000      3.059727       0.6775246     ?        ?        201.3792 24.89557 0.000000       24.89557 
1 1 1 2  12 10  f 70.55528 23.29943 0.3592438      0.2637337     0.000000       0.000000      0.3592438      0.2637337     ?        ?        70.55528 23.29943 0.000000       23.29943 
1 1 1 2  12 11  o 125.4598 17.74328 1.150811       0.2988066     1.180812       0.4225005     1.120789       0.4226522     123.7091 25.57839 120.1557 26.21171 3.553398       36.62387 
1 1 1 2  12 12  o 95.57843 18.71086 0.6797301      0.2381011     0.7106224      0.3381374     0.6493483      0.3353316     95.77110 25.22079 91.60540 25.54724 4.165695       35.89916 
1 1 1 2  12 13  o 135.4624 17.59182 1.337646       0.3212864     1.284496       0.4542405     1.390856       0.4544947     128.6952 26.44572 134.5897 25.38655 -5.894440      36.65860 
1 1 1 2  12 14  o 78.53291 19.07998 0.4630880      0.2048617     0.4028834      0.2897578     0.5232596      0.2896786     74.23882 24.41741 82.82054 23.96354 -8.581718      34.21201 
1 1 1 2  12 15  o 208.8052 16.99349 3.143751       0.4857109     3.250446       0.6875334     3.037450       0.6862665     207.8140 24.42562 200.1643 25.40127 7.649719       35.23969 
1 1 1 2  12 16  o 211.9609 17.08077 3.240765       0.4956781     4.389158       0.7159492     2.183550       0.6869397     243.9726 21.47087 165.5822 31.18886 78.39043       37.86480 
1 1 1 2  12 17  o 120.0410 18.19980 1.058925       0.2922114     1.333099       0.4159192     0.7916785      0.4106302     132.5251 23.59343 100.1587 28.39017 32.36639       36.91412 
1 1 1 2  12 18  o 121.8301 18.36352 1.091390       0.2993281     1.601956       0.4287568     0.6059509      0.4180732     146.3960 21.88154 89.04289 29.33183 57.35309       36.59451 
1 1 1 2  12 19  o 156.5670 17.58305 1.782007       0.3735583     1.033152       0.5176480     2.595779       0.5396190     112.8559 31.83612 187.3062 21.23946 -74.45033      38.27079 
1 1 1 2  12 20  o 140.7574 18.05526 1.448084       0.3428341     0.7567595      0.4797436     2.169590       0.4901038     97.87751 31.36156 171.0788 21.20112 -73.20133      37.85545 
1 1 1 2  12 21  o 265.2749 13.71482 4.994935       0.5006528     4.627025       0.6070597     5.777318       0.8852576     253.1481 17.47374 278.4760 23.23420 -25.32790      29.07162 
1 1 1 2  12 22  o 173.9090 13.88610 2.155512       0.3306769     2.009275       0.4013985     2.464369       0.5833453     166.2322 17.76226 180.7858 23.95829 -14.55360      29.82444 
1 1 1 2  12 23  o 205.5310 13.84753 3.005528       0.3907054     2.477368       0.4711207     4.168867       0.6992019     184.2090 18.78466 237.4906 21.55636 -53.28162      28.59266 
1 1 1 2  12 24  o 140.7373 12.06279 1.404426       0.2321547     1.412224       0.3291768     1.396708       0.3274624     139.1609 17.51892 138.3810 17.53059 0.7798615      24.78375 
1 1 1 2  12 25  o 175.6846 11.92571 2.182170       0.2875916     2.779241       0.4119288     1.614394       0.4016961     196.9570 15.26578 147.6683 20.23231 49.28868       25.34542 
1 1 1 2  12 26  o 120.6678 12.41784 1.036835       0.2039532     1.282319       0.2905260     0.7982976      0.2863854     133.0357 16.14622 102.8605 20.87670 30.17528       26.39199 
1 1 1 2  12 27  o 254.6191 11.74664 4.562009       0.4129928     4.946484       0.5878150     4.187203       0.5803761     262.4035 16.30371 240.5775 17.59296 21.82602       23.98590 
1 1 1 2  12 28  f 149.0940 12.10762 1.575794       0.2471094     1.286951       0.3482666     1.868649       0.3506769     131.7732 19.74856 160.9576 15.98985 -29.18434      25.41025 
1 1 1 2  12 29  o 122.9332 12.32735 1.075554       0.2064365     0.9443586      0.2908987     1.208653       0.2930032     112.6605 19.39957 128.7982 16.88142 -16.13773      25.71626 
1 1 1 2  12 30  o 170.7498 11.98884 2.063142       0.2808753     1.594977       0.3930653     2.551625       0.4015045     146.8449 19.89753 188.4742 15.56700 -41.62938      25.26348 
1 1 1 2  12 31  o 144.8611 12.21365 1.489211       0.2420279     0.9650413      0.3377837     2.042244       0.3469590     112.5853 22.51462 168.6954 15.05302 -56.11008      27.08324 
1 1 1 2  12 32  o 108.5218 12.71178 0.8423082      0.1868764     0.6705025      0.2620766     1.020024       0.2665465     94.06459 20.73563 118.1568 16.81123 -24.09221      26.69427 
1 1 1 2  12 33  o 129.3935 12.28343 1.190854       0.2168364     1.347772       0.3071339     1.034916       0.3061744     136.1286 16.68911 117.9524 19.47850 18.17627       25.65031 
1 1 1 2  12 34  o 160.9298 12.21639 1.836553       0.2694412     2.382518       0.3813489     1.292312       0.3807466     182.1154 15.30681 130.9611 21.82302 51.15437       26.65600 
1 1 1 2  12 35  o 368.7036 12.06475 9.586750       0.6142335     11.59194       0.8896034     7.759892       0.8491244     402.2288 16.01715 326.2956 18.92744 75.93320       24.79511 
1 1 1 2  12 36  o 124.9925 12.42937 1.113546       0.2116765     1.104958       0.2972287     1.122384       0.3015291     122.4184 18.13185 123.3453 18.25524 -0.9268265     25.72970 
1 1 1 2  12 37  o 123.8091 12.48081 1.093430       0.2104594     1.008513       0.2948106     1.181681       0.3005412     116.4580 18.98742 126.8307 17.63844 -10.37264      25.91596 
1 1 1 2  12 38  o 75.86958 14.16749 0.4218259      0.1429636     0.3787498      0.1996246     0.4671816      0.2048385     70.83582 19.69573 78.59547 19.06890 -7.759651      27.41431 
1 1 1 2  12 39  o 90.87144 13.46975 0.5979334      0.1638971     0.5517215      0.2280423     0.6473091      0.2357194     85.24369 19.75928 92.72078 19.04836 -7.477089      27.44575 
1 1 1 2  12 40  o 113.7611 12.90973 0.9282889      0.1992001     0.5742279      0.2752675     1.317559       0.2886302     86.08531 22.79676 134.6331 15.82783 -48.54784      27.75270 
1 1 1 2  12 41  o 158.2876 12.46407 1.784559       0.2702196     1.136893       0.3742009     2.490323       0.3906243     121.4493 23.15898 185.7473 15.36799 -64.29807      27.79413 
1 1 1 2  12 42  o 128.0740 15.39322 1.193077       0.2667726     2.017823       0.3237427     -0.5516357     0.4708710     167.5791 14.12241 49.62207 23.80715 117.9570       27.68073 
1 1 1 2  12 43  o 239.3856 18.51997 4.218669       0.6074129     7.521078       0.8970916     1.422982       0.8254024     317.7718 20.55494 123.2527 41.23813 194.5190       46.07698 
1 1 1 2  12 44  o 86.69867 21.75558 0.5847044      0.2600267     1.109007       0.3647275     0.4275500E-01  0.3708147     119.5270 22.93271 58.32078 25.18941 61.20624       34.06487 
1 1 1 2  12 45  o 65.01082 21.03049 0.3148111      0.2153403     0.4698876      0.2907837     0.1264815      0.3204471     77.60292 24.36513 58.44410 24.22909 19.15882       34.36144 
1 1 1 2  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 47  o 192.9061 17.30788 2.754382       0.4561240     2.614502       0.6450861     2.894235       0.6450274     179.9807 26.77227 191.1282 25.04337 -11.14749      36.65958 
1 1 1 2  12 48  o 121.5129 18.38574 1.117034       0.2988482     0.8662345      0.4207181     1.372457       0.4245788     100.8459 28.78975 130.9342 24.38088 -30.08838      37.72635 
1 1 1 2  12 49  o 115.0135 15.15980 0.9778683      0.2348908     0.6658180      0.2890472     1.584642       0.4030602     90.85535 23.01407 142.9497 21.04983 -52.09434      31.18883 
1 1 1 2  12 50  o 126.1439 12.99175 1.156971       0.2230563     0.9693567      0.3100434     1.358265       0.3211481     111.0149 20.99478 133.9952 17.79745 -22.98030      27.52326 
1 1 1 2  12 51  o 77.25100 15.03940 0.4501014      0.1546542     0.3710986      0.2099429     0.5438396      0.2286852     68.55521 20.55206 82.74930 20.19236 -14.19409      28.81178 
1 1 1 2  12 52  o 53.19007 15.67206 0.2142067      0.1229015     0.2448125      0.1682213     0.1791675      0.1799931     56.95205 18.59856 51.82456 19.09392 5.127491       26.65491 
1 1 1 2  12 53  o 40.07525 14.48544 0.1032074      0.1028843     0.7793809E-01  0.1389386     0.1338863      0.1530894     40.90738 16.32245 46.48983 17.51430 -5.582451      23.94103 
1 1 1 2  12 54  o 36.61708 12.71061 0.8996150E-01  0.7855152E-01 0.2496482      0.1075084     -0.9292151E-01 0.1150521     57.29966 13.76094 27.10118 12.62081 30.19847       18.67212 
1 1 1 2  12 55  f 63.13119 15.18283 0.3078881      0.1307321     0.5488220      0.1834223     0.5912226E-01  0.1863796     84.19138 16.36729 43.60033 18.30686 40.59104       24.55665 
1 1 1 2  12 56  o 52.20482 15.98475 0.2092218      0.1260450     0.1170783      0.1749959     0.3085631      0.1817024     46.29955 18.36731 62.09373 19.22206 -15.79419      26.58657 
1 1 1 2  12 57  o 62.00914 15.62769 0.3007456      0.1337615     0.2297995      0.1856595     0.3773188      0.1928818     55.20241 19.51396 67.93589 19.52446 -12.73348      27.60433 
1 1 1 2  12 58  o 121.1104 13.53449 1.096789       0.2224695     1.054418       0.3122413     1.140476       0.3170527     113.2616 20.72892 118.4266 20.10758 -5.165077      28.87911 
1 1 1 2  12 59  f 68.46461 16.13014 0.3702055      0.1499841     0.3060328      0.2086107     0.4388717      0.2157907     61.40006 20.73074 72.31149 20.60988 -10.91143      29.23236 
1 1 1 2  12 60  o 51.25743 16.41528 0.2030757      0.1314477     0.3647168E-01  0.1825577     0.3824453      0.1894226     41.46018 17.78813 68.03349 19.28161 -26.57331      26.23353 
1 1 1 2  12 61  o 55.30630 16.38565 0.2420399      0.1340346     0.2934076      0.1865216     0.1871907      0.1927385     60.03243 19.58309 51.70532 19.61075 8.327110       27.71424 
1 1 1 2  12 62  o 88.87939 15.01506 0.6110384      0.1777100     0.6747977      0.2499232     0.5458338      0.2527401     89.46146 20.65042 79.10458 22.22098 10.35687       30.33499 
1 1 1 2  12 63  o 108.9679 14.33211 0.9060155      0.2104172     1.091150       0.2989732     0.7243047      0.2961959     115.4589 19.44374 90.13566 23.54156 25.32322       30.53300 
1 1 1 2  12 64  o 57.78165 16.21964 0.2665948      0.1347075     0.2989426      0.1903043     0.2341100      0.1907067     60.26598 19.78658 54.95523 19.73976 5.310745       27.94936 
1 1 1 2  12 65  o 116.8702 14.23263 1.040867       0.2249388     0.9102252      0.3175921     1.172366       0.3186336     101.7207 23.13367 118.9583 20.11522 -17.23765      30.65598 
1 1 1 2  12 66  o 57.64206 16.71183 0.2666559      0.1407576     0.3229814      0.1964980     0.2072924      0.2017277     62.23945 20.08469 53.24154 20.09412 8.997910       28.41071 
1 1 1 2  12 67  o 78.70158 16.55259 0.4938947      0.1741792     0.5875168      0.2449953     0.3982098      0.2476798     82.57849 21.33420 67.67672 22.59002 14.90177       31.07180 
1 1 1 2  12 68  o 55.09361 16.33007 0.2412991      0.1331042     0.2493728      0.1889586     0.2333476      0.1875252     56.14354 19.70113 54.83361 19.58727 1.309933       27.78121 
1 1 1 2  12 69  o 96.33716 15.27870 0.7202145      0.1964611     1.066506       0.2788972     0.3791352      0.2767906     115.1829 18.13517 66.20700 23.78125 48.97594       29.90706 
1 1 1 2  12 70  o 71.98882 17.61055 0.4225206      0.1736149     0.5405257      0.2435227     0.3005457      0.2475849     78.77086 21.69749 60.71197 22.39003 18.05889       31.17843 
1 1 1 2  12 71  o 115.6494 14.55417 1.026458       0.2272699     0.8842927      0.3197524     1.171605       0.3230899     99.36678 23.64647 118.2189 20.53764 -18.85216      31.32012 
1 1 1 2  12 72  o 89.30000 16.56109 0.6371347      0.1966913     0.9395893      0.2767314     0.3283370      0.2796181     106.1860 19.59545 62.40782 23.63249 43.77814       30.69978 
1 1 1 2  12 73  o 49.71292 17.10025 0.1920703      0.1420201     0.1760537      0.1950870     0.2101286      0.2071488     50.22300 19.55210 53.00474 20.27626 -2.781742      28.16756 
1 1 1 2  12 74  o 68.58926 17.40898 0.3919249      0.1651623     0.4014971      0.2311065     0.3819327      0.2361239     66.72778 21.79983 65.12724 22.05516 1.600533       31.01068 
1 1 1 2  12 75  o 36.93352 15.13107 0.6302009E-01  0.1230349     0.1242599      0.1693371     -0.5458341E-02 0.1790656     44.71376 17.95725 37.88519 16.88909 6.828571       24.65166 
1 1 1 2  12 76  o 30.20352 14.29871 -0.1315196     0.1585284     -0.3624782     0.2452690     0.3419581E-01  0.2077576     32.38045 15.90112 41.66000 18.40141 -9.279549      24.31990 
1 1 1 2  12 77  o ?        ?        -0.3282185     0.7933551E-01 -0.5682123     0.1545531     -0.2423553     0.9244451E-01 19.85375 10.11336 17.70737 8.870442 2.146387       13.45231 
1 1 1 2  12 78  o 64.56723 24.75708 0.4706100      0.3092688     0.4706100      0.3092688     0.000000       0.000000      64.56723 24.75708 ?        ?        0.000000       24.75708 
1 1 1 2  12 79  o 59.39207 23.82757 0.4028881      0.2978130     0.4028881      0.2978130     0.000000       0.000000      59.39207 23.82757 ?        ?        0.000000       23.82757 
1 1 1 2  12 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 1   o 77.08982 24.95352 0.4466943      0.3031371     0.4466943      0.3031371     0.000000       0.000000      77.08982 24.95352 ?        ?        0.000000       24.95352 
1 1 1 2  13 2   o 11.85812 5.978975 -0.1471111     0.4566524E-01 -0.1471111     0.4566524E-01 0.000000       0.000000      11.85812 5.978975 ?        ?        0.000000       5.978975 
1 1 1 2  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 8   o 62.09747 22.45876 0.2528464      0.2473718     0.000000       0.000000      0.2528464      0.2473718     ?        ?        62.09747 22.45876 0.000000       22.45876 
1 1 1 2  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 11  o 66.21104 22.73011 0.3101618      0.2508670     0.3101618      0.2508670     0.000000       0.000000      66.21104 22.73011 ?        ?        0.000000       22.73011 
1 1 1 2  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 16  o 126.9159 27.10584 1.279608       0.4605896     0.000000       0.000000      1.279608       0.4605896     ?        ?        126.9159 27.10584 0.000000       27.10584 
1 1 1 2  13 17  o 26.32343 12.57238 -0.1660498     0.1281293     0.000000       0.000000      -0.1660498     0.1281293     ?        ?        26.32343 12.57238 0.000000       12.57238 
1 1 1 2  13 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 19  o 125.0394 26.33898 1.238966       0.4404022     1.238966       0.4404022     0.000000       0.000000      125.0394 26.33898 ?        ?        0.000000       26.33898 
1 1 1 2  13 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 25  o 60.84237 23.01124 0.2292442      0.2649032     0.000000       0.000000      0.2292442      0.2649032     ?        ?        60.84237 23.01124 0.000000       23.01124 
1 1 1 2  13 26  o ?        ?        -0.6690764     0.6764243E-01 0.000000       0.000000      -0.6690764     0.6764243E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 2  13 27  o 117.9955 18.84692 1.049966       0.2967412     0.000000       0.000000      1.049966       0.2967412     ?        ?        117.9955 18.84692 0.000000       18.84692 
1 1 1 2  13 28  o 153.8165 26.09056 1.896326       0.5343430     0.000000       0.000000      1.896326       0.5343430     ?        ?        153.8165 26.09056 0.000000       26.09056 
1 1 1 2  13 29  o 111.1838 26.59638 1.015781       0.4028346     0.000000       0.000000      1.015781       0.4028346     ?        ?        111.1838 26.59638 0.000000       26.59638 
1 1 1 2  13 30  o 74.28652 24.25676 0.4320595      0.2861491     0.000000       0.000000      0.4320595      0.2861491     ?        ?        74.28652 24.25676 0.000000       24.25676 
1 1 1 2  13 31  o 140.5811 18.02281 1.485697       0.3417986     1.734828       0.4874490     1.244722       0.4794039     147.0233 24.89949 120.9269 29.06954 26.09638       38.27562 
1 1 1 2  13 32  o 90.14375 16.14320 0.6109540      0.1935593     0.4141855      0.2381861     0.9935682      0.3321384     72.48550 21.92715 112.0090 22.25906 -39.52351      31.24525 
1 1 1 2  13 33  o 80.33276 16.54099 0.4906396      0.1773693     0.3259488      0.2173416     0.8190290      0.3069040     65.17766 21.13252 101.0789 22.56071 -35.90128      30.91228 
1 1 1 2  13 34  o 115.4535 13.16487 0.9725353      0.2061225     0.6327529      0.2848410     1.346065       0.2986516     88.13678 23.11806 134.1673 16.46620 -46.03047      28.38275 
1 1 1 2  13 35  o 136.1549 12.88722 1.348027       0.2394044     1.297429       0.3331545     1.402053       0.3442563     129.7614 19.17078 135.0987 18.97746 -5.337250      26.97522 
1 1 1 2  13 36  o 70.75565 15.42891 0.3813543      0.1464938     0.3947885      0.2032432     0.3668284      0.2113411     70.53197 19.96668 68.04902 20.67013 2.482956       28.73886 
1 1 1 2  13 37  o 54.64277 15.42500 0.2273920      0.1214761     0.2984808      0.1706796     0.1544171      0.1729288     61.91100 18.52423 49.46806 18.61883 12.44294       26.26420 
1 1 1 2  13 38  o 96.35155 14.13984 0.6921572      0.1825258     0.6267352      0.2538983     0.7621304      0.2625814     87.83735 21.18006 97.77872 20.11938 -9.941376      29.21274 
1 1 1 2  13 39  o 68.79175 15.62846 0.3645818      0.1450768     0.3957385      0.2023428     0.3316210      0.2081182     70.11653 19.94801 64.58347 20.65214 5.533066       28.71296 
1 1 1 2  13 40  o 107.7390 13.79512 0.8638218      0.2005148     0.6798738      0.2809327     1.054845       0.2862846     90.15102 22.60848 116.1399 18.47013 -25.98887      29.19399 
1 1 1 2  13 41  o 80.05970 15.08395 0.4899956      0.1606334     0.4284632      0.2240146     0.5551212      0.2304624     72.09012 21.13520 82.40465 20.36997 -10.31453      29.35357 
1 1 1 2  13 42  o 93.54380 14.43037 0.6614119      0.1803977     0.6407605      0.2536167     0.6825606      0.2566521     87.95175 21.14397 91.04800 20.86167 -3.096245      29.70315 
1 1 1 2  13 43  o 55.63643 16.17846 0.2414319      0.1317407     0.2592928      0.1830571     0.2222429      0.1897415     57.65877 19.41982 54.78129 19.68842 2.877476       27.65436 
1 1 1 2  13 44  o 89.94283 14.55432 0.6158482      0.1745827     0.5556466      0.2421096     0.6810588      0.2519804     81.29588 21.30869 90.75558 20.58112 -9.459702      29.62503 
1 1 1 2  13 45  o 59.59129 16.19320 0.2801956      0.1367219     0.3098671      0.1887641     0.2474519      0.1982960     61.82578 19.65768 56.76245 20.15620 5.063324       28.15487 
1 1 1 2  13 46  o 53.83024 16.16778 0.2265752      0.1298354     0.9133845E-01  0.1790346     0.3765944      0.1885658     44.54952 18.25205 67.68179 19.25750 -23.13227      26.53278 
1 1 1 2  13 47  f 40.38691 15.08558 0.1031910      0.1131029     0.3114306E-01  0.1556697     0.1837498      0.1646076     38.70146 16.51035 50.41444 18.30706 -11.71298      24.65239 
1 1 1 2  13 48  o 86.12820 14.66156 0.5702212      0.1681195     0.5311384      0.2366606     0.6100369      0.2388687     78.92393 21.24561 85.23460 20.53815 -6.310661      29.54981 
1 1 1 2  13 49  o 97.83348 14.24299 0.7295979      0.1867622     0.7557724      0.2618733     0.7025049      0.2664290     95.04134 20.55273 90.69273 21.58665 4.348610       29.80601 
1 1 1 2  13 50  o 50.68407 15.95565 0.1995014      0.1246062     0.1882390      0.1740940     0.2113311      0.1784255     50.95283 18.77757 52.94903 19.08557 -1.996204      26.77417 
1 1 1 2  13 51  o 76.12242 15.48441 0.4546863      0.1572187     0.5603911      0.2215160     0.3473922      0.2231750     81.83645 19.81446 64.17751 21.44331 17.65894       29.19638 
1 1 1 2  13 52  o 81.26431 15.44740 0.5167435      0.1670017     0.3055583      0.2328390     0.7404847      0.2396608     61.02870 21.82316 95.10523 18.91544 -34.07653      28.87982 
1 1 1 2  13 53  o 61.09405 16.45285 0.2994631      0.1418933     0.2903305      0.1979980     0.3091055      0.2034479     59.56326 20.19612 61.09975 20.47338 -1.536495      28.75835 
1 1 1 2  13 54  o 64.60432 16.30270 0.3342475      0.1454336     0.3684102      0.2014121     0.2970321      0.2102187     66.08154 20.20167 60.15134 20.79826 5.930206       28.99440 
1 1 1 2  13 55  o 108.2338 14.32665 0.8947623      0.2088518     0.9689084      0.2941183     0.8193496      0.2966196     107.6190 20.54161 96.90209 22.58558 10.71688       30.52976 
1 1 1 2  13 56  o 59.89735 16.73870 0.2884526      0.1438016     0.5409487      0.2010300     0.2386870E-01  0.2057857     81.31517 18.34098 42.54098 18.56594 38.77419       26.09762 
1 1 1 2  13 57  o 50.22159 16.41961 0.1948877      0.1310997     0.1334751      0.1794281     0.2652206      0.1920174     47.06712 18.62164 57.50574 19.87784 -10.43863      27.23773 
1 1 1 2  13 58  o 50.56422 16.50266 0.1980588      0.1324508     0.1466210      0.1816818     0.2564088      0.1935042     48.10512 18.82922 56.80620 19.93652 -8.701080      27.42270 
1 1 1 2  13 59  o 41.96556 15.26699 0.1200683      0.1145531     0.1772463      0.1559183     0.5300488E-01  0.1688596     49.22935 17.82640 41.02166 17.33507 8.207691       24.86534 
1 1 1 2  13 60  o 72.64193 16.38256 0.4221239      0.1604085     0.4358504      0.2245490     0.4078195      0.2292271     70.99780 21.24833 68.59830 21.64658 2.399498       30.33259 
1 1 1 2  13 61  o 72.77700 16.09495 0.4228330      0.1574493     0.3906964      0.2210564     0.4559236      0.2243131     67.23409 21.26169 72.48753 21.12006 -5.253441      29.96859 
1 1 1 2  13 62  o 44.20538 15.91398 0.1396295      0.1240135     0.2140463      0.1720971     0.5924760E-01  0.1788616     52.53376 18.76439 41.97501 17.79515 10.55875       25.86058 
1 1 1 2  13 63  o 81.65717 15.95555 0.5325670      0.1734546     0.8224453      0.2450409     0.2414506      0.2455637     99.84221 18.45380 56.14574 21.91440 43.69647       28.64932 
1 1 1 2  13 64  o 72.94746 16.51681 0.4344406      0.1625012     0.3498764      0.2267434     0.5237415      0.2330073     62.92934 21.60927 76.54345 21.27759 -13.61411      30.32649 
1 1 1 2  13 65  o 87.02965 15.74368 0.6095478      0.1822312     0.7674174      0.2557333     0.4466913      0.2597412     93.62069 20.36210 68.74718 23.13259 24.87351       30.81772 
1 1 1 2  13 66  o 26.23236 12.60248 -0.1578595     0.1329356     -0.1241966     0.2079138     -0.1811370     0.1728923     35.50141 16.67275 30.17968 14.46514 5.321728       22.07308 
1 1 1 2  13 67  o 35.97372 16.02743 -0.1171252E-02 0.1610019     -0.1772844     0.2498617     0.1238693      0.2105374     36.98457 17.63441 46.06534 19.40548 -9.080772      26.22108 
1 1 1 2  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 7   o 38.28042 17.35667 -0.7268178E-01 0.1982712     0.000000       0.000000      -0.7268178E-01 0.1982712     ?        ?        38.28042 17.35667 0.000000       17.35667 
1 1 1 2  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 10  o 34.82251 15.68844 -0.5381528E-01 0.1590268     -0.5381528E-01 0.1590268     0.000000       0.000000      34.82251 15.68844 ?        ?        0.000000       15.68844 
1 1 1 2  14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 16  o ?        ?        -0.3097796     0.7536879E-01 0.000000       0.000000      -0.3097796     0.7536879E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 2  14 17  o 41.93644 17.93017 0.3509667E-01  0.1843326     0.000000       0.000000      0.3509667E-01  0.1843326     ?        ?        41.93644 17.93017 0.000000       17.93017 
1 1 1 2  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 19  o 38.29600 17.11516 -0.3585494E-01 0.1851338     -0.3585494E-01 0.1851338     0.000000       0.000000      38.29600 17.11516 ?        ?        0.000000       17.11516 
1 1 1 2  14 20  o 20.87757 10.07676 -0.1288786     0.8735399E-01 -0.1288786     0.8735399E-01 0.000000       0.000000      20.87757 10.07676 ?        ?        0.000000       10.07676 
1 1 1 2  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 26  o 73.63881 26.00425 0.4858472      0.3296149     0.000000       0.000000      0.4858472      0.3296149     ?        ?        73.63881 26.00425 0.000000       26.00425 
1 1 1 2  14 27  o 41.30017 16.00014 0.9880855E-01  0.1301518     0.3031270      0.1622186     -0.2703555     0.2180503     61.29856 17.98932 33.14726 15.97895 28.15130       24.06122 
1 1 1 2  14 28  o 46.11993 17.80505 0.1328674      0.1607345     0.2362973      0.2086186     -0.1822101E-01 0.2521423     55.95108 20.56499 44.57511 19.94384 11.37598       28.64743 
1 1 1 2  14 29  o 44.42054 16.11074 0.1361820      0.1274240     0.2924100      0.1483190     -0.3040832     0.2489858     60.41054 17.04114 35.18965 16.99148 25.22089       24.06473 
1 1 1 2  14 30  o 37.89441 14.44460 0.8474296E-01  0.1048949     0.1923210      0.1486213     -0.2203515E-01 0.1480677     50.52101 17.48658 34.76832 15.43705 15.75269       23.32558 
1 1 1 2  14 31  o 41.85677 15.23812 0.1181960      0.1141492     0.2407898E-02  0.1583695     0.2433924      0.1646779     37.20566 16.26096 55.47961 18.41545 -18.27394      24.56721 
1 1 1 2  14 32  o 61.35340 16.06778 0.2995160      0.1377375     0.2912227      0.1918845     0.3083313      0.1978320     59.79078 19.88008 61.22888 20.17758 -1.438103      28.32583 
1 1 1 2  14 33  o 41.52407 15.21275 0.1152979      0.1140272     -0.3965060E-01 0.1568725     0.2888749      0.1660349     34.78244 15.63435 59.63206 18.36058 -24.84962      24.11522 
1 1 1 2  14 34  o 67.39743 16.28737 0.3624957      0.1498905     0.4904433      0.2107006     0.2313998      0.2132771     76.46763 19.79908 55.45840 20.71551 21.00923       28.65546 
1 1 1 2  14 35  o 60.43787 16.53937 0.2928529      0.1420412     0.3517911      0.1977328     0.2300117      0.2041752     64.80728 20.05041 55.06051 20.32735 9.746773       28.55206 
1 1 1 2  14 36  o 63.95429 16.58124 0.3284830      0.1476487     0.3277574      0.2080992     0.3292185      0.2095217     62.65129 20.69688 62.76250 20.76912 -0.1112022     29.32094 
1 1 1 2  14 37  o 117.2179 14.19540 1.045402       0.2250785     1.039963       0.3146015     1.051106       0.3221508     110.9098 21.31693 111.0632 21.78468 -0.1534576     30.47923 
1 1 1 2  14 38  o 44.05330 15.92197 0.1356023      0.1242985     0.1991702      0.1705481     0.6358028E-01  0.1815352     51.61913 18.65130 42.72794 18.01053 8.891193       25.92779 
1 1 1 2  14 39  o 58.03032 18.55325 0.2727945      0.1679712     0.2884202      0.2918799     0.2650572      0.2053902     60.98783 23.86755 57.67433 20.50999 3.313499       31.46935 
1 1 1 2  14 40  o 93.05534 18.49601 0.7048526      0.2292885     0.9656375E-01  0.3905829     1.024708       0.2832274     56.32765 25.03773 112.2389 18.94960 -55.91127      31.40024 
1 1 1 2  14 41  f 53.29579 17.54658 0.2230372      0.1496170     -0.2381379     0.2656065     0.4373893      0.1810796     38.21345 18.20962 73.14795 18.04068 -34.93450      25.63311 
1 1 1 2  14 42  o 16.53254 8.346704 -0.2888236     0.9064480E-01 -0.3647079     0.1198566     -0.1874266     0.1385474     19.23302 9.696068 26.37879 12.72144 -7.145771      15.99527 
1 1 1 2  14 43  o 28.99847 13.61695 -0.1174010     0.1386076     -0.5240910E-01 0.1945867     -0.1843446     0.1974869     38.04749 17.22790 33.41471 15.85945 4.632774       23.41629 
1 1 1 2  14 44  o 39.93776 17.19462 0.2971922E-01  0.1716745     -0.7565556E-01 0.2443506     0.1324350      0.2412480     41.50530 18.99087 50.54716 20.99460 -9.041862      28.30947 
1 1 1 2  14 45  o 47.28045 19.13926 0.1239159      0.1940244     0.7273293E-01  0.2745137     0.1750081      0.2742703     49.53637 21.53374 54.32121 22.45910 -4.784832      31.11452 
1 1 1 2  14 46  o 34.24419 15.50494 -0.5064609E-01 0.1575875     0.4765184E-01  0.2313370     -0.1357528     0.2152558     45.54954 19.78421 36.73331 17.15874 8.816223       26.18849 
1 1 1 2  14 47  o 29.22433 13.67119 -0.1070476     0.1374759     -0.9031833E-01 0.2128257     -0.1190263     0.1800896     38.09866 17.53905 33.75803 15.74398 4.340626       23.56886 
1 1 1 2  14 48  o 18.55917 9.239841 -0.2255231     0.9371493E-01 -0.2291807     0.1599003     -0.2236094     0.1156617     27.68394 13.42684 21.98317 10.81981 5.700766       17.24379 
1 1 1 2  14 49  o ?        ?        -0.4352712     0.1061936     -0.3494090     0.1626042     -0.4991287     0.1402286     24.90069 12.35913 19.46820 9.888790 5.432487       15.82833 
1 1 1 2  14 50  o 29.47116 13.07350 -0.1833448E-01 0.1059694     -0.1220372     0.1241814     0.2594974      0.2032602     26.69334 12.64224 56.47643 20.36848 -29.78309      23.97293 
1 1 1 2  14 51  o 39.04827 15.58225 0.8252164E-01  0.1266349     0.9880900E-01  0.1513660     0.4453170E-01  0.2311731     42.16965 16.96280 44.67706 19.58313 -2.507408      25.90821 
1 1 1 2  14 52  o 23.42860 10.85728 -0.5878722E-01 0.8354738E-01 -0.1961492E-01 0.1135663     -0.1049969     0.1233464     30.26245 13.47349 27.17760 12.78847 3.084854       18.57633 
1 1 1 2  14 53  o 36.92704 15.18601 0.6164944E-01  0.1245180     0.4851236E-01  0.1494090     0.9152284E-01  0.2253045     38.21121 16.23494 45.94857 19.73886 -7.737358      25.55770 
1 1 1 2  14 54  o 42.84969 17.78111 0.9797771E-01  0.1728202     0.3361818      0.2490571     -0.1232230     0.2400036     60.33929 22.41590 38.12696 17.90819 22.21233       28.69105 
1 1 1 2  14 55  o 16.31129 8.193158 -0.2287769     0.8151857E-01 -0.2835679     0.1171881     -0.1774064     0.1134711     20.33624 10.15738 22.78471 11.10909 -2.448473      15.05272 
1 1 1 2  14 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 7   f 34.21436 15.65488 -0.7303144E-01 0.1660443     0.000000       0.000000      -0.7303144E-01 0.1660443     ?        ?        34.21436 15.65488 0.000000       15.65488 
1 1 1 2  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 10  o 58.61085 22.92781 0.2549658      0.2692623     0.2549658      0.2692623     0.000000       0.000000      58.61085 22.92781 ?        ?        0.000000       22.92781 
1 1 1 2  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 17  o 33.56344 15.25401 -0.5849554E-01 0.1543017     0.000000       0.000000      -0.5849554E-01 0.1543017     ?        ?        33.56344 15.25401 0.000000       15.25401 
1 1 1 2  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 20  o 33.22423 15.10608 -0.5851020E-01 0.1515230     -0.5851020E-01 0.1515230     0.000000       0.000000      33.22423 15.10608 ?        ?        0.000000       15.10608 
1 1 1 2  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 27  o 15.67979 7.901376 -0.2430369     0.7912431E-01 0.000000       0.000000      -0.2430369     0.7912431E-01 ?        ?        15.67979 7.901376 0.000000       7.901376 
1 1 1 2  15 28  o 47.86218 20.64244 0.7891499E-01  0.2483018     0.000000       0.000000      0.7891499E-01  0.2483018     ?        ?        47.86218 20.64244 0.000000       20.64244 
1 1 1 2  15 29  o 34.84666 16.23920 -0.1166184     0.1910126     0.000000       0.000000      -0.1166184     0.1910126     ?        ?        34.84666 16.23920 0.000000       16.23920 
1 1 1 2  15 30  o 24.13218 11.24921 -0.7248760E-01 0.9176187E-01 -0.7516108E-01 0.1022162     -0.6138680E-01 0.2082852     25.65336 11.92967 38.55559 17.59988 -12.90223      21.26200 
1 1 1 2  15 31  o 42.16830 16.30027 0.1120536      0.1348478     0.7773437E-01  0.1581616     0.2034083      0.2580463     41.29504 17.06276 54.22112 22.02863 -12.92607      27.86393 
1 1 1 2  15 32  o 51.76372 17.66762 0.2141317      0.1515337     0.3181274      0.1790387     -0.4850435E-01 0.2845224     61.15054 19.10549 44.60335 20.43927 16.54719       27.97827 
1 1 1 2  15 33  o 32.72752 12.87542 0.5584193E-01  0.8532800E-01 -0.2150047E-01 0.1178104     0.1411835      0.1237528     30.72490 13.69793 44.00183 15.88950 -13.27693      20.97879 
1 1 1 2  15 34  o 34.87938 14.47327 0.4610086E-01  0.1144961     0.9393819E-01  0.1318407     -0.1006757     0.2309374     40.18119 15.94175 38.58472 17.93928 1.596474       23.99910 
1 1 1 2  15 35  o 44.99813 17.00237 0.1452360      0.1445309     0.1692339      0.1692946     0.8073108E-01  0.2775569     47.92766 18.33116 48.28220 21.30067 -0.3545418     28.10249 
1 1 1 2  15 36  o 25.73359 11.31983 -0.8794772E-02 0.7784810E-01 0.1408388E-01  0.8492852E-01 -0.1290975     0.1947494     28.63719 12.20537 34.12425 16.06086 -5.487062      20.17232 
1 1 1 2  15 37  o 38.40987 16.80117 0.2828126E-01  0.1693779     0.2118696      0.2411985     -0.1503326     0.2379083     52.40636 21.29503 37.01230 17.52048 15.39406       27.57618 
1 1 1 2  15 38  o 36.46027 16.18286 0.5855675E-02  0.1625888     -0.1630838     0.2371501     0.1556941      0.2233414     36.37107 17.29650 48.32806 20.14724 -11.95699      26.55335 
1 1 1 2  15 39  o 52.70481 22.61818 0.2078639      0.2952901     0.000000       0.000000      0.2078639      0.2952901     ?        ?        52.70481 22.61818 0.000000       22.61818 
1 1 1 2  15 40  o 34.23416 16.11368 -0.1094553     0.1960928     0.000000       0.000000      -0.1094553     0.1960928     ?        ?        34.23416 16.11368 0.000000       16.11368 
1 1 1 2  15 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  0   o 760.6709 25.77757 40.15382       2.700504      40.15382       2.700504      0.000000       0.000000      760.6709 25.77757 760.6709 25.77757 0.000000       0.000000 
1 1 1 3  0  1   o 870.2275 19.17346 52.45910       2.301416      56.74536       3.438939      48.98238       3.097207      903.5690 27.62134 839.4852 26.78067 -0.000000      0.000000 
1 1 1 3  0  2   o 1948.501 42.11024 264.8727       11.31796      264.8727       11.31796      0.000000       0.000000      1948.501 42.11024 1948.501 42.11024 0.000000       0.000000 
1 1 1 3  0  3   o 232.4113 22.28799 3.840263       0.7001547     0.000000       0.000000      3.840263       0.7001547     232.4113 22.28799 232.4113 22.28799 -0.000000      0.000000 
1 1 1 3  0  4   f 260.8712 15.52346 4.753958       0.5546475     5.115828       0.7865462     4.396030       0.7822515     269.3682 21.45989 248.8032 23.23517 0.000000       0.000000 
1 1 1 3  0  5   o 111.9729 12.99864 0.9007903      0.1939154     0.9059098      0.2381685     0.8907223      0.3339956     110.9125 16.65979 104.6076 26.74801 -0.000000      0.000000 
1 1 1 3  0  6   o 514.7679 13.40401 18.34896       0.9513018     18.76753       1.651996      18.14130       1.163593      519.1255 23.15097 511.4475 16.51539 0.000000       0.000000 
1 1 1 3  0  7   o 251.9348 12.60516 4.418481       0.4360004     4.640911       0.5361822     3.984339       0.7490849     257.7845 15.18380 236.4803 23.47070 -0.000000      0.000000 
1 1 1 3  0  8   o 446.1254 11.35890 13.77691       0.6987062     13.50139       0.9852130     14.05569       0.9910522     441.0273 16.22792 450.0590 15.99317 0.000000       0.000000 
1 1 1 3  0  9   o 1309.014 18.53051 118.5831       3.347909      120.3954       4.152688      115.2179       5.658700      1318.183 22.83018 1287.302 31.87870 -0.000000      0.000000 
1 1 1 3  0  10  o 476.4315 13.23765 15.72179       0.8693414     16.38451       1.518956      15.39897       1.060141      484.9086 22.80030 471.1018 16.34170 0.000000       0.000000 
1 1 1 3  0  11  o 1143.466 17.24871 90.47211       2.722044      89.79887       3.316604      91.86153       4.764544      1138.574 21.11210 1149.650 30.06003 -0.000000      0.000000 
1 1 1 3  0  12  o 394.1159 12.93657 10.76780       0.7022952     10.66338       0.8585219     10.97903       1.221005      391.7786 15.92970 396.3690 22.47425 -0.000000      0.000000 
1 1 1 3  0  13  o 152.8407 12.65813 1.647060       0.2629290     1.582682       0.3215558     1.776941       0.4567308     148.7445 16.13730 155.5168 22.67686 -0.000000      0.000000 
1 1 1 3  0  14  o 1175.954 17.49550 95.68871       2.839474      93.17215       4.821245      97.02518       3.513466      1157.796 30.20352 1183.468 21.51618 0.000000       0.000000 
1 1 1 3  0  15  o 1160.897 17.38663 93.25317       2.785655      93.76916       3.425193      92.24516       4.787444      1163.452 21.33674 1152.024 30.14233 -0.000000      0.000000 
1 1 1 3  0  16  o 397.0446 12.97412 10.92821       0.7095833     10.52625       0.8634023     11.76468       1.245516      389.2072 16.12846 410.5079 22.11976 -0.000000      0.000000 
1 1 1 3  0  17  o 284.9828 12.68263 5.645066       0.4968253     5.680547       0.8621315     5.627424       0.6079192     283.8878 22.31015 284.0412 15.60753 0.000000       0.000000 
1 1 1 3  0  18  o 177.8709 15.61021 2.237054       0.3766069     2.237054       0.3766069     0.000000       0.000000      177.8709 15.61021 177.8709 15.61021 -0.000000      0.000000 
1 1 1 3  0  19  o 669.9928 17.38246 31.10289       1.605677      30.81140       2.261713      31.39910       2.279937      665.6261 24.68463 671.9774 24.64664 -0.000000      0.000000 
1 1 1 3  0  20  o 862.9858 15.29746 51.52892       1.821601      51.46810       2.228863      51.65124       3.161162      862.0105 18.74549 862.1346 26.61163 0.000000       0.000000 
1 1 1 3  0  21  o 475.0726 13.27956 15.63293       0.8695880     15.32584       1.060049      16.26478       1.520544      469.9684 16.38012 483.0921 22.91200 -0.000000      0.000000 
1 1 1 3  0  22  o 1271.344 22.38847 111.9881       3.927550      113.9530       5.634369      110.1309       5.477732      1280.137 31.91989 1258.545 31.56543 0.000000       0.000000 
1 1 1 3  0  23  o 206.6142 12.64390 2.982740       0.3576326     2.558240       0.6149506     3.199688       0.4396215     187.3935 25.01413 213.5715 15.07995 -0.000000      0.000000 
1 1 1 3  0  24  o 48.38005 16.25236 0.2083688      0.9696288E-01 0.2295606      0.1190642     0.1666386      0.1670796     49.65602 18.60561 40.96885 21.80645 0.000000       0.000000 
1 1 1 3  0  25  o 190.5715 12.66803 2.542569       0.3299732     2.261282       0.5687686     2.685276       0.4051201     175.6589 24.89146 195.3374 15.23272 -0.000000      0.000000 
1 1 1 3  0  26  o 422.5801 13.10066 12.37563       0.7627709     12.05056       0.9298090     13.04460       1.333845      416.5491 16.22138 432.3573 22.48091 0.000000       0.000000 
1 1 1 3  0  27  o 1049.457 16.58820 76.20728       2.402466      77.19819       4.197162      75.72440       2.929933      1053.912 28.89029 1045.547 20.31169 -0.000000      0.000000 
1 1 1 3  0  28  o 1555.135 20.61397 167.4387       4.424820      166.7689       5.398378      168.8100       7.724167      1550.945 25.22248 1557.073 35.96899 0.000000       0.000000 
1 1 1 3  0  29  o 501.2621 13.40381 17.40138       0.9262509     17.55143       1.608144      17.32689       1.133074      501.8582 23.32102 499.7919 16.45885 -0.000000      0.000000 
1 1 1 3  0  30  o 549.2993 13.63941 20.89129       1.033088      20.19660       1.253466      22.36266       1.824210      539.6571 16.85844 566.8461 23.39682 0.000000       0.000000 
1 1 1 3  0  31  o 1173.044 17.51304 95.22846       2.835278      95.10270       3.468736      95.48165       4.921522      1171.573 21.45817 1171.797 30.46301 0.000000       0.000000 
1 1 1 3  0  32  o 933.3455 15.80319 60.28141       2.035374      60.07985       2.487421      60.68981       3.540778      931.2502 19.36283 934.3546 27.49799 0.000000       0.000000 
1 1 1 3  0  33  o 700.1060 14.38501 33.92411       1.389307      34.38040       2.420326      33.69989       1.696668      703.0649 25.00276 697.3499 17.64563 -0.000000      0.000000 
1 1 1 3  0  34  o 213.7847 10.99950 3.182709       0.3227417     3.179612       0.4558198     3.185822       0.4570341     212.7243 15.71523 212.9288 15.74227 0.000000       0.000000 
1 1 1 3  0  35  o 204.4228 11.00463 2.912276       0.3085727     2.800878       0.4360408     3.024029       0.4367354     199.3390 16.08234 207.4298 15.44471 -0.000000      0.000000 
1 1 1 3  0  36  o 139.7746 11.13621 1.375404       0.2117949     1.408387       0.2994728     1.342399       0.2995737     140.0368 16.03094 136.4036 16.55459 0.000000       0.000000 
1 1 1 3  0  37  o 115.5814 11.32183 0.9493497      0.1767138     0.9195105      0.2496622     0.9793081      0.2501608     111.4007 17.52679 115.5516 16.69097 0.000000       0.000000 
1 1 1 3  0  38  o 181.8626 12.81972 2.319827       0.3182543     2.269435       0.3900127     2.420254       0.5505775     179.0188 16.07576 182.8185 22.76229 -0.000000      0.000000 
1 1 1 3  0  39  o 682.6604 17.58110 32.30916       1.654768      32.36070       2.336080      32.25725       2.344333      681.7858 24.88955 680.6613 25.01980 0.000000       0.000000 
1 1 1 3  0  40  o 824.7836 15.16706 47.09428       1.726029      47.88734       3.019779      46.70947       2.103503      829.4327 26.42748 820.8445 18.58005 -0.000000      0.000000 
1 1 1 3  0  41  o 120.0428 11.34913 1.022287       0.1842573     1.029937       0.2604589     1.014623       0.2606994     118.5622 16.90391 117.5388 17.12350 0.000000       0.000000 
1 1 1 3  0  42  o 291.4671 12.91687 5.907731       0.5175343     6.459105       0.9037090     5.638657       0.6313084     302.9444 21.86543 284.1001 16.21362 0.000000       0.000000 
1 1 1 3  0  43  o 317.7841 12.96827 7.017184       0.5668986     7.973635       0.9969656     6.560160       0.6891567     337.1037 21.62197 306.5898 16.38572 -0.000000      0.000000 
1 1 1 3  0  44  o 580.7596 13.86607 23.36747       1.110524      23.28343       1.922604      23.40955       1.360420      577.6598 24.20005 580.7769 16.99685 -0.000000      0.000000 
1 1 1 3  0  45  o 226.4707 11.09625 3.570765       0.3450978     3.547468       0.4874061     3.594185       0.4886804     224.7329 15.88920 226.2462 15.82014 0.000000       0.000000 
1 1 1 3  0  46  o 134.0596 11.31822 1.268777       0.2060786     1.373811       0.2922340     1.164877       0.2906507     138.2344 15.84980 126.1469 17.68212 -0.000000      0.000000 
1 1 1 3  0  47  f 45.46808 15.36014 0.1845936      0.8627088E-01 0.1778763      0.1211207     0.1915107      0.1229099     42.02946 19.18872 43.85054 19.33660 -0.000000      0.000000 
1 1 1 3  0  48  o 164.7423 11.19261 1.902484       0.2519114     1.797835       0.3556077     2.007900       0.3569090     158.5349 16.66606 168.1289 15.68756 0.000000       0.000000 
1 1 1 3  0  49  o 78.25919 12.87964 0.4565634      0.1278485     0.4173149      0.1812850     0.4953990      0.1803290     69.34106 21.60061 78.40871 19.23180 0.000000       0.000000 
1 1 1 3  0  50  f 90.34827 12.19706 0.5948086      0.1443583     0.5774359      0.2046689     0.6120075      0.2036420     85.02834 20.07250 88.50423 18.97825 0.000000       0.000000 
1 1 1 3  0  51  o 126.1497 11.45940 1.128082       0.1958243     1.161489       0.2767638     1.094590       0.2771112     126.2409 16.68965 122.0383 17.48538 -0.000000      0.000000 
1 1 1 3  0  52  o 131.7865 11.45091 1.228976       0.2047575     1.245760       0.2892018     1.212106       0.2899414     130.8989 16.75094 128.8783 17.14032 -0.000000      0.000000 
1 1 1 3  0  53  o 186.2954 11.23269 2.428513       0.2865449     2.387363       0.4051420     2.469700       0.4053296     183.3159 16.30202 186.6163 16.00031 0.000000       0.000000 
1 1 1 3  0  54  o 89.20947 12.45123 0.5824656      0.1448263     0.6723303      0.2041499     0.4914197      0.2054874     93.90333 17.53801 75.68946 22.58223 -0.000000      0.000000 
1 1 1 3  0  55  o 486.3869 11.76727 16.41921       0.7892615     16.29823       1.113627      16.54131       1.118759      483.2941 16.73293 486.9124 16.68420 0.000000       0.000000 
1 1 1 3  0  56  o 462.7943 11.70063 14.87325       0.7466336     15.07184       1.058011      14.67623       1.053800      464.5450 16.54150 458.3335 16.70125 0.000000       0.000000 
1 1 1 3  0  57  o 148.7047 11.43604 1.559797       0.2316279     1.526164       0.3279242     1.593285       0.3272195     145.1786 16.96342 148.6535 16.45674 0.000000       0.000000 
1 1 1 3  0  58  o 104.1025 14.34723 0.7945826      0.1950822     1.009143       0.3433865     0.6923311      0.2370521     112.3977 25.36129 93.28292 21.10125 0.000000       0.000000 
1 1 1 3  0  59  o 248.5606 16.16772 4.360211       0.5495204     4.420666       0.7780777     4.300048       0.7762042     247.4666 23.24137 243.8343 23.55887 -0.000000      0.000000 
1 1 1 3  0  60  o 288.0023 13.15134 5.801934       0.5205193     5.620000       0.6354627     6.172915       0.9074220     282.3837 16.42433 293.4818 22.70436 0.000000       0.000000 
1 1 1 3  0  61  o 281.7984 11.35580 5.539239       0.4402392     5.522586       0.6224667     5.555906       0.6227180     279.8814 16.23153 280.7487 16.18644 0.000000       0.000000 
1 1 1 3  0  62  o 127.7659 13.72967 1.174526       0.2351519     1.043494       0.4062206     1.240563       0.2883832     110.5212 30.76893 130.1664 16.81775 0.000000       0.000000 
1 1 1 3  0  63  o 199.2391 16.34665 2.828787       0.4427543     2.593329       0.6237918     3.067838       0.6285334     186.2443 25.63882 204.7085 22.97983 0.000000       0.000000 
1 1 1 3  0  64  o 32.91039 16.58791 0.1112440      0.9316976E-01 0.9888560E-01  0.1162546     0.1334341      0.1557787     32.06688 17.80390 37.10865 20.60712 0.000000       0.000000 
1 1 1 3  0  65  o 141.5370 11.70018 1.419735       0.2250704     1.437998       0.3188659     1.401601       0.3177324     140.4164 17.12617 138.4522 17.35922 0.000000       0.000000 
1 1 1 3  0  66  f 182.1034 11.49564 2.330160       0.2864201     2.345831       0.4050889     2.314494       0.4050294     181.0468 16.52024 179.7554 16.64613 -0.000000      0.000000 
1 1 1 3  0  67  f 159.4259 11.63187 1.792868       0.2529299     1.813834       0.3572410     1.771795       0.3581546     158.5745 16.74207 156.5327 17.08735 -0.000000      0.000000 
1 1 1 3  0  68  o 173.9793 11.57006 2.129192       0.2751319     2.185277       0.3889476     2.073022       0.3892430     174.6558 16.46377 169.7840 16.99344 -0.000000      0.000000 
1 1 1 3  0  69  o 201.8535 11.52856 2.855811       0.3189309     2.799066       0.4511611     2.912493       0.4509117     198.1451 16.76577 202.3409 16.38597 0.000000       0.000000 
1 1 1 3  0  70  o 100.7772 12.67448 0.7379767      0.1688000     0.7902510      0.2379002     0.6849763      0.2395469     101.5822 18.87469 92.31293 21.62394 -0.000000      0.000000 
1 1 1 3  0  71  o 101.8175 12.69279 0.7526685      0.1709617     0.8654976      0.2435859     0.6431310      0.2400064     107.1731 17.98101 88.31357 22.77183 0.000000       0.000000 
1 1 1 3  0  72  o 51.39444 17.17559 0.2361520      0.1086856     0.1876693      0.1530976     0.2854114      0.1543190     42.61854 21.31074 54.54222 21.39251 -0.000000      0.000000 
1 1 1 3  0  73  o 171.8659 11.66212 2.078066       0.2738359     2.069279       0.3872673     2.086853       0.3872576     169.7441 16.90740 170.5166 16.82311 0.000000       0.000000 
1 1 1 3  0  74  o 147.2948 11.84518 1.534871       0.2373325     1.317949       0.3342313     1.755486       0.3370643     133.2966 19.34569 156.3014 16.00183 0.000000       0.000000 
1 1 1 3  0  75  f 72.93428 15.13797 0.4139787      0.1344850     0.4350378      0.1903544     0.3929920      0.1900271     70.26092 22.29594 65.31265 23.15224 0.000000       0.000000 
1 1 1 3  0  76  o 304.6288 11.60862 6.470868       0.4866932     6.151717       0.6850404     6.796143       0.6915825     295.3144 16.92662 310.7968 16.21576 -0.000000      0.000000 
1 1 1 3  0  77  o 39.02082 17.44672 0.1534551      0.1000101     0.1845898      0.1425891     0.1233079      0.1403098     42.26096 20.66123 35.58042 19.62958 0.000000       0.000000 
1 1 1 3  0  78  o 147.2482 14.04436 1.550583       0.2795876     1.401798       0.3405066     1.858467       0.4898222     137.7484 18.91585 156.9028 24.35634 -0.000000      0.000000 
1 1 1 3  0  79  o 44.35556 21.88990 0.2043289      0.1606725     0.4223936      0.2293611     -0.5798272E-02 0.2251480     65.84095 26.14447 32.52249 21.09193 0.000000       0.000000 
1 1 1 3  0  80  o 255.2269 13.57810 4.577816       0.4754300     4.507654       0.8226842     4.612998       0.5825585     248.3231 24.54277 255.0703 16.70459 -0.000000      0.000000 
1 1 1 3  0  81  o 173.5313 11.95186 2.124433       0.2832663     2.277187       0.4035271     1.976034       0.3977339     177.9870 16.76051 164.9427 18.00838 0.000000       0.000000 
1 1 1 3  0  82  o 46.60257 20.16894 0.2179665      0.1338124     0.2279144      0.2361179     0.2132599      0.1624112     47.22333 25.66923 45.22831 22.06115 0.000000       0.000000 
1 1 1 3  0  83  o 25.50097 15.49059 0.4253718E-01  0.1016342     -0.3403457E-01 0.1332207     0.1491591      0.1572029     23.40302 15.53349 38.51334 20.94170 0.000000       0.000000 
1 1 1 3  0  84  o 154.2588 14.26446 1.704847       0.2978664     1.758016       0.3674111     1.602886       0.5087923     155.2049 17.74344 141.1381 29.64778 0.000000       0.000000 
1 1 1 3  0  85  o 79.70865 16.15623 0.4947353      0.1574432     0.5923942      0.2265663     0.4035352      0.2189458     83.90110 22.62791 64.11862 25.55911 0.000000       0.000000 
1 1 1 3  0  86  o 193.6237 12.06708 2.642582       0.3197536     2.516018       0.4498352     2.771843       0.4546024     186.5578 17.83687 196.4017 17.05894 -0.000000      0.000000 
1 1 1 3  0  87  o 155.8035 12.41777 1.724378       0.2632484     1.558060       0.3739200     1.887825       0.3706802     144.6980 19.75815 161.2403 17.08798 0.000000       0.000000 
1 1 1 3  0  88  o 310.0567 11.94502 6.730579       0.5096829     6.671749       0.7225707     6.788836       0.7190432     306.4191 17.20155 309.2437 16.95550 0.000000       0.000000 
1 1 1 3  0  89  o 126.0638 13.11777 1.144879       0.2226824     1.050348       0.3170431     1.236919       0.3128400     116.0590 22.11540 128.5806 18.79403 0.000000       0.000000 
1 1 1 3  0  90  o 191.7606 12.21178 2.595741       0.3203460     2.607162       0.4552867     2.584542       0.4508217     189.9028 17.71706 189.1057 17.61618 0.000000       0.000000 
1 1 1 3  0  91  o 86.44125 16.15760 0.5745803      0.1731095     0.4971212      0.2483074     0.6478283      0.2414636     72.01702 26.82966 88.00276 22.99679 0.000000       0.000000 
1 1 1 3  0  92  o 225.3887 12.18821 3.575285       0.3767891     3.609135       0.5352925     3.542045       0.5304608     224.2042 17.53737 222.0676 17.55156 0.000000       0.000000 
1 1 1 3  0  93  o 207.1429 12.32760 3.026450       0.3497441     2.863890       0.4916795     3.192948       0.4975994     198.8841 18.25748 210.6897 17.37593 -0.000000      0.000000 
1 1 1 3  0  94  o 145.4247 13.07127 1.513385       0.2576018     1.495229       0.3658439     1.531239       0.3627834     141.3263 19.87679 143.4052 19.30446 0.000000       0.000000 
1 1 1 3  0  95  o 90.02878 16.89015 0.6253605      0.1883431     0.5286709      0.2634962     0.7263668      0.2693139     74.01139 27.66039 92.93456 24.28812 -0.000000      0.000000 
1 1 1 3  0  96  o 242.1792 12.35051 4.131581       0.4105578     4.104208       0.5816157     4.158766       0.5796222     238.7846 17.86981 240.4975 17.67344 0.000000       0.000000 
1 1 1 3  0  97  o 194.9152 12.75172 2.693783       0.3398344     2.745299       0.4784386     2.641325       0.4827877     194.1861 18.21118 190.0440 18.82130 -0.000000      0.000000 
1 1 1 3  0  98  o 42.54750 22.36917 0.1912822      0.1741558     -0.1600441     0.3080740     0.3562855      0.2111281     32.34126 22.08550 58.82542 25.32319 0.000000       0.000000 
1 1 1 3  0  99  o 108.1289 19.15778 0.9060153      0.2592538     0.9378336      0.4467396     0.8898582      0.3183429     96.04462 36.05752 102.3439 26.05523 -0.000000      0.000000 
1 1 1 3  0  100 o 155.1520 13.70548 1.737747       0.2883526     1.948110       0.4113842     1.534574       0.4042927     161.3536 19.17870 140.3369 22.62778 0.000000       0.000000 
1 1 1 3  0  101 o 227.9007 14.80482 3.738218       0.4613841     3.222523       0.5604939     4.822151       0.8125975     207.8543 19.95090 251.6710 23.87699 -0.000000      0.000000 
1 1 1 3  0  102 o 87.40295 27.38606 0.7097328      0.2900640     0.8097229      0.4137744     0.6131133      0.4067409     85.83384 35.29597 71.49122 34.90533 0.000000       0.000000 
1 1 1 3  0  103 o 91.27567 22.16314 0.7046790      0.2420749     0.8006426      0.4022996     0.6502114      0.3030858     85.04817 34.77464 79.98506 29.58830 -0.000000      0.000000 
1 1 1 3  0  104 o 57.24611 22.68258 0.3329349      0.1727894     0.4397752      0.2539098     0.2407802      0.2358146     63.04489 27.79227 46.11228 25.44505 0.000000       0.000000 
1 1 1 3  0  105 o 36.95344 20.46934 0.1464160      0.1532681     -0.1209663     0.2095581     0.4539590      0.2247455     25.94353 17.84564 66.39484 25.76016 -0.000000      0.000000 
1 1 1 3  0  106 o 13.79503 9.961861 -0.1769180     0.9755807E-01 -0.2358986     0.1389915     -0.1196434     0.1369667     16.71940 12.04711 19.73505 13.77412 0.000000       0.000000 
1 1 1 3  0  107 o 47.95795 21.83638 0.2508876      0.1568064     0.2999598      0.2181737     0.1984531      0.2255245     50.69911 25.42218 42.38253 24.29367 -0.000000      0.000000 
1 1 1 3  0  108 o 34.71999 19.46403 0.1279365      0.1405155     0.5322225E-01  0.2039738     0.1954186      0.1938505     32.51913 20.69351 41.62094 23.03275 0.000000       0.000000 
1 1 1 3  0  109 o 61.32311 22.24233 0.3706408      0.1730198     0.3194717      0.2407946     0.4252574      0.2487743     51.70270 26.53004 61.00185 27.51797 -0.000000      0.000000 
1 1 1 3  0  110 o 79.94103 20.56001 0.5527142      0.1961625     0.1733236      0.2732197     0.9563397      0.2818111     41.87856 25.41985 107.6688 21.33040 -0.000000      0.000000 
1 1 1 3  0  111 o 40.21240 21.09000 0.1818401      0.1545246     0.4628086E-01  0.2188904     0.3165122      0.2181730     33.00943 21.17448 52.14353 25.54616 -0.000000      0.000000 
1 1 1 3  0  112 f 76.08443 21.41969 0.5164641      0.1948210     0.3749229      0.2759786     0.6570652      0.2750607     55.34039 28.40098 81.58459 27.35543 -0.000000      0.000000 
1 1 1 3  0  113 o 28.31037 17.71296 0.4830439E-01  0.1425548     -0.5561476E-01 0.1986798     0.1585726      0.2046591     27.18592 18.32639 38.82283 22.74705 0.000000       0.000000 
1 1 1 3  0  114 o 34.14885 19.41994 0.1238125      0.1425803     0.3449016      0.2027044     -0.9268866E-01 0.2005902     55.21440 24.84105 25.88839 17.71649 -0.000000      0.000000 
1 1 1 3  0  115 o 25.89567 16.33329 0.3569543E-01  0.1239313     -0.3976106E-01 0.1737703     0.1138057      0.1767996     25.71532 17.27665 34.29813 20.63216 -0.000000      0.000000 
1 1 1 3  0  116 o 50.98891 23.94314 0.3082265      0.1892502     0.4001118      0.2247588     0.8436668E-01  0.3508179     57.94844 26.15525 38.88296 25.60749 -0.000000      0.000000 
1 1 1 3  0  117 o 16.45910 11.79319 -0.1792018     0.1252508     -0.3331966     0.2201982     -0.1055473     0.1522862     20.91885 15.08593 21.12437 14.69356 0.000000       0.000000 
1 1 1 3  0  118 o 41.42576 23.99935 0.2322259      0.2237794     0.1559491      0.3394520     0.2908553      0.2976047     39.03659 25.52521 44.54116 26.78122 0.000000       0.000000 
1 1 1 3  0  119 o 29.72186 20.09068 0.4706444E-02  0.2418532     0.000000       0.000000      0.4706444E-02  0.2418532     29.72186 20.09068 29.72186 20.09068 0.000000       0.000000 
1 1 1 3  0  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  0   o 893.1162 19.31816 55.25373       2.379867      57.13593       3.422955      53.49253       3.311112      906.7288 27.39581 877.2621 27.39470 0.000000       0.000000 
1 1 1 3  1  1   o 882.9787 19.45858 54.03744       2.372463      64.17038       3.667271      46.74435       3.111221      960.3145 27.65614 819.6551 27.48918 140.6594       38.99380 
1 1 1 3  1  2   o 1403.405 19.58958 136.5158       3.796173      132.8637       4.546090      144.9285       6.899785      1383.212 23.80188 1439.967 34.70124 -56.75464      42.07975 
1 1 1 3  1  3   o 1406.474 19.60917 137.1149       3.808282      131.7741       4.502804      150.5339       7.137407      1377.571 23.67178 1467.273 35.22828 -89.70178      42.44273 
1 1 1 3  1  4   o 1057.776 14.61808 77.41909       2.135118      84.66352       3.201532      71.61607       2.865382      1104.876 20.98488 1016.302 20.41841 88.57404       29.27929 
1 1 1 3  1  5   o 1090.277 14.85413 82.25574       2.236259      86.35254       3.274813      78.67623       3.061089      1115.776 21.25550 1065.130 20.81303 50.64612       29.74859 
1 1 1 3  1  6   o 1264.541 15.98029 110.6913       2.790331      109.5524       3.915646      111.8663       3.977326      1256.383 22.57062 1269.547 22.68843 -13.16431      32.00308 
1 1 1 3  1  7   o 802.1982 13.24337 44.50967       1.466960      43.75790       2.073179      45.26351       2.076012      794.6539 18.89387 808.2549 18.60131 -13.60101      26.51390 
1 1 1 3  1  8   o 783.2941 11.71529 42.42001       1.267115      42.06275       1.998105      42.66032       1.638786      779.1575 18.57185 785.1415 15.11598 -5.984070      23.94591 
1 1 1 3  1  9   o 234.3703 9.950657 3.796259       0.3220271     4.428798       0.5153686     3.391108       0.4124605     252.5527 14.84368 220.9992 13.58196 31.55351       20.11975 
1 1 1 3  1  10  o 581.6174 9.912286 23.37881       0.7960662     21.74470       1.106074      25.13497       1.146637      560.6172 14.28828 602.7830 13.77612 -42.16577      19.84783 
1 1 1 3  1  11  o 428.6819 8.799236 12.69769       0.5208566     13.11989       0.7986172     12.38517       0.6871017     435.5286 13.27957 423.2411 11.75697 12.28754       17.73621 
1 1 1 3  1  12  o 1129.589 11.45186 88.21366       1.786218      93.99999       2.842079      84.43584       2.296448      1164.962 17.66796 1104.593 15.05623 60.36926       23.21308 
1 1 1 3  1  13  o 486.7078 8.924026 16.36823       0.5997458     15.92968       0.9131953     16.70086       0.7953092     479.8705 13.78166 491.4821 11.71899 -11.61157      18.09058 
1 1 1 3  1  14  o 453.1338 8.864547 14.18775       0.5546525     14.72066       0.7384503     13.49795       0.8401475     461.4327 11.58977 441.7275 13.77410 19.70517       18.00135 
1 1 1 3  1  15  o 257.1445 8.453853 4.568604       0.3001719     4.811460       0.3981750     4.248880       0.4568655     263.8252 10.92999 247.4825 13.41938 16.34270       17.30735 
1 1 1 3  1  16  o 230.5935 8.987923 3.674222       0.2861834     3.530346       0.3499595     3.964668       0.4972282     225.9810 11.21522 238.8730 15.15323 -12.89206      18.85210 
1 1 1 3  1  17  o 391.7705 11.31026 10.61077       0.6118465     11.07029       0.8690716     10.15918       0.8615408     399.9159 15.73798 383.0708 16.28767 16.84509       22.64889 
1 1 1 3  1  18  o 154.0544 10.95187 1.648838       0.2314525     1.676003       0.2667979     1.566205       0.4653223     155.1726 12.55944 148.4053 23.48937 6.767303       26.63625 
1 1 1 3  1  19  o 220.5476 9.799948 3.361603       0.2984448     3.437408       0.3338647     3.060125       0.6658038     222.9955 10.84267 208.6310 23.52209 14.36450       25.90082 
1 1 1 3  1  20  o 368.3727 11.26249 9.381171       0.5728747     9.672577       0.8154954     9.097257       0.8049420     373.8113 15.79906 362.5068 16.08090 11.30444       22.54342 
1 1 1 3  1  21  o 1054.713 14.47219 76.97099       2.107691      78.21008       3.014760      75.78633       2.947817      1061.988 20.55867 1045.434 20.42048 16.55420       28.97680 
1 1 1 3  1  22  o 321.6639 9.072835 7.149697       0.4029799     7.116157       0.4937825     7.216588       0.6973187     320.8381 11.14581 322.8907 15.64004 -2.052521      19.20521 
1 1 1 3  1  23  o 643.0504 9.992488 28.57945       0.8872716     28.67378       1.088865      28.39302       1.530679      643.9412 12.24587 640.2775 17.31323 3.663696       21.20635 
1 1 1 3  1  24  o 507.7834 9.535542 17.81894       0.6685930     17.82232       0.8194243     17.81220       1.156434      507.7092 11.68842 507.2013 16.51211 0.5079346      20.23040 
1 1 1 3  1  25  o 550.9484 8.961491 20.97488       0.6817563     21.50023       0.9080920     20.29631       1.032059      557.6318 11.79354 541.6473 13.79908 15.98450       18.15219 
1 1 1 3  1  26  o 392.2512 8.532940 10.63097       0.4621692     10.86454       0.6137887     10.32516       0.7023356     396.4253 11.21294 386.3619 13.16474 10.06335       17.29279 
1 1 1 3  1  27  o 603.3539 9.121657 25.15578       0.7599480     25.46649       1.009882      24.75013       1.153920      606.8679 12.05143 598.1122 13.97189 8.755737       18.45131 
1 1 1 3  1  28  o 827.5157 9.927176 47.32810       1.134331      47.22276       1.499571      47.46901       1.734276      826.2661 13.14344 828.1641 15.16575 -1.897949      20.06863 
1 1 1 3  1  29  o 168.4129 8.225593 1.959645       0.1912848     1.993874       0.2923652     1.934027       0.2529339     169.3284 12.59437 166.8955 11.03783 2.432861       16.74670 
1 1 1 3  1  30  o 691.5108 9.406517 33.04705       0.8981850     33.34589       1.376877      32.82567       1.185049      694.1766 14.36439 688.9359 12.45717 5.240784       19.01360 
1 1 1 3  1  31  o 246.5217 8.296277 4.199119       0.2824076     4.178506       0.4312233     4.214599       0.3736950     245.4539 12.76721 246.9037 10.96104 -1.449753      16.82694 
1 1 1 3  1  32  o 211.6463 8.265843 3.095100       0.2415660     3.242109       0.3697380     2.985612       0.3190838     216.1490 12.44056 207.5007 11.17769 8.648376       16.72448 
1 1 1 3  1  33  o 483.8253 8.765971 16.17649       0.5856344     16.40185       0.8973330     16.00928       0.7729422     486.8891 13.34706 481.1500 11.63398 5.739044       17.70575 
1 1 1 3  1  34  o 832.7181 9.960318 47.93279       1.145273      47.50984       1.741958      48.25480       1.519965      828.3622 15.22928 835.1288 13.18081 -6.766663      20.14112 
1 1 1 3  1  35  o 490.7004 8.789562 16.64043       0.5955546     16.60035       0.9089971     16.67057       0.7883183     489.7896 13.44049 490.9650 11.62822 -1.175415      17.77251 
1 1 1 3  1  36  o 443.2944 8.669534 13.58055       0.5306718     13.56453       0.8101681     13.59260       0.7023031     442.7435 13.25211 443.3281 11.47259 -0.5845947     17.52822 
1 1 1 3  1  37  o 209.8384 8.990445 3.043345       0.2604979     2.904962       0.3674681     3.183140       0.3693383     204.4726 13.08367 214.1283 12.54619 -9.655716      18.12704 
1 1 1 3  1  38  o 358.1368 11.22933 8.870973       0.5553167     8.769961       1.104773      8.905124       0.6423644     354.4209 22.69357 358.7201 12.96844 -4.299164      26.13768 
1 1 1 3  1  39  o 268.7635 9.028071 4.993063       0.3350451     4.817895       0.4724720     5.170253       0.4751903     263.8397 12.96875 273.3367 12.59017 -9.497040      18.07487 
1 1 1 3  1  40  o 197.3330 8.306399 2.691327       0.2263343     2.762516       0.2996852     2.596811       0.3453123     199.5525 10.91741 193.2542 13.01613 6.298325       16.98851 
1 1 1 3  1  41  o 182.7971 8.955667 2.309981       0.2260504     2.354063       0.3207445     2.266478       0.3186331     183.9778 12.70353 180.4893 12.86933 3.488495       18.08313 
1 1 1 3  1  42  o 399.1797 10.17624 11.02079       0.5609108     11.24568       0.8911471     10.87324       0.7218364     402.7055 16.02595 396.2603 13.19229 6.445221       20.75735 
1 1 1 3  1  43  o 411.7498 9.322553 11.72354       0.5300370     11.98696       0.7529226     11.46474       0.7462926     416.0305 13.10651 406.8499 13.28425 9.180511       18.66151 
1 1 1 3  1  44  o 536.0885 8.371331 19.86865       0.6196822     20.06826       0.8787398     19.67118       0.8740053     538.4133 11.81970 533.0535 11.87423 5.359802       16.75418 
1 1 1 3  1  45  o 282.7647 7.861281 5.527297       0.3069421     5.507645       0.4339610     5.546970       0.4342025     282.0801 11.14141 283.0875 11.10794 -1.007385      15.73269 
1 1 1 3  1  46  o 482.5735 8.247159 16.10230       0.5495482     16.00970       0.7763256     16.19531       0.7780343     480.8190 11.69296 483.6035 11.65122 -2.784485      16.50685 
1 1 1 3  1  47  o 194.8990 7.802437 2.626422       0.2099800     2.645382       0.2971135     2.607502       0.2967997     195.1449 11.07184 193.7303 11.14196 1.414581       15.70761 
1 1 1 3  1  48  o 128.2063 7.923115 1.141035       0.1395756     1.097599       0.1973042     1.184546       0.1974754     125.3412 11.52924 130.3067 11.08024 -4.965576      15.99047 
1 1 1 3  1  49  o 330.4111 7.958025 7.551536       0.3630763     7.511576       0.5130806     7.591616       0.5138551     329.2226 11.28647 330.9767 11.24360 -1.754089      15.93119 
1 1 1 3  1  50  o 187.0898 7.831166 2.421542       0.2023086     2.369615       0.2858410     2.473664       0.2863750     184.5318 11.27205 188.5836 11.04567 -4.051804      15.78183 
1 1 1 3  1  51  o 112.0093 8.032720 0.8726957      0.1234131     0.8656795      0.1743947     0.8797342      0.1746705     111.1140 11.53457 112.0346 11.45190 -0.9206390     16.25400 
1 1 1 3  1  52  o 191.2996 7.858004 2.532996       0.2075698     2.438957       0.2929721     2.627778       0.2941274     187.1135 11.39349 194.3030 11.00795 -7.189453      15.84256 
1 1 1 3  1  53  o 238.2560 7.883589 3.930065       0.2593617     3.868245       0.3663159     3.992208       0.3672717     236.0376 11.23923 239.8074 11.09141 -3.769806      15.79050 
1 1 1 3  1  54  o 89.17001 8.318564 0.5555567      0.1012422     0.5198313      0.1431183     0.5913419      0.1432381     85.57146 12.47958 91.53452 11.59258 -5.963058      17.03314 
1 1 1 3  1  55  o 202.4318 7.889620 2.838679       0.2205327     2.847685       0.3118232     2.829665       0.3119373     202.1037 11.21776 201.4544 11.25885 0.6492767      15.89339 
1 1 1 3  1  56  o 115.6237 8.101436 0.9311258      0.1285271     0.9519684      0.1817323     0.9102681      0.1817972     116.4186 11.45328 113.7639 11.74182 2.654732       16.40268 
1 1 1 3  1  57  o 84.00201 8.498857 0.4944568      0.9722345E-01 0.4846796      0.1374390     0.5042498      0.1375505     82.46595 12.45808 84.20065 12.18493 -1.734703      17.42631 
1 1 1 3  1  58  o 267.9167 9.207343 4.985996       0.3406215     4.903306       0.4805923     5.069461       0.4828387     264.8534 13.14115 269.3432 12.98249 -4.489807      18.47254 
1 1 1 3  1  59  o 144.5882 10.22150 1.462078       0.2027579     1.472943       0.3212421     1.454883       0.2614053     143.6818 16.49044 143.5900 13.33648 0.9175110E-01  21.20840 
1 1 1 3  1  60  o 202.1587 9.201423 2.841409       0.2568534     2.758281       0.3634829     2.924320       0.3630087     197.9823 13.37439 203.9962 12.95433 -6.013931      18.61959 
1 1 1 3  1  61  o 277.8268 9.249006 5.368884       0.3548193     5.377225       0.5016719     5.360536       0.5019088     277.0078 13.11565 276.5692 13.14266 0.4386597      18.56743 
1 1 1 3  1  62  o 116.6208 10.49547 0.9558195      0.1672009     1.059795       0.2644159     0.8865441      0.2158294     121.4724 16.16559 111.4098 14.36429 10.06262       21.62543 
1 1 1 3  1  63  o 198.3319 9.259467 2.737692       0.2535809     2.832387       0.3584245     2.642793       0.3588110     200.5511 13.01330 193.5456 13.51068 7.005463       18.75858 
1 1 1 3  1  64  o 168.5379 8.052281 1.973026       0.1873935     1.982876       0.2648561     1.963152       0.2651731     168.0585 11.48203 167.1988 11.55664 0.8596802      16.29089 
1 1 1 3  1  65  o 186.0833 8.046391 2.404852       0.2067505     2.530055       0.2929823     2.280656       0.2918000     190.0196 11.21591 180.2372 11.78970 9.782410       16.27248 
1 1 1 3  1  66  o 168.6223 8.073610 1.974491       0.1879839     2.031824       0.2661545     1.917421       0.2655453     170.1991 11.39076 165.2418 11.71398 4.957260       16.33912 
1 1 1 3  1  67  o 90.39241 8.680786 0.5729544      0.1070175     0.6018218      0.1515484     0.5442411      0.1511435     91.98937 12.23440 87.24661 12.93797 4.742760       17.80651 
1 1 1 3  1  68  o 122.3057 8.338750 1.043586       0.1399869     1.041396       0.1982893     1.045762       0.1976549     121.5131 11.97343 121.7835 11.90617 -0.2704086     16.88549 
1 1 1 3  1  69  o 58.96841 10.06004 0.2486859      0.7897470E-01 0.1912127      0.1123450     0.3048322      0.1110406     51.59533 14.92194 64.91081 12.84350 -13.31548      19.68806 
1 1 1 3  1  70  o 113.9072 8.464702 0.9058128      0.1321862     0.8591837      0.1873988     0.9519876      0.1864837     110.1799 12.54107 116.2049 11.78495 -6.025017      17.20940 
1 1 1 3  1  71  o 188.4666 8.129060 2.465157       0.2115498     2.588808       0.3003982     2.343497       0.2979697     192.3334 11.36152 182.8484 11.86578 9.485016       16.42805 
1 1 1 3  1  72  o 94.99624 8.814110 0.6321448      0.1143002     0.6578771      0.1630402     0.6072748      0.1602848     96.23318 12.56996 92.31870 12.92834 3.914482       18.03180 
1 1 1 3  1  73  o 170.9981 8.177874 2.029474       0.1930944     2.078703       0.2738577     1.980803       0.2723023     172.2280 11.58285 168.0562 11.80934 4.171829       16.54155 
1 1 1 3  1  74  f 185.7702 8.178815 2.395426       0.2097995     2.397006       0.2970957     2.393855       0.2963084     184.9609 11.69283 184.8446 11.66902 0.1163330      16.51933 
1 1 1 3  1  75  o 141.9989 8.355892 1.404866       0.1631163     1.441859       0.2314929     1.368387       0.2298782     143.2255 11.81054 139.4520 12.05669 3.773575       16.87758 
1 1 1 3  1  76  o 124.6820 8.488814 1.084781       0.1452768     1.071878       0.2059350     1.097564       0.2049732     123.2274 12.26577 124.7571 12.04847 -1.529671      17.19345 
1 1 1 3  1  77  o 93.21967 8.985583 0.6098082      0.1142299     0.6265605      0.1622723     0.5933527      0.1608283     93.72822 12.87855 91.09857 13.16745 2.629646       18.41843 
1 1 1 3  1  78  o 148.2374 9.741076 1.537156       0.1982796     1.576581       0.2807094     1.497899       0.2801111     149.1788 13.78319 145.2793 14.14262 3.899582       19.74817 
1 1 1 3  1  79  o 210.8229 10.45976 3.102063       0.3044931     2.864656       0.4819646     3.259768       0.3928172     199.9168 17.64023 215.0152 13.29596 -15.09836      22.08982 
1 1 1 3  1  80  o 90.01640 10.75506 0.5739774      0.1310349     0.5868946      0.1878720     0.5617413      0.1828526     89.82521 15.71960 87.85579 15.64633 1.969421       22.17912 
1 1 1 3  1  81  o 118.5065 10.11884 0.9876159      0.1639941     0.9273802      0.2334793     1.046272       0.2303970     113.4815 15.28909 121.0131 14.04961 -7.531624      20.76410 
1 1 1 3  1  82  o 61.53236 13.54908 0.2771019      0.1120055     0.4845769      0.1768884     0.1382423      0.1447120     81.15417 16.35035 47.60484 17.18369 33.54934       23.71947 
1 1 1 3  1  83  o 292.2156 9.608421 5.962260       0.3876979     6.083918       0.5470201     5.839469       0.5495640     293.5862 13.49366 287.4618 13.84523 6.124420       19.33311 
1 1 1 3  1  84  o 163.6893 8.536351 1.871902       0.1922752     1.903641       0.2723049     1.840342       0.2715332     164.1132 12.10177 161.2904 12.28441 2.822769       17.24412 
1 1 1 3  1  85  o 161.0764 8.575243 1.813298       0.1900420     1.807408       0.2687519     1.819189       0.2687679     159.8080 12.27283 160.3430 12.23145 -0.5350342     17.32717 
1 1 1 3  1  86  o 148.7648 8.673406 1.548122       0.1773945     1.503016       0.2508136     1.593272       0.2509339     145.5242 12.60635 149.9790 12.22320 -4.454758      17.55924 
1 1 1 3  1  87  o 92.01629 9.732640 0.5983104      0.1217843     0.8458205      0.1732737     0.3566807      0.1712030     109.1046 11.68305 69.13653 17.82074 39.96806       21.30897 
1 1 1 3  1  88  o 175.4917 8.570518 2.147609       0.2076833     2.144428       0.2938058     2.150787       0.2936114     174.0409 12.30493 174.3100 12.27711 -0.2690430     17.38214 
1 1 1 3  1  89  o 257.9102 8.452623 4.638166       0.3010219     4.714148       0.4268367     4.562981       0.4245906     258.7453 11.94680 254.5065 12.08185 4.238754       16.99109 
1 1 1 3  1  90  o 196.3196 8.567846 2.688617       0.2322594     2.694311       0.3287111     2.682940       0.3282182     195.1183 12.26289 194.7020 12.27105 0.4163208      17.34812 
1 1 1 3  1  91  o 185.7479 8.637202 2.407613       0.2215312     2.475947       0.3137698     2.339691       0.3128173     187.0036 12.21848 181.6404 12.54907 5.363174       17.51486 
1 1 1 3  1  92  o 117.5709 9.445289 0.9727179      0.1520449     0.8200198      0.2145647     1.126730       0.2154862     106.3035 15.03707 125.7236 12.58155 -19.42017      19.60635 
1 1 1 3  1  93  f 116.2810 9.621261 0.9525281      0.1530946     0.9731715      0.2169547     0.9320538      0.2160649     116.3584 13.77017 113.7509 14.05493 2.607483       19.67634 
1 1 1 3  1  94  o 249.9432 8.602065 4.361952       0.2968807     4.233151       0.4189267     4.491898       0.4207849     244.4368 12.45303 252.2698 12.07972 -7.832977      17.34928 
1 1 1 3  1  95  o 145.9527 9.235321 1.496492       0.1851642     1.483462       0.2619528     1.509504       0.2617708     143.9896 13.32621 145.3083 13.19018 -1.318695      18.75017 
1 1 1 3  1  96  o 131.1876 9.585808 1.212789       0.1724417     1.268087       0.2442256     1.157812       0.2435149     132.8726 13.49865 126.6604 14.16605 6.212189       19.56759 
1 1 1 3  1  97  o 121.7991 11.56626 1.057904       0.1921910     1.051038       0.2685464     1.065114       0.2751730     119.3855 16.75138 120.0489 17.08186 -0.6633453     23.92486 
1 1 1 3  1  98  o 127.7738 14.30647 1.186132       0.2480816     1.331210       0.3572339     1.050993       0.3447783     132.4097 20.17642 116.2394 22.29177 16.17030       30.06677 
1 1 1 3  1  99  o 94.47559 13.07204 0.6506117      0.1659611     0.5879151      0.2414626     0.7067497      0.2284839     86.70432 20.49252 96.53131 17.79724 -9.826988      27.14194 
1 1 1 3  1  100 o 96.94686 11.23225 0.6776448      0.1475766     0.6350018      0.2089873     0.7200582      0.2084236     91.32613 17.20358 97.98917 15.95275 -6.663040      23.46175 
1 1 1 3  1  101 o 135.1004 11.69406 1.318156       0.2160010     1.403324       0.3090618     1.236833       0.3020036     136.4010 16.76203 127.3953 17.64152 9.005737       24.33493 
1 1 1 3  1  102 o 145.3615 14.07710 1.563916       0.2790135     1.616393       0.3883706     1.507941       0.4011067     142.9692 20.23814 136.4935 22.03221 6.475662       29.91656 
1 1 1 3  1  103 o 153.8811 11.34248 1.718688       0.2393090     1.680069       0.3320294     1.760438       0.3452240     148.2306 16.50197 151.5173 16.78251 -3.286713      23.53652 
1 1 1 3  1  104 o 55.95348 15.02254 0.2436002      0.1185093     0.3755242      0.1675465     0.1115154      0.1676485     68.41267 17.62686 45.18694 17.96126 23.22572       25.16571 
1 1 1 3  1  105 o 54.81406 15.17121 0.2350634      0.1187289     0.1542574      0.1665929     0.3184724      0.1692548     48.11110 18.23584 62.60325 18.37621 -14.49215      25.88882 
1 1 1 3  1  106 o 54.70171 14.56513 0.2339028      0.1119718     0.1582045      0.1574003     0.3114603      0.1593213     47.79727 17.80751 61.92870 17.72928 -14.13144      25.12836 
1 1 1 3  1  107 o 67.13180 14.26101 0.3503239      0.1281158     0.2022042      0.1797609     0.5032259      0.1826397     52.10441 19.09899 79.00482 17.22740 -26.90041      25.72071 
1 1 1 3  1  108 o 27.20678 12.14184 -0.2530379E-01 0.9281804E-01 -0.6326973E-01 0.1329468     0.1079945E-01  0.1296445     30.65311 14.01904 34.45312 14.88741 -3.800003      20.44917 
1 1 1 3  1  109 f 70.30761 13.67842 0.3811880      0.1280136     0.3717017      0.1809075     0.3907020      0.1811700     66.74278 18.81793 68.50264 18.65119 -1.759857      26.49493 
1 1 1 3  1  110 o 38.87205 14.51728 0.9638572E-01  0.1047332     0.1290111      0.1497367     0.6513625E-01  0.1465452     44.81027 17.21583 39.78649 16.43060 5.023777       23.79809 
1 1 1 3  1  111 o 56.47231 14.50220 0.2505539      0.1136738     0.2814947      0.1607281     0.2195893      0.1607900     58.73044 18.06177 52.96707 18.19660 5.763367       25.63871 
1 1 1 3  1  112 o 27.14149 12.02901 -0.1844454E-01 0.8951328E-01 0.8349673E-01  0.1278077     -0.1165939     0.1254082     39.50628 15.68906 27.17105 12.81864 12.33523       20.25991 
1 1 1 3  1  113 o 42.76712 14.40866 0.1360500      0.1007731     0.3623149E-01  0.1430325     0.2344363      0.1420026     37.33114 15.87341 53.92731 17.03963 -16.59617      23.28764 
1 1 1 3  1  114 o 37.69810 13.95680 0.9402200E-01  0.9638776E-01 -0.2150992E-01 0.1368283     0.2078294      0.1358033     33.02384 14.73964 50.91396 16.71475 -17.89011      22.28542 
1 1 1 3  1  115 o 35.59369 13.61456 0.7843824E-01  0.9338727E-01 -0.4364088E-01 0.1321417     0.2002509      0.1319975     31.04192 14.11118 49.64684 16.48760 -18.60491      21.70176 
1 1 1 3  1  116 o 38.35319 14.94465 0.9516207E-01  0.1140555     0.5016184E-02  0.1615000     0.1848603      0.1610985     36.17545 16.08906 47.95299 17.98590 -11.77754      24.13194 
1 1 1 3  1  117 o 37.46556 15.78933 0.6739907E-01  0.1394764     0.1590655E-01  0.2152594     0.1046612      0.1831152     39.99299 18.11338 42.43733 17.99914 -2.444340      25.53553 
1 1 1 3  1  118 o 33.62653 14.99871 0.1301231E-01  0.1414291     0.1235505      0.2141200     -0.7253587E-01 0.1883677     43.55094 18.97431 33.79323 15.87026 9.757710       24.73640 
1 1 1 3  1  119 o 36.03301 16.52970 0.1630322E-01  0.1867744     -0.1199252E-01 0.2869563     0.3710188E-01  0.2460214     39.81737 18.96106 39.66901 18.46753 0.1483612      26.46831 
1 1 1 3  1  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  136 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  0   f 484.2201 23.80466 16.35188       1.582860      0.000000       0.000000      16.35188       1.582860      484.2201 23.80466 484.2201 23.80466 -0.000000      0.000000 
1 1 1 3  2  1   o 692.9923 25.12114 33.37204       2.403841      33.37204       2.403841      0.000000       0.000000      692.9923 25.12114 ?        ?        0.000000       25.12114 
1 1 1 3  2  2   o 563.8950 17.10010 22.01976       1.331480      22.01976       1.331480      0.000000       0.000000      563.8950 17.10010 ?        ?        0.000000       17.10010 
1 1 1 3  2  3   o 378.4289 13.14525 9.904906       0.6868964     9.733177       0.8372962     10.25837       1.201232      374.9627 16.17160 383.7752 22.76976 -8.812469      27.92817 
1 1 1 3  2  4   f 469.4438 11.72146 15.23669       0.7598072     15.54994       1.077536      14.92691       1.071548      473.9183 16.46609 464.3076 16.71352 9.610718       23.46218 
1 1 1 3  2  5   o 898.3943 13.64419 55.83109       1.692594      56.46815       2.409675      55.21065       2.378017      902.6332 19.33344 892.5329 19.29535 10.10034       27.31470 
1 1 1 3  2  6   o 518.0796 11.88179 18.55812       0.8499951     18.41507       1.197221      18.70350       1.206987      515.7029 16.81268 519.7253 16.81864 -4.022461      23.78093 
1 1 1 3  2  7   o 479.5149 11.79128 15.89775       0.7807299     15.49827       1.098991      16.30478       1.109319      473.1005 16.82297 485.2765 16.55500 -12.17606      23.60255 
1 1 1 3  2  8   o 421.4330 11.56265 12.27906       0.6728585     12.18735       0.9518605     12.37065       0.9512712     419.5612 16.43009 422.7141 16.29745 -3.152863      23.14205 
1 1 1 3  2  9   o 601.1148 12.23163 24.98588       1.015266      24.79241       1.432334      25.18123       1.439298      598.3167 17.33705 602.9957 17.28617 -4.679016      24.48234 
1 1 1 3  2  10  o 87.39457 11.37865 0.5369195      0.1340574     0.5278061      0.1895762     0.5460348      0.1895954     85.86604 16.58957 87.41082 16.30800 -1.544785      23.26294 
1 1 1 3  2  11  o 283.6579 11.22204 5.562424       0.4395466     5.469018       0.6217940     5.655720       0.6214316     280.6128 16.11487 285.4068 15.83059 -4.793976      22.58975 
1 1 1 3  2  12  o 154.0617 15.90291 1.660370       0.3334394     1.787427       0.4739530     1.535852       0.4691919     158.9834 22.19490 146.8456 23.96619 12.13777       32.66484 
1 1 1 3  2  13  o 293.8326 22.75957 6.028252       0.9162222     6.028252       0.9162222     0.000000       0.000000      293.8326 22.75957 ?        ?        0.000000       22.75957 
1 1 1 3  2  14  o 296.3264 22.71644 6.130177       0.9224213     6.130177       0.9224213     0.000000       0.000000      296.3264 22.71644 ?        ?        0.000000       22.71644 
1 1 1 3  2  15  o 440.5641 16.42002 13.43828       0.9988971     13.26191       1.404200      13.61896       1.421262      436.4208 23.38667 442.2767 23.35525 -5.855957      33.05154 
1 1 1 3  2  16  o 896.9375 13.74250 55.65289       1.702025      53.98595       3.323409      56.24553       1.981619      880.8469 27.32406 901.3972 15.92084 -20.55023      31.62400 
1 1 1 3  2  17  o 120.1906 10.07984 1.005429       0.1657421     1.191723       0.2617624     0.8807589      0.2141353     130.3992 14.79979 111.9432 14.17061 18.45598       20.49000 
1 1 1 3  2  18  o 487.7555 9.706409 16.44149       0.6537305     16.48453       0.9242446     16.39840       0.9247849     488.1537 13.71173 486.8737 13.75582 1.279999       19.42251 
1 1 1 3  2  19  o 587.5760 9.986129 23.86113       0.8102131     24.72905       1.157848      23.02838       1.134148      597.8625 14.02531 576.9200 14.23692 20.94250       19.98497 
1 1 1 3  2  20  f 84.20578 9.590292 0.4963634      0.1095202     0.3678233      0.1335614     0.7601904      0.1913468     71.68856 13.99474 103.9410 13.66308 -32.25247      19.55844 
1 1 1 3  2  21  o 223.1391 9.281597 3.440766       0.2859805     3.003904       0.3481916     4.346375       0.5013224     208.0702 12.17214 250.2018 14.57383 -42.13156      18.98835 
1 1 1 3  2  22  o 242.9494 9.189105 4.078765       0.3082670     3.901629       0.3778636     4.431269       0.5330459     237.5546 11.51950 252.5644 15.35752 -15.00989      19.19772 
1 1 1 3  2  23  o 277.4748 8.542693 5.319763       0.3273078     4.856153       0.4313458     5.949024       0.5025324     265.0155 11.78735 293.3008 12.40832 -28.28531      17.11456 
1 1 1 3  2  24  o 460.2231 8.933425 14.63575       0.5677072     14.26623       0.7465652     15.14238       0.8741690     454.2263 11.90303 467.8632 13.53127 -13.63690      18.02158 
1 1 1 3  2  25  o 151.8995 8.436156 1.599151       0.1762487     1.485112       0.2329529     1.751822       0.2695367     146.0962 11.64429 158.6785 12.40015 -12.58237      17.01038 
1 1 1 3  2  26  o 447.5213 8.956445 13.83927       0.5534615     14.25285       0.7366891     13.30336       0.8386022     454.0166 11.75099 438.5057 13.84978 15.51086       18.16321 
1 1 1 3  2  27  o 294.4611 8.497679 5.991161       0.3455145     5.953480       0.4565433     6.041675       0.5286005     293.4448 11.26724 295.5436 12.95293 -2.098816      17.16767 
1 1 1 3  2  28  o 516.6785 8.996183 18.44787       0.6418251     18.28726       0.8461067     18.66553       0.9849985     514.2471 11.91558 519.4018 13.73391 -5.154663      18.18245 
1 1 1 3  2  29  o 201.7432 8.362205 2.812268       0.2329473     2.794713       0.3078065     2.835800       0.3563799     200.7407 11.14852 202.0691 12.83911 -1.328400      17.00389 
1 1 1 3  2  30  o 539.9188 8.459497 20.14340       0.6306828     19.84631       0.8852125     20.44966       0.8987824     535.6954 11.96717 543.7771 11.97004 -8.081665      16.92617 
1 1 1 3  2  31  o 192.4597 7.861354 2.559254       0.2089177     2.613400       0.2946915     2.504543       0.2962228     194.1012 11.04078 189.9768 11.34403 4.124405       15.82990 
1 1 1 3  2  32  o 316.4995 8.122446 6.921661       0.3549751     6.926000       0.5008551     6.917282       0.5031741     316.4702 11.46150 316.2682 11.52192 0.2019653      16.25179 
1 1 1 3  2  33  f 726.8105 9.029700 36.50925       0.9062177     37.22380       1.288482      35.80980       1.274799      733.5125 12.72134 719.4329 12.83256 14.07959       18.06951 
1 1 1 3  2  34  o 364.8727 9.310244 9.202078       0.4690730     9.247983       0.6628490     9.156028       0.6638911     365.5757 13.13104 363.7483 13.21776 1.827484       18.63152 
1 1 1 3  2  35  o 324.5983 10.10234 7.284547       0.4527999     7.061812       0.7138132     7.434519       0.5857281     318.8344 16.26779 327.7771 12.94135 -8.942688      20.78749 
1 1 1 3  2  36  o 397.6454 11.44557 10.93711       0.6284510     10.79749       1.249221      10.98442       0.7271693     393.3210 23.10281 398.3818 13.21898 -5.060791      26.61732 
1 1 1 3  2  37  o 342.9662 10.10559 8.133259       0.4785760     8.091850       0.7540333     8.161192       0.6193008     341.7066 15.98082 343.3816 13.06131 -1.674988      20.63939 
1 1 1 3  2  38  o 323.9508 10.19540 7.257066       0.4560592     8.018025       0.5949587     6.172908       0.7101539     340.3645 12.65915 297.8251 17.34352 42.53937       21.47212 
1 1 1 3  2  39  o 276.1352 10.01738 5.272978       0.3819564     5.516876       0.6065481     5.112704       0.4916917     281.6895 15.65573 271.7496 13.10346 9.939911       20.41574 
1 1 1 3  2  40  o 390.6787 10.23654 10.55661       0.5522187     10.73350       0.8771178     10.44046       0.7107675     393.4155 16.14613 388.2885 13.25669 5.126923       20.89108 
1 1 1 3  2  41  o 41.61582 10.89403 0.1242105      0.6333430E-01 0.1112503      0.8926077E-01 0.1373509      0.8987887E-01 41.08466 13.55418 44.43395 13.47584 -3.349293      19.11319 
1 1 1 3  2  42  o 365.9554 8.588864 9.259306       0.4340122     9.214251       0.6628789     9.293112       0.5741997     364.7166 13.16257 366.4298 11.34839 -1.713165      17.37927 
1 1 1 3  2  43  o 252.6269 8.423107 4.412639       0.2938258     4.403247       0.4489812     4.419677       0.3885946     251.7779 12.95829 252.6910 11.13702 -0.9130707     17.08656 
1 1 1 3  2  44  o 119.0924 8.543613 0.9857992      0.1395622     0.9819576      0.2129794     0.9886901      0.1847573     118.2992 13.26677 118.9589 11.38689 -0.6596985     17.48338 
1 1 1 3  2  45  o 143.9600 7.920615 1.437287       0.1568429     1.414142       0.2215994     1.460521       0.2220200     142.4515 11.36030 144.8026 11.19082 -2.351074      15.94650 
1 1 1 3  2  46  f 210.2352 7.865133 3.056434       0.2283229     3.004766       0.3224500     3.108389       0.3233467     207.9729 11.27047 211.5573 11.10770 -3.584366      15.82417 
1 1 1 3  2  47  o 133.8105 7.977718 1.242848       0.1467332     1.258116       0.2075637     1.227595       0.2074605     134.2744 11.29995 132.6071 11.44205 1.667297       16.08134 
1 1 1 3  2  48  o 153.9339 7.945049 1.643620       0.1683005     1.630768       0.2378188     1.656514       0.2382074     152.9594 11.34060 154.1780 11.26712 -1.218567      15.98616 
1 1 1 3  2  49  o 226.9136 7.893231 3.562764       0.2473166     3.466039       0.3490227     3.660309       0.3504989     223.2638 11.35881 229.7562 11.04794 -6.492416      15.84549 
1 1 1 3  2  50  o 118.3923 8.087290 0.9747252      0.1314190     0.9366776      0.1855442     1.013029       0.1861665     115.5688 11.79224 120.2998 11.34109 -4.730988      16.36084 
1 1 1 3  2  51  o 359.1346 8.068784 8.929714       0.4001321     8.965291       0.5661835     8.894216       0.5655614     359.3478 11.41049 357.9147 11.44359 1.433075       16.16029 
1 1 1 3  2  52  f 135.1525 8.030692 1.269369       0.1491964     1.298299       0.2109732     1.240427       0.2110178     136.2597 11.31537 133.1237 11.59537 3.135971       16.20155 
1 1 1 3  2  53  o 247.4886 7.943001 4.242421       0.2714424     4.331013       0.3844258     4.154332       0.3833316     249.6708 11.15082 244.4967 11.35438 5.174026       15.91423 
1 1 1 3  2  54  o 203.7687 7.925597 2.877000       0.2230013     2.937331       0.3158106     2.817005       0.3149343     205.2318 11.18629 200.9334 11.39782 4.298401       15.97007 
1 1 1 3  2  55  o 332.2943 8.053512 7.654691       0.3695270     7.716583       0.5232335     7.593104       0.5219491     332.9591 11.38064 330.2692 11.44517 2.689911       16.14034 
1 1 1 3  2  56  o 184.8053 8.564743 2.369980       0.2185580     2.496127       0.2900259     2.204199       0.3324810     189.0045 11.16241 177.0159 13.70935 11.98862       17.67896 
1 1 1 3  2  57  o 244.7312 10.12047 4.166316       0.3420015     4.377634       0.5422381     4.026719       0.4407187     249.0345 15.85103 239.5692 13.37612 9.465347       20.74067 
1 1 1 3  2  58  o 226.7709 9.227281 3.574479       0.2889342     3.633762       0.4094186     3.515660       0.4078155     227.5105 13.08768 223.7222 13.26043 3.788284       18.63133 
1 1 1 3  2  59  o 117.5165 9.483353 0.9668245      0.1525753     0.9065217      0.1873545     1.085564       0.2629021     113.2513 12.17174 123.1492 15.82681 -9.897911      19.96595 
1 1 1 3  2  60  o 126.2337 9.504823 1.115112       0.1644593     1.192295       0.2339739     1.039740       0.2312119     129.7639 13.24358 120.8767 14.11856 8.887215       19.35784 
1 1 1 3  2  61  o 211.3799 10.14656 3.114168       0.2961560     3.072447       0.4665910     3.142317       0.3832545     207.7947 16.39480 211.2537 13.20472 -3.459045      21.05123 
1 1 1 3  2  62  o 194.5023 8.605745 2.630112       0.2311272     2.538920       0.3048618     2.753376       0.3544382     190.2073 11.66379 197.7096 13.05650 -7.502319      17.50761 
1 1 1 3  2  63  o 225.4004 8.019062 3.528691       0.2495837     3.591817       0.3531909     3.465725       0.3527387     226.7470 11.28054 222.3880 11.52647 4.358994       16.12793 
1 1 1 3  2  64  o 107.9642 8.422492 0.8147581      0.1245688     0.8000299      0.1759055     0.8295743      0.1764294     106.2602 12.21054 108.2730 12.00280 -2.012772      17.12205 
1 1 1 3  2  65  o 258.7246 8.049430 4.648027       0.2875682     4.716199       0.4069673     4.580045       0.4063989     259.8857 11.34068 256.0677 11.49370 3.817993       16.14671 
1 1 1 3  2  66  o 106.5578 8.446844 0.7936413      0.1232665     0.7783867      0.1741166     0.8089693      0.1745344     104.8122 12.26247 106.9273 12.02990 -2.115089      17.17809 
1 1 1 3  2  67  o 249.1900 8.056910 4.310547       0.2772281     4.185660       0.3913598     4.436333       0.3927634     244.8477 11.57556 252.1435 11.28094 -7.295746      16.16333 
1 1 1 3  2  68  o 107.7972 8.485331 0.8118902      0.1252821     0.8327267      0.1771469     0.7910402      0.1772045     108.5464 12.02080 105.6884 12.37691 2.857964       17.25363 
1 1 1 3  2  69  o 142.6716 8.238427 1.417582       0.1616099     1.401538       0.2284920     1.433641       0.2286097     141.2143 11.82693 142.8627 11.69119 -1.648361      16.63010 
1 1 1 3  2  70  o 168.4851 8.147288 1.970191       0.1895451     1.904941       0.2679401     2.035555       0.2681745     164.7798 11.85517 170.4492 11.46083 -5.669434      16.48926 
1 1 1 3  2  71  o 299.3931 8.142689 6.220950       0.3366260     6.361031       0.4773579     6.082380       0.4747747     301.9791 11.44799 295.2381 11.64601 6.741028       16.33053 
1 1 1 3  2  72  o 256.7416 8.118788 4.574697       0.2878230     4.634132       0.4077152     4.515651       0.4063745     257.7415 11.45604 254.3995 11.56837 3.341980       16.28091 
1 1 1 3  2  73  o 197.1648 8.138806 2.698187       0.2215787     2.916790       0.3148439     2.483658       0.3118962     204.2143 11.20818 188.1963 12.06577 16.01801       16.46833 
1 1 1 3  2  74  o 224.0988 8.135381 3.486119       0.2517418     3.680181       0.3573827     3.294996       0.3546663     229.6819 11.26857 216.8906 11.88773 12.79131       16.37983 
1 1 1 3  2  75  o 188.0123 8.186552 2.454511       0.2125325     2.474141       0.3010776     2.435013       0.3000576     187.8631 11.66408 186.3526 11.72059 1.510544       16.53550 
1 1 1 3  2  76  o 58.60103 10.82729 0.2470251      0.8438458E-01 0.3025278      0.1200084     0.1927459      0.1186783     64.43698 13.89634 51.90036 15.42804 12.53662       20.76373 
1 1 1 3  2  77  o 98.60403 10.42874 0.6855149      0.1398374     0.6914036      0.1970667     0.6795424      0.1984606     97.96539 15.04945 97.03331 15.32053 0.9320755      21.47568 
1 1 1 3  2  78  o 217.9671 10.42413 3.315656       0.3137392     3.517848       0.5013419     3.185502       0.4022378     222.1871 16.45799 212.3738 13.79119 9.813278       21.47236 
1 1 1 3  2  79  o 220.8038 8.833896 3.393743       0.2693375     3.353441       0.3572525     3.446815       0.4099668     218.4589 11.88790 220.9344 13.50322 -2.475510      17.99053 
1 1 1 3  2  80  o 192.2516 8.902586 2.574511       0.2363328     2.487228       0.3135037     2.689402       0.3596859     187.8802 12.14941 194.9637 13.44292 -7.083450      18.11961 
1 1 1 3  2  81  o 128.1868 11.00611 1.158827       0.1929224     1.234089       0.3042067     1.108193       0.2495170     130.3820 17.32619 124.2733 14.83381 6.108742       22.80875 
1 1 1 3  2  82  o 174.4248 9.774061 2.131542       0.2344600     2.032797       0.3285238     2.234045       0.3347160     168.9558 14.21378 177.3330 13.77754 -8.377136      19.79526 
1 1 1 3  2  83  o 240.9778 8.325406 4.044402       0.2770260     3.976828       0.3911880     4.112383       0.3923625     237.5755 11.96299 241.9559 11.74393 -4.380325      16.76404 
1 1 1 3  2  84  o 92.68647 9.585110 0.6063067      0.1209014     0.6619510      0.1707913     0.5504155      0.1711702     95.99931 13.23628 86.96124 14.78410 9.038063       19.84361 
1 1 1 3  2  85  o 116.4795 9.049562 0.9522796      0.1444083     0.8086658      0.2031158     1.099071       0.2053508     105.9553 14.24379 124.4275 12.10532 -18.47217      18.69290 
1 1 1 3  2  86  o 139.0576 8.783370 1.353994       0.1677863     1.355414       0.2373388     1.352576       0.2372326     138.1270 12.58175 137.9782 12.59029 0.1488342      17.79932 
1 1 1 3  2  87  o 170.7489 8.593994 2.038135       0.2019757     2.098028       0.2860439     1.978580       0.2852315     172.2114 12.10605 167.0973 12.45141 5.114166       17.36646 
1 1 1 3  2  88  o 93.44121 9.692148 0.6169627      0.1232347     0.6776862      0.1748260     0.5569915      0.1737394     97.02421 13.40759 87.35992 14.93971 9.664284       20.07383 
1 1 1 3  2  89  o 100.1947 9.665391 0.7084817      0.1320626     0.7860221      0.1873137     0.6318436      0.1862205     104.6378 13.26174 93.13715 14.98841 11.50061       20.01315 
1 1 1 3  2  90  o 60.35557 12.62465 0.2663749      0.1018323     0.2472419      0.1437965     0.2856235      0.1442298     58.01573 16.91177 62.02138 16.53836 -4.005650      23.65429 
1 1 1 3  2  91  o 165.8801 8.847538 1.926632       0.2019218     1.936790       0.2857243     1.916498       0.2853971     165.1372 12.62606 164.2448 12.68227 0.8924103      17.89573 
1 1 1 3  2  92  o 55.30149 13.05161 0.2248449      0.9805974E-01 0.3086765      0.1387764     0.1412522      0.1385786     64.45676 15.73066 47.25032 16.84235 17.20644       23.04601 
1 1 1 3  2  93  o 38.91463 13.38724 0.9876218E-01  0.8704281E-01 0.1084577      0.1223208     0.8881662E-01  0.1238884     42.89760 15.75017 41.22709 15.70202 1.670506       22.24008 
1 1 1 3  2  94  o 98.59229 10.40137 0.6897792      0.1394654     0.7294610      0.1972146     0.6500819      0.1972532     100.1357 14.70071 94.07972 15.74020 6.055992       21.53753 
1 1 1 3  2  95  o 41.18913 14.17259 0.1117068      0.9755734E-01 0.1982259      0.1371848     0.2318602E-01  0.1387626     52.61505 16.76122 37.63327 15.79850 14.98178       23.03326 
1 1 1 3  2  96  o 89.24375 12.38996 0.5748310      0.1485622     0.7197860      0.1941874     0.3702487      0.2306952     99.28642 14.60024 69.93266 21.66073 29.35375       26.12191 
1 1 1 3  2  97  o 84.34529 15.76859 0.5294970      0.1768982     0.6092719      0.2852973     0.4796705      0.2254733     87.80045 23.18802 78.70476 20.53173 9.095695       30.97154 
1 1 1 3  2  98  o 60.99314 15.78526 0.2809553      0.1339703     0.2745676      0.1996561     0.2861869      0.1806863     61.00925 20.27836 61.62317 19.18340 -0.6139145     27.91442 
1 1 1 3  2  99  o 99.69151 11.03612 0.7147730      0.1493707     0.7984881      0.2114408     0.6313721      0.2110437     103.6799 15.22246 91.00355 17.42952 12.67638       23.14112 
1 1 1 3  2  100 o 53.86245 16.10864 0.2191003      0.1290901     0.3071002      0.1837879     0.1334115      0.1813583     62.90550 19.30875 48.59650 18.87031 14.30900       26.99845 
1 1 1 3  2  101 o 87.47783 17.46332 0.5948177      0.2035540     0.3713587      0.2717451     0.8804862      0.3072515     68.16016 23.64228 103.7694 22.11909 -35.60927      32.37610 
1 1 1 3  2  102 f 68.51431 16.19894 0.3664229      0.1508382     0.2415602      0.2036163     0.5182824      0.2245520     56.96117 20.40363 79.54371 20.35887 -22.58254      28.82346 
1 1 1 3  2  103 o 37.74355 14.51164 0.8014780E-01  0.1064402     0.5432635E-01  0.1501780     0.1062122      0.1508828     39.82261 16.55437 43.61865 17.13364 -3.796043      23.82454 
1 1 1 3  2  104 o 59.41790 15.18336 0.2766442      0.1250360     0.2423415      0.1774985     0.3104332      0.1761643     55.74074 19.12045 61.79364 18.89349 -6.052902      26.88040 
1 1 1 3  2  105 o 42.17929 15.19277 0.1222500      0.1130422     -0.8361729E-02 0.1596646     0.2535224      0.1600679     36.72984 16.18231 56.35917 18.12128 -19.62933      24.29502 
1 1 1 3  2  106 o 48.97298 15.50191 0.1852729      0.1174889     0.3910760      0.1670167     -0.1633411E-01 0.1653052     69.35695 17.45334 36.80713 16.32807 32.54982       23.90031 
1 1 1 3  2  107 o 42.32895 14.97415 0.1269951      0.1093420     0.2078207      0.1558276     0.4860144E-01  0.1534654     51.83374 17.90751 39.32237 16.56652 12.51136       24.39526 
1 1 1 3  2  108 o 33.76395 13.97333 0.3852320E-01  0.1063175     -0.4718967E-01 0.1503341     0.1242852      0.1503772     33.54250 15.16948 44.45880 17.20555 -10.91629      22.93783 
1 1 1 3  2  109 o 59.95809 14.79184 0.2834063      0.1217068     0.2874140      0.1721548     0.2794019      0.1720839     59.15606 18.76913 58.42623 18.78947 0.7298241      26.55795 
1 1 1 3  2  110 o 55.63941 15.03051 0.2445572      0.1182032     0.9305383E-01  0.1667397     0.3976146      0.1675926     43.32825 17.66706 69.82785 17.43478 -26.49960      24.82129 
1 1 1 3  2  111 o 64.94925 14.28634 0.3295721      0.1246423     0.3306498      0.1751656     0.3284669      0.1773973     63.05100 18.74361 62.79758 18.90694 0.2534180      26.62321 
1 1 1 3  2  112 o 34.19573 13.62407 0.5675762E-01  0.9666521E-01 0.6648921E-01  0.1346299     0.4640194E-01  0.1388796     38.69083 15.83685 37.65292 15.80587 1.037903       22.37480 
1 1 1 3  2  113 o 29.40592 12.51498 0.1393809E-01  0.8905879E-01 0.6185583E-01  0.1243887     -0.3646034E-01 0.1275678     37.22862 15.22865 31.15398 14.04201 6.074638       20.71449 
1 1 1 3  2  114 o 27.29788 12.02271 -0.9734726E-02 0.8805757E-01 0.4140785E-01  0.1229307     -0.6363204E-01 0.1261980     35.30480 14.84802 29.38277 13.51890 5.922028       20.08044 
1 1 1 3  2  115 o 37.48853 14.81113 0.8440153E-01  0.1133609     0.1700165      0.1575359     -0.7536592E-02 0.1632498     46.91004 17.74457 35.85973 16.04580 11.05031       23.92358 
1 1 1 3  2  116 o 24.13794 11.59029 -0.1292209     0.1121188     0.4234264E-01  0.1648161     -0.2770011     0.1529661     38.02059 16.60363 24.80535 12.25314 13.21524       20.63541 
1 1 1 3  2  117 o 32.93075 14.67489 0.7319902E-02  0.1350543     -0.5083703E-01 0.1909354     0.6555031E-01  0.1910559     35.01957 16.29173 40.03166 17.66603 -5.012089      24.03142 
1 1 1 3  2  118 o 30.24106 14.08354 -0.5013231E-01 0.1432873     -0.1918470     0.1780427     0.2103973      0.2414045     28.69729 13.97507 47.06975 20.32706 -18.37245      24.66763 
1 1 1 3  2  119 o ?        ?        -0.3912727     0.1050304     0.000000       0.000000      -0.3912727     0.1050304     ?        ?        ?        ?        0.000000       ?        
1 1 1 3  2  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  1   o 475.5451 23.53755 15.70345       1.545578      15.70345       1.545578      0.000000       0.000000      475.5451 23.53755 ?        ?        0.000000       23.53755 
1 1 1 3  3  2   o 451.2397 16.55457 14.09818       1.031486      14.09818       1.031486      0.000000       0.000000      451.2397 16.55457 ?        ?        0.000000       16.55457 
1 1 1 3  3  3   o 562.4148 17.02079 21.90450       1.321827      21.90450       1.321827      0.000000       0.000000      562.4148 17.02079 ?        ?        0.000000       17.02079 
1 1 1 3  3  4   o 397.7040 16.17674 10.94999       0.8883601     10.94999       0.8883601     0.000000       0.000000      397.7040 16.17674 ?        ?        0.000000       16.17674 
1 1 1 3  3  5   o 550.7952 13.85347 20.98741       1.053627      20.58862       1.282007      21.81737       1.849460      545.2584 17.02747 560.4728 23.89749 -15.21442      29.34323 
1 1 1 3  3  6   o 426.6601 13.32936 12.59154       0.7852887     12.54348       0.9624346     12.68725       1.358309      425.6441 16.37520 426.8668 23.13088 -1.222687      28.34052 
1 1 1 3  3  7   o 551.0269 13.84348 21.00507       1.053309      21.13780       1.293369      20.74368       1.815065      552.4886 16.95356 546.4838 24.05342 6.004822       29.42771 
1 1 1 3  3  8   o 178.3567 12.91728 2.211590       0.3159708     2.379601       0.3883213     1.882405       0.5435521     184.7899 15.35775 162.7431 24.98662 22.04686       29.32902 
1 1 1 3  3  9   o 71.05226 13.51951 0.3608410      0.1277944     0.3257384      0.1564766     0.4311512      0.2214568     67.28032 16.87323 77.47086 20.41502 -10.19054      26.48545 
1 1 1 3  3  10  o 650.5409 12.55195 29.26682       1.127519      29.75485       1.599316      28.78456       1.589830      655.4108 17.67188 644.6131 17.86132 10.79767       25.12613 
1 1 1 3  3  11  o 348.6500 11.43295 8.403966       0.5504097     8.474382       0.7781494     8.333461       0.7786446     349.8710 16.10709 346.9412 16.25344 2.929810       22.88258 
1 1 1 3  3  12  o 528.3490 11.94707 19.30203       0.8716061     19.13450       1.229054      19.47154       1.236251      525.6526 16.93301 530.2666 16.88397 -4.613953      23.91224 
1 1 1 3  3  13  o 501.7692 11.85559 17.40846       0.8214195     17.34771       1.161612      17.46923       1.161714      500.5182 16.80750 502.2733 16.75024 -1.755188      23.72894 
1 1 1 3  3  14  o 144.3978 11.17839 1.450083       0.2211468     1.496366       0.3137519     1.404387       0.3117552     146.1806 15.79492 141.5032 16.25029 4.677383       22.66167 
1 1 1 3  3  15  o 120.8333 11.24668 1.018114       0.1854955     0.9962041      0.2628739     1.039844       0.2617900     118.8295 16.46311 121.5210 15.98962 -2.691513      22.94999 
1 1 1 3  3  16  o 68.80650 11.84116 0.3366421      0.1084447     0.3801015      0.1533619     0.2931805      0.1533659     72.70835 15.73242 63.95995 17.05357 8.748402       23.20201 
1 1 1 3  3  17  o 267.4220 11.21486 4.944061       0.4141226     4.972510       0.5858822     4.915656       0.5854334     267.5371 15.93160 265.9896 16.01416 1.547485       22.58914 
1 1 1 3  3  18  o 361.0941 11.43000 9.014767       0.5699078     9.002118       0.8050048     9.027472       0.8069414     360.5892 16.16768 361.0956 16.18385 -0.5064392     22.87599 
1 1 1 3  3  19  o 307.5884 11.32191 6.540996       0.4808700     6.465615       0.6782568     6.617180       0.6818634     305.1705 16.15335 308.7469 16.04933 -3.576447      22.77085 
1 1 1 3  3  20  o 98.51657 11.44944 0.6800647      0.1528465     0.6583221      0.2163604     0.7017258      0.2159553     96.09505 16.92388 99.38628 16.30154 -3.291229      23.49804 
1 1 1 3  3  21  o 116.7234 11.32133 0.9508009      0.1801763     0.9853038      0.2552090     0.9165143      0.2544085     118.2218 16.04847 113.8487 16.67777 4.373093       23.14522 
1 1 1 3  3  22  o 84.76057 11.74062 0.5062292      0.1337215     0.5279981      0.1892645     0.4845307      0.1889575     85.87717 16.56100 82.10989 17.21608 3.767281       23.88850 
1 1 1 3  3  23  f 163.1811 10.20569 1.847796       0.2288034     2.356358       0.3632983     1.513472       0.2945608     183.9638 14.41727 147.1504 14.69336 36.81340       20.58525 
1 1 1 3  3  24  o 1177.705 13.88674 95.97309       2.258264      95.42019       2.894729      96.83284       3.609653      1173.451 17.86507 1180.943 22.13597 -7.491089      28.44578 
1 1 1 3  3  25  o 659.6356 11.26097 30.08617       1.025694      28.93965       1.302521      31.95767       1.664130      646.6166 14.58814 679.0884 17.74692 -32.47174      22.97318 
1 1 1 3  3  26  o 445.8996 10.75129 13.74636       0.6619657     14.97153       0.8666226     12.03022       1.025668      465.1602 13.49241 416.6308 17.82861 48.52939       22.35855 
1 1 1 3  3  27  o 344.2270 10.26001 8.191439       0.4876754     8.477652       0.6303799     7.764812       0.7696313     350.0496 13.04172 334.7895 16.64841 15.26007       21.14843 
1 1 1 3  3  28  o 798.7891 11.86108 44.13078       1.308260      43.86682       1.681115      44.53610       2.083205      795.9297 15.29624 801.3724 18.82606 -5.442688      24.25686 
1 1 1 3  3  29  o 504.1101 10.73233 17.57132       0.7470634     17.36870       0.9625488     17.87828       1.184739      500.9418 13.91546 507.9373 16.89174 -6.995422      21.88540 
1 1 1 3  3  30  o 174.5691 9.235542 2.112249       0.2218299     2.115605       0.2714402     2.105500       0.3849161     174.5365 11.32406 173.5756 16.24885 0.9608612      19.80554 
1 1 1 3  3  31  o 65.26434 10.18105 0.3015133      0.8875558E-01 0.3046006      0.1079743     0.2950808      0.1558541     65.27364 12.43371 64.16101 17.22831 1.112633       21.24645 
1 1 1 3  3  32  o 500.6268 11.99541 17.33875       0.8292150     16.10951       1.155433      18.64426       1.190738      482.0200 17.35968 518.6478 16.62669 -36.62775      24.03758 
1 1 1 3  3  33  f 517.4570 12.03377 18.52590       0.8598326     18.21171       1.210263      18.84611       1.221793      512.4958 17.10218 521.3629 16.97147 -8.867065      24.09389 
1 1 1 3  3  34  o 114.9992 9.429504 0.9204161      0.1484172     0.9397805      0.1825646     0.8826754      0.2548710     115.9804 11.55348 111.5522 17.09104 4.428230       20.62975 
1 1 1 3  3  35  o 337.5314 9.486085 7.876959       0.4421190     7.359209       0.6230001     8.402261       0.6275260     325.9867 13.84045 348.3823 13.04481 -22.39566      19.01907 
1 1 1 3  3  36  o 688.6526 10.47192 32.80240       0.9957826     31.63469       1.709470      33.40211       1.225090      675.0058 18.34071 694.6088 12.77291 -19.60303      22.35014 
1 1 1 3  3  37  o 408.0624 9.495224 11.51463       0.5350197     11.42901       0.7583870     11.59945       0.7548894     406.2119 13.52073 409.2453 13.35862 -3.033417      19.00692 
1 1 1 3  3  38  o 331.0594 8.636729 7.577381       0.3948147     7.561870       0.5230210     7.597927       0.6019705     330.5472 11.45903 331.2061 13.16251 -0.6589355     17.45168 
1 1 1 3  3  39  o 195.9424 8.477006 2.654468       0.2293554     2.648185       0.3498968     2.659201       0.3037015     195.0881 13.06435 195.6870 11.28741 -0.5989685     17.26508 
1 1 1 3  3  40  o 318.8140 8.675941 7.028520       0.3819372     6.908945       0.5822430     7.118837       0.5060231     315.7518 13.35428 320.6712 11.42806 -4.919403      17.57661 
1 1 1 3  3  41  o 105.4680 8.845336 0.7747040      0.1276274     0.8106756      0.1945180     0.7475125      0.1691200     107.3204 13.41957 103.1863 12.09923 4.134056       18.06865 
1 1 1 3  3  42  o 95.67686 8.772694 0.6384699      0.1146079     0.6551399      0.1743742     0.6257922      0.1520662     96.27860 13.48647 94.30021 11.94625 1.978394       18.01660 
1 1 1 3  3  43  o 190.7201 8.497181 2.516040       0.2237739     2.391972       0.3399855     2.610868       0.2972337     185.2256 13.38303 193.8313 11.15248 -8.605774      17.42078 
1 1 1 3  3  44  o 100.5130 8.786648 0.7043728      0.1207249     0.6504080      0.1831501     0.7458349      0.1605376     95.74626 14.29063 103.1116 11.46975 -7.365372      18.32423 
1 1 1 3  3  45  o 225.8180 8.502227 3.528756       0.2651119     3.530757       0.4039295     3.527243       0.3513873     225.1610 13.04788 225.2883 11.33177 -0.1273041     17.28168 
1 1 1 3  3  46  o 100.2755 9.033521 0.7018122      0.1237378     0.5937586      0.1881477     0.7841685      0.1642584     91.11586 15.51000 105.7230 11.43388 -14.60711      19.26899 
1 1 1 3  3  47  o 314.8807 8.625710 6.865133       0.3750412     7.013038       0.5732428     6.754447       0.4959006     317.6643 13.06870 311.9823 11.51136 5.681976       17.41558 
1 1 1 3  3  48  o 80.26579 9.232914 0.4522387      0.1004669     0.4714043      0.1531540     0.4377616      0.1331087     81.13316 14.18735 78.37402 12.73710 2.759132       19.06606 
1 1 1 3  3  49  o 167.3086 8.588438 1.944183       0.1977446     2.050273       0.3019081     1.864476       0.2616902     171.2068 12.86479 163.4153 11.67415 7.791534       17.37206 
1 1 1 3  3  50  o 301.2927 8.046458 6.287492       0.3347583     6.170333       0.4717146     6.406359       0.4751435     297.9817 11.46441 303.6499 11.33219 -5.668243      16.11990 
1 1 1 3  3  51  o 107.6150 8.509361 0.8077070      0.1254153     0.9056275      0.1775037     0.7100941      0.1772248     113.5527 11.47827 100.1088 13.13799 13.44383       17.44584 
1 1 1 3  3  52  o 120.3412 8.244581 1.008606       0.1361744     1.085374       0.1927290     0.9320744      0.1924306     124.3961 11.34503 115.0291 12.30605 9.366989       16.73764 
1 1 1 3  3  53  o 490.1178 8.991977 16.67391       0.6085463     16.61193       0.8032006     16.75744       0.9324107     488.2207 11.91434 489.5764 13.79268 -1.355713      18.22607 
1 1 1 3  3  54  o 132.4407 9.519710 1.225029       0.1729323     1.190172       0.2430814     1.260750       0.2460726     129.7175 13.78222 133.6055 13.52463 -3.887939      19.30972 
1 1 1 3  3  55  o 139.1287 10.34788 1.354538       0.1973730     1.413138       0.3130951     1.315894       0.2542561     140.7382 16.41982 136.4355 13.68030 4.302612       21.37197 
1 1 1 3  3  56  o 103.0787 9.837219 0.7459286      0.1383169     0.8048328      0.1970479     0.6887134      0.1942024     106.3116 13.74496 97.96298 14.81975 8.348648       20.21259 
1 1 1 3  3  57  o 211.6662 8.564374 3.112744       0.2503139     3.131327       0.3314839     3.088089       0.3818244     211.4909 11.39298 209.5088 13.26696 1.982117       17.48749 
1 1 1 3  3  58  o 123.8409 10.48511 1.076691       0.1776141     1.080515       0.2804406     1.074130       0.2295130     122.4360 17.05079 122.9674 13.75248 -0.5313339     21.90571 
1 1 1 3  3  59  o 328.7112 10.29738 7.533885       0.4673898     7.515523       0.7377311     7.546195       0.6040959     325.4479 16.47003 327.8894 13.34260 -2.441467      21.19639 
1 1 1 3  3  60  o 80.98786 9.634830 0.4630594      0.1056318     0.3952035      0.1386494     0.5569327      0.1630780     73.79574 14.12102 88.01121 13.87886 -14.21547      19.79964 
1 1 1 3  3  61  o 205.8476 8.049634 2.943063       0.2288021     2.919778       0.3233937     2.966399       0.3237566     204.0811 11.52312 205.7301 11.44202 -1.649048      16.23891 
1 1 1 3  3  62  f 94.93276 8.771478 0.6317539      0.1136812     0.5921052      0.1602228     0.6719484      0.1613217     91.01148 13.12915 97.25523 12.28688 -6.243744      17.98171 
1 1 1 3  3  63  o 283.9902 8.097797 5.600412       0.3175471     5.387558       0.4474371     5.816423       0.4507401     277.6826 11.66931 288.6272 11.30970 -10.94455      16.25060 
1 1 1 3  3  64  f 87.14767 8.979874 0.5334843      0.1065121     0.4593271      0.1500118     0.6088781      0.1512576     79.74847 14.14051 92.56426 12.12572 -12.81579      18.62759 
1 1 1 3  3  65  o 220.9748 8.094349 3.389759       0.2469805     3.323518       0.3489980     3.456218       0.3495690     217.8710 11.64289 222.2452 11.42971 -4.374191      16.31549 
1 1 1 3  3  66  o 74.85439 9.285727 0.3954019      0.9391684E-01 0.4304109      0.1330068     0.3605905      0.1326309     77.44065 12.89170 70.49471 14.11771 6.945946       19.11820 
1 1 1 3  3  67  o 173.6633 8.138165 2.093185       0.1951518     2.115022       0.2761589     2.071401       0.2758140     173.7283 11.57831 171.8948 11.68970 1.833496       16.45316 
1 1 1 3  3  68  o 88.78839 8.971876 0.5532175      0.1084871     0.6375355      0.1533040     0.4686355      0.1535440     94.83299 11.97418 80.58745 14.32315 14.24554       18.66905 
1 1 1 3  3  69  o 225.1369 8.119213 3.517636       0.2524054     3.634414       0.3577869     3.401937       0.3561291     228.2814 11.35052 220.4810 11.73993 7.800339       16.32974 
1 1 1 3  3  70  o 61.31577 10.34535 0.2687857      0.8447294E-01 0.2832171      0.1193043     0.2542773      0.1196219     62.34571 14.17864 59.04129 14.72316 3.304428       20.44028 
1 1 1 3  3  71  o 139.4380 8.348715 1.354607       0.1600062     1.404314       0.2266130     1.305190       0.2259543     141.3755 11.71393 136.1708 12.14453 5.204712       16.87323 
1 1 1 3  3  72  o 73.31467 9.584359 0.3800947      0.9470426E-01 0.4126337      0.1341172     0.3477346      0.1337477     75.69311 13.31818 69.13272 14.47499 6.560387       19.66975 
1 1 1 3  3  73  o 108.1075 8.765369 0.8173873      0.1297206     0.8455904      0.1831589     0.7890025      0.1837477     109.2952 12.35320 105.4104 12.89285 3.884872       17.85573 
1 1 1 3  3  74  o 58.76404 10.62764 0.2480537      0.8306128E-01 0.2507023      0.1171440     0.2453758      0.1177914     58.57076 14.54962 57.95216 14.69802 0.6185951      20.68147 
1 1 1 3  3  75  o 59.30513 12.51016 0.2554121      0.9922291E-01 0.2632235      0.1374258     0.2469055      0.1434102     59.99891 16.20600 58.35722 16.85397 1.641689       23.38142 
1 1 1 3  3  76  o 79.55056 12.53495 0.4539058      0.1331327     0.5942510      0.2150065     0.3666350      0.1695459     89.88950 17.95067 70.46472 17.50373 19.42478       25.07204 
1 1 1 3  3  77  o 242.8257 9.541934 4.109499       0.3199404     4.206415       0.4559047     4.015455       0.4491002     244.1474 13.57699 238.4797 13.69555 5.667679       19.28478 
1 1 1 3  3  78  o 309.6358 8.854707 6.676480       0.3785850     6.696097       0.5016658     6.650529       0.5770046     309.0828 11.75443 307.2496 13.60035 1.833160       17.97599 
1 1 1 3  3  79  o 47.46511 13.88428 0.1621106      0.9677134E-01 0.1404024      0.1517808     0.1769789      0.1256135     48.33000 17.57486 50.26800 16.04142 -1.938000      23.79502 
1 1 1 3  3  80  o 215.4696 10.54353 3.248733       0.3136968     3.373214       0.4935147     3.164340       0.4063499     216.8586 16.60729 211.1455 14.01702 5.713120       21.73198 
1 1 1 3  3  81  o 65.49025 12.03566 0.3105182      0.1048283     0.3202360      0.1370881     0.2968347      0.1626727     65.87280 15.35499 63.39375 17.83407 2.479053       23.53359 
1 1 1 3  3  82  o 108.7202 9.259615 0.8308091      0.1376840     0.9587914      0.1951929     0.7040737      0.1942397     116.0939 12.36671 98.63787 14.71108 17.45604       19.21852 
1 1 1 3  3  83  o 96.48409 9.481986 0.6562589      0.1246943     0.6606148      0.1765947     0.6519276      0.1760950     95.74480 13.75226 95.08436 13.81654 0.6604385      19.49414 
1 1 1 3  3  84  o 114.2120 9.174992 0.9163024      0.1434745     0.8153265      0.2027102     1.017665       0.2030976     106.4125 14.14629 119.5709 12.48516 -13.15833      18.86788 
1 1 1 3  3  85  o 96.95350 9.559660 0.6630923      0.1263149     0.6877226      0.1788508     0.6385798      0.1784224     97.72227 13.62503 93.94009 14.19793 3.782181       19.67797 
1 1 1 3  3  86  o 283.4376 8.400930 5.600472       0.3287932     5.528497       0.4648222     5.672548       0.4651455     280.2042 12.01363 283.8990 11.86552 -3.694824      16.88544 
1 1 1 3  3  87  o 79.09563 10.54295 0.4459960      0.1122796     0.5638896      0.1594958     0.3301742      0.1580880     88.31668 13.50821 66.55911 17.10749 21.75757       21.79766 
1 1 1 3  3  88  o 76.27286 10.95129 0.4163634      0.1120295     0.3751610      0.1578649     0.4581650      0.1590086     71.02330 16.42456 78.97277 15.13247 -7.949471      22.33289 
1 1 1 3  3  89  o 102.3325 9.861267 0.7396063      0.1376179     0.6132877      0.1936213     0.8685679      0.1956366     91.40835 15.91856 110.0820 13.12955 -18.67367      20.63457 
1 1 1 3  3  90  o 226.7654 8.561378 3.588347       0.2680763     3.786370       0.3801208     3.392403       0.3781213     231.4966 11.93216 218.8160 12.56725 12.68054       17.32952 
1 1 1 3  3  91  o 83.03617 10.79398 0.4919753      0.1208352     0.5611380      0.1698069     0.4210248      0.1719876     87.72671 14.52629 75.10186 16.98288 12.62485       22.34796 
1 1 1 3  3  92  o 60.97873 13.04532 0.2729782      0.1065212     0.2832612      0.1495200     0.2623801      0.1517931     61.69075 17.00521 59.58598 17.37741 2.104767       24.31360 
1 1 1 3  3  93  o 140.1563 9.265162 1.380868       0.1782980     1.586469       0.2518865     1.174399       0.2524172     149.2839 12.32987 127.4917 14.60164 21.79219       19.11108 
1 1 1 3  3  94  o 43.96986 14.09612 0.1357441      0.9691017E-01 -0.3806527E-01 0.1343336     0.3243689      0.1399418     33.21085 14.72661 65.91838 15.61472 -32.70753      21.46375 
1 1 1 3  3  95  o 34.19062 14.07649 0.3071792E-01  0.1071368     0.5147734E-01  0.1449295     0.5704596E-02  0.1590870     40.21072 16.44205 38.77877 16.62062 1.431950       23.37918 
1 1 1 3  3  96  o 108.3073 15.46635 0.8640997      0.2247350     1.141691       0.3306689     0.6258116      0.3063671     122.2745 20.29653 88.37223 24.33436 33.90228       31.68770 
1 1 1 3  3  97  o 122.8869 11.62726 1.083903       0.1949518     1.229544       0.2845057     0.9549885      0.2676708     128.6645 16.38565 112.4572 17.83261 16.20734       24.21759 
1 1 1 3  3  98  o 80.15916 13.22093 0.4741972      0.1412342     0.4069742      0.1886154     0.5599948      0.2130866     72.21275 18.74995 84.89436 18.68429 -12.68161      26.47004 
1 1 1 3  3  99  o 32.07692 13.77226 0.3462530E-02  0.1095749     0.2200726      0.1621832     -0.1784505     0.1486272     54.54312 18.27955 28.42108 13.56494 26.12204       22.76290 
1 1 1 3  3  100 o 52.56570 17.31869 0.2068976      0.1457463     0.2015711      0.2111059     0.2117487      0.2014647     54.59687 20.56726 54.91577 20.20555 -0.3188972     28.83187 
1 1 1 3  3  101 o 44.35069 15.66431 0.1365229      0.1196075     0.2651279      0.1533703     -0.6309942E-01 0.1910807     58.09366 17.60007 37.71648 17.07555 20.37718       24.52217 
1 1 1 3  3  102 o 81.82328 13.24718 0.5042520      0.1445551     0.4900614      0.2028809     0.5188848      0.2060188     77.44995 19.09230 79.81684 18.97181 -2.366890      26.91553 
1 1 1 3  3  103 o 42.91357 15.14178 0.1293926      0.1117343     0.2917765      0.1560098     -0.4162160E-01 0.1601019     60.22562 17.63236 35.13158 15.79258 25.09404       23.67078 
1 1 1 3  3  104 o 53.98412 15.36728 0.2291561      0.1200473     0.2112017      0.1669879     0.2483601      0.1727012     52.59896 18.51605 55.93304 18.86240 -3.334072      26.43169 
1 1 1 3  3  105 o 28.63945 12.70815 -0.2076143E-01 0.1001981     -0.5007585E-01 0.1380623     0.1186118E-01  0.1456444     31.99665 14.49769 36.31258 15.73499 -4.315931      21.39563 
1 1 1 3  3  106 o 30.65681 13.12633 0.1032919E-01  0.9904734E-01 0.3741785E-01  0.1364374     -0.1985328E-01 0.1440180     36.94231 15.59513 34.26421 15.21832 2.678101       21.79003 
1 1 1 3  3  107 o 71.74911 14.02863 0.3985271      0.1340050     0.4186996      0.1861359     0.3768218      0.1930781     70.89313 18.73294 66.81913 19.63066 4.073997       27.13459 
1 1 1 3  3  108 o 38.49932 14.41869 0.9360932E-01  0.1034581     0.2218014      0.1425572     -0.4903707E-01 0.1503797     52.94761 17.10947 33.47079 15.15125 19.47682       22.85376 
1 1 1 3  3  109 o 56.47458 15.03784 0.2520944      0.1193545     0.1323717      0.1658024     0.3808610      0.1719509     46.03825 17.99659 68.00739 18.02155 -21.96914      25.46868 
1 1 1 3  3  110 o 56.89136 14.69454 0.2553919      0.1162472     0.2378865      0.1616554     0.2741379      0.1672859     54.54298 18.24992 57.88439 18.51629 -3.341412      25.99832 
1 1 1 3  3  111 o 33.62717 13.56518 0.5027486E-01  0.9710180E-01 0.6832946E-01  0.1344023     0.3056111E-01  0.1404421     38.77132 15.84129 36.72309 15.67460 2.048225       22.28541 
1 1 1 3  3  112 f 53.63735 14.82816 0.2302031      0.1134952     0.2045177      0.1581899     0.2574501      0.1629280     50.93418 18.01179 55.73503 18.30859 -4.800846      25.68324 
1 1 1 3  3  113 o 68.18673 13.78479 0.3678625      0.1253266     0.4427947      0.1753944     0.2896937      0.1791422     72.15665 17.73043 57.81214 19.20802 14.34451       26.14032 
1 1 1 3  3  114 o 33.43445 14.69989 0.7154519E-02  0.1311336     0.1108352      0.2090869     -0.6007044E-01 0.1683617     45.09323 19.18328 33.82002 15.58059 11.27321       24.71341 
1 1 1 3  3  115 o 37.34813 15.85456 0.6143250E-01  0.1422780     0.1462099      0.2071914     -0.1421797E-01 0.1957211     45.96095 19.30018 37.51176 17.09909 8.449184       25.78518 
1 1 1 3  3  116 o 28.88871 13.43536 -0.5987996E-01 0.1296908     -0.1065262     0.1869505     -0.1660689E-01 0.1800642     32.60560 15.46240 35.41689 16.24080 -2.811295      22.42430 
1 1 1 3  3  117 o 53.82547 20.18338 0.3238790      0.2028435     0.4837670      0.2549236     0.4793402E-01  0.3348986     61.60353 22.71935 43.13976 20.52677 18.46377       30.61890 
1 1 1 3  3  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  0   o 485.4337 23.71024 16.43396       1.580647      16.43396       1.580647      0.000000       0.000000      485.4337 23.71024 485.4337 23.71024 -0.000000      0.000000 
1 1 1 3  4  1   o 379.6915 16.16865 9.981297       0.8477009     9.874959       1.197380      10.08815       1.200286      376.4126 23.14943 380.4977 22.95263 -4.085144      32.59937 
1 1 1 3  4  2   o 170.0773 11.21943 2.008489       0.2620044     2.069185       0.3034411     1.830657       0.5193919     172.4924 12.83174 160.5778 24.17402 11.91458       27.36854 
1 1 1 3  4  3   o 260.6334 12.88075 4.698333       0.4635633     4.611012       0.5660757     4.876110       0.8077052     257.5831 15.99450 264.1156 22.35718 -6.532501      27.48941 
1 1 1 3  4  4   o 244.3056 15.78382 4.148931       0.5296085     4.148931       0.5296085     0.000000       0.000000      244.3056 15.78382 ?        ?        0.000000       15.78382 
1 1 1 3  4  5   o 308.5468 13.08177 6.585001       0.5573471     6.348095       0.6747967     7.093527       0.9886488     302.3640 16.22157 318.8660 22.60054 -16.50201      27.81948 
1 1 1 3  4  6   o 256.7937 12.96590 4.572698       0.4582667     4.588283       0.5604770     4.541267       0.7959691     256.9535 15.87441 254.7350 22.87299 2.218460       27.84188 
1 1 1 3  4  7   o 330.6628 13.03975 7.562864       0.5953777     7.369285       0.7276422     7.954997       1.035633      326.2416 16.15253 337.7948 22.32912 -11.55325      27.55891 
1 1 1 3  4  8   o 485.8099 13.54048 16.32739       0.9083189     16.28607       1.113852      16.40941       1.569336      484.9461 16.63397 486.0588 23.38240 -1.112732      28.69540 
1 1 1 3  4  9   o 300.9283 12.96979 6.263884       0.5389321     6.226242       0.6597916     6.339348       0.9342020     299.4525 16.01465 301.3294 22.61732 -1.876923      27.71303 
1 1 1 3  4  10  o 364.9373 13.18135 9.212698       0.6642264     9.014947       0.8113224     9.614670       1.156731      360.8154 16.28435 371.4310 22.66203 -10.61557      27.90605 
1 1 1 3  4  11  f 548.0099 13.89563 20.77915       1.051489      21.10387       1.294060      20.14815       1.803921      551.9802 16.97824 538.4299 24.26333 13.55023       29.61368 
1 1 1 3  4  12  o 319.0810 13.07923 7.042930       0.5762636     7.213375       0.7090912     6.711406       0.9889345     322.7687 15.91009 309.9723 23.27496 12.79639       28.19317 
1 1 1 3  4  13  o 325.9437 13.07316 7.349260       0.5883845     7.144398       0.7195493     7.762671       1.022164      320.7849 16.29814 333.6279 22.31681 -12.84305      27.63457 
1 1 1 3  4  14  f 735.6368 14.81533 37.45738       1.504918      37.39788       1.842763      37.57652       2.607662      734.5834 18.16730 734.9372 25.69586 -0.3538208     31.46947 
1 1 1 3  4  15  o 579.8767 14.04678 23.26929       1.124736      22.38389       1.361680      25.17044       1.995335      568.3928 17.34956 601.7662 24.01319 -33.37341      29.62500 
1 1 1 3  4  16  o 450.3363 11.70960 14.02454       0.7281435     13.80902       1.025234      14.24391       1.034327      446.4937 16.62914 453.4798 16.51817 -6.986115      23.43882 
1 1 1 3  4  17  o 651.7306 12.48735 29.38045       1.123767      29.14285       1.585315      29.62042       1.593207      648.4767 17.70448 653.7762 17.64839 -5.299561      24.99829 
1 1 1 3  4  18  o 386.9913 11.54959 10.35658       0.6171711     10.58778       0.8768952     10.12964       0.8687847     390.9766 16.24273 382.4081 16.45307 8.568481       23.11990 
1 1 1 3  4  19  o 919.8052 13.85729 58.55054       1.759998      59.68721       2.520952      57.46971       2.458259      927.5722 19.68244 910.2056 19.55916 17.36658       27.74813 
1 1 1 3  4  20  o 521.5284 11.99856 18.81265       0.8640626     18.89814       1.225966      18.72827       1.218011      522.2365 17.00095 519.8878 16.96694 2.348633       24.01894 
1 1 1 3  4  21  o 540.2003 12.05176 20.18480       0.8989659     20.27316       1.274732      20.09738       1.267955      540.8768 17.06799 538.5289 17.05128 2.347900       24.12597 
1 1 1 3  4  22  f 298.5913 11.34126 6.165813       0.4676019     6.115403       0.6608751     6.216350       0.6617036     296.6727 16.19381 299.1315 16.07902 -2.458832      22.82049 
1 1 1 3  4  23  o 301.6716 11.36309 6.293964       0.4733352     6.381913       0.6694909     6.206065       0.6693031     303.0923 16.05397 298.8481 16.28077 4.244202       22.86468 
1 1 1 3  4  24  o 520.3069 11.97572 18.72728       0.8603974     18.77654       1.215858      18.67787       1.217715      520.4860 16.91749 519.1082 16.98830 1.377808       23.97507 
1 1 1 3  4  25  o 305.6071 11.35261 6.459764       0.4790678     6.318512       0.6750940     6.603052       0.6799404     301.5268 16.27465 308.2903 16.02778 -6.763519      22.84193 
1 1 1 3  4  26  o 368.6032 16.31530 9.416504       0.8304091     10.17451       1.187389      8.690844       1.161782      381.8247 22.62199 352.5351 24.00923 29.28964       32.98784 
1 1 1 3  4  27  o 249.0069 23.05038 4.350621       0.7835609     4.350621       0.7835609     0.000000       0.000000      249.0069 23.05038 ?        ?        0.000000       23.05038 
1 1 1 3  4  28  o 307.7262 23.03069 6.627057       0.9715132     6.627057       0.9715132     0.000000       0.000000      307.7262 23.03069 ?        ?        0.000000       23.03069 
1 1 1 3  4  29  o 446.1311 23.66526 13.90178       1.452633      13.90178       1.452633      0.000000       0.000000      446.1311 23.66526 ?        ?        0.000000       23.66526 
1 1 1 3  4  30  o 342.3191 16.24586 8.125861       0.7679124     8.248230       1.084591      8.002859       1.087399      343.3848 23.00730 338.1351 23.43407 5.249664       32.84039 
1 1 1 3  4  31  o 172.6791 11.40663 2.072262       0.2704467     2.243995       0.3816571     1.899060       0.3832870     179.2399 15.57543 164.5578 17.11873 14.68202       23.14400 
1 1 1 3  4  32  o 220.4345 10.12685 3.361014       0.3082420     3.255952       0.3960435     3.522441       0.4909184     216.4106 13.31804 224.8052 15.91776 -8.394669      20.75441 
1 1 1 3  4  33  o 95.40382 10.53521 0.6373581      0.1364711     0.7372042      0.1759393     0.4865445      0.2162307     102.3979 12.71706 82.02733 19.39576 20.37059       23.19309 
1 1 1 3  4  34  o 218.1613 10.14999 3.292708       0.3057604     3.127087       0.3921836     3.549408       0.4882530     212.0162 13.46608 225.6369 15.77017 -13.62077      20.73725 
1 1 1 3  4  35  f 384.3574 10.51486 10.22313       0.5580547     10.01006       0.7164851     10.55176       0.8897907     380.0294 13.65375 389.8233 16.53035 -9.793915      21.44009 
1 1 1 3  4  36  f 258.0931 10.22347 4.609600       0.3643450     4.773643       0.4702759     4.363295       0.5762480     262.4605 12.97630 250.0620 16.78609 12.39850       21.21691 
1 1 1 3  4  37  o 358.6606 10.39345 8.903924       0.5147324     9.306620       0.6670964     8.311404       0.8091919     366.3976 13.18554 345.7928 16.94718 20.60477       21.47244 
1 1 1 3  4  38  o 254.8213 10.17867 4.494942       0.3581499     4.637145       0.4631794     4.283490       0.5648066     258.2793 13.02940 247.6686 16.61168 10.61069       21.11192 
1 1 1 3  4  39  o 102.9283 10.67127 0.7415605      0.1494624     0.7916282      0.1928738     0.6662998      0.2364707     105.9727 13.48636 96.20731 18.47202 9.765350       22.87132 
1 1 1 3  4  40  o 84.35670 10.01302 0.4996788      0.1143558     0.5513576      0.1616446     0.4478989      0.1618026     88.08096 13.73883 78.92632 15.39945 9.154633       20.63731 
1 1 1 3  4  41  f 328.5877 8.147140 7.470850       0.3696532     7.631755       0.5250348     7.312694       0.5205315     331.7492 11.46147 324.7221 11.60906 7.027100       16.31366 
1 1 1 3  4  42  o 232.5727 8.030435 3.743140       0.2578908     3.707414       0.3655998     3.778521       0.3638319     231.1825 11.45283 233.4046 11.28894 -2.222092      16.08128 
1 1 1 3  4  43  o 106.2010 8.806277 0.7864259      0.1279744     0.8473879      0.1952462     0.7405089      0.1694491     109.6384 13.15973 102.5486 12.20643 7.089798       17.94925 
1 1 1 3  4  44  o 137.0292 8.694107 1.305752       0.1636518     1.284960       0.2498194     1.321382       0.2165970     135.2328 13.56117 137.4812 11.51569 -2.248444      17.79091 
1 1 1 3  4  45  o 222.9343 8.567711 3.442908       0.2637423     3.585851       0.4043717     3.337081       0.3479341     226.6608 12.97399 218.8810 11.55293 7.779846       17.37224 
1 1 1 3  4  46  o 249.4610 8.598907 4.312222       0.2961992     4.172884       0.4521846     4.416943       0.3920085     244.3929 13.45131 252.1434 11.25926 -7.750534      17.54163 
1 1 1 3  4  47  o 162.8914 8.687552 1.844583       0.1946984     1.770226       0.2970935     1.900558       0.2577657     158.7495 13.68700 164.9511 11.38674 -6.201599      17.80426 
1 1 1 3  4  48  o 303.3387 8.664013 6.381115       0.3628983     6.559716       0.5564783     6.248957       0.4786920     306.6700 13.14132 299.6605 11.56881 7.009521       17.50804 
1 1 1 3  4  49  o 69.68938 9.691834 0.3437110      0.9073860E-01 0.3496227      0.1371104     0.3391043      0.1210352     69.39238 14.76307 68.56042 13.26459 0.8319550      19.84686 
1 1 1 3  4  50  o 167.9157 9.363100 1.964628       0.2162305     1.939481       0.3045000     1.990207       0.3071088     166.0434 13.39489 168.2294 13.32977 -2.186005      18.89724 
1 1 1 3  4  51  o 192.4659 11.48949 2.591475       0.3039531     2.419653       0.5977824     2.651387       0.3529902     181.8228 24.42779 194.2738 13.23751 -12.45107      27.78396 
1 1 1 3  4  52  o 157.9592 11.54190 1.749802       0.2500019     1.694119       0.4936979     1.769004       0.2899222     151.4600 24.43800 158.4103 13.37957 -6.950348      27.86088 
1 1 1 3  4  53  o 188.7247 10.19948 2.487537       0.2648070     2.422770       0.3423587     2.583991       0.4177932     185.4573 13.46073 190.7924 16.00642 -5.335144      20.91403 
1 1 1 3  4  54  o 64.65072 10.41198 0.2984597      0.8979264E-01 0.3157513      0.1259147     0.2805669      0.1280850     65.81523 14.26670 61.92268 15.11278 3.892548       20.78304 
1 1 1 3  4  55  o 148.1710 9.496584 1.534288       0.1932753     1.538598       0.3337002     1.532112       0.2370912     146.5367 16.79520 147.6003 11.72969 -1.063553      20.48571 
1 1 1 3  4  56  o 133.1369 9.611603 1.240617       0.1755104     1.246520       0.2482550     1.234718       0.2481633     132.5209 13.76770 131.8694 13.83485 0.6514893      19.51801 
1 1 1 3  4  57  o 106.8758 9.067523 0.8002551      0.1325529     0.8040484      0.1746125     0.7950962      0.2036320     106.5362 12.08344 105.3880 14.36761 1.148132       18.77332 
1 1 1 3  4  58  o 129.9216 8.326367 1.177531       0.1485878     1.157101       0.2103970     1.197859       0.2098737     128.0659 12.03916 130.3777 11.78521 -2.311768      16.84732 
1 1 1 3  4  59  o 171.8356 8.138816 2.050719       0.1931134     2.005101       0.2731590     2.096301       0.2730482     168.9737 11.78106 172.8580 11.50535 -3.884323      16.46713 
1 1 1 3  4  60  o 72.59029 9.193670 0.3722123      0.9008663E-01 0.3280711      0.1282670     0.4151821      0.1265538     67.10638 14.28097 76.07548 12.48028 -8.969093      18.96585 
1 1 1 3  4  61  o 114.4139 8.425453 0.9141544      0.1321733     0.9418407      0.1878204     0.8869919      0.1860349     115.4946 11.95008 111.9868 12.22946 3.507713       17.09866 
1 1 1 3  4  62  o 55.28104 10.11822 0.2193299      0.7438944E-01 0.1706422      0.1063657     0.2659447      0.1040767     48.97016 14.61694 60.53357 12.84886 -11.56342      19.46146 
1 1 1 3  4  63  f 110.8405 8.565975 0.8582688      0.1300857     0.7869221      0.1840403     0.9295049      0.1838976     105.2916 12.93021 114.8064 11.76659 -9.514862      17.48265 
1 1 1 3  4  64  o 91.22206 8.841724 0.5834134      0.1099735     0.6358137      0.1563392     0.5320895      0.1547255     94.64240 12.25060 86.19252 13.43858 8.449883       18.18441 
1 1 1 3  4  65  o 75.92212 9.180473 0.4063293      0.9428845E-01 0.4209106      0.1339586     0.3920126      0.1327378     76.52107 13.15205 73.70476 13.54152 2.816315       18.87722 
1 1 1 3  4  66  o 59.50952 10.00254 0.2530020      0.7927714E-01 0.2814019      0.1131205     0.2255900      0.1111355     62.22171 13.55011 55.67321 14.36191 6.548492       19.74513 
1 1 1 3  4  67  o 166.9588 8.238986 1.934831       0.1899420     1.799601       0.2679713     2.071375       0.2692704     160.0601 12.21687 171.9655 11.40461 -11.90546      16.71278 
1 1 1 3  4  68  o 41.45779 10.54985 0.1243023      0.6054319E-01 0.9949967E-01  0.8610395E-01 0.1485562      0.8514608E-01 39.17152 13.31813 45.50957 12.93759 -6.338051      18.56755 
1 1 1 3  4  69  o 83.48669 9.451106 0.4907675      0.1070335     0.5653270      0.1512632     0.4160006      0.1514736     89.05893 12.65645 75.66161 15.02834 13.39732       19.64782 
1 1 1 3  4  70  o 233.8756 8.209831 3.797741       0.2651289     3.675310       0.3736345     3.921911       0.3762774     229.0828 11.85238 237.0291 11.49658 -7.946289      16.51213 
1 1 1 3  4  71  o 200.7099 8.255427 2.797908       0.2287949     2.777504       0.3226613     2.818542       0.3244760     199.0266 11.79338 200.5018 11.77159 -1.475204      16.66296 
1 1 1 3  4  72  o 90.57609 10.78104 0.5802841      0.1321890     0.6097171      0.1835293     0.5485542      0.1905557     91.91808 14.97560 86.70470 16.51945 5.213379       22.29711 
1 1 1 3  4  73  o 186.7946 10.67037 2.443125       0.2740794     2.164590       0.4302132     2.633400       0.3555783     173.4424 18.23661 193.1901 13.41256 -19.74767      22.63782 
1 1 1 3  4  74  o 126.8532 10.04757 1.129088       0.1745551     1.041045       0.2496082     1.213354       0.2441971     120.4721 15.35400 130.6522 13.74183 -10.18012      20.60542 
1 1 1 3  4  75  o 97.34013 10.39950 0.6689807      0.1376158     0.6675955      0.1722650     0.6714237      0.2287819     96.57948 13.26788 95.54964 18.00056 1.029839       22.36195 
1 1 1 3  4  76  o 92.62957 11.82614 0.6109958      0.1478103     0.6487608      0.2315998     0.5850421      0.1919965     93.63818 18.56800 89.48768 16.13131 4.150505       24.59654 
1 1 1 3  4  77  o 113.7955 10.34938 0.9125857      0.1608437     0.8130165      0.2705626     0.9670064      0.2000266     104.7161 19.42713 116.6053 12.62474 -11.88912      23.16889 
1 1 1 3  4  78  o 55.21660 12.09142 0.2223480      0.8963662E-01 0.3242363      0.1146020     0.6179488E-01  0.1438598     66.77640 12.89577 41.20652 16.55043 25.56988       20.98137 
1 1 1 3  4  79  o 65.80388 11.64366 0.3126587      0.1019271     0.3338786      0.1305883     0.2795777      0.1630502     67.43470 14.45844 61.70387 18.01460 5.730827       23.09918 
1 1 1 3  4  80  o 98.05308 9.372292 0.6771911      0.1253495     0.7274331      0.1760273     0.6255037      0.1785414     100.7936 12.94694 92.95599 14.37366 7.837601       19.34491 
1 1 1 3  4  81  o 248.3752 8.345746 4.297921       0.2862275     4.180564       0.4031391     4.417218       0.4064548     243.7994 11.97524 250.6940 11.74168 -6.894577      16.77121 
1 1 1 3  4  82  o 71.71792 10.27245 0.3670663      0.9882224E-01 0.3438561      0.1391202     0.3907055      0.1404001     68.27032 15.15323 73.03061 14.43443 -4.760284      20.92781 
1 1 1 3  4  83  o 92.04322 9.947298 0.5993562      0.1244151     0.6999974      0.1757286     0.4982073      0.1761711     98.71655 13.22419 82.21888 16.09374 16.49767       20.82997 
1 1 1 3  4  84  o 129.3662 8.983484 1.173752       0.1594787     1.303212       0.2254034     1.043985       0.2256706     135.4953 12.17760 120.6718 13.79121 14.82345       18.39813 
1 1 1 3  4  85  o 119.7429 9.237379 1.007524       0.1515540     0.8221893      0.2129788     1.197636       0.2157066     106.5534 14.88155 129.8282 12.17471 -23.27476      19.22717 
1 1 1 3  4  86  o 49.54296 13.15773 0.1797557      0.9152942E-01 0.2451876      0.1282777     0.1118930      0.1306389     57.63375 15.69514 43.97093 16.25452 13.66283       22.59529 
1 1 1 3  4  87  o 171.0761 8.748053 2.048110       0.2059605     2.199725       0.2913949     1.896750       0.2911494     176.2747 12.04374 163.2810 13.02174 12.99379       17.73746 
1 1 1 3  4  88  o 48.39629 13.03445 0.1713509      0.8905172E-01 0.1843745      0.1244317     0.1576770      0.1275007     50.83421 15.93499 48.16407 16.20728 2.670135       22.72883 
1 1 1 3  4  89  o 114.8288 9.781375 0.9297758      0.1536136     0.7573932      0.2153824     1.108244       0.2191515     101.7775 15.84096 124.5269 12.93378 -22.74943      20.45040 
1 1 1 3  4  90  o 144.4508 9.206078 1.465256       0.1826688     1.365917       0.2572269     1.566323       0.2594529     138.0479 13.67411 148.2358 12.80115 -10.18794      18.73101 
1 1 1 3  4  91  o 117.9810 9.678944 0.9819081      0.1562916     0.8708310      0.2205542     1.093948       0.2215082     109.4224 14.99143 123.4961 13.19388 -14.07368      19.97051 
1 1 1 3  4  92  o 100.1940 10.21200 0.7124608      0.1393082     0.6441194      0.1970520     0.7807462      0.1969713     93.45654 15.83523 103.7177 14.12049 -10.26117      21.21657 
1 1 1 3  4  93  o 100.4262 12.20805 0.7252339      0.1658081     0.8167537      0.2318165     0.6293700      0.2372542     105.0414 16.52865 90.80149 19.50448 14.23994       25.56601 
1 1 1 3  4  94  o 87.28854 16.31083 0.5700415      0.1893656     0.7556303      0.2867059     0.4264300      0.2522059     98.34486 21.69508 74.03746 22.60058 24.30740       31.32831 
1 1 1 3  4  95  o 77.57771 13.86006 0.4453076      0.1430222     0.3233151      0.2145049     0.5429483      0.1919048     65.18746 20.97943 84.60463 17.01649 -19.41717      27.01292 
1 1 1 3  4  96  o 90.30442 12.18372 0.5938312      0.1480460     0.4955267      0.1963414     0.7233745      0.2253887     79.97662 18.18981 97.46373 17.38516 -17.48711      25.16174 
1 1 1 3  4  97  o 52.41275 16.69032 0.2049959      0.1360369     0.2290044      0.2048211     0.1860456      0.1819701     56.76042 20.44991 52.47514 19.21886 4.285278       28.06356 
1 1 1 3  4  98  o 140.4855 12.38253 1.440289       0.2377468     1.679971       0.3621821     1.258811       0.3151520     147.4727 18.17029 127.2248 18.48001 20.24789       25.91660 
1 1 1 3  4  99  o 83.36205 13.39764 0.5210660      0.1489943     0.5250869      0.1922293     0.5150156      0.2358045     81.51472 17.59409 78.70576 21.21568 2.808960       27.56188 
1 1 1 3  4  100 o 40.45483 14.63765 0.1085581      0.1050969     0.2157943      0.1474555     -0.2162207E-02 0.1498318     52.97908 17.41826 36.23424 15.82701 16.74485       23.53487 
1 1 1 3  4  101 o 54.34240 14.70981 0.2300126      0.1130779     0.2049784      0.1591510     0.2555341      0.1606927     52.05058 18.09092 56.71201 18.14841 -4.661427      25.62510 
1 1 1 3  4  102 o 49.43003 14.94718 0.1890500      0.1106955     0.2220518      0.1566955     0.1561730      0.1563990     53.37014 17.96723 47.59843 17.74735 5.771702       25.25450 
1 1 1 3  4  103 o 48.27977 14.82292 0.1800090      0.1083046     0.2066490      0.1533956     0.1535280      0.1529370     51.76193 17.77380 47.09566 17.55181 4.666267       24.97947 
1 1 1 3  4  104 o 48.44270 14.81751 0.1818804      0.1083410     0.2295349      0.1537943     0.1349344      0.1526466     53.81004 17.79341 45.48211 17.40397 8.327934       24.88983 
1 1 1 3  4  105 o 47.82134 14.91207 0.1766957      0.1091298     0.4052423E-01  0.1546944     0.3116012      0.1539737     38.89619 16.52263 61.82800 17.33560 -22.93181      23.94828 
1 1 1 3  4  106 o 73.94513 13.11516 0.4171527      0.1290089     0.4358749      0.1825839     0.3984868      0.1823088     72.69286 18.22431 69.22500 18.65223 3.467865       26.07741 
1 1 1 3  4  107 o 77.05777 12.81954 0.4503126      0.1316116     0.4203707      0.1856673     0.4805529      0.1865900     71.12962 18.66815 76.61069 17.95211 -5.481071      25.89939 
1 1 1 3  4  108 o 40.79012 14.46973 0.1165736      0.1021672     0.3370225      0.1437819     -0.1082491     0.1452012     64.80134 16.13170 30.13232 14.08114 34.66901       21.41285 
1 1 1 3  4  109 o 44.46251 14.98178 0.1481722      0.1089495     0.9369019E-01  0.1528445     0.2044489      0.1553415     42.17048 17.01644 51.28858 17.87043 -9.118103      24.67613 
1 1 1 3  4  110 o 40.44510 14.42793 0.1158216      0.1017138     -0.5278749E-02 0.1435367     0.2379679      0.1441553     34.75118 15.32522 54.08036 17.17687 -19.32919      23.01971 
1 1 1 3  4  111 o 57.55495 14.37710 0.2655583      0.1139256     0.2673191      0.1606320     0.2637761      0.1616026     56.29850 18.15857 55.95551 18.22686 0.3429909      25.72843 
1 1 1 3  4  112 o 35.82543 14.54484 0.6521865E-01  0.1124070     0.1472256      0.1530789     -0.3074370E-01 0.1655925     45.03000 17.37822 35.01864 15.87127 10.01136       23.53508 
1 1 1 3  4  113 o 43.60814 17.44531 0.1346059      0.1591416     0.3073480      0.2249183     -0.3857289E-01 0.2252025     56.64684 21.25093 38.93100 17.96515 17.71584       27.82712 
1 1 1 3  4  114 o 52.72815 18.85243 0.2640678      0.1737567     0.3854438      0.2443579     0.1399287      0.2471234     59.53233 22.18615 46.09179 20.22425 13.44054       30.02075 
1 1 1 3  4  115 o 46.41002 18.94396 0.1994059      0.1919720     0.3458669      0.2404399     -0.5813495E-01 0.3188369     54.80725 21.59682 40.84863 19.59589 13.95861       29.16199 
1 1 1 3  4  116 o 26.43148 13.13243 -0.2906604     0.1854380     0.000000       0.000000      -0.2906604     0.1854380     ?        ?        26.43148 13.13243 0.000000       13.13243 
1 1 1 3  4  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  0   o 474.3341 23.69374 15.70612       1.543039      0.000000       0.000000      15.70612       1.543039      474.3341 23.69374 474.3341 23.69374 0.000000       0.000000 
1 1 1 3  5  1   o 496.8364 16.71602 17.10485       1.146791      17.38867       1.631457      16.82765       1.612326      500.0334 23.62864 491.8842 23.73844 8.149231       33.49367 
1 1 1 3  5  2   o 291.5704 13.10149 5.882614       0.5274753     5.899790       0.6484948     5.849035       0.9067401     291.3788 16.18167 289.1860 22.89457 2.192749       28.03582 
1 1 1 3  5  3   o 304.5993 16.05946 6.445092       0.6730703     6.492452       0.9513246     6.397625       0.9524065     304.7863 22.76894 302.5066 22.97236 2.279663       32.34430 
1 1 1 3  5  4   o 179.1126 15.91098 2.239689       0.3894173     2.164789       0.5484111     2.315863       0.5530568     174.9445 23.28018 181.1642 22.60004 -6.219696      32.44578 
1 1 1 3  5  5   o 358.5977 16.09741 8.908633       0.7970793     9.200254       1.128618      8.618432       1.125868      363.1269 22.62106 351.2900 23.34332 11.83685       32.50573 
1 1 1 3  5  6   o 186.7390 13.12084 2.424901       0.3361774     2.736635       0.5790194     2.266382       0.4128978     197.3239 21.60379 180.0684 16.80009 17.25551       27.36726 
1 1 1 3  5  7   o 717.2870 12.78131 35.59946       1.265920      36.27196       1.801307      34.94317       1.779455      723.2479 18.03693 709.8564 18.15426 13.39142       25.59117 
1 1 1 3  5  8   o 687.8314 12.62689 32.73441       1.199269      32.06792       1.681884      33.42377       1.710523      680.0555 17.91074 694.2947 17.84215 -14.23920      25.28116 
1 1 1 3  5  9   o 179.0942 11.23646 2.226970       0.2764670     2.236356       0.3899758     2.217485       0.3919987     178.9654 15.94798 178.1819 16.10659 0.7834167      22.66628 
1 1 1 3  5  10  o 357.8695 16.14230 8.873755       0.7976786     8.873755       0.7976786     0.000000       0.000000      357.8695 16.14230 ?        ?        0.000000       16.14230 
1 1 1 3  5  11  f 475.3307 16.64188 15.65902       1.092286      15.65902       1.092286      0.000000       0.000000      475.3307 16.64188 ?        ?        0.000000       16.64188 
1 1 1 3  5  12  o 381.8762 16.28606 10.10577       0.8587695     10.10577       0.8587695     0.000000       0.000000      381.8762 16.28606 ?        ?        0.000000       16.28606 
1 1 1 3  5  13  o 466.0255 16.65017 15.05366       1.071436      15.05366       1.071436      0.000000       0.000000      466.0255 16.65017 ?        ?        0.000000       16.65017 
1 1 1 3  5  14  o 458.0822 16.68829 14.54612       1.055585      14.54612       1.055585      0.000000       0.000000      458.0822 16.68829 ?        ?        0.000000       16.68829 
1 1 1 3  5  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  17  o 66.14507 20.73339 0.3007318      0.2106562     0.000000       0.000000      0.3007318      0.2106562     ?        ?        66.14507 20.73339 0.000000       20.73339 
1 1 1 3  5  18  o 248.1426 22.82729 4.321075       0.7733866     0.000000       0.000000      4.321075       0.7733866     ?        ?        248.1426 22.82729 0.000000       22.82729 
1 1 1 3  5  19  o 441.6544 16.52101 13.52598       1.007528      13.23004       1.416379      13.82913       1.433494      435.1753 23.65986 445.0007 23.41139 -9.825409      33.28487 
1 1 1 3  5  20  o 300.9023 13.10244 6.268837       0.5443969     6.307579       0.6674244     6.191826       0.9410166     301.1891 16.10651 297.2917 23.10476 3.897369       28.16469 
1 1 1 3  5  21  o 265.3938 13.02999 4.876821       0.4774994     4.900546       0.5856543     4.829776       0.8246944     265.3619 16.05887 262.3389 22.99845 3.022980       28.05024 
1 1 1 3  5  22  o 402.1912 11.61220 11.19425       0.6448889     11.34672       0.9149233     11.04371       0.9091256     404.4505 16.38254 399.0000 16.50110 5.450500       23.25240 
1 1 1 3  5  23  o 371.4395 11.56717 9.548365       0.5932712     9.769123       0.8436216     9.332362       0.8344775     375.2668 16.28057 366.7609 16.47759 8.505890       23.16393 
1 1 1 3  5  24  o 258.1001 11.30420 4.610133       0.4028710     4.568913       0.5710806     4.650970       0.5684198     256.1154 16.23211 258.4448 16.00686 -2.329376      22.79695 
1 1 1 3  5  25  o 403.2791 11.63332 11.25778       0.6478093     11.26518       0.9185715     11.25047       0.9137289     402.8790 16.51203 402.6257 16.43531 0.2532959      23.29735 
1 1 1 3  5  26  f 505.6271 11.98860 17.70192       0.8370222     17.47214       1.181092      17.93375       1.186382      501.5969 17.05262 508.2050 16.90626 -6.608093      24.01278 
1 1 1 3  5  27  o 578.0468 12.24121 23.14150       0.9770694     23.03038       1.380088      23.25317       1.383488      575.7495 17.35942 578.5361 17.31837 -2.786621      24.52091 
1 1 1 3  5  28  o 402.9175 11.64273 11.24138       0.6477523     11.13593       0.9143450     11.34762       0.9177850     400.4245 16.53680 404.2263 16.44290 -3.801727      23.32026 
1 1 1 3  5  29  o 102.8558 11.79447 0.7422473      0.1644839     0.7803092      0.2327044     0.7042437      0.2325266     104.7120 16.65177 99.19381 17.62216 5.518219       24.24504 
1 1 1 3  5  30  o 173.8117 11.39577 2.101231       0.2719882     2.004753       0.3838094     2.198559       0.3854950     169.0323 16.66067 177.2034 15.92469 -8.171143      23.04720 
1 1 1 3  5  31  o 556.7253 12.18436 21.48069       0.9366591     21.90075       1.330536      21.06799       1.318814      561.0886 17.17344 550.2732 17.35670 10.81537       24.41684 
1 1 1 3  5  32  o 140.2849 11.47832 1.372669       0.2203980     1.345499       0.3116490     1.399854       0.3117307     138.0926 16.68204 140.9553 16.31797 -2.862747      23.33596 
1 1 1 3  5  33  o 270.2558 13.20903 5.068874       0.4929284     4.620649       0.5992973     6.006299       0.8666878     257.0511 16.98003 292.1505 21.63800 -35.09943      27.50499 
1 1 1 3  5  34  o 231.3559 13.17603 3.727845       0.4191818     3.901814       0.5150375     3.386490       0.7214527     236.2554 15.87996 218.1340 24.36870 18.12134       29.08619 
1 1 1 3  5  35  o 67.98398 14.68503 0.3337344      0.1338246     0.3182000      0.1639933     0.3646986      0.2315303     66.36644 17.60576 71.76522 21.59832 -5.398781      27.86486 
1 1 1 3  5  36  o 127.4391 13.48700 1.141214       0.2337254     1.038558       0.2854590     1.350000       0.4071012     120.7271 17.64473 136.9081 22.30235 -16.18103      28.43820 
1 1 1 3  5  37  o 117.5178 11.76096 0.9682260      0.1882843     1.102507       0.2679817     0.8373141      0.2645990     124.7532 15.91955 107.9424 18.41306 16.81075       24.34076 
1 1 1 3  5  38  o 158.0562 10.35931 1.739994       0.2248387     1.811022       0.2900998     1.633147       0.3558065     160.8384 13.17799 151.8961 17.27111 8.942307       21.72443 
1 1 1 3  5  39  o 82.75789 10.82421 0.4833414      0.1207283     0.4557187      0.1551582     0.5257269      0.1921990     79.63235 14.65050 85.25742 16.92313 -5.625069      22.38369 
1 1 1 3  5  40  o 182.9628 10.30961 2.330336       0.2594000     2.265468       0.3330597     2.430354       0.4135685     179.8574 13.50953 185.7467 16.28909 -5.889313      21.16227 
1 1 1 3  5  41  o 132.6290 10.53968 1.229057       0.1914292     1.295262       0.2464165     1.128290       0.3040088     135.7102 13.32152 125.5599 18.05389 10.15028       22.43671 
1 1 1 3  5  42  o 156.7646 10.30885 1.714207       0.2219051     1.728232       0.2855013     1.692804       0.3526806     156.8791 13.30510 154.4798 16.80486 2.399292       21.43429 
1 1 1 3  5  43  o 303.5095 10.36266 6.401911       0.4342919     6.405572       0.5589184     6.396331       0.6899288     302.9391 13.36150 301.3856 16.64294 1.553467       21.34285 
1 1 1 3  5  44  o 262.3547 10.29300 4.785639       0.3728797     4.959980       0.4814270     4.524240       0.5894985     266.5167 13.08181 253.0352 16.97017 13.48148       21.42710 
1 1 1 3  5  45  o 172.7083 10.33482 2.082180       0.2453323     2.128506       0.3156289     2.011470       0.3899399     174.0237 13.23418 168.1650 17.02755 5.858688       21.56574 
1 1 1 3  5  46  o 192.5303 11.61718 2.594020       0.3073964     2.340168       0.4316119     2.855328       0.4379048     181.2820 17.45838 200.8853 15.91709 -19.60329      23.62517 
1 1 1 3  5  47  o 93.85358 12.35873 0.6256835      0.1562681     0.6045620      0.2227338     0.6461586      0.2192992     90.83407 18.38908 94.19573 17.50475 -3.361664      25.38847 
1 1 1 3  5  48  o 374.8013 13.49100 9.845640       0.6982053     9.605991       0.8522520     10.33477       1.217573      368.7297 16.73871 377.7080 23.46139 -8.978241      28.82050 
1 1 1 3  5  49  o 162.5843 13.31005 1.864765       0.2961918     1.777418       0.3630235     2.038698       0.5122743     157.6646 16.94055 166.7807 22.84475 -9.116043      28.44055 
1 1 1 3  5  50  o 212.9481 11.58143 3.177519       0.3392642     2.203132       0.6649182     3.520476       0.3944771     170.2910 29.33618 223.8161 12.81748 -53.52504      32.01405 
1 1 1 3  5  51  o 157.9208 11.68392 1.752826       0.2529718     1.692724       0.5041057     1.773056       0.2924630     150.5430 25.13701 158.3695 13.50299 -7.826569      28.53419 
1 1 1 3  5  52  o 273.3157 9.418353 5.200275       0.3554492     4.818472       0.4991912     5.592946       0.5062453     261.4876 13.87505 282.4029 12.98236 -20.91528      19.00155 
1 1 1 3  5  53  o 160.7619 9.453921 1.805185       0.2089380     1.779272       0.2932551     1.831900       0.2977622     158.6489 13.51546 160.9924 13.51967 -2.343536      19.11672 
1 1 1 3  5  54  o 196.4819 8.650234 2.683445       0.2346867     2.699083       0.3571121     2.671557       0.3113652     195.7283 13.29213 195.1888 11.60481 0.5395355      17.64518 
1 1 1 3  5  55  o 125.9128 8.831085 1.107454       0.1525685     1.168584       0.2314458     1.060478       0.2028919     128.4553 13.23813 122.5577 12.14916 5.897537       17.96803 
1 1 1 3  5  56  o 239.9187 8.680792 4.000209       0.2875818     3.999265       0.4388323     4.000920       0.3807321     238.4637 13.38125 239.3457 11.52009 -0.8820496     17.65702 
1 1 1 3  5  57  o 280.7111 8.708933 5.475665       0.3375690     5.714503       0.5174024     5.298651       0.4454305     285.6012 13.11990 275.4193 11.71245 10.18192       17.58730 
1 1 1 3  5  58  o 74.19266 10.02917 0.3899910      0.1001125     0.4073089      0.1503207     0.3761870      0.1342065     74.82487 15.07020 72.05064 13.99397 2.774223       20.56556 
1 1 1 3  5  59  o 244.0641 8.158796 4.134759       0.2749590     4.234274       0.3899199     4.036327       0.3877903     246.3414 11.46305 240.4662 11.67898 5.875122       16.36460 
1 1 1 3  5  60  o 240.1476 8.155143 4.002676       0.2704256     4.099546       0.3832638     3.906636       0.3816206     242.4189 11.44968 236.5968 11.68113 5.822144       16.35678 
1 1 1 3  5  61  o 60.55610 9.812876 0.2614785      0.7924477E-01 0.3103625      0.1126171     0.2135347      0.1115289     65.51424 12.90800 54.23854 14.57816 11.27571       19.47150 
1 1 1 3  5  62  o 127.9021 8.474484 1.140696       0.1488200     1.177252       0.2106523     1.104272       0.2102748     129.3306 11.93028 125.1417 12.32893 4.188835       17.15616 
1 1 1 3  5  63  o 149.4747 8.324838 1.555688       0.1711412     1.572677       0.2418254     1.538641       0.2422356     149.6618 11.79747 147.9903 11.95615 1.671448       16.79672 
1 1 1 3  5  64  o 96.51298 8.959888 0.6526263      0.1180438     0.6446694      0.1666956     0.6606299      0.1671836     95.14767 13.03021 96.37053 12.88622 -1.222862      18.32597 
1 1 1 3  5  65  o 198.5497 8.248477 2.736619       0.2261418     2.788615       0.3207064     2.685198       0.3189268     199.5503 11.69005 195.7632 11.85425 3.787125       16.64874 
1 1 1 3  5  66  o 124.7439 8.583715 1.085914       0.1469540     1.057697       0.2078626     1.114109       0.2077860     122.3789 12.47520 125.7095 12.12063 -3.330605      17.39368 
1 1 1 3  5  67  o 80.89566 9.178942 0.4607907      0.1007161     0.4983631      0.1425820     0.4233739      0.1422866     83.45926 12.77921 76.52873 13.98001 6.930527       18.94067 
1 1 1 3  5  68  o 55.42203 10.83099 0.2215325      0.7991582E-01 0.1916430      0.1038836     0.2648650      0.1250817     51.42438 14.17410 60.16525 15.08424 -8.740868      20.69877 
1 1 1 3  5  69  o 144.7139 9.833839 1.465534       0.1953380     1.530343       0.2746180     1.399163       0.2779108     146.9922 13.68731 140.2596 14.56166 6.732513       19.98460 
1 1 1 3  5  70  o 51.96120 12.55368 0.1967391      0.8906412E-01 0.1991004      0.1523683     0.1955135      0.1097700     53.85392 17.70605 51.96136 14.66117 1.892559       22.98813 
1 1 1 3  5  71  o 85.29516 11.77523 0.5186426      0.1349875     0.5733461      0.1844459     0.4555494      0.1980854     88.80627 15.61119 78.34119 18.59087 10.46508       24.27612 
1 1 1 3  5  72  f 62.45171 11.93389 0.2822194      0.9915961E-01 0.2890354      0.1328155     0.2736353      0.1490502     62.68035 15.44534 61.08164 17.03144 1.598705       22.99193 
1 1 1 3  5  73  o 223.8067 10.49017 3.502027       0.3241856     3.509250       0.5106385     3.497151       0.4195901     221.2924 16.83759 222.2639 13.73893 -0.9715881     21.73160 
1 1 1 3  5  74  o 115.5587 11.55830 0.9455893      0.1819578     0.9087555      0.2782960     0.9730930      0.2404804     111.0467 18.82168 116.1637 15.36985 -5.116982      24.29996 
1 1 1 3  5  75  o 88.98220 10.42058 0.5612128      0.1256116     0.5114931      0.1632763     0.6333111      0.1966169     83.84511 14.63531 93.16221 15.85198 -9.317101      21.57493 
1 1 1 3  5  76  o 135.5456 8.778825 1.286029       0.1634256     1.303933       0.2304596     1.267919       0.2317834     135.5668 12.45041 133.5885 12.71893 1.978363       17.79843 
1 1 1 3  5  77  o 108.0376 9.328043 0.8207234      0.1377918     0.7736436      0.1949581     0.8677152      0.1947761     103.7011 13.97060 110.1868 13.05562 -6.485779      19.12137 
1 1 1 3  5  78  o 68.79047 10.64932 0.3389686      0.9788655E-01 0.3888922      0.1409214     0.2924227      0.1360709     72.85326 14.51814 62.87107 15.71652 9.982197       21.39592 
1 1 1 3  5  79  o 28.02175 10.99713 0.3267233E-01  0.6210555E-01 0.1493171      0.9004031E-01 -0.7318503E-01 0.8577582E-01 45.55803 13.41166 23.64300 10.97234 21.91503       17.32815 
1 1 1 3  5  80  o 62.63218 11.41541 0.2837685      0.9508747E-01 0.2541278      0.1368944     0.3114018      0.1321776     58.71730 16.30444 64.93237 15.03789 -6.215073      22.18046 
1 1 1 3  5  81  o 191.1166 8.573097 2.547323       0.2262425     2.587024       0.3221253     2.508675       0.3178285     191.2321 12.26370 188.2924 12.29168 2.939713       17.36329 
1 1 1 3  5  82  o 155.4315 8.816699 1.691346       0.1884478     1.611806       0.2683632     1.768721       0.2646857     150.4862 13.04383 157.9678 12.22986 -7.481628      17.88046 
1 1 1 3  5  83  o 186.0316 8.641449 2.414695       0.2219786     2.531694       0.3174651     2.302772       0.3105012     189.1277 12.22171 180.2155 12.55611 8.912262       17.52216 
1 1 1 3  5  84  o 69.43877 10.91224 0.3463309      0.1011785     0.3303231      0.1465938     0.3608940      0.1398222     66.65667 16.10658 69.93982 14.93240 -3.283150      21.96358 
1 1 1 3  5  85  o 101.3272 10.04114 0.7259825      0.1386410     0.7300766      0.1994026     0.7221513      0.1928952     100.2569 14.85322 99.84286 14.40858 0.4140015      20.69360 
1 1 1 3  5  86  o 125.3735 9.559156 1.106077       0.1642396     1.091763       0.2347441     1.119802       0.2298723     123.2306 14.04652 124.9941 13.53481 -1.763542      19.50630 
1 1 1 3  5  87  o 210.1917 8.765746 3.086316       0.2544149     3.155719       0.3622616     3.018770       0.3573820     210.9339 12.49330 206.2395 12.60998 4.694427       17.75089 
1 1 1 3  5  88  o 193.6534 8.852731 2.621719       0.2367230     2.629135       0.3364485     2.614449       0.3331299     192.2635 12.74540 191.7642 12.65189 0.4992981      17.95872 
1 1 1 3  5  89  o 154.5403 9.182606 1.678110       0.1950693     1.638885       0.2775578     1.716395       0.2742120     151.2323 13.43120 154.9958 12.93038 -3.763535      18.64381 
1 1 1 3  5  90  o 60.91174 14.63152 0.2762509      0.1215218     0.2096311      0.1660528     0.3530750      0.1783175     54.72505 18.49557 68.23859 18.47235 -13.51355      26.14027 
1 1 1 3  5  91  o 95.37247 14.87891 0.6689726      0.1895481     0.5812288      0.3026845     0.7255810      0.2431214     85.40606 24.43255 97.82465 18.67982 -12.41859      30.75525 
1 1 1 3  5  92  o 82.87291 14.16586 0.5073131      0.1562802     0.3661363      0.2266933     0.6351773      0.2157405     68.90694 21.49330 91.47285 17.72059 -22.56592      27.85644 
1 1 1 3  5  93  o 64.13405 13.92675 0.3079971      0.1197987     0.3470627      0.1621718     0.2610722      0.1777380     67.18471 17.35752 59.04507 19.10690 8.139641       25.81390 
1 1 1 3  5  94  o 109.6757 12.57419 0.8765330      0.1869866     1.017213       0.2912323     0.7778669      0.2438975     114.6530 19.06520 100.4248 18.26118 14.22820       26.39986 
1 1 1 3  5  95  o 65.32378 15.76965 0.3288001      0.1406258     0.4081745      0.2283051     0.2802748      0.1785088     70.96733 21.46744 60.13151 19.11595 10.83582       28.74492 
1 1 1 3  5  96  o 121.4406 11.21104 1.070029       0.1858734     0.9596683      0.2378350     1.243210       0.2979329     112.3807 15.75995 126.8774 17.46897 -14.49666      23.52745 
1 1 1 3  5  97  o 39.11395 13.90404 0.1024995      0.9438202E-01 0.3401615E-01  0.1297217     0.1795279      0.1375770     36.39701 15.27712 49.31450 16.83434 -12.91750      22.73292 
1 1 1 3  5  98  o 86.69941 11.71270 0.5559424      0.1366311     0.5591446      0.1915048     0.5526223      0.1949936     84.00993 17.09031 83.24368 17.51861 0.7662582      24.47408 
1 1 1 3  5  99  o 90.93831 11.48422 0.6108864      0.1409918     0.6188875      0.1978073     0.6026237      0.2010165     88.45065 16.81036 86.89522 17.36058 1.555435       24.16563 
1 1 1 3  5  100 o 42.98036 14.88505 0.1329404      0.1076966     0.8594365E-01  0.1510325     0.1815564      0.1536123     41.77603 16.89491 49.59323 17.72655 -7.817200      24.48813 
1 1 1 3  5  101 o 33.78141 13.34815 0.5631701E-01  0.9208296E-01 0.9621882E-01  0.1304106     0.1664160E-01  0.1300401     40.87088 15.96510 34.91254 14.99692 5.958344       21.90416 
1 1 1 3  5  102 o 49.79798 14.25075 0.1931007      0.1029563     0.2631145      0.1449147     0.1217424      0.1462996     57.12325 17.06374 44.02744 16.98969 13.09582       24.07947 
1 1 1 3  5  103 o 35.69098 13.40064 0.7783182E-01  0.8947427E-01 0.2207366      0.1262472     -0.6638702E-01 0.1268263     52.81429 15.96089 29.70222 13.62388 23.11207       20.98476 
1 1 1 3  5  104 f 60.87677 14.45040 0.2904368      0.1196514     0.1587027      0.1674227     0.4279590      0.1710612     48.13499 18.27250 72.58537 17.31043 -24.45038      25.17013 
1 1 1 3  5  105 o 38.26217 14.32305 0.9226771E-01  0.1020665     0.1301702      0.1433833     0.5333232E-01  0.1453239     44.54796 16.91010 38.88364 16.23439 5.664326       23.44156 
1 1 1 3  5  106 o 18.64265 9.074765 -0.1254361     0.7484490E-01 -0.1519611     0.1045783     -0.9758414E-01 0.1071624     22.68965 10.96930 25.37000 11.93234 -2.680355      16.20821 
1 1 1 3  5  107 o 48.78159 15.08934 0.1863300      0.1119946     0.8349875E-01  0.1572352     0.2922232      0.1595589     41.73487 17.10253 59.47205 17.93688 -17.73717      24.78363 
1 1 1 3  5  108 o 54.33071 15.24325 0.2373876      0.1190088     0.2786660      0.1672108     0.1950120      0.1694186     57.67745 18.51868 50.43053 18.53296 7.246922       26.19946 
1 1 1 3  5  109 o 57.07090 14.92078 0.2644939      0.1189065     0.2573681      0.1663208     0.2719437      0.1700599     55.14943 18.51112 56.42334 18.71325 -1.273907      26.32199 
1 1 1 3  5  110 o 57.10894 17.03841 0.2809096      0.1445509     0.5835451      0.1999915     -0.5013789E-01 0.2091687     81.88267 18.16351 37.85938 17.41362 44.02329       25.16242 
1 1 1 3  5  111 o 83.72692 19.36838 0.6462904      0.2194698     0.8038924      0.3132928     0.4944218      0.3075414     85.47195 24.97618 65.78757 24.81510 19.68439       35.20794 
1 1 1 3  5  112 o 37.63425 16.10140 0.6853274E-01  0.1488261     0.3731687      0.2157066     -0.2082272     0.2056007     59.48607 21.03323 31.30263 15.19184 28.18344       25.94588 
1 1 1 3  5  113 o 27.32650 12.99287 -0.9803224E-01 0.1336973     -0.7845218E-01 0.1836666     -0.1201020     0.1949944     32.64283 15.43457 32.18028 15.40761 0.4625473      21.80872 
1 1 1 3  5  114 f 38.64632 18.06693 0.5279310E-01  0.2394163     0.000000       0.000000      0.5279310E-01  0.2394163     ?        ?        38.64632 18.06693 0.000000       18.06693 
1 1 1 3  5  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  0   o 503.5714 23.97264 17.72075       1.658311      0.000000       0.000000      17.72075       1.658311      503.5714 23.97264 503.5714 23.97264 0.000000       0.000000 
1 1 1 3  6  1   o 231.6654 13.15973 3.729401       0.4192284     4.268317       0.5208341     2.737774       0.7065009     247.6254 15.30739 196.0650 26.79765 51.56038       30.86147 
1 1 1 3  6  2   o 195.3871 13.05974 2.655972       0.3503157     2.777486       0.4312850     2.420335       0.6005809     199.4859 15.78615 184.7040 24.12446 14.78186       28.83040 
1 1 1 3  6  3   o 247.4901 13.13575 4.254622       0.4472938     4.212242       0.5490510     4.338254       0.7712910     245.8530 16.26522 248.4402 22.73530 -2.587204      27.95445 
1 1 1 3  6  4   o 364.7180 16.22633 9.230202       0.8171759     8.685790       1.143502      9.798400       1.168217      352.0359 23.66150 374.2076 22.71604 -22.17163      32.80069 
1 1 1 3  6  5   o 228.0088 15.93027 3.624248       0.4983966     3.627008       0.7009366     3.621424       0.7088077     226.9834 22.66697 226.7505 22.95447 0.2329254      32.25987 
1 1 1 3  6  6   o 318.8403 16.12407 7.071990       0.7075755     6.975388       0.9978957     7.169673       1.003453      315.4063 23.07285 319.8334 22.87235 -4.427094      32.48847 
1 1 1 3  6  7   o 221.5272 13.10364 3.411379       0.3990445     3.066042       0.6825478     3.590714       0.4918623     208.1861 24.19463 226.9552 15.79356 -18.76913      28.89319 
1 1 1 3  6  8   o 395.7097 13.40140 10.84954       0.7322593     10.96827       1.267090      10.79000       0.8972633     395.7848 23.28780 394.2628 16.48148 1.522034       28.52999 
1 1 1 3  6  9   o 391.4968 13.36318 10.62006       0.7223973     10.72437       1.253763      10.56821       0.8838603     391.3111 23.30925 390.1850 16.40496 1.126129       28.50340 
1 1 1 3  6  10  o 623.7036 14.30044 26.96983       1.231588      26.89128       2.130072      27.00928       1.509482      620.1827 24.87349 623.5062 17.53271 -3.323486      30.43167 
1 1 1 3  6  11  o 158.9198 11.27961 1.757016       0.2459120     1.623774       0.3463185     1.892518       0.3492443     152.0066 16.77935 164.4260 15.56765 -12.41942      22.88883 
1 1 1 3  6  12  o 237.5822 13.05108 3.922797       0.4265115     3.470538       0.7329741     4.154327       0.5244426     221.5309 24.36425 244.1748 15.63676 -22.64392      28.95039 
1 1 1 3  6  13  o 290.6262 11.30881 5.847508       0.4538264     5.950466       0.6420093     5.744682       0.6416059     292.3472 15.96432 287.1900 16.24595 5.157227       22.77697 
1 1 1 3  6  14  o 414.5298 11.62057 11.89890       0.6651524     12.04066       0.9414492     11.75761       0.9398877     416.3850 16.37434 411.4366 16.54379 4.948395       23.27695 
1 1 1 3  6  15  o 297.9081 11.33834 6.145071       0.4664122     6.167238       0.6594610     6.122884       0.6597519     297.5804 16.10894 296.4941 16.17599 1.086365       22.82894 
1 1 1 3  6  16  o 206.4651 13.02273 2.966218       0.3693651     2.930460       0.4525374     3.037582       0.6393092     204.7817 16.13457 207.3282 22.70240 -2.546494      27.85181 
1 1 1 3  6  17  o 225.9274 13.04635 3.550129       0.4052694     3.718242       0.4987541     3.223416       0.6952965     230.8555 15.74007 213.3115 24.02398 17.54405       28.72109 
1 1 1 3  6  18  o 265.6200 13.04895 4.891715       0.4786020     4.719075       0.5861653     5.236995       0.8289630     260.0677 16.40694 272.8826 22.19218 -12.81485      27.59856 
1 1 1 3  6  19  o 416.8390 13.46336 12.05232       0.7749253     11.80386       0.9479029     12.55296       1.345575      412.0109 16.66162 422.8878 23.13097 -10.87683      28.50704 
1 1 1 3  6  20  o 322.8613 13.16548 7.230308       0.5869358     7.313735       0.7206149     7.065886       1.011656      324.3479 16.08993 316.7936 23.29026 7.554291       28.30763 
1 1 1 3  6  21  o 316.5738 13.16399 6.953021       0.5754406     7.281325       0.7088698     6.318631       0.9853868     323.6061 15.86396 299.1742 24.05646 24.43192       28.81629 
1 1 1 3  6  22  o 270.2497 13.05834 5.067963       0.4872942     5.053279       0.5969290     5.097296       0.8436853     269.0285 16.14356 268.6852 22.96092 0.3432617      28.06810 
1 1 1 3  6  23  o 151.9323 13.14421 1.614087       0.2730380     1.495148       0.3338919     1.854160       0.4743681     145.5546 16.92899 161.2749 21.86528 -15.72032      27.65287 
1 1 1 3  6  24  o 145.1893 13.19033 1.475554       0.2615552     1.495018       0.3207599     1.436930       0.4518417     145.6461 16.22513 141.0686 24.05934 4.577499       29.01907 
1 1 1 3  6  25  o 257.0562 13.14465 4.601089       0.4650077     4.525198       0.5695261     4.752854       0.8053879     254.3422 16.30233 259.1317 22.73834 -4.789474      27.97853 
1 1 1 3  6  26  o 163.2060 13.16505 1.862414       0.2941613     1.875219       0.3613169     1.837242       0.5065866     163.2372 16.24573 159.8858 23.66037 3.351334       28.70082 
1 1 1 3  6  27  o 191.5185 11.36115 2.553817       0.2991066     2.731630       0.4256476     2.380358       0.4204023     197.3563 15.75047 183.9547 16.73368 13.40166       22.98028 
1 1 1 3  6  28  o 295.8076 11.42647 6.073383       0.4667231     6.012158       0.6605564     6.134417       0.6595371     293.0520 16.38971 296.0741 16.19384 -3.022064      23.04047 
1 1 1 3  6  29  o 176.7684 11.39661 2.178127       0.2766929     2.183367       0.3922198     2.172936       0.3903923     176.1082 16.31447 175.6914 16.27700 0.4168243      23.04567 
1 1 1 3  6  30  o 42.81630 12.59711 0.1294900      0.7945605E-01 0.1399281      0.1117443     0.1188155      0.1130019     45.88878 15.16673 43.70081 15.24087 2.187973       21.50149 
1 1 1 3  6  31  o 351.8762 11.56587 8.602474       0.5619608     8.674954       0.7966636     8.530690       0.7928156     352.2451 16.37917 349.2882 16.43805 2.956940       23.20532 
1 1 1 3  6  32  o 204.0661 11.42192 2.902559       0.3205535     2.707458       0.4521247     3.099756       0.4545472     195.9543 16.87414 210.0229 15.78934 -14.06863      23.10930 
1 1 1 3  6  33  f 104.3926 11.90290 0.7675971      0.1685098     0.7109457      0.2367272     0.8257885      0.2399228     99.18455 17.94549 107.3620 16.72895 -8.177467      24.53362 
1 1 1 3  6  34  o 295.6729 11.48698 6.080842       0.4689813     5.967113       0.6617106     6.195631       0.6647795     291.2982 16.51898 296.9184 16.27650 -5.620117      23.19054 
1 1 1 3  6  35  o 296.1823 11.49550 6.104716       0.4701377     6.141037       0.6647527     6.068369       0.6649975     295.4404 16.35869 293.6455 16.46699 1.794891       23.21139 
1 1 1 3  6  36  o 230.9668 11.40796 3.713861       0.3638274     3.764666       0.5147458     3.663141       0.5143138     231.0209 16.23951 227.8038 16.46125 3.217087       23.12346 
1 1 1 3  6  37  o 130.0231 11.68358 1.187334       0.2075264     1.225849       0.2938693     1.149019       0.2931055     131.0327 16.61518 126.6422 17.20682 4.390518       23.91943 
1 1 1 3  6  38  o 221.6888 11.49416 3.434071       0.3506434     3.574030       0.4974760     3.295889       0.4943085     224.8943 16.12682 215.7330 16.72441 9.161301       23.23317 
1 1 1 3  6  39  o 52.40826 17.00752 0.1882097      0.1407533     0.2753904      0.1955933     0.9457173E-01  0.2027076     62.71630 20.01747 49.50927 19.72786 13.20703       28.10494 
1 1 1 3  6  40  o 405.9316 16.84758 11.63003       0.9443401     12.66190       1.355567      10.65707       1.316296      418.6619 23.54432 382.8832 25.03496 35.77863       34.36691 
1 1 1 3  6  41  o 173.2196 24.39109 2.208510       0.5672436     2.208510       0.5672436     0.000000       0.000000      173.2196 24.39109 ?        ?        0.000000       24.39109 
1 1 1 3  6  42  o 151.2418 24.39117 1.694362       0.4920527     1.694362       0.4920527     0.000000       0.000000      151.2418 24.39117 ?        ?        0.000000       24.39117 
1 1 1 3  6  43  o 415.4935 16.88222 12.21868       0.9685715     12.15850       1.360309      12.28056       1.379425      408.5996 24.21824 410.4471 24.44984 -1.847504      34.41393 
1 1 1 3  6  44  o 188.1733 11.61957 2.483719       0.3004387     2.062696       0.4219577     2.916629       0.4278730     169.3850 18.33335 202.8186 15.39290 -33.43361      23.93853 
1 1 1 3  6  45  o 48.54544 13.78018 0.1698586      0.9667195E-01 0.2449129      0.1427918     0.1063477      0.1313529     58.14467 16.82483 43.81093 16.27830 14.33374       23.41064 
1 1 1 3  6  46  o 82.34089 11.18840 0.4819209      0.1239159     0.3798114      0.1589799     0.6399843      0.1977994     71.90119 16.37872 93.99808 15.79993 -22.09689      22.75742 
1 1 1 3  6  47  o 321.1456 10.43215 7.192210       0.4626088     7.333937       0.5966794     6.978646       0.7324556     323.2619 13.36745 313.3486 16.99191 9.913361       21.61975 
1 1 1 3  6  48  o 295.0225 10.42471 6.068422       0.4246753     6.021525       0.5458855     6.140317       0.6758923     292.9159 13.49648 294.0835 16.71343 -1.167603      21.48240 
1 1 1 3  6  49  f 289.5538 9.476136 5.834704       0.3788773     5.804216       0.5341060     5.865585       0.5375373     287.6443 13.44726 289.1556 13.46291 -1.511322      19.02837 
1 1 1 3  6  50  o 179.8074 9.563816 2.256204       0.2365988     2.173165       0.3332619     2.340592       0.3359567     175.4261 13.87109 182.2154 13.44745 -6.789230      19.31944 
1 1 1 3  6  51  o 199.9505 9.464246 2.781576       0.2613042     2.741728       0.3686723     2.821802       0.3704137     197.2605 13.61854 200.1741 13.47960 -2.913620      19.16153 
1 1 1 3  6  52  o 275.3732 10.35466 5.282537       0.3937273     5.149594       0.6173993     5.373662       0.5111555     269.5005 16.67273 276.9160 13.36802 -7.415497      21.37016 
1 1 1 3  6  53  o 102.9999 10.83308 0.7473910      0.1517639     0.6985140      0.2355623     0.7820751      0.1984349     97.83707 18.10348 104.6935 14.08380 -6.856392      22.93664 
1 1 1 3  6  54  o 172.2302 10.40367 2.073069       0.2462581     2.099216       0.3855179     2.055047       0.3200668     171.7831 16.45403 170.7253 13.69224 1.057755       21.40590 
1 1 1 3  6  55  o 221.2423 10.33496 3.407940       0.3157294     3.337643       0.4940513     3.456468       0.4104886     216.9221 16.62059 221.7760 13.46820 -4.853882      21.39244 
1 1 1 3  6  56  o 91.94940 11.13268 0.5977406      0.1384670     0.6697639      0.2143545     0.5461656      0.1813911     96.13361 16.75723 86.84012 15.70528 9.293488       22.96651 
1 1 1 3  6  57  o 152.1206 10.56453 1.619144       0.2205336     1.598821       0.3440332     1.633319       0.2873324     149.6131 16.95220 152.0762 13.83442 -2.463089      21.88077 
1 1 1 3  6  58  o 196.9595 10.45439 2.708620       0.2833059     2.889000       0.4454037     2.586056       0.3671500     201.9164 16.10921 191.5926 13.97436 10.32372       21.32579 
1 1 1 3  6  59  o 132.5178 10.76863 1.231317       0.1953440     1.172442       0.3040988     1.272678       0.2548870     127.6199 17.73620 134.0530 13.97545 -6.433121      22.58066 
1 1 1 3  6  60  f 217.5604 10.40330 3.296209       0.3125279     3.152713       0.4879305     3.396036       0.4069672     210.6604 16.91670 219.7979 13.47407 -9.137543      21.62695 
1 1 1 3  6  61  o 134.3935 10.79472 1.266702       0.1986312     1.275826       0.3081935     1.260219       0.2597834     133.3388 17.13550 133.2609 14.34387 0.7794189E-01  22.34663 
1 1 1 3  6  62  o 57.56732 12.52026 0.2405993      0.9668981E-01 0.2625868      0.1345332     0.2171074      0.1390592     59.97847 15.96287 55.21966 16.76542 4.758816       23.14935 
1 1 1 3  6  63  o 129.7567 10.91243 1.182679       0.1937038     1.156815       0.2998903     1.201194       0.2537353     126.6043 17.63313 129.9720 14.37905 -3.367722      22.75268 
1 1 1 3  6  64  o 291.1648 10.55797 5.913085       0.4244801     5.928810       0.5468069     5.889239       0.6733744     290.5715 13.62834 287.7907 17.02069 2.780731       21.80449 
1 1 1 3  6  65  o 114.4396 13.16148 0.9306216      0.2041919     0.9272721      0.2852686     0.9341412      0.2924056     112.5632 19.03199 112.8527 19.46776 -0.2894669     27.22518 
1 1 1 3  6  66  o 113.3630 11.39555 0.9074139      0.1759633     1.160387       0.2892762     0.7588331      0.2216954     126.8181 16.94303 102.3460 16.22879 24.47204       23.46146 
1 1 1 3  6  67  o 137.1391 9.928849 1.318513       0.1867453     1.468126       0.2331850     1.050966       0.3118292     144.3125 11.80531 119.6399 19.55114 24.67258       22.83883 
1 1 1 3  6  68  o 159.0230 9.690911 1.770384       0.2117801     1.714495       0.2949848     1.829833       0.3042338     155.3549 13.89788 160.5447 13.85964 -5.189789      19.62754 
1 1 1 3  6  69  o 86.24947 10.52111 0.5275809      0.1227044     0.5008838      0.2059888     0.5422643      0.1527659     82.01481 18.61523 86.83864 13.15189 -4.823830      22.79252 
1 1 1 3  6  70  o 85.01647 10.94805 0.5141699      0.1255357     0.6226233      0.1772064     0.4049099      0.1778640     92.83426 14.28169 73.79012 17.68665 19.04414       22.73289 
1 1 1 3  6  71  o 56.43980 11.57178 0.2314449      0.8715485E-01 0.2491973      0.1124926     0.2047879      0.1378477     58.23011 14.13341 53.61980 16.76616 4.610306       21.92846 
1 1 1 3  6  72  o 150.7648 8.529637 1.588656       0.1768415     1.431997       0.2487029     1.748864       0.2515040     142.0073 12.82158 157.4006 11.65462 -15.39328      17.32695 
1 1 1 3  6  73  f 108.6571 8.909381 0.8287769      0.1324971     0.7975782      0.1866810     0.8604467      0.1880853     105.5751 13.08609 109.8396 12.63096 -4.264465      18.18755 
1 1 1 3  6  74  o 85.39320 9.144342 0.5145349      0.1061472     0.5144198      0.1506995     0.5146483      0.1495369     84.37811 13.38087 84.42876 13.26416 -0.5065155E-01 18.84106 
1 1 1 3  6  75  o 173.8755 8.518980 2.107333       0.2045332     2.098027       0.2904153     2.116491       0.2881060     172.1970 12.29477 173.0098 12.13672 -0.8127747     17.27603 
1 1 1 3  6  76  o 174.8123 8.493963 2.130334       0.2050314     2.117766       0.2909021     2.142739       0.2890233     172.9920 12.25756 174.0676 12.09997 -1.075592      17.22373 
1 1 1 3  6  77  o 56.65303 11.11617 0.2328293      0.8385356E-01 0.1894215      0.1195980     0.2747994      0.1176009     51.28551 15.54297 61.07380 14.21195 -9.788284      21.06094 
1 1 1 3  6  78  o 87.87856 9.845610 0.5468255      0.1174180     0.5952165      0.1670732     0.4995973      0.1650535     90.71768 13.77022 82.60540 15.02378 8.112282       20.37971 
1 1 1 3  6  79  o 52.11999 10.61159 0.1971989      0.7377429E-01 0.1301908      0.1049550     0.2626408      0.1037211     43.90777 14.70502 59.87675 12.92385 -15.96899      19.57712 
1 1 1 3  6  80  o 85.44011 9.792550 0.5172806      0.1134443     0.5995763      0.1623700     0.4387953      0.1585665     91.16669 13.28905 77.16280 15.42143 14.00388       20.35729 
1 1 1 3  6  81  o 145.9666 8.918756 1.493275       0.1788986     1.599719       0.2550521     1.390187       0.2509983     150.0748 12.41949 139.5849 13.17844 10.48990       18.10842 
1 1 1 3  6  82  o 124.2878 9.331445 1.085994       0.1589768     1.132989       0.2255723     1.039614       0.2240894     125.8745 13.17320 120.3404 13.73153 5.534081       19.02861 
1 1 1 3  6  83  o 134.9387 9.101167 1.278403       0.1685881     1.294526       0.2384782     1.262297       0.2383608     134.6507 12.98740 132.8890 13.16310 1.761734       18.49161 
1 1 1 3  6  84  o 121.9904 9.556200 1.048231       0.1596844     1.052760       0.2257989     1.043700       0.2258568     120.9941 13.75984 120.4428 13.83138 0.5513306      19.51001 
1 1 1 3  6  85  o 247.4263 8.661005 4.278714       0.2959049     4.078335       0.4164050     4.483122       0.4205716     239.6222 12.62954 251.8168 12.09532 -12.19464      17.48719 
1 1 1 3  6  86  o 50.45911 11.50051 0.1867249      0.7834642E-01 0.2149647      0.1114280     0.1591143      0.1101797     53.89714 14.60746 47.31571 15.01566 6.581436       20.94870 
1 1 1 3  6  87  o 119.7589 11.35978 1.022501       0.1856045     0.7640672      0.2544148     1.316538       0.2713738     100.4719 19.03514 134.6263 14.84506 -34.15442      24.13944 
1 1 1 3  6  88  o 74.72524 15.90622 0.4192310      0.1590880     0.1823471      0.2513169     0.5776221      0.2055035     56.99944 22.19126 87.36208 17.64322 -30.36264      28.35023 
1 1 1 3  6  89  o 71.41382 14.09384 0.3794709      0.1340445     0.5102608      0.2112883     0.2913721      0.1734097     81.15038 19.16238 61.93825 18.70337 19.21212       26.77710 
1 1 1 3  6  90  o 72.01899 13.13407 0.3839645      0.1257998     0.3143496      0.1722055     0.4636296      0.1842170     63.84275 18.47748 77.58816 17.59924 -13.74540      25.51765 
1 1 1 3  6  91  f 102.0394 12.77529 0.7621580      0.1760565     0.8118009      0.2676574     0.7242999      0.2337384     101.6316 19.78447 96.77769 18.15806 4.853905       26.85406 
1 1 1 3  6  92  o 31.94363 8.010416 0.7465121E-01  0.3526883E-01 0.8476036E-01  0.3679974E-01 -0.3932102E-01 0.1235626     34.03245 7.970927 31.17722 13.95451 2.855236       16.07060 
1 1 1 3  6  93  o 120.7923 11.75925 1.064763       0.1936489     1.024732       0.2554031     1.118896       0.2970020     115.6181 16.46285 119.3084 18.63766 -3.690331      24.86740 
1 1 1 3  6  94  o 92.40247 11.91007 0.6298989      0.1484250     0.6361383      0.2144118     0.6241580      0.2056702     89.44337 17.98400 88.96171 17.36611 0.4816666      25.00012 
1 1 1 3  6  95  o 78.75231 12.73770 0.4656575      0.1337844     0.4620837      0.1937407     0.4689150      0.1849638     75.25733 18.72077 76.30558 17.86904 -1.048248      25.87992 
1 1 1 3  6  96  o 83.89240 12.09374 0.5247235      0.1360474     0.6529423      0.1996584     0.4135912      0.1858797     91.11826 16.47523 70.93645 18.70839 20.18181       24.92864 
1 1 1 3  6  97  o 59.40910 14.19346 0.2748277      0.1148400     0.1911613      0.1663909     0.3509372      0.1586987     50.86732 18.41599 65.84383 17.24873 -14.97650      25.23227 
1 1 1 3  6  98  o 30.08688 12.20004 0.3481860E-01  0.7898135E-01 -0.6874144E-01 0.1128453     0.1342662      0.1105821     27.67584 12.75212 43.19666 15.07614 -15.52081      19.74606 
1 1 1 3  6  99  o 49.65567 14.54326 0.1920778      0.1061162     0.2864388      0.1544930     0.1077970      0.1460081     59.33046 17.59495 42.90891 16.85468 16.42154       24.36518 
1 1 1 3  6  100 o 34.44841 13.19943 0.6754676E-01  0.8787407E-01 0.1601318      0.1270061     -0.1747581E-01 0.1217085     46.48013 16.16065 31.73563 14.04764 14.74449       21.41268 
1 1 1 3  6  101 o 29.18772 12.12993 0.2319827E-01  0.8059701E-01 0.2270967E-01  0.1160771     0.2365312E-01  0.1119953     33.71065 14.31602 33.30083 14.09749 0.4098206      20.09198 
1 1 1 3  6  102 o 35.69880 13.76361 0.7200050E-01  0.9594841E-01 0.9381691E-01  0.1364048     0.5063453E-01  0.1349894     41.10969 16.24530 37.73008 15.69059 3.379612       22.58549 
1 1 1 3  6  103 f 84.32508 12.60491 0.5367407      0.1422652     0.4988107      0.2027351     0.5735385      0.1996864     77.20322 19.11810 83.91202 17.78630 -6.708801      26.11234 
1 1 1 3  6  104 f 54.04210 15.66665 0.2332241      0.1237070     0.3497503      0.1882736     0.1446969      0.1641028     64.22144 19.50994 46.64148 17.99507 17.57996       26.54166 
1 1 1 3  6  105 o 104.5995 12.16805 0.8235518      0.1724630     0.6886144      0.2624197     0.9261449      0.2288177     87.88651 21.74332 108.1204 15.79232 -20.23385      26.87320 
1 1 1 3  6  106 o 56.07774 15.61250 0.2571556      0.1253487     0.1594771      0.1923632     0.3292393      0.1652497     48.26708 19.22261 62.06115 18.14051 -13.79407      26.43079 
1 1 1 3  6  107 o 69.33201 16.26319 0.4030945      0.1530064     0.6290491      0.2153469     0.1727353      0.2174356     84.66561 18.89891 49.25969 20.14037 35.40593       27.61889 
1 1 1 3  6  108 o 35.02871 15.17549 0.3060241E-01  0.1354143     0.6795901E-02  0.2142982     0.4642672E-01  0.1747162     39.99677 18.09779 39.10810 17.08635 0.8886681      24.88922 
1 1 1 3  6  109 o 49.82474 18.36045 0.2253531      0.1664409     0.3708813      0.2542502     0.1162184      0.2201757     58.57315 22.44993 44.21711 19.25332 14.35604       29.57516 
1 1 1 3  6  110 o 28.25565 13.31667 -0.8141471E-01 0.1347113     -0.5944673E-01 0.1937308     -0.1019805     0.1874458     34.33265 16.11430 32.40881 15.40208 1.923836       22.29114 
1 1 1 3  6  111 o 38.19242 17.82032 0.2836584E-01  0.2311474     0.000000       0.000000      0.2836584E-01  0.2311474     ?        ?        38.19242 17.82032 0.000000       17.82032 
1 1 1 3  6  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  0   o 128.7187 27.16822 1.297776       0.4249218     0.000000       0.000000      1.297776       0.4249218     128.7187 27.16822 128.7187 27.16822 0.000000       0.000000 
1 1 1 3  7  1   o 257.6150 13.13886 4.623622       0.4658230     4.950993       0.5762233     4.006141       0.7913766     266.0890 15.75303 237.0218 24.53529 29.06717       29.15713 
1 1 1 3  7  2   o 183.6292 13.13009 2.354999       0.3307296     2.570151       0.4075922     1.940300       0.5658724     191.4498 15.55260 163.7256 25.89119 27.72421       30.20326 
1 1 1 3  7  3   o 201.4933 13.15170 2.833328       0.3639084     2.691680       0.4455925     3.117017       0.6305984     195.7322 16.64483 209.4252 22.14228 -13.69305      27.70074 
1 1 1 3  7  4   o 168.9894 16.17665 2.009156       0.3728609     2.017799       0.5260768     2.000432       0.5285418     167.6973 23.35256 166.8998 23.59183 0.7975159      33.19513 
1 1 1 3  7  5   o 187.0699 13.11388 2.443995       0.3366034     2.277594       0.4112345     2.781800       0.5859282     179.8945 16.74759 197.7682 21.81931 -17.87372      27.50571 
1 1 1 3  7  6   o 104.8726 16.72369 0.7861606      0.2340419     0.7605069      0.3296389     0.8122377      0.3323483     101.8322 23.86034 105.3312 23.45308 -3.498978      33.45688 
1 1 1 3  7  7   o 95.53285 16.92953 0.6557224      0.2151487     0.7541853      0.3047575     0.5578919      0.3037772     101.5960 22.33271 87.53595 24.28125 14.06005       32.98984 
1 1 1 3  7  8   o 209.3651 16.10997 3.075562       0.4621575     3.253425       0.6560819     2.900376       0.6511251     213.7745 22.56723 201.3418 23.88617 12.43268       32.86075 
1 1 1 3  7  9   o 409.5097 13.53914 11.66495       0.7655846     12.04007       1.327305      11.47792       0.9371967     412.3817 23.40598 405.4158 16.74141 6.965851       28.77698 
1 1 1 3  7  10  f 150.9744 13.19374 1.596890       0.2722858     1.573487       0.4698931     1.608721       0.3340936     147.4766 23.89214 150.9681 16.28456 -3.491531      28.91403 
1 1 1 3  7  11  o 160.2456 13.15475 1.797579       0.2885080     1.846726       0.4986782     1.772852       0.3537154     160.1900 23.22189 158.5291 16.39564 1.660934       28.42663 
1 1 1 3  7  12  o 377.7651 13.36561 9.928424       0.6971862     10.03730       1.207761      9.874009       0.8538048     376.2177 23.36446 375.9915 16.44533 0.2262268      28.57179 
1 1 1 3  7  13  o 282.5001 13.13077 5.551716       0.5122085     5.356778       0.8832464     5.650494       0.6287264     274.2850 23.54908 284.0260 16.09738 -9.741028      28.52516 
1 1 1 3  7  14  o 99.20360 13.60555 0.6975724      0.1814630     0.6224855      0.3142637     0.7351300      0.2222598     92.08744 24.34462 101.3213 16.45050 -9.233871      29.38161 
1 1 1 3  7  15  o 116.4824 13.41165 0.9566925      0.2117763     1.058609       0.3667136     0.9056952      0.2594051     120.5096 22.87443 112.5215 17.24552 7.988136       28.64695 
1 1 1 3  7  16  o 188.1257 13.13244 2.475105       0.3389990     2.528190       0.5886321     2.448761       0.4146710     187.6676 23.21003 186.4822 16.26667 1.185455       28.34272 
1 1 1 3  7  17  f 251.7364 13.17136 4.423745       0.4562497     4.522964       0.7936447     4.374769       0.5576000     251.7458 23.08830 249.6181 16.26627 2.127655       28.24290 
1 1 1 3  7  18  o 95.65668 13.79622 0.6504754      0.1769586     0.5245751      0.3057050     0.7139195      0.2170124     84.93903 24.62935 99.78465 16.31396 -14.84561      29.54235 
1 1 1 3  7  19  o 133.8626 11.45028 1.254465       0.2096108     1.151243       0.2956899     1.358733       0.2971847     127.0375 17.30689 138.5280 15.82015 -11.49055      23.44793 
1 1 1 3  7  20  o 247.4615 11.31919 4.257256       0.3867773     4.322788       0.5477951     4.192110       0.5461797     247.9908 16.08400 244.1404 16.29522 3.850433       22.89605 
1 1 1 3  7  21  f 92.73564 11.90688 0.6080734      0.1489476     0.5119636      0.2096872     0.7059571      0.2116134     83.70962 18.62164 99.20809 15.99111 -15.49847      24.54549 
1 1 1 3  7  22  o 149.4682 13.19896 1.569918       0.2696134     1.601796       0.3313346     1.507443       0.4638445     150.3308 16.21865 143.5299 24.26933 6.800919       29.18982 
1 1 1 3  7  23  o 73.38136 14.23169 0.3888380      0.1390010     0.3466911      0.1708030     0.4714914      0.2391900     68.91712 17.81752 80.12130 21.26616 -11.20418      27.74371 
1 1 1 3  7  24  o 112.3911 13.51263 0.8944678      0.2055025     0.7804911      0.2519330     1.121097       0.3552510     103.7946 18.24400 123.9753 21.53340 -20.18065      28.22287 
1 1 1 3  7  25  o 143.0242 13.27530 1.440679       0.2591857     1.348149       0.3178839     1.624185       0.4476648     137.4043 17.12623 149.4249 22.38583 -12.02068      28.18569 
1 1 1 3  7  26  o 172.7647 13.18551 2.097171       0.3121748     2.117136       0.3829916     2.057647       0.5388581     172.8240 16.23942 167.8679 23.92397 4.956131       28.91497 
1 1 1 3  7  27  o 125.4811 13.40154 1.112988       0.2286130     1.147637       0.2806239     1.044614       0.3942016     126.7221 16.42373 118.3954 24.90205 8.326668       29.83037 
1 1 1 3  7  28  o 75.50866 17.38745 0.4178843      0.1775431     0.4178843      0.1775431     0.000000       0.000000      75.50866 17.38745 ?        ?        0.000000       17.38745 
1 1 1 3  7  29  o 235.2120 16.34586 3.914862       0.5275934     3.914862       0.5275934     0.000000       0.000000      235.2120 16.34586 ?        ?        0.000000       16.34586 
1 1 1 3  7  30  o 143.8419 24.69494 1.533221       0.4728239     1.533221       0.4728239     0.000000       0.000000      143.8419 24.69494 ?        ?        0.000000       24.69494 
1 1 1 3  7  31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  33  o 187.3555 16.32283 2.496538       0.4180607     2.126173       0.5884547     2.873965       0.5940390     168.9912 26.05556 198.8581 22.00252 -29.86685      34.10283 
1 1 1 3  7  34  f 218.7825 16.31181 3.399615       0.4892378     3.845053       0.6985932     2.970880       0.6853699     230.0774 22.26792 200.5359 25.31514 29.54152       33.71523 
1 1 1 3  7  35  o 250.6346 11.50768 4.389088       0.3982601     4.258466       0.5619265     4.520924       0.5645322     244.7412 16.72803 252.3891 16.28560 -7.647949      23.34625 
1 1 1 3  7  36  o 369.2100 11.71050 9.530885       0.5970170     9.522566       0.8446866     9.539188       0.8439329     366.6905 16.68238 367.0270 16.65221 -0.3365784     23.57113 
1 1 1 3  7  37  o 205.0194 11.54211 2.946920       0.3254226     2.881034       0.4599105     3.012981       0.4605242     201.0394 16.71904 205.7612 16.34341 -4.721710      23.38019 
1 1 1 3  7  38  o 129.9658 11.83045 1.190645       0.2099847     1.086153       0.2962096     1.296207       0.2977228     122.3975 18.06963 134.4429 16.37580 -12.04543      24.38603 
1 1 1 3  7  39  o 138.9275 11.71852 1.358537       0.2227029     1.381350       0.3151491     1.335781       0.3147504     138.7349 16.79297 136.3018 17.09986 2.433151       23.96683 
1 1 1 3  7  40  o 217.2205 11.55442 3.305860       0.3453207     3.231890       0.4877689     3.380189       0.4889477     213.0871 16.71148 218.0834 16.35598 -4.996307      23.38358 
1 1 1 3  7  41  o 121.1396 11.92727 1.035444       0.1969227     1.023051       0.2778666     1.047949       0.2791191     118.9849 17.42919 120.4960 17.26942 -1.511024      24.53588 
1 1 1 3  7  42  o 81.14100 12.82974 0.4718579      0.1389667     0.4837803      0.1963305     0.4598873      0.1967272     81.05526 18.00934 78.94069 18.38956 2.114571       25.73932 
1 1 1 3  7  43  o 210.6455 13.47441 3.123514       0.3898688     3.082964       0.4763303     3.205811       0.6785884     208.1991 16.70959 209.2269 23.91806 -1.027740      29.17677 
1 1 1 3  7  44  o 127.7461 13.96054 1.158201       0.2422478     1.100112       0.2948134     1.278952       0.4250543     123.4139 17.81586 131.0067 24.39468 -7.592888      30.20770 
1 1 1 3  7  45  o 284.8169 13.47739 5.684999       0.5300411     5.408664       0.6438704     6.265985       0.9336055     276.1320 16.96884 293.9876 23.18654 -17.85556      28.73251 
1 1 1 3  7  46  o 214.4195 13.53625 3.233576       0.3987179     3.449273       0.4878607     2.799696       0.6919261     220.6498 16.12397 194.4603 26.45529 26.18953       30.98169 
1 1 1 3  7  47  o 128.2764 14.04113 1.166961       0.2446450     1.144354       0.2980803     1.213616       0.4282186     126.0720 17.60306 127.4249 25.23003 -1.352951      30.76397 
1 1 1 3  7  48  o 47.46389 15.21684 0.1549755      0.1129316     0.1456759      0.1345447     0.1771494      0.2077577     47.83171 16.63320 55.51535 20.50299 -7.683636      26.40144 
1 1 1 3  7  49  o 257.7553 13.52961 4.664853       0.4798554     4.579765       0.5845350     4.840698       0.8403099     254.2645 16.74262 258.1580 23.84241 -3.893570      29.13376 
1 1 1 3  7  50  o 30.87773 10.76453 0.5921682E-01  0.5636841E-01 0.5870475E-01  0.7431702E-01 0.5991048E-01  0.8649581E-01 32.98547 12.24660 34.63048 13.13669 -1.645012      17.95973 
1 1 1 3  7  51  o 169.6322 10.49409 2.011165       0.2445980     1.866427       0.3143426     2.233297       0.3894199     162.5707 14.14400 177.3947 16.07241 -14.82401      21.40970 
1 1 1 3  7  52  o 67.83245 12.46961 0.3313629      0.1124922     0.3676522      0.1450817     0.2766559      0.1781333     71.01955 15.24983 62.23112 18.99332 8.788429       24.35782 
1 1 1 3  7  53  o 305.8662 9.533117 6.505419       0.4026285     6.580045       0.5688219     6.430487       0.5699852     306.5399 13.43852 302.9768 13.62436 3.563019       19.13680 
1 1 1 3  7  54  o 239.3501 9.488561 3.983742       0.3135970     4.012059       0.4422369     3.955102       0.4447602     238.9752 13.45660 237.2129 13.63580 1.762268       19.15764 
1 1 1 3  7  55  o 133.0111 9.859250 1.237762       0.1797905     1.170953       0.2528441     1.306091       0.2557043     128.3546 14.52148 135.8151 13.82777 -7.460526      20.05194 
1 1 1 3  7  56  o 122.1657 9.977077 1.045757       0.1668332     0.9751316      0.2354221     1.117004       0.2364568     116.8611 14.93076 125.4555 13.88240 -8.594398      20.38746 
1 1 1 3  7  57  o 121.5403 10.91241 1.038556       0.1811868     1.040465       0.2827077     1.037225       0.2360353     119.9798 17.58648 120.6547 14.45534 -0.6748810     22.76491 
1 1 1 3  7  58  f 72.31570 13.78508 0.3789802      0.1326263     0.4633342      0.1793547     0.2772019      0.1970096     79.47020 16.86633 62.72215 20.09727 16.74805       26.23687 
1 1 1 3  7  59  o 77.45860 15.49989 0.4378385      0.1599943     0.5627937      0.2537760     0.3554084      0.2061183     86.78277 21.32914 69.62057 20.23409 17.16220       29.39984 
1 1 1 3  7  60  o 69.64005 13.33299 0.3515631      0.1235413     0.4531476      0.2250723     0.3077596      0.1477959     78.00177 20.59350 64.68391 16.49587 13.31786       26.38572 
1 1 1 3  7  61  o 100.0226 17.24416 0.7300719      0.2295645     0.8288563      0.3254159     0.6322082      0.3238958     104.8886 23.09352 91.27267 24.97466 13.61589       34.01535 
1 1 1 3  7  62  o 151.9048 13.61129 1.636946       0.2824740     1.689015       0.3484525     1.537140       0.4824267     153.2976 16.73331 142.6133 25.43074 10.68433       30.44218 
1 1 1 3  7  63  o 157.5107 10.72558 1.742756       0.2318865     1.621020       0.3596497     1.829368       0.3033623     149.6663 17.74860 160.5065 13.82254 -10.84016      22.49611 
1 1 1 3  7  64  o 163.6540 12.07488 1.890408       0.2709375     1.537621       0.5327580     2.013479       0.3146673     140.7325 28.39486 168.4249 13.64763 -27.69243      31.50438 
1 1 1 3  7  65  o 93.57185 13.72502 0.6303602      0.1720646     0.6365350      0.3335550     0.6281213      0.2008508     91.04147 25.51121 92.67065 16.29079 -1.629173      30.26899 
1 1 1 3  7  66  o 122.4951 11.22537 1.060514       0.1877586     1.013062       0.2868433     1.096088       0.2483570     117.5132 18.27100 123.5068 14.86119 -5.993614      23.55174 
1 1 1 3  7  67  f 29.21115 11.29785 0.3899094E-01  0.6480850E-01 -0.2592173E-02 0.9170402E-01 0.8048175E-01  0.9160216E-01 29.45291 12.62113 37.30001 13.63962 -7.847109      18.58311 
1 1 1 3  7  68  o 120.8489 10.51915 1.029985       0.1737832     0.9055703      0.2433184     1.159536       0.2482901     111.6046 16.26732 127.1722 14.39271 -15.56757      21.72040 
1 1 1 3  7  69  f 84.93809 11.46455 0.5152273      0.1310259     0.5196669      0.1836142     0.5106210      0.1870303     83.97601 16.42321 83.10059 16.87538 0.8754196      23.54783 
1 1 1 3  7  70  o 115.1895 10.56982 0.9369848      0.1662443     0.9594865      0.2346900     0.9143233      0.2355221     115.2773 15.10758 112.3266 15.60655 2.950684       21.72103 
1 1 1 3  7  71  o 193.4283 9.918502 2.623694       0.2640225     2.746991       0.3762299     2.504058       0.3706021     196.4686 13.95912 187.3415 14.43765 9.127075       20.08240 
1 1 1 3  7  72  o 194.6473 9.979045 2.657900       0.2673084     2.638401       0.3812906     2.676745       0.3748540     192.2690 14.46786 193.8243 14.10275 -1.555313      20.20412 
1 1 1 3  7  73  o 180.2353 10.02635 2.280679       0.2485418     2.118371       0.3531827     2.439915       0.3498238     171.9065 15.02992 185.1012 13.78562 -13.19470      20.39465 
1 1 1 3  7  74  o 81.77216 11.59842 0.4791125      0.1272908     0.3435315      0.1814647     0.6104499      0.1786022     67.80088 18.75217 91.63965 14.60473 -23.83877      23.76851 
1 1 1 3  7  75  o 33.32737 11.02576 0.7445882E-01  0.5904996E-01 0.1993305      0.8648463E-01 -0.3459404E-01 0.8082124E-01 52.16690 12.22043 25.16328 11.27266 27.00362       16.62563 
1 1 1 3  7  76  o 15.07101 6.310730 0.2488126E-02  0.2205045E-01 -0.7461495E-02 0.3215461E-01 0.1132098E-01  0.3029637E-01 16.70590 7.313579 18.87277 7.589848 -2.166866      10.54012 
1 1 1 3  7  77  o 53.36111 14.35909 0.2093673      0.1081272     0.2247068      0.1533877     0.1942155      0.1524465     55.97062 17.71213 53.01722 17.72258 2.953407       25.05612 
1 1 1 3  7  78  o 121.8918 11.68833 1.055468       0.1943152     0.9813935      0.2576371     1.153199       0.2959318     115.8704 16.57494 125.3606 17.57925 -9.490204      24.16109 
1 1 1 3  7  79  o 199.9320 9.029815 2.794081       0.2492867     2.979993       0.3346857     2.562416       0.3736058     205.2457 11.85987 189.1819 14.41035 16.06371       18.66319 
1 1 1 3  7  80  o 73.91231 10.44019 0.3908306      0.1035862     0.3648122      0.1414438     0.4209270      0.1521246     70.19572 15.04495 75.49636 15.11989 -5.300636      21.32983 
1 1 1 3  7  81  o 62.80590 11.95613 0.2874694      0.9990056E-01 0.4787094      0.1368993     0.6962518E-01  0.1461117     81.32510 12.59842 41.77735 16.71482 39.54775       20.93097 
1 1 1 3  7  82  f 61.97202 12.23135 0.2810037      0.1009505     0.4016998      0.1386226     0.1447169      0.1473038     73.87072 14.10458 47.96648 17.33341 25.90424       22.34695 
1 1 1 3  7  83  o 117.8220 13.41867 1.002528       0.2144157     0.8011255      0.3204233     1.165839       0.2885365     100.8416 23.45434 125.5572 17.08635 -24.71560      29.01809 
1 1 1 3  7  84  o 140.0091 14.67508 1.427455       0.2794929     1.266549       0.4800059     1.509992       0.3437815     123.2925 28.72766 142.3143 17.88961 -19.02182      33.84253 
1 1 1 3  7  85  o 172.1948 12.21744 2.127395       0.2886089     2.124092       0.4194182     2.130365       0.3977525     168.1936 18.35736 169.2157 17.26476 -1.022095      25.20049 
1 1 1 3  7  86  f 171.1860 10.80419 2.091096       0.2540765     1.913320       0.3307403     2.347067       0.3968684     161.3036 15.02200 177.8026 16.34791 -16.49901      22.20168 
1 1 1 3  7  87  o 166.8013 11.08729 1.995858       0.2539113     1.917436       0.4006673     2.048489       0.3282368     158.1934 18.70447 166.8979 14.38336 -8.704514      23.59531 
1 1 1 3  7  88  o 199.3405 11.06034 2.857228       0.3032455     3.006330       0.4802412     2.758356       0.3910720     198.5075 17.70630 192.8644 14.79758 5.643051       23.07556 
1 1 1 3  7  89  o 81.59953 13.67185 0.5001006      0.1485975     0.4311676      0.1933603     0.5995401      0.2322383     73.22163 18.97090 86.02200 19.94062 -12.80038      27.52314 
1 1 1 3  7  90  f 27.62330 12.13911 -0.1427814E-01 0.8933082E-01 -0.8993799E-01 0.1093857     0.1372222      0.1547871     26.27970 12.26091 46.40039 17.58012 -20.12069      21.43340 
1 1 1 3  7  91  o 20.41887 9.224688 -0.2654750E-01 0.5542456E-01 -0.4760462E-01 0.7841421E-01 -0.5524774E-02 0.7835016E-01 23.44340 10.73815 26.47484 11.50649 -3.031441      15.73871 
1 1 1 3  7  92  o 49.57990 13.45931 0.1889503      0.9450902E-01 0.1360493      0.1377471     0.2360022      0.1299089     44.99618 16.67948 54.75474 16.10686 -9.758556      23.18697 
1 1 1 3  7  93  o 85.68163 12.03014 0.5474218      0.1384081     0.6479318      0.1974687     0.4503586      0.1940532     90.70890 16.36784 73.78663 18.94774 16.92227       25.03843 
1 1 1 3  7  94  o 60.86126 13.83669 0.2872714      0.1136493     0.1935583      0.1621330     0.3777971      0.1593518     50.85539 18.20796 68.41442 16.95431 -17.55903      24.87928 
1 1 1 3  7  95  o 32.77356 12.63886 0.5852154E-01  0.8092290E-01 0.1498528      0.1168991     -0.2551574E-01 0.1121341     45.08380 15.51396 30.00275 13.37081 15.08105       20.48076 
1 1 1 3  7  96  f 112.9452 10.69313 0.9346309      0.1647816     0.9326271      0.2252388     0.9369387      0.2417042     109.6830 15.28749 108.9259 16.59432 0.7571564      22.56278 
1 1 1 3  7  97  o 87.99756 12.24671 0.5803488      0.1447747     0.5727111      0.1988231     0.5889690      0.2112239     84.02428 17.69563 84.60180 18.58876 -0.5775223     25.66471 
1 1 1 3  7  98  o 53.89750 14.60597 0.2279593      0.1114124     0.1887760      0.1549805     0.2698655      0.1602747     50.14604 17.81794 57.68097 18.08563 -7.534931      25.38836 
1 1 1 3  7  99  o 126.8203 11.58363 1.188049       0.2006089     1.371408       0.2845700     1.006905       0.2828456     132.7408 15.83829 110.7310 19.19433 22.00979       24.88521 
1 1 1 3  7  100 o 183.4912 10.72382 2.460857       0.2705257     2.638476       0.3833903     2.284730       0.3817770     185.0755 15.13458 170.6472 16.40428 14.42830       22.31941 
1 1 1 3  7  101 f 176.4133 10.83891 2.285038       0.2627527     2.152018       0.3700929     2.420228       0.3731021     164.9647 16.46738 176.2659 15.48631 -11.30125      22.60532 
1 1 1 3  7  102 o 97.36230 12.88765 0.7238013      0.1690034     0.5157342      0.2374753     0.9373242      0.2405685     75.43488 21.65971 107.7159 16.71590 -32.28104      27.35991 
1 1 1 3  7  103 o 59.55308 16.44020 0.2965317      0.1396292     0.2234383      0.1789446     0.4103099      0.2232589     52.20854 19.06794 66.56256 21.40128 -14.35402      28.66358 
1 1 1 3  7  104 o 32.76917 14.46720 0.1115770E-02  0.1282634     0.2706663E-02  0.2695860     0.6502717E-03  0.1458261     43.74656 19.99025 34.53740 15.32784 9.209160       25.19033 
1 1 1 3  7  105 o 52.61196 18.99830 0.2510316      0.1769133     -0.8351146E-01 0.3351704     0.3802336      0.2082928     43.57485 20.67570 62.15034 20.71493 -18.57549      29.26760 
1 1 1 3  7  106 o 55.86885 21.44243 0.3301328      0.2321369     0.5144148      0.3788127     0.2193155      0.2937559     61.43973 25.96385 50.12761 22.02121 11.31212       34.04490 
1 1 1 3  7  107 o 28.21979 13.44305 -0.1053210     0.1445088     -0.9247211E-01 0.2939526     -0.1094159     0.1659461     38.81437 18.67084 30.13758 14.37015 8.676794       23.56059 
1 1 1 3  7  108 f 45.43620 20.43608 0.2236940      0.2685281     0.000000       0.000000      0.2236940      0.2685281     ?        ?        45.43620 20.43608 0.000000       20.43608 
1 1 1 3  7  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  0   o 214.0084 23.92154 3.342275       0.6842661     0.000000       0.000000      3.342275       0.6842661     214.0084 23.92154 214.0084 23.92154 0.000000       0.000000 
1 1 1 3  8  1   o 303.8948 16.29512 6.520265       0.6812918     6.884683       0.9719253     6.168225       0.9552746     309.0021 22.94270 291.8670 23.91302 17.13504       33.13910 
1 1 1 3  8  2   o 137.9351 16.76779 1.359603       0.3127972     2.086820       0.4508549     0.6847125      0.4343318     170.4263 19.51003 96.05524 29.71601 74.37110       35.54831 
1 1 1 3  8  3   o 131.9222 16.89736 1.245951       0.3007303     0.6297932      0.4235939     1.872118       0.4270205     92.69039 29.44492 161.2816 19.57580 -68.59124      35.35839 
1 1 1 3  8  4   o 142.5038 16.76031 1.450145       0.3234952     1.291008       0.4612145     1.604246       0.4538569     131.2759 26.35935 147.9800 22.95514 -16.70409      34.95359 
1 1 1 3  8  5   o 116.8587 24.42123 1.018505       0.3813689     0.000000       0.000000      1.018505       0.3813689     ?        ?        116.8587 24.42123 0.000000       24.42123 
1 1 1 3  8  6   o 223.9023 16.45911 3.550755       0.5052983     4.112223       0.7266513     3.025049       0.7031286     238.6235 22.31234 202.9047 25.67026 35.71886       34.01180 
1 1 1 3  8  7   o 262.4106 16.38308 4.870235       0.5906606     4.432703       0.8331428     5.312371       0.8375150     246.5287 24.81161 271.2829 22.56264 -24.75417      33.53638 
1 1 1 3  8  8   o 76.24097 17.43467 0.4265819      0.1795529     0.3777435      0.2556746     0.4741067      0.2522129     72.66176 22.85230 80.08073 22.09067 -7.418968      31.78404 
1 1 1 3  8  9   o 173.7875 16.33068 2.146662       0.3872907     2.210964       0.5483077     2.082639       0.5471178     173.8572 23.43712 168.3354 24.23654 5.521744       33.71511 
1 1 1 3  8  10  o 282.7185 16.31287 5.653388       0.6341236     5.493847       0.8929181     5.815724       0.9007050     275.0688 23.74153 283.3565 23.22440 -8.287720      33.21194 
1 1 1 3  8  11  o 345.3814 13.41904 8.355589       0.6399680     7.501903       1.087503      8.807837       0.7915345     320.9915 24.72609 353.4396 16.21872 -32.44806      29.57071 
1 1 1 3  8  12  o 200.0914 16.36190 2.842189       0.4481095     0.000000       0.000000      2.842189       0.4481095     ?        ?        200.0914 16.36190 0.000000       16.36190 
1 1 1 3  8  13  o 308.7332 16.44879 6.745792       0.6986930     0.000000       0.000000      6.745792       0.6986930     ?        ?        308.7332 16.44879 0.000000       16.44879 
1 1 1 3  8  14  o 285.1383 16.37910 5.757120       0.6421795     0.000000       0.000000      5.757120       0.6421795     ?        ?        285.1383 16.37910 0.000000       16.37910 
1 1 1 3  8  15  o 251.7773 16.36818 4.493516       0.5659654     0.000000       0.000000      4.493516       0.5659654     ?        ?        251.7773 16.36818 0.000000       16.36818 
1 1 1 3  8  16  o 296.8102 23.37368 6.400324       0.9502010     0.000000       0.000000      6.400324       0.9502010     ?        ?        296.8102 23.37368 0.000000       23.37368 
1 1 1 3  8  17  o 166.8474 23.80989 2.050472       0.5329890     0.000000       0.000000      2.050472       0.5329890     ?        ?        166.8474 23.80989 0.000000       23.80989 
1 1 1 3  8  18  o 233.8305 16.33878 3.880728       0.5242285     3.998795       0.7465194     3.765861       0.7363277     234.1063 23.40725 226.8919 23.85999 7.214371       33.42452 
1 1 1 3  8  19  f 286.6648 16.43294 5.827527       0.6477565     5.775004       0.9194103     5.879292       0.9127579     281.2937 23.89696 284.1002 23.47767 -2.806488      33.50024 
1 1 1 3  8  20  o 346.9299 16.52129 8.514625       0.7914501     8.793191       1.128337      8.244825       1.110437      347.5219 23.65431 336.1524 24.08280 11.36948       33.75659 
1 1 1 3  8  21  o 303.0016 13.38594 6.442502       0.5600567     5.489153       0.9580151     6.937480       0.6903023     272.8402 25.73274 312.9554 16.02797 -40.11520      30.31617 
1 1 1 3  8  22  o 316.8249 13.39304 7.044935       0.5859172     7.800858       1.028048      6.681267       0.7130619     327.6414 22.86696 306.6342 16.90636 21.00726       28.43805 
1 1 1 3  8  23  o 266.6673 13.26186 4.989686       0.4883288     5.249912       0.8510288     4.861943       0.5962583     268.2888 23.20058 261.5645 16.59482 6.724365       28.52464 
1 1 1 3  8  24  f 252.9205 13.31459 4.500757       0.4633588     4.443067       0.8028421     4.529572       0.5673971     246.2722 23.91031 252.5377 16.35927 -6.265549      28.97117 
1 1 1 3  8  25  o 89.32823 12.20697 0.5683681      0.1466278     0.5195448      0.2068957     0.6176348      0.2078336     83.91261 18.36590 92.01158 16.98388 -8.098976      25.01516 
1 1 1 3  8  26  o 270.4268 11.48579 5.110152       0.4288926     5.322664       0.6081820     4.899912       0.6049228     273.9565 16.14874 262.5423 16.77401 11.41425       23.28410 
1 1 1 3  8  27  o 134.0469 11.66516 1.265007       0.2137638     1.199884       0.3013733     1.330944       0.3032507     129.0199 17.35683 136.2687 16.44912 -7.248856      23.91303 
1 1 1 3  8  28  o 161.5736 11.58134 1.833060       0.2566709     1.768609       0.3614026     1.898653       0.3645933     157.2126 16.91428 163.1123 16.41041 -5.899719      23.56681 
1 1 1 3  8  29  o 134.5822 11.68609 1.274785       0.2150117     1.446500       0.3040335     1.102982       0.3041115     142.3860 15.72627 123.3261 18.42309 19.05993       24.22242 
1 1 1 3  8  30  o 92.48893 14.10062 0.6138293      0.1743837     0.6190992      0.2143802     0.6035230      0.2998031     92.04463 17.50718 89.69025 23.80998 2.354378       29.55362 
1 1 1 3  8  31  o 126.2978 13.59108 1.131173       0.2332903     1.005417       0.2856796     1.382903       0.4041879     117.7514 18.15361 137.1426 22.09447 -19.39124      28.59579 
1 1 1 3  8  32  o 251.0519 13.32160 4.429678       0.4601516     4.667256       0.5664128     3.968524       0.7891388     256.7012 16.06043 232.4798 24.97420 24.22133       29.69256 
1 1 1 3  8  33  o 127.9212 13.67514 1.160114       0.2378105     1.333105       0.2932098     0.8275545      0.4065386     136.6534 15.83217 104.2527 27.75032 32.40066       31.94899 
1 1 1 3  8  34  o 171.7064 13.45543 2.078361       0.3164701     2.254298       0.3898370     1.738322       0.5419620     178.1249 16.02107 152.3334 26.74079 25.79150       31.17282 
1 1 1 3  8  35  o 328.3975 13.42020 7.555847       0.6085510     7.591477       0.7469136     7.485489       1.049576      327.5334 16.56881 321.1032 23.84198 6.430145       29.03386 
1 1 1 3  8  36  o 238.9106 13.36961 4.009513       0.4392844     3.827562       0.5382184     4.372575       0.7602777     232.2198 16.90095 245.7050 22.66436 -13.48523      28.27216 
1 1 1 3  8  37  o 149.9365 13.53485 1.586960       0.2771987     1.743691       0.3421040     1.287352       0.4729961     156.5533 16.05255 130.6644 27.10438 25.88884       31.50130 
1 1 1 3  8  38  o 146.1259 13.50927 1.507521       0.2694969     1.410006       0.3307653     1.700096       0.4648200     140.2363 17.45937 152.3746 22.79207 -12.13821      28.71077 
1 1 1 3  8  39  f 244.0375 13.34340 4.180799       0.4479324     4.244471       0.5510153     4.056736       0.7691508     244.8736 16.39074 236.1334 23.91937 8.740234       28.99643 
1 1 1 3  8  40  o 127.6465 13.73256 1.154005       0.2382383     1.197640       0.2937497     1.070143       0.4072367     129.2669 16.85837 119.4716 25.46407 9.795242       30.53889 
1 1 1 3  8  41  o 155.8716 13.53778 1.713511       0.2884813     1.712149       0.3553675     1.716141       0.4940096     154.9162 16.88632 152.5913 24.25783 2.324814       29.55656 
1 1 1 3  8  42  o 134.5433 11.96062 1.273262       0.2198876     1.174026       0.3080454     1.376355       0.3139754     127.6579 17.97309 138.7601 16.72373 -11.10217      24.55025 
1 1 1 3  8  43  o 319.1364 11.67602 7.106314       0.5145282     7.493590       0.7316481     6.727384       0.7237220     326.1181 16.24760 308.2376 17.07047 17.88052       23.56662 
1 1 1 3  8  44  o 67.75475 13.70362 0.3327914      0.1238024     0.2795840      0.1747842     0.3863643      0.1753834     62.41822 18.76142 72.51917 17.67546 -10.10094      25.77621 
1 1 1 3  8  45  o 147.3232 11.89380 1.524726       0.2398895     1.609064       0.3406192     1.441726       0.3379070     150.1505 16.71231 141.7650 17.64371 8.385483       24.30230 
1 1 1 3  8  46  f 232.6477 11.62965 3.777353       0.3735969     3.918932       0.5294489     3.636947       0.5272498     235.1900 16.40575 226.3183 16.99581 8.871674       23.62216 
1 1 1 3  8  47  o 117.1283 14.46055 0.9770944      0.2289102     0.9729483      0.2782786     0.9857714      0.4025647     115.9411 17.96322 114.2742 26.08654 1.666893       31.67310 
1 1 1 3  8  48  o 77.44993 15.93609 0.4376882      0.1647432     0.3922331      0.1986688     0.5377505      0.2947634     72.94603 19.39062 84.99700 24.03996 -12.05097      30.88552 
1 1 1 3  8  49  o 207.8085 13.75682 3.042866       0.3925145     2.661239       0.4753223     3.861033       0.6959677     192.8561 18.05941 230.7281 22.11590 -37.87204      28.55268 
1 1 1 3  8  50  o 176.0766 13.79063 2.189707       0.3326128     2.200919       0.4051402     2.166524       0.5825558     175.5472 16.92337 170.6826 25.49968 4.864594       30.60448 
1 1 1 3  8  51  o 102.6481 15.14874 0.7577240      0.2082635     0.7259786      0.2487740     0.8320925      0.3807662     99.43066 18.80847 104.5112 26.38207 -5.080559      32.40018 
1 1 1 3  8  52  o 69.10835 19.77115 0.3509091      0.1982009     0.3308015      0.2738454     0.3730305      0.2872301     69.51817 23.75058 72.87421 24.32686 -3.356033      33.99832 
1 1 1 3  8  53  o 282.6651 17.11337 5.694751       0.6648045     6.754576       0.9537860     4.693334       0.9271316     304.2952 22.86678 250.5609 27.23589 53.73430       35.56238 
1 1 1 3  8  54  o 117.5199 26.88523 1.059718       0.4268184     1.059718       0.4268184     0.000000       0.000000      117.5199 26.88523 ?        ?        0.000000       26.88523 
1 1 1 3  8  55  o 87.69356 25.12804 0.5825343      0.3199130     0.5825343      0.3199130     0.000000       0.000000      87.69356 25.12804 ?        ?        0.000000       25.12804 
1 1 1 3  8  56  o 91.87441 14.51461 0.6098995      0.1780198     0.6655887      0.2213148     0.5078208      0.2996345     95.21579 17.47713 82.22452 24.53081 12.99127       30.11994 
1 1 1 3  8  57  o 146.4138 14.02213 1.526619       0.2800202     1.766121       0.4829444     1.405323       0.3436905     153.6656 23.50798 138.9165 18.36788 14.74911       29.83294 
1 1 1 3  8  58  o 215.4203 10.56777 3.246733       0.3143462     2.908221       0.4967068     3.472890       0.4059926     200.6122 18.12682 221.5609 13.33257 -20.94870      22.50198 
1 1 1 3  8  59  o 152.5779 9.803622 1.632612       0.2054522     1.484631       0.2897509     1.782245       0.2913625     144.0372 14.77773 158.3943 13.44873 -14.35716      19.98124 
1 1 1 3  8  60  o 120.8169 9.975787 1.026953       0.1649343     1.003139       0.2329267     1.050900       0.2335794     118.1612 14.58555 121.0849 14.24254 -2.923630      20.38598 
1 1 1 3  8  61  o 50.94584 12.88149 0.1899428      0.9067121E-01 0.2438685      0.1349488     0.1455643      0.1224215     57.65773 16.25153 46.73505 15.88041 10.92268       22.72223 
1 1 1 3  8  62  o 81.34685 12.11433 0.4749982      0.1319233     0.4021378      0.1996022     0.5315132      0.1757930     73.25722 19.41841 85.22440 15.50962 -11.96718      24.85203 
1 1 1 3  8  63  o 153.7625 10.71267 1.664282       0.2260290     1.836328       0.3510157     1.542411       0.2954296     159.6803 16.14144 146.7227 14.78348 12.95760       21.88829 
1 1 1 3  8  64  o 140.5976 10.82619 1.393601       0.2085633     1.427167       0.3230675     1.369615       0.2730961     140.2173 17.03602 138.2470 14.52319 1.970322       22.38636 
1 1 1 3  8  65  o 84.14805 12.09321 0.5079233      0.1364777     0.4302818      0.2081683     0.5664539      0.1807419     75.61852 19.72882 88.01980 15.43373 -12.40128      25.04848 
1 1 1 3  8  66  o 97.75167 11.30529 0.6795657      0.1497807     0.7160652      0.2299106     0.6526520      0.1974250     98.50214 17.54672 94.53490 15.67322 3.967232       23.52737 
1 1 1 3  8  67  o 151.0326 10.82109 1.608012       0.2241774     1.607508       0.3489108     1.608367       0.2925528     148.6766 17.32012 149.9107 14.30664 -1.234146      22.46478 
1 1 1 3  8  68  o 232.1861 10.55239 3.779743       0.3383179     3.701632       0.5290274     3.833794       0.4400692     226.4509 17.04365 232.2165 13.78607 -5.765640      21.92126 
1 1 1 3  8  69  o 53.76770 13.40761 0.2125004      0.9920245E-01 0.1781969      0.1502964     0.2389821      0.1320542     51.44674 17.59517 56.99562 16.08027 -5.548885      23.83622 
1 1 1 3  8  70  o 77.34813 12.61719 0.4325356      0.1301103     0.4571346      0.1984889     0.4140023      0.1722878     77.98349 18.67903 74.50658 17.10758 3.476906       25.32934 
1 1 1 3  8  71  o 111.0667 10.45427 0.8723111      0.1584436     0.8084222      0.2259693     0.9340995      0.2222237     105.2085 16.06398 113.7887 14.47072 -8.580193      21.62066 
1 1 1 3  8  72  f 47.46820 13.48684 0.1638910      0.9255585E-01 0.1612565      0.1319330     0.1664440      0.1298786     48.77583 16.48622 49.18899 16.35565 -0.4131622     23.22289 
1 1 1 3  8  73  o 122.4248 10.63936 1.059751       0.1780667     1.071802       0.2489953     1.047136       0.2547520     121.6928 15.14566 120.0447 15.74863 1.648071       21.84972 
1 1 1 3  8  74  o 68.52585 12.81314 0.3423999      0.1167832     0.3078545      0.1622064     0.3795780      0.1682735     64.20438 17.71764 71.17033 17.29314 -6.965942      24.75818 
1 1 1 3  8  75  o 73.27694 12.38153 0.3894489      0.1208156     0.3726653      0.1664736     0.4081253      0.1756103     70.46979 17.24798 73.70624 17.51344 -3.236450      24.58076 
1 1 1 3  8  76  o 33.98500 12.50003 0.6618084E-01  0.7709505E-01 0.1143580      0.1084916     0.1703739E-01  0.1095742     42.29750 14.92087 33.49166 14.04830 8.805840       20.49359 
1 1 1 3  8  77  f 156.0493 11.90401 1.732867       0.2545683     1.612247       0.3145142     1.962002       0.4334883     148.9508 15.51975 162.0804 19.77939 -13.12959      25.14134 
1 1 1 3  8  78  o 96.23571 14.99717 0.6804156      0.1927947     0.5624049      0.2530163     0.8437990      0.2977089     84.99377 21.53339 104.5571 21.34276 -19.56334      30.31832 
1 1 1 3  8  79  o 130.7159 18.43438 1.282483       0.3234941     1.418663       0.4402213     1.122622       0.4769639     133.5751 24.77992 115.1553 29.77564 18.41986       38.73800 
1 1 1 3  8  80  o 85.88219 16.28222 0.5551276      0.1860216     0.5841033      0.2353248     0.5068611      0.3037201     86.52882 20.08265 79.40279 24.89649 7.126022       31.98668 
1 1 1 3  8  81  o 111.7616 15.06768 0.9250787      0.2266023     0.8520973      0.2833361     1.054612       0.3774735     104.3920 20.38743 113.4848 24.78284 -9.092789      32.09106 
1 1 1 3  8  82  f 58.81188 15.19742 0.2634677      0.1243032     0.1252817      0.1830525     0.3817133      0.1693308     48.13886 18.88387 70.09827 17.53752 -21.95941      25.77140 
1 1 1 3  8  83  o 80.28103 16.35425 0.4956709      0.1751372     0.8442787      0.3599059     0.3875086      0.2004743     98.85211 26.01410 69.61864 19.87284 29.23347       32.73627 
1 1 1 3  8  84  o 95.84871 15.11817 0.6956966      0.1934571     1.243239       0.4086966     0.5375871      0.2196196     120.3753 25.38721 81.61772 19.70972 38.75762       32.14006 
1 1 1 3  8  85  o 82.18796 13.22464 0.5062406      0.1449919     0.5536810      0.2185672     0.4689561      0.1937650     82.58391 19.48214 76.36811 18.55726 6.215797       26.90586 
1 1 1 3  8  86  o 120.5274 13.86645 1.089638       0.2265695     0.9896195      0.3208836     1.189077       0.3199537     108.4835 22.17000 121.3248 19.78014 -12.84132      29.71132 
1 1 1 3  8  87  o 139.7007 13.27898 1.455778       0.2530736     1.282185       0.3565876     1.631951       0.3592272     123.9231 21.62561 143.1268 18.61724 -19.20369      28.53539 
1 1 1 3  8  88  o 126.3559 13.50754 1.199205       0.2320217     1.209666       0.3262513     1.188500       0.3300380     121.2860 20.19047 119.7103 20.71611 1.575722       28.92771 
1 1 1 3  8  89  o 62.77868 16.37460 0.3154206      0.1434262     0.1759099      0.2045479     0.4503549      0.2011650     51.30589 20.00753 73.38794 19.51394 -22.08205      27.94808 
1 1 1 3  8  90  o 41.83063 15.36182 0.1176723      0.1163722     0.1733979      0.1594720     0.5419556E-01  0.1702017     49.03099 17.98643 41.19686 17.40618 7.834133       25.02972 
1 1 1 3  8  91  o 96.17142 13.77597 0.7047327      0.1777132     0.7681804      0.2369635     0.6231771      0.2686587     97.18932 18.32948 83.86886 22.66147 13.32047       29.14639 
1 1 1 3  8  92  o 121.9924 14.36387 1.136753       0.2373231     1.381857       0.3361793     0.8932571      0.3350745     129.9327 19.32612 99.02389 24.61236 30.90879       31.29324 
1 1 1 3  8  93  o 184.4706 13.25708 2.550116       0.3354340     2.886371       0.4741694     2.213276       0.4745814     189.7734 18.32292 161.6021 21.82637 28.17130       28.49772 
1 1 1 3  8  94  o 194.9852 11.60886 2.796209       0.3111425     2.999283       0.3957739     2.467605       0.5034503     198.5803 14.53452 170.6448 21.86931 27.93550       26.25869 
1 1 1 3  8  95  o 163.9655 10.64364 1.961752       0.2396763     2.265317       0.3375900     1.653232       0.3403337     172.6176 14.29193 144.1716 17.45108 28.44597       22.55659 
1 1 1 3  8  96  o 153.9175 10.85689 1.736506       0.2292650     1.799822       0.3203861     1.670057       0.3282150     152.3380 15.44446 145.4636 16.63991 6.874435       22.70282 
1 1 1 3  8  97  o 158.4311 10.63127 1.840904       0.2312273     2.059982       0.3251128     1.616652       0.3289301     163.5791 14.54532 142.0866 17.10930 21.49248       22.45650 
1 1 1 3  8  98  o 172.7271 10.47727 2.193617       0.2487077     2.067788       0.3495897     2.322568       0.3539015     161.5118 15.88064 172.3741 15.01875 -10.86226      21.85766 
1 1 1 3  8  99  o 37.15821 14.52415 0.8249093E-01  0.1079854     0.1189644      0.1380780     0.2505282E-01  0.1732750     42.34498 16.45910 38.75695 16.97212 3.588024       23.64223 
1 1 1 3  8  100 o 94.16372 16.73021 0.7451368      0.2095624     0.5289095      0.4113975     0.8209033      0.2435258     66.97228 27.57970 96.56091 18.94109 -29.58863      33.45751 
1 1 1 3  8  101 o 119.1709 17.58095 1.235591       0.2806121     1.214915       0.4969977     1.245267       0.3399897     90.04602 31.91709 112.2734 22.71074 -22.22742      39.17242 
1 1 1 3  8  102 o 55.48541 20.78163 0.3163387      0.2149246     0.2421534      0.3389232     0.3662366      0.2779610     51.66998 23.12010 57.14147 22.98614 -5.471485      32.60217 
1 1 1 3  8  103 o 86.30180 24.36787 0.8979092      0.3031245     0.7879641      0.4534703     0.9867195      0.4075609     65.16563 27.99911 77.43180 28.69293 -12.26617      40.09032 
1 1 1 3  8  104 o 48.65404 21.57280 0.2982775      0.2882084     0.000000       0.000000      0.2982775      0.2882084     ?        ?        48.65404 21.57280 0.000000       21.57280 
1 1 1 3  8  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  0   o 88.51350 29.91438 0.7153127      0.3271201     0.000000       0.000000      0.7153127      0.3271201     88.51350 29.91438 88.51350 29.91438 0.000000       0.000000 
1 1 1 3  9  1   o 124.8068 16.96266 1.120754       0.2847544     0.9733939      0.4043220     1.265777       0.4011043     113.2963 26.34354 130.7383 23.06149 -17.44197      35.01163 
1 1 1 3  9  2   o 202.4713 16.43641 2.914189       0.4555578     3.264088       0.6498536     2.576091       0.6388006     211.7697 22.57141 186.5723 25.46064 25.19743       34.02517 
1 1 1 3  9  3   o 145.5702 16.83123 1.517230       0.3320803     1.779486       0.4745878     1.265649       0.4648292     155.6830 22.74817 129.3158 26.90767 26.36719       35.23495 
1 1 1 3  9  4   o 149.7106 13.53104 1.584110       0.2766957     1.424578       0.3382228     1.906935       0.4811310     140.7039 17.80699 161.4917 22.16052 -20.78778      28.42846 
1 1 1 3  9  5   o 108.6678 13.94590 0.8418098      0.2044309     0.8199942      0.2507136     0.8850903      0.3531346     106.2389 17.71433 108.5645 24.17715 -2.325584      29.97219 
1 1 1 3  9  6   o 99.05615 17.26550 0.7134171      0.2275707     0.7293194      0.3212666     0.6974020      0.3224034     98.51497 23.86823 96.27171 24.26187 2.243263       34.03426 
1 1 1 3  9  7   o 152.0510 13.52976 1.633514       0.2810968     1.729288       0.3460524     1.447746       0.4819522     155.6880 16.34085 138.8708 26.09162 16.81725       30.78630 
1 1 1 3  9  8   o 172.7264 13.40678 2.103562       0.3172523     2.196651       0.3901357     1.921832       0.5451014     175.6865 16.26656 160.8162 25.39026 14.87027       30.15404 
1 1 1 3  9  9   o 180.2407 13.37064 2.289180       0.3303972     2.251140       0.4050670     2.364794       0.5710970     177.7312 16.70125 179.5208 23.61145 -1.789536      28.92114 
1 1 1 3  9  10  o 188.2972 13.33471 2.496956       0.3444670     2.290512       0.4204951     2.918150       0.6006224     179.1265 17.21249 200.4013 22.07111 -21.27475      27.98935 
1 1 1 3  9  11  o 206.2314 11.55124 2.978775       0.3276204     2.699503       0.4579575     3.271533       0.4688860     194.5892 17.22174 214.8215 15.92039 -20.23235      23.45308 
1 1 1 3  9  12  o 290.9512 11.53273 5.910548       0.4633298     5.819901       0.6508464     6.003688       0.6597385     286.5924 16.51654 291.1136 16.48001 -4.521240      23.33210 
1 1 1 3  9  13  o 332.0950 11.58883 7.700666       0.5314223     7.944398       0.7507825     7.455942       0.7523091     335.5178 16.20543 324.3493 16.85561 11.16843       23.38221 
1 1 1 3  9  14  o 96.14107 12.04100 0.6555870      0.1563428     0.6679493      0.2190087     0.6427405      0.2232567     95.82932 17.18225 93.78205 17.89326 2.047264       24.80723 
1 1 1 3  9  15  o 88.47897 12.25352 0.5572124      0.1456872     0.5926124      0.2044638     0.5207043      0.2076386     90.17420 17.04541 84.12051 18.38894 6.053696       25.07388 
1 1 1 3  9  16  o 108.3069 11.93233 0.8289251      0.1754902     0.7345547      0.2463757     0.9261125      0.2500257     100.2805 18.47343 113.4674 16.43657 -13.18684      24.72707 
1 1 1 3  9  17  o 266.9431 11.48140 4.972819       0.4232059     4.480891       0.5933637     5.482168       0.6037791     251.1864 17.21129 278.5535 15.76218 -27.36708      23.33827 
1 1 1 3  9  18  o 374.5634 13.53729 9.830245       0.7001567     9.645024       1.212890      9.922813       0.8574488     364.4942 24.23680 374.9622 16.56085 -10.46808      29.35446 
1 1 1 3  9  19  o 193.0409 13.39957 2.621893       0.3549608     2.736639       0.6171926     2.565181       0.4339013     193.5842 23.57634 189.9496 16.71317 3.634552       28.89937 
1 1 1 3  9  20  o 360.5460 13.52968 9.106078       0.6735753     10.30370       1.190598      8.542318       0.8168707     377.8588 22.92748 347.7548 17.01148 30.10400       28.54926 
1 1 1 3  9  21  o 183.1816 13.42141 2.361772       0.3371196     2.431844       0.5860636     2.327121       0.4121298     182.2822 23.85682 180.8907 16.68800 1.391495       29.11421 
1 1 1 3  9  22  o 341.5977 13.49499 8.171803       0.6365398     9.439038       1.126592      7.577535       0.7714872     361.8883 22.65941 327.1138 17.13979 34.77448       28.41164 
1 1 1 3  9  23  o 172.5640 13.42242 2.096889       0.3173135     1.841316       0.5481276     2.225712       0.3891529     157.3952 26.13726 177.0803 16.09083 -19.68510      30.69318 
1 1 1 3  9  24  o 213.9861 13.36560 3.217317       0.3929455     2.881675       0.6781511     3.386967       0.4821314     198.0255 25.38532 218.7428 16.07484 -20.71733      30.04688 
1 1 1 3  9  25  o 103.1115 14.11339 0.7585386      0.1956699     0.6717260      0.3378176     0.8023681      0.2400349     94.64011 25.34412 105.3608 17.08403 -10.72072      30.56450 
1 1 1 3  9  26  o 217.9839 13.35657 3.337993       0.4000902     3.186406       0.6922769     3.414016       0.4902563     208.8085 24.47430 219.5543 16.28734 -10.74576      29.39845 
1 1 1 3  9  27  o 128.2732 13.73144 1.165064       0.2394368     1.259027       0.4167124     1.118753       0.2925511     130.3441 24.03862 124.7117 17.46781 5.632446       29.71498 
1 1 1 3  9  28  o 202.2844 13.45846 2.876734       0.3737748     3.445950       0.6543563     2.601063       0.4553764     218.3810 21.99970 191.1236 17.44750 27.25740       28.07850 
1 1 1 3  9  29  o 349.1194 13.55575 8.534520       0.6534850     8.600726       1.133961      8.501600       0.7996158     344.6547 23.97666 347.1988 16.67882 -2.544037      29.20724 
1 1 1 3  9  30  o 166.4980 13.57335 1.953508       0.3093414     1.465356       0.5331089     2.201301       0.3798248     139.1107 28.70571 176.2067 15.77776 -37.09598      32.75600 
1 1 1 3  9  31  o 223.3412 13.46857 3.504514       0.4134202     2.899528       0.7103122     3.814446       0.5084056     198.0697 26.64739 232.2506 15.94982 -34.18086      31.05608 
1 1 1 3  9  32  o 145.5636 11.78767 1.488067       0.2348950     1.451586       0.3314528     1.524875       0.3329355     142.4088 17.20441 146.1203 16.80717 -3.711533      24.05147 
1 1 1 3  9  33  o 332.1853 11.69502 7.700451       0.5364379     8.256395       0.7638854     7.159524       0.7534968     342.3146 16.16087 317.8989 17.22976 24.41574       23.62283 
1 1 1 3  9  34  o 109.4443 12.13497 0.8465026      0.1803006     0.9517612      0.2543460     0.7401817      0.2556259     115.0919 16.47448 100.5541 19.10914 14.53781       25.23030 
1 1 1 3  9  35  o 136.9930 13.64632 1.327442       0.2547024     1.315426       0.3132648     1.350880       0.4374957     135.4487 17.13248 134.8938 24.38544 0.5549469      29.80221 
1 1 1 3  9  36  o 119.6198 13.91107 1.016352       0.2254832     1.075122       0.2782214     0.9038693      0.3849057     122.2875 16.93093 109.4134 25.88193 12.87410       30.92783 
1 1 1 3  9  37  o 159.4807 13.57492 1.795165       0.2960956     1.722658       0.3641365     1.936671       0.5087011     155.1554 17.29058 162.4153 23.35462 -7.259903      29.05860 
1 1 1 3  9  38  o 182.0905 13.47555 2.336784       0.3364159     2.230731       0.4127623     2.546630       0.5806172     176.7849 17.12359 186.6695 23.01299 -9.884613      28.68475 
1 1 1 3  9  39  o 41.09996 13.92182 0.1105073      0.9408328E-01 0.9227297E-01  0.1166368     0.1444692      0.1591797     41.15552 15.32992 49.43934 17.99510 -8.283817      23.63958 
1 1 1 3  9  40  o 246.3672 13.43248 4.270797       0.4552337     4.317261       0.5598480     4.180120       0.7820931     246.5232 16.54241 238.8967 24.03510 7.626465       29.17769 
1 1 1 3  9  41  o 225.1482 13.44283 3.570285       0.4160163     3.781468       0.5131220     3.165190       0.7106707     230.7193 16.20929 206.7570 25.42857 23.96225       30.15549 
1 1 1 3  9  42  f 72.71993 15.35301 0.3866984      0.1493260     0.3888349      0.1856756     0.3827861      0.2512564     72.50756 18.48839 72.64137 22.62284 -0.1338043     29.21666 
1 1 1 3  9  43  o 145.3211 25.71626 1.589074       0.4971472     1.589074       0.4971472     0.000000       0.000000      145.3211 25.71626 ?        ?        0.000000       25.71626 
1 1 1 3  9  44  o 91.60931 25.99065 0.6369848      0.3439879     0.6369848      0.3439879     0.000000       0.000000      91.60931 25.99065 ?        ?        0.000000       25.99065 
1 1 1 3  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  46  o 153.0576 16.83265 1.684760       0.3498724     1.601440       0.4947640     1.768101       0.4948245     145.5537 25.54907 153.7981 24.09137 -8.244415      35.11623 
1 1 1 3  9  47  o 171.6509 16.71130 2.115313       0.3910676     1.967671       0.5523714     2.263686       0.5537374     161.4595 25.63241 174.4653 23.59063 -13.00572      34.83588 
1 1 1 3  9  48  o 132.2346 12.31810 1.238375       0.2223315     1.498829       0.3142138     0.9772217      0.3146351     144.4124 16.02769 114.6800 20.62769 29.73241       26.12257 
1 1 1 3  9  49  o 190.3732 11.88098 2.553341       0.3107575     2.887740       0.4420443     2.226598       0.4369549     200.8831 16.07073 175.2964 18.32279 25.58672       24.37197 
1 1 1 3  9  50  o 141.7130 12.27988 1.421665       0.2379180     1.545522       0.3371916     1.298867       0.3357468     146.2071 17.02062 133.2262 18.77127 12.98088       25.33895 
1 1 1 3  9  51  o 118.6525 14.79526 1.012174       0.2371355     1.062564       0.2872418     0.9043288      0.4202199     120.5974 17.78298 107.3954 28.03601 13.20206       33.20019 
1 1 1 3  9  52  o 153.7069 14.35779 1.686434       0.3012037     1.712557       0.3671428     1.632658       0.5267724     153.6609 17.62208 145.3891 27.24033 8.271866       32.44339 
1 1 1 3  9  53  o 79.30923 16.75971 0.4652801      0.1777925     0.4749897      0.2157433     0.4447296      0.3138688     79.50264 19.74263 77.72394 25.40573 1.778702       32.17487 
1 1 1 3  9  54  f 168.1461 14.23338 2.015550       0.3273682     1.817459       0.3965904     2.439172       0.5799614     157.8844 18.54450 180.2963 23.88349 -22.41183      30.23772 
1 1 1 3  9  55  o 155.8728 14.40210 1.735684       0.3064755     1.567440       0.3716600     2.093180       0.5417652     146.3320 18.83062 166.5713 24.26748 -20.23936      30.71649 
1 1 1 3  9  56  o 142.5582 14.68612 1.456405       0.2849545     1.403951       0.3428944     1.573489       0.5122945     138.5371 18.37854 142.5390 27.01726 -4.001923      32.67572 
1 1 1 3  9  57  o 156.7399 14.49758 1.756689       0.3102169     2.070273       0.3767757     1.096715       0.5465997     169.5206 16.29700 116.0370 32.70756 53.48361       36.54280 
1 1 1 3  9  58  o 115.2942 15.51933 0.9624972      0.2407930     1.368771       0.2944413     0.1421323      0.4184010     137.7216 15.76724 66.24458 27.59263 71.47702       31.77985 
1 1 1 3  9  59  o 165.2783 14.43182 1.952707       0.3260596     2.273515       0.3990591     1.308375       0.5655481     177.5501 16.46447 126.6959 32.24580 50.85417       36.20594 
1 1 1 3  9  60  o 135.6907 15.10674 1.325520       0.2782422     1.561210       0.3393282     0.8418390      0.4861036     146.5944 17.08394 102.4564 31.39445 44.13802       35.74174 
1 1 1 3  9  61  o 174.8154 14.45875 2.184622       0.3458856     2.232669       0.4207100     2.084408       0.6075900     175.3209 17.61683 163.5418 27.90714 11.77910       33.00245 
1 1 1 3  9  62  o 79.64678 11.59605 0.4549774      0.1237877     0.4942279      0.1760339     0.4165817      0.1741065     81.82047 16.15437 74.73659 17.22462 7.083878       23.61464 
1 1 1 3  9  63  o 68.10165 11.66060 0.3350034      0.1057085     0.3635622      0.1507178     0.3073534      0.1483004     70.00030 15.94872 64.28390 16.59395 5.716400       23.01566 
1 1 1 3  9  64  o 187.6781 9.986095 2.473183       0.2578587     2.133327       0.3646327     2.813168       0.3647020     172.2237 15.49893 198.9212 13.35505 -26.69745      20.45908 
1 1 1 3  9  65  o 70.87832 12.43960 0.3643126      0.1173061     0.3842087      0.1778194     0.3489822      0.1560885     71.58150 18.00663 68.42096 16.67379 3.160538       24.54086 
1 1 1 3  9  66  o 165.5381 10.78647 1.932090       0.2452090     2.024303       0.3792245     1.865835       0.3214491     167.1221 16.65515 161.2831 14.59198 5.839005       22.14317 
1 1 1 3  9  67  o 108.1584 11.30151 0.8316519      0.1662926     0.9826855      0.2528407     0.7165161      0.2207573     116.0296 16.22503 98.57593 16.82203 17.45364       23.37161 
1 1 1 3  9  68  o 64.03011 13.33112 0.3010516      0.1140347     0.3353269      0.1693406     0.2726120      0.1542523     66.85669 17.96083 60.63065 17.47046 6.226040       25.05610 
1 1 1 3  9  69  o 129.5578 11.01868 1.189729       0.1952487     1.369807       0.2978789     1.054083       0.2585297     137.2089 16.02426 120.1754 15.97550 17.03356       22.62727 
1 1 1 3  9  70  o 62.33488 12.97170 0.2855425      0.1080182     0.3436125      0.1588496     0.2355945      0.1473225     67.61739 17.02438 56.67650 17.26721 10.94090       24.24842 
1 1 1 3  9  71  o 43.25260 14.28613 0.1290398      0.9915085E-01 0.1682605      0.1159432     0.2228971E-01  0.1912810     48.54361 15.40318 43.18136 18.35860 5.362244       23.96448 
1 1 1 3  9  72  o 122.1765 15.72790 1.094790       0.2591749     1.141571       0.3979335     1.060326       0.3415504     119.9552 24.84196 117.1495 21.92004 2.805763       33.13021 
1 1 1 3  9  73  o 93.23357 14.23002 0.6381104      0.1773910     0.6983577      0.3150711     0.6101491      0.2146437     93.21750 24.24793 89.64945 17.96521 3.568047       30.17799 
1 1 1 3  9  74  o 210.0657 16.90911 3.264529       0.4863177     2.968155       0.6852859     3.565217       0.6902553     191.2655 26.67354 212.8032 23.90409 -21.53769      35.81736 
1 1 1 3  9  75  o 151.5322 14.07766 1.676282       0.2911931     1.664119       0.3613878     1.698796       0.4916828     148.5110 17.98989 144.1811 25.63608 4.329834       31.31844 
1 1 1 3  9  76  o 113.3284 11.67778 0.9286461      0.1801240     1.048680       0.2727230     0.8357735      0.2398912     117.5252 17.32524 104.7965 17.17291 12.72877       24.39411 
1 1 1 3  9  77  o 73.65004 15.26566 0.4132813      0.1501491     0.4747839      0.3047026     0.3935575      0.1725539     75.54978 25.04839 70.90345 17.68410 4.646332       30.66185 
1 1 1 3  9  78  f 53.95533 15.41057 0.2230877      0.1205167     0.2385319      0.2231651     0.2167292      0.1431922     57.65500 21.25801 53.46936 17.13390 4.185642       27.30336 
1 1 1 3  9  79  o 44.40194 14.52692 0.1439920      0.1026113     0.6458232E-01  0.1470042     0.2194452      0.1432953     40.40736 16.54512 53.54164 17.13828 -13.13428      23.82146 
1 1 1 3  9  80  o 89.68906 13.39809 0.6037029      0.1608415     0.6141493      0.2150790     0.5904482      0.2422691     87.58882 18.36983 84.18458 20.93060 3.404243       27.84853 
1 1 1 3  9  81  o 82.76477 13.75163 0.5193673      0.1516431     0.6174421      0.2030279     0.3956182      0.2280596     88.29355 17.27152 68.53391 21.58761 19.75964       27.64652 
1 1 1 3  9  82  o 167.4579 11.41464 2.050313       0.2623665     1.951808       0.3431180     2.188995       0.4071223     159.4149 15.79540 166.4647 17.99841 -7.049744      23.94656 
1 1 1 3  9  83  o 55.45408 14.92473 0.2410812      0.1168025     0.2280548      0.1575154     0.2569937      0.1740933     53.95593 18.01491 56.75623 18.93915 -2.800301      26.13864 
1 1 1 3  9  84  o 152.5609 11.68838 1.713571       0.2443541     1.553185       0.3184388     1.943254       0.3810718     140.8048 16.70414 156.1985 17.99737 -15.39365      24.55471 
1 1 1 3  9  85  o 103.8423 12.65040 0.8079554      0.1776426     0.7303176      0.2344529     0.9126065      0.2722015     94.56183 18.61836 105.2690 19.44252 -10.70720      26.91941 
1 1 1 3  9  86  o 106.4535 14.35546 0.8676016      0.2056348     0.8470387      0.2883561     0.8888800      0.2933308     99.30013 21.64135 101.9154 21.51917 -2.615265      30.51922 
1 1 1 3  9  87  o 69.89556 16.48862 0.3921176      0.1565618     0.5429034      0.2197123     0.2365746      0.2231514     80.21246 19.92610 55.87918 21.12347 24.33328       29.03878 
1 1 1 3  9  88  o 101.9805 15.01220 0.8035983      0.2050723     0.6519869      0.2848088     0.9668278      0.2955199     85.22288 23.46069 107.2448 20.70579 -22.02190      31.29111 
1 1 1 3  9  89  o 61.02462 17.15855 0.3017808      0.1506239     0.3935676      0.2110704     0.2065331      0.2150129     67.92149 20.66257 53.63293 20.62407 14.28856       29.19408 
1 1 1 3  9  90  o 188.6133 12.83172 2.654795       0.3322045     2.765552       0.4681594     2.542464       0.4714743     185.2715 18.54904 175.9889 19.74183 9.282578       27.08887 
1 1 1 3  9  91  o 149.1605 13.34683 1.678308       0.2719916     1.596076       0.3821103     1.762768       0.3872496     137.7639 20.72923 146.0478 19.70560 -8.283875      28.60090 
1 1 1 3  9  92  o 115.2436 12.65597 1.000815       0.1980795     1.185347       0.2999988     0.8581889      0.2637438     120.0215 18.71202 101.0392 19.61130 18.98232       27.10614 
1 1 1 3  9  93  o 49.24580 15.76716 0.1926763      0.1212784     0.2884220      0.1814481     0.1153624      0.1630503     58.32093 19.32905 44.02680 17.64215 14.29413       26.16978 
1 1 1 3  9  94  o 69.19685 19.44521 0.4231073      0.1935028     0.4576954      0.2316253     0.3431974      0.3520652     70.14363 21.70077 61.56285 25.44883 8.580780       33.44497 
1 1 1 3  9  95  o 34.70228 15.72212 -0.2938672E-01 0.1623232     0.6461470E-02  0.2165528     -0.7535890E-01 0.2452324     40.74802 18.33743 39.71550 18.47206 1.032513       26.02841 
1 1 1 3  9  96  o 134.8852 22.18520 1.744149       0.3988356     1.929234       0.5600177     1.553650       0.5681477     120.3767 32.79872 100.0558 34.20980 20.32095       47.39268 
1 1 1 3  9  97  o 54.35266 23.49983 0.2962522      0.3234107     0.2962522      0.3234107     0.000000       0.000000      54.35266 23.49983 ?        ?        0.000000       23.49983 
1 1 1 3  9  98  o 82.83303 31.97833 1.318109       0.5184805     1.318109       0.5184805     0.000000       0.000000      82.83303 31.97833 ?        ?        0.000000       31.97833 
1 1 1 3  9  99  o 75.85867 31.28482 1.364483       0.5303157     1.364483       0.5303157     0.000000       0.000000      75.85867 31.28482 ?        ?        0.000000       31.28482 
1 1 1 3  9  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 0   f 103.8559 29.53781 0.9230477      0.3670070     0.000000       0.000000      0.9230477      0.3670070     103.8559 29.53781 103.8559 29.53781 0.000000       0.000000 
1 1 1 3  10 1   o 180.6416 23.97773 2.388422       0.5833075     0.000000       0.000000      2.388422       0.5833075     ?        ?        180.6416 23.97773 0.000000       23.97773 
1 1 1 3  10 2   o 190.6816 23.97336 2.657408       0.6172593     0.000000       0.000000      2.657408       0.6172593     ?        ?        190.6816 23.97336 0.000000       23.97336 
1 1 1 3  10 3   f 209.4795 23.93472 3.199728       0.6798931     0.000000       0.000000      3.199728       0.6798931     ?        ?        209.4795 23.93472 0.000000       23.93472 
1 1 1 3  10 4   o 205.4763 16.48210 2.994548       0.4637046     3.063232       0.6531684     2.924757       0.6584176     205.1081 23.48570 199.9837 24.34580 5.124374       33.82745 
1 1 1 3  10 5   o 316.6509 16.59841 7.089555       0.7232203     5.953711       0.9999561     8.335402       1.047259      285.4458 25.64354 340.1978 22.41949 -54.75198      34.06207 
1 1 1 3  10 6   o 206.7983 24.02639 3.120814       0.6732913     0.000000       0.000000      3.120814       0.6732913     ?        ?        206.7983 24.02639 0.000000       24.02639 
1 1 1 3  10 7   o 327.0875 16.63145 7.564571       0.7486848     8.195816       1.066644      6.951559       1.051127      336.9005 23.06757 309.0792 24.83880 27.82123       33.89807 
1 1 1 3  10 8   o 185.2779 16.62942 2.439555       0.4209107     2.939177       0.6002293     1.956151       0.5904073     201.5082 21.92566 161.7668 27.41043 39.74138       35.10080 
1 1 1 3  10 9   o 274.4427 13.48161 5.274516       0.5108945     5.574806       0.6309560     4.702786       0.8706104     280.7739 16.34509 253.6721 25.18800 27.10179       30.02661 
1 1 1 3  10 10  o 307.6230 13.48065 6.627097       0.5726216     6.876497       0.7054821     6.145516       0.9803312     311.8833 16.43965 290.5676 24.66670 21.31573       29.64301 
1 1 1 3  10 11  o 351.5931 13.58606 8.659388       0.6595864     7.764020       0.7971604     10.60307       1.174512      330.9232 17.50766 383.8672 22.25389 -52.94391      28.31526 
1 1 1 3  10 12  o 222.3430 13.46528 3.474387       0.4114567     2.937519       0.4989974     4.614763       0.7272578     202.9418 17.99351 253.3693 20.97587 -50.42755      27.63609 
1 1 1 3  10 13  o 242.9464 11.56432 4.118366       0.3879437     4.130486       0.5452080     4.105937       0.5521280     241.4851 16.44858 240.6638 16.71839 0.8213348      23.45337 
1 1 1 3  10 14  o 227.3064 11.62615 3.614960       0.3636886     3.820162       0.5128360     3.407344       0.5158439     232.3098 16.08623 218.9465 17.20095 13.36322       23.55078 
1 1 1 3  10 15  o 281.3097 11.56259 5.522538       0.4491361     5.828725       0.6348342     5.215694       0.6355151     287.1571 16.07499 271.1895 17.05822 15.96762       23.43903 
1 1 1 3  10 16  o 282.6517 11.55563 5.575819       0.4510069     5.489989       0.6335102     5.664024       0.6422191     278.4399 16.55174 282.8483 16.51519 -4.408356      23.38186 
1 1 1 3  10 17  o 369.6434 11.79439 9.541389       0.6019998     9.479591       0.8498989     9.603609       0.8528212     366.3188 16.80235 368.7335 16.74972 -2.414612      23.72492 
1 1 1 3  10 18  o 249.9309 11.58264 4.360574       0.3997288     3.913056       0.5599825     4.825509       0.5707759     234.5466 17.41479 261.2007 15.90105 -26.65402      23.58216 
1 1 1 3  10 19  o 432.8374 12.00247 13.09108       0.7173538     11.66167       0.9928867     14.65204       1.037571      405.6734 17.72495 455.5047 16.49632 -49.83133      24.21368 
1 1 1 3  10 20  o 163.6787 11.69221 1.880330       0.2625180     1.889730       0.3711618     1.870920       0.3713512     162.7120 16.75964 161.8602 16.86283 0.8518219      23.77479 
1 1 1 3  10 21  o 239.1857 11.53877 3.995292       0.3810947     4.340807       0.5428753     3.659594       0.5351073     247.5505 15.96689 226.7390 17.22001 20.81152       23.48341 
1 1 1 3  10 22  o 185.8056 11.62666 2.420981       0.2967980     2.668375       0.4217945     2.178360       0.4177068     193.8424 15.89842 174.4616 17.57891 19.38083       23.70185 
1 1 1 3  10 23  o 222.2967 11.62056 3.461977       0.3554568     3.599836       0.5042840     3.325844       0.5011147     225.1235 16.33361 216.1184 16.92749 9.005142       23.52290 
1 1 1 3  10 24  o 158.8354 13.68348 1.783654       0.2971820     1.703250       0.5176377     1.823185       0.3629586     150.8571 25.77551 159.6987 16.70683 -8.841675      30.71636 
1 1 1 3  10 25  o 270.3760 13.68958 5.146304       0.5094228     3.612879       0.8632487     5.965641       0.6310101     218.8319 29.30438 290.2427 15.80434 -71.41080      33.29450 
1 1 1 3  10 26  o 132.5169 17.60513 1.267116       0.3141695     0.9226428      0.4391001     1.628413       0.4496948     109.4709 28.69818 148.6303 22.62559 -39.15943      36.54453 
1 1 1 3  10 27  o 349.3415 16.79311 8.651666       0.8100640     8.479020       1.141985      8.826515       1.149257      340.1585 24.47675 347.3848 24.10821 -7.226288      34.35575 
1 1 1 3  10 28  o 84.27992 18.71976 0.5255524      0.2121854     0.4913122      0.2993535     0.5601249      0.3008027     81.40080 24.57251 86.34091 24.23776 -4.940109      34.51488 
1 1 1 3  10 29  o 194.6756 16.96362 2.708933       0.4514464     3.491551       0.6461982     1.962796       0.6309577     218.9796 21.65473 159.8578 29.67695 59.12180       36.73756 
1 1 1 3  10 30  f 79.81090 24.24039 0.4719682      0.2906651     0.000000       0.000000      0.4719682      0.2906651     ?        ?        79.81090 24.24039 0.000000       24.24039 
1 1 1 3  10 31  f 208.1808 24.68058 3.214179       0.6956542     0.000000       0.000000      3.214179       0.6956542     ?        ?        208.1808 24.68058 0.000000       24.68058 
1 1 1 3  10 32  o 65.08429 21.48006 0.2969498      0.2241661     0.000000       0.000000      0.2969498      0.2241661     ?        ?        65.08429 21.48006 0.000000       21.48006 
1 1 1 3  10 33  f 67.28908 21.83294 0.3225169      0.2319572     0.000000       0.000000      0.3225169      0.2319572     ?        ?        67.28908 21.83294 0.000000       21.83294 
1 1 1 3  10 34  o 69.01506 22.09771 0.3429753      0.2382141     0.000000       0.000000      0.3429753      0.2382141     ?        ?        69.01506 22.09771 0.000000       22.09771 
1 1 1 3  10 35  f 126.7604 17.54293 1.167274       0.2988296     1.355503       0.4338238     0.9973243      0.4122212     133.9814 24.34613 113.6238 26.72211 20.35755       36.14977 
1 1 1 3  10 36  o 114.2900 17.82610 0.9545392      0.2721417     1.000793       0.3955351     0.9129592      0.3750170     114.1185 25.71702 109.0289 25.38427 5.089638       36.13483 
1 1 1 3  10 37  o 218.5781 13.77747 3.384825       0.4137004     4.485415       0.7354558     2.875385       0.5003687     247.2716 21.76162 199.3949 18.38040 47.87666       28.48521 
1 1 1 3  10 38  o 179.6892 13.83909 2.292752       0.3407316     2.674026       0.6010555     2.112203       0.4136123     189.5088 23.47140 170.8890 17.78911 18.61984       29.45096 
1 1 1 3  10 39  o 178.3395 11.85599 2.242690       0.2902966     2.234408       0.4100481     2.251012       0.4110366     176.0628 17.08160 176.7338 17.05493 -0.6710510     24.13818 
1 1 1 3  10 40  o 128.5364 12.24989 1.171633       0.2147874     0.9220185      0.3022746     1.426198       0.3052579     111.2264 20.43442 140.7085 15.99544 -29.48211      25.95033 
1 1 1 3  10 41  o 210.1219 11.88431 3.111271       0.3433995     2.569277       0.4801214     3.678921       0.4913538     188.0259 18.74225 226.8412 15.78515 -38.81526      24.50394 
1 1 1 3  10 42  o 64.89026 15.69597 0.3112407      0.1391049     0.3293587      0.1737198     0.2788641      0.2322252     66.59989 18.31800 63.70794 21.86936 2.891953       28.52750 
1 1 1 3  10 43  o 258.8908 13.62915 4.748586       0.4855020     4.394879       0.5937446     5.462270       0.8433954     246.9874 17.52327 271.7869 22.68038 -24.79944      28.66120 
1 1 1 3  10 44  o 116.2000 14.48787 0.9706455      0.2274105     0.9547052      0.2814146     1.000646       0.3860642     113.8470 18.53944 113.9371 25.20681 -0.9008026E-01 31.29048 
1 1 1 3  10 45  o 271.6218 13.68364 5.228960       0.5115733     5.439377       0.6317996     4.828362       0.8717532     275.3255 16.69752 253.2832 25.26287 22.04237       30.28233 
1 1 1 3  10 46  o 124.2422 14.31668 1.107316       0.2411186     1.235532       0.2996740     0.8719171      0.4060511     130.3507 17.05869 105.3417 27.58808 25.00895       32.43610 
1 1 1 3  10 47  o 87.41862 15.27255 0.5581068      0.1776445     0.6325447      0.2226737     0.4277909      0.2946257     92.31470 18.11562 76.08160 24.59795 16.23309       30.54889 
1 1 1 3  10 48  o 91.33760 15.05838 0.6074551      0.1832983     0.5509345      0.2310575     0.7034159      0.3010673     85.50619 19.93684 95.83658 23.03575 -10.33039      30.46511 
1 1 1 3  10 49  o 229.2903 13.73373 3.734169       0.4328207     3.290123       0.5301116     4.622094       0.7496203     212.9254 18.20528 249.9934 21.93751 -37.06801      28.50766 
1 1 1 3  10 50  o 69.46646 16.13274 0.3579804      0.1517822     0.2627985      0.1902469     0.5246556      0.2517537     60.74250 19.77588 83.02873 21.71256 -22.28624      29.36871 
1 1 1 3  10 51  o 79.66418 15.61017 0.4670887      0.1655743     0.4677687      0.2082044     0.4659187      0.2730971     78.82742 19.28627 78.42857 23.42411 0.3988571      30.34220 
1 1 1 3  10 52  o 103.0314 15.13591 0.7705212      0.2089170     0.7699763      0.2605651     0.7715021      0.3495853     101.5591 19.28587 99.52069 25.36456 2.038406       31.86386 
1 1 1 3  10 53  o 251.3692 13.81688 4.491143       0.4777383     4.043003       0.5849766     5.388630       0.8278380     236.0599 18.08396 269.3000 22.46748 -33.24004      28.84125 
1 1 1 3  10 54  o 88.77795 15.96117 0.5789923      0.1884694     0.6692182      0.2372336     0.4246075      0.3103222     94.65181 18.81410 75.97176 25.28263 18.68005       31.51478 
1 1 1 3  10 55  o 233.8178 12.21507 3.864310       0.3930078     4.613710       0.5627415     3.150793       0.5491034     253.3862 16.16811 207.3949 19.39959 45.99127       25.25375 
1 1 1 3  10 56  o 215.4114 14.34662 3.311406       0.4242923     3.532293       0.5148453     2.843814       0.7490759     221.0848 16.99487 190.0269 29.50469 31.05797       34.04926 
1 1 1 3  10 57  o 171.6309 14.97422 2.114226       0.3513224     2.479310       0.4280402     1.360579       0.6149963     185.0037 16.94406 127.5483 34.21227 57.45542       38.17827 
1 1 1 3  10 58  o 270.2433 14.61917 5.215638       0.5434976     4.428977       0.6535416     6.979674       0.9786633     245.8635 19.40828 305.1116 23.40778 -59.24811      30.40733 
1 1 1 3  10 59  o 111.1153 16.40218 0.9036732      0.2440930     0.9146409      0.2891225     0.8764570      0.4554469     110.5108 19.66781 104.0170 30.03362 6.493866       35.90043 
1 1 1 3  10 60  o 68.76923 19.16559 0.3559937      0.1887928     0.1617311      0.2184451     0.9293876      0.3752963     54.27091 20.80726 108.7446 25.44513 -54.47371      32.86939 
1 1 1 3  10 61  o 104.0732 17.87573 0.8050680      0.2476306     0.5072793      0.2880611     1.648194       0.4847043     81.00146 24.02661 145.8533 24.96464 -64.85187      34.64840 
1 1 1 3  10 62  o 129.9403 15.77490 1.229948       0.2772366     1.524830       0.3256873     0.4540812      0.5282871     144.4612 16.63075 82.61234 32.17099 61.84888       36.21540 
1 1 1 3  10 63  o 117.5056 16.07290 1.012661       0.2539525     1.370382       0.3006963     0.1228288      0.4742526     136.8975 16.22284 67.36886 28.78082 69.52868       33.03810 
1 1 1 3  10 64  o 88.08871 17.43230 0.5832036      0.2045311     0.8041477      0.2374436     -0.5218934E-01 0.4026618     103.9393 17.14174 57.00261 25.37518 46.93670       30.62252 
1 1 1 3  10 65  o 74.24042 23.65836 0.4266845      0.2732975     0.5804660      0.3743026     0.2510841      0.3999756     84.93508 27.74308 68.14501 27.51674 16.79007       39.07492 
1 1 1 3  10 66  o 169.8870 20.15986 2.192426       0.4636887     2.611231       0.6495904     1.757338       0.6620981     179.4930 27.04897 140.0028 34.47723 39.49022       43.82153 
1 1 1 3  10 67  f 63.07872 14.19774 0.2982765      0.1206788     0.2727508      0.1608449     0.3311516      0.1825371     59.97874 17.99089 65.56146 19.03779 -5.582726      26.19370 
1 1 1 3  10 68  o 116.8036 12.66896 0.9907013      0.2010556     1.056085       0.2836767     0.9247065      0.2849991     117.8555 18.00270 109.2326 19.61623 8.622917       26.62505 
1 1 1 3  10 69  o 44.67252 14.14001 0.1449380      0.9775284E-01 0.1268260      0.1434500     0.1606399      0.1335655     45.45313 16.98706 47.95341 16.57838 -2.500286      23.73611 
1 1 1 3  10 70  o 253.4491 12.26188 4.638261       0.4291268     4.886431       0.8481422     4.552871       0.4975058     242.0900 25.76804 248.5442 14.55981 -6.454224      29.59696 
1 1 1 3  10 71  o 49.26031 14.82722 0.1828934      0.1091106     0.3042207      0.2294313     0.1474333      0.1240347     62.58810 21.72295 45.87639 15.96937 16.71172       26.96121 
1 1 1 3  10 72  o 113.6656 11.58638 0.9425782      0.1793080     1.072965       0.2731303     0.8438216      0.2377041     117.7090 17.32238 104.3331 17.09173 13.37586       24.33500 
1 1 1 3  10 73  o 78.50971 12.30364 0.4587027      0.1289989     0.4085712      0.1923899     0.4996499      0.1738758     70.82993 19.19309 80.00735 16.29238 -9.177422      25.17571 
1 1 1 3  10 74  o 81.40442 13.04602 0.4979970      0.1416914     0.5058933      0.2135415     0.4917859      0.1893893     78.32618 19.74871 78.27549 17.91019 0.5068970E-01  26.66058 
1 1 1 3  10 75  o 43.61379 12.58765 0.1436380      0.8001915E-01 0.1841760      0.1202038     0.1113772      0.1072322     49.12100 15.69398 40.80847 14.78253 8.312531       21.55978 
1 1 1 3  10 76  o 54.49763 14.98086 0.2323661      0.1162279     0.1768597      0.1722510     0.2787624      0.1574822     50.08120 18.63452 58.86124 17.83485 -8.780041      25.79394 
1 1 1 3  10 77  o 94.83479 12.82432 0.6751003      0.1636272     0.8551715      0.2463303     0.5329019      0.2188986     103.3036 17.91851 79.73593 19.93493 23.56763       26.80437 
1 1 1 3  10 78  o 176.9729 11.30229 2.294620       0.2747504     2.624387       0.4229154     2.053801       0.3614058     182.9963 16.92865 162.4379 16.33420 20.55843       23.52414 
1 1 1 3  10 79  o 64.84869 12.16294 0.3181463      0.1049116     0.3532343      0.1494058     0.2840172      0.1473503     66.36251 16.39915 59.30272 17.07144 7.059792       23.67205 
1 1 1 3  10 80  o 132.6543 10.77352 1.286957       0.1956360     1.444940       0.2779486     1.131846       0.2754109     137.2408 14.90678 119.4253 17.19702 17.81547       22.75850 
1 1 1 3  10 81  o 81.12499 13.28332 0.5007467      0.1436475     0.6990921      0.2031057     0.3022353      0.2031907     94.20826 16.19721 60.45979 20.45944 33.74847       26.09479 
1 1 1 3  10 82  o 72.83343 13.31670 0.4053852      0.1289908     0.5194883      0.1822430     0.2908363      0.1825987     80.50381 16.93123 59.54752 19.37368 20.95629       25.72948 
1 1 1 3  10 83  o 85.49065 12.31765 0.5481324      0.1412099     0.5625920      0.2005032     0.5339018      0.1989082     83.14346 17.98721 80.74873 18.26657 2.394722       25.63606 
1 1 1 3  10 84  o 89.99679 12.09596 0.6055250      0.1465102     0.6351111      0.2082125     0.5765094      0.2061955     88.65395 17.62935 83.87133 18.31739 4.782616       25.42284 
1 1 1 3  10 85  o 58.41136 14.19952 0.2674422      0.1134128     0.2777093      0.1615739     0.2574705      0.1592315     58.25975 18.14114 56.35218 18.06913 1.907562       25.60458 
1 1 1 3  10 86  o 71.31827 13.19921 0.3911532      0.1251958     0.3652668      0.1771440     0.4169867      0.1769632     65.93041 18.63248 70.82026 18.04468 -4.889847      25.93800 
1 1 1 3  10 87  o 81.51814 13.72232 0.5150794      0.1489747     0.2325586      0.1965529     0.8964823      0.2283738     54.04193 19.94570 106.0286 16.10512 -51.98668      25.63603 
1 1 1 3  10 88  o 70.72124 14.88320 0.4010759      0.1407393     0.3128404      0.1861760     0.5187370      0.2149900     59.95791 19.56524 76.54118 20.08821 -16.58327      28.04166 
1 1 1 3  10 89  o 98.93148 15.39843 0.7913975      0.2035109     0.7368983      0.2345707     0.9572837      0.4092455     91.87676 19.11224 90.72719 28.95474 1.149574       34.69373 
1 1 1 3  10 90  o 49.39962 18.40800 0.2030869      0.1682106     0.5133208E-01  0.2076235     0.4929639      0.2869540     41.79354 18.43121 67.92151 24.23328 -26.12796      30.44604 
1 1 1 3  10 91  f 98.21688 24.92492 1.043560       0.3385956     1.043560       0.3385956     0.000000       0.000000      98.21688 24.92492 ?        ?        0.000000       24.92492 
1 1 1 3  10 92  o 70.82692 24.39634 0.6063490      0.2891122     0.6063490      0.2891122     0.000000       0.000000      70.82692 24.39634 ?        ?        0.000000       24.39634 
1 1 1 3  10 93  o 95.32077 34.44038 1.889052       0.5815110     1.889052       0.5815110     0.000000       0.000000      95.32077 34.44038 ?        ?        0.000000       34.44038 
1 1 1 3  10 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 11  o 210.2077 24.34465 3.291378       0.6935485     3.291378       0.6935485     0.000000       0.000000      210.2077 24.34465 ?        ?        0.000000       24.34465 
1 1 1 3  11 12  o 279.6529 16.89835 5.595450       0.6494666     5.595450       0.6494666     0.000000       0.000000      279.6529 16.89835 ?        ?        0.000000       16.89835 
1 1 1 3  11 13  o 290.4925 16.86393 6.036461       0.6735327     6.036461       0.6735327     0.000000       0.000000      290.4925 16.86393 ?        ?        0.000000       16.86393 
1 1 1 3  11 14  f 316.4374 16.94205 7.163527       0.7375872     7.163527       0.7375872     0.000000       0.000000      316.4374 16.94205 ?        ?        0.000000       16.94205 
1 1 1 3  11 15  o 157.7060 13.94079 1.769066       0.3004537     1.359758       0.3624048     2.668844       0.5373242     135.9836 19.88847 190.9006 20.71657 -54.91696      28.71807 
1 1 1 3  11 16  o 274.6167 13.55848 5.319994       0.5141335     5.453742       0.6282164     5.048714       0.8946956     276.1670 16.55032 259.8407 25.25529 16.32632       30.19507 
1 1 1 3  11 17  o 193.8732 11.92823 2.648365       0.3177747     2.506741       0.4447266     2.796104       0.4542267     186.4612 17.47687 197.3010 16.83374 -10.83980      24.26553 
1 1 1 3  11 18  o 437.9312 12.08803 13.47294       0.7309695     12.79925       1.020456      14.18291       1.047572      422.8921 17.47538 445.5626 17.02695 -22.67056      24.39889 
1 1 1 3  11 19  o 158.5369 12.02040 1.775114       0.2611822     1.380893       0.3635726     2.195509       0.3754483     137.0163 19.79040 175.0999 15.69497 -38.08357      25.25850 
1 1 1 3  11 20  o 274.1611 11.75053 5.276670       0.4448374     4.303271       0.6179830     6.323370       0.6408290     244.0262 18.47714 297.8612 15.63548 -53.83502      24.20481 
1 1 1 3  11 21  o 244.2593 11.90349 4.190598       0.4014796     3.856320       0.5634476     4.535354       0.5722097     231.3038 17.77745 251.6234 16.56152 -20.31964      24.29654 
1 1 1 3  11 22  o 529.5992 12.45123 19.73429       0.9105374     22.08722       1.328166      17.64779       1.250710      555.4395 17.31720 495.4823 18.28061 59.95715       25.18067 
1 1 1 3  11 23  o 152.3128 11.98569 1.639735       0.2500428     1.932193       0.3564947     1.356544       0.3508018     164.0251 15.94138 135.9394 19.22491 28.08571       24.97448 
1 1 1 3  11 24  o 300.7653 11.75616 6.353072       0.4882374     6.755517       0.6959589     5.963072       0.6851127     307.2606 16.46345 288.0985 17.30215 19.16208       23.88325 
1 1 1 3  11 25  o 136.5899 12.11214 1.321414       0.2260733     1.501761       0.3218462     1.145764       0.3176273     144.2230 16.45591 124.7973 19.03463 19.42570       25.16176 
1 1 1 3  11 26  o 188.3585 11.77146 2.501407       0.3046285     2.387416       0.4293104     2.617006       0.4323251     181.8293 17.30780 190.7746 16.57641 -8.945297      23.96533 
1 1 1 3  11 27  o 88.93726 13.16186 0.5692366      0.1567552     0.4087965      0.2202992     0.7337790      0.2230978     73.84454 20.74680 100.1297 16.72596 -26.28513      26.64934 
1 1 1 3  11 28  o 216.4017 11.80694 3.299658       0.3514730     2.607848       0.4905344     4.029531       0.5038486     189.2260 19.03188 237.5573 15.44397 -48.33134      24.50977 
1 1 1 3  11 29  o 165.6491 11.95707 1.938532       0.2716585     1.670270       0.3809582     2.216074       0.3874913     151.2321 18.63730 175.5799 16.16418 -24.34778      24.67042 
1 1 1 3  11 30  o 296.8231 13.72344 6.230325       0.5624691     7.393991       0.9948674     5.683611       0.6819155     316.0422 22.95389 280.8357 17.67509 35.20651       28.97050 
1 1 1 3  11 31  o 75.36404 15.92920 0.4191798      0.1605791     0.4212435      0.2859921     0.4182296      0.1940557     75.50561 24.21641 74.72231 18.81847 0.7833023      30.66870 
1 1 1 3  11 32  o 194.1908 13.83480 2.680841       0.3685453     2.599638       0.6425869     2.720646       0.4498944     184.8324 25.88792 194.2554 16.94215 -9.422974      30.93899 
1 1 1 3  11 33  o 233.2352 13.82202 3.862375       0.4431623     5.122004       0.7919388     3.288102       0.5347238     263.4065 21.97403 212.8789 18.37105 50.52766       28.64181 
1 1 1 3  11 34  o 235.6299 13.80445 3.942392       0.4471857     4.484931       0.7876152     3.684296       0.5432377     245.1389 23.55840 225.8404 17.55810 19.29842       29.38171 
1 1 1 3  11 35  o 178.6433 14.20405 2.275698       0.3474848     0.3994158      0.5913561     3.265201       0.4294460     84.06448 33.62913 213.9802 14.62196 -129.9157      36.67042 
1 1 1 3  11 36  o 384.2489 14.18914 10.47012       0.7528469     6.783127       1.248556      12.57645       0.9437003     293.6959 31.26817 419.3667 16.29679 -125.6707      35.26023 
1 1 1 3  11 37  o 215.3589 13.87115 3.298125       0.4102957     2.871656       0.7143491     3.508075       0.5012160     192.8787 27.60950 220.7903 16.56084 -27.91164      32.19543 
1 1 1 3  11 38  o 96.37431 15.67004 0.6779063      0.2013662     0.8467571      0.3626755     0.6026564      0.2421138     104.3304 25.41073 89.38573 20.10352 14.94469       32.40150 
1 1 1 3  11 39  o 104.6535 15.36844 0.7954801      0.2154705     0.9920707      0.3898722     0.7090257      0.2585438     112.9637 25.58796 97.15308 19.94077 15.81060       32.44038 
1 1 1 3  11 40  o 45.25313 15.86598 0.1316109      0.1225388     0.3384822      0.2417420     0.6007514E-01  0.1421555     68.31513 22.29469 40.81087 16.43073 27.50426       27.69516 
1 1 1 3  11 41  o 89.20171 16.15287 0.5849553      0.1916326     0.4367829      0.3491344     0.6488420      0.2292525     77.69244 26.80669 93.31021 18.44669 -15.61777      32.54042 
1 1 1 3  11 42  o 254.5677 14.12203 4.612131       0.4944602     7.025528       0.9061957     3.588975       0.5900359     308.6450 21.39506 221.4552 19.49414 87.18977       28.94426 
1 1 1 3  11 43  o 91.26492 16.04350 0.6114860      0.1948016     0.7852017E-01  0.3554017     0.8403700      0.2329043     59.57756 25.16130 107.2851 16.22873 -47.70758      29.94099 
1 1 1 3  11 44  o 257.4224 12.09679 4.670208       0.4299860     3.343142       0.5965297     6.105393       0.6203539     212.9534 20.54143 292.1046 15.43503 -79.15120      25.69417 
1 1 1 3  11 45  o 188.7594 12.20168 2.522179       0.3163268     1.727519       0.4416191     3.359497       0.4533176     151.9470 21.66156 216.5197 15.26002 -64.57269      26.49701 
1 1 1 3  11 46  o 96.48600 13.45132 0.6711621      0.1743376     0.5455755      0.2433785     0.8035164      0.2498501     84.65489 20.93709 104.1669 18.02286 -19.51202      27.62581 
1 1 1 3  11 47  o 55.96188 15.49260 0.2308050      0.1237970     0.3169790      0.1734112     0.1412418      0.1767885     65.19562 18.43873 49.99203 18.82363 15.20359       26.34987 
1 1 1 3  11 48  o 147.8643 12.45989 1.554845       0.2520284     1.586529       0.3525605     1.521734       0.3604132     147.2614 17.69244 143.7729 18.58992 3.488449       25.66335 
1 1 1 3  11 49  o 204.4042 13.89494 2.982666       0.3898509     2.926058       0.4800472     3.092317       0.6681190     200.5348 17.51196 201.4559 24.52394 -0.9210663     30.13457 
1 1 1 3  11 50  o 142.8611 14.29321 1.467496       0.2781728     1.480917       0.3444046     1.442309       0.4717953     141.9281 17.97665 135.7136 26.12440 6.214508       31.71189 
1 1 1 3  11 51  o 124.2262 14.75245 1.116830       0.2481088     1.271347       0.3102552     0.8427191      0.4132324     131.4719 17.52681 102.1734 28.31211 29.29848       33.29812 
1 1 1 3  11 52  o 138.5760 14.49622 1.386052       0.2732781     1.320096       0.3404590     1.505517       0.4582005     133.1569 19.06044 139.1413 24.75581 -5.984390      31.24341 
1 1 1 3  11 53  o 108.5720 15.01955 0.8600799      0.2191406     0.6884547      0.2725611     1.173854       0.3685374     94.47616 21.39064 123.5636 22.42589 -29.08748      30.99161 
1 1 1 3  11 54  o 84.68260 16.02531 0.5333688      0.1805239     0.3485366      0.2262620     0.8571133      0.2994499     68.06289 21.50917 105.5567 21.27957 -37.49377      30.25665 
1 1 1 3  11 55  o 77.68495 16.62945 0.4540470      0.1729984     0.5288973      0.2182518     0.3275236      0.2837570     83.00630 19.39179 67.74005 24.10542 15.26625       30.93724 
1 1 1 3  11 56  o 51.58576 21.60015 0.7707568E-01  0.2583193     0.7707568E-01  0.2583193     0.000000       0.000000      51.58576 21.60015 ?        ?        0.000000       21.60015 
1 1 1 3  11 57  o 105.7817 29.68579 0.9593075      0.4513005     0.9593075      0.4513005     0.000000       0.000000      105.7817 29.68579 ?        ?        0.000000       29.68579 
1 1 1 3  11 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 59  o 15.05626 7.514761 -0.1669511     0.6364085E-01 -0.1669511     0.6364085E-01 0.000000       0.000000      15.05626 7.514761 ?        ?        0.000000       7.514761 
1 1 1 3  11 60  o 172.7968 26.91063 2.498475       0.6211886     2.498475       0.6211886     0.000000       0.000000      172.7968 26.91063 ?        ?        0.000000       26.91063 
1 1 1 3  11 61  o 117.4454 20.55791 1.092061       0.3212443     1.092061       0.3212443     0.000000       0.000000      117.4454 20.55791 ?        ?        0.000000       20.55791 
1 1 1 3  11 62  o 32.76384 14.21065 -0.3580784E-02 0.1190169     -0.3072990E-02 0.1293599     -0.6380687E-02 0.3037583     34.11079 14.80508 49.86445 22.12648 -15.75366      26.62276 
1 1 1 3  11 63  o 45.79210 14.16280 0.1560749      0.9866667E-01 0.2240063      0.1053129     -0.3317370     0.2822099     54.17008 13.98380 37.99226 18.28009 16.17781       23.01540 
1 1 1 3  11 64  o 45.48497 21.34923 -0.2098190     0.3400812     -0.4208740     0.4697089     0.2271723E-01  0.4930334     49.11173 23.61847 60.31413 27.35590 -11.20240      36.14108 
1 1 1 3  11 65  o 67.51648 19.39414 0.3719156      0.1903588     0.4109381      0.2198495     0.2550271      0.3804990     70.25192 21.02473 63.25626 26.32763 6.995659       33.69249 
1 1 1 3  11 66  o 116.2145 17.23704 1.057089       0.2682215     1.283635       0.3183467     0.5027587      0.4979738     126.9522 18.72224 75.12607 30.57055 51.82616       35.84802 
1 1 1 3  11 67  o 45.31100 16.96862 0.1352856      0.1432819     0.2030421      0.1587343     -0.1627785     0.3329276     51.90580 18.06571 45.69580 21.34330 6.210003       27.96259 
1 1 1 3  11 68  o 94.47967 18.57124 0.7223739      0.2336417     1.085039       0.2815279     -0.8012679E-01 0.4187854     116.6935 18.05476 52.84549 24.42552 63.84797       30.37401 
1 1 1 3  11 69  f 79.04865 19.68644 0.5212196      0.2140681     0.7209705      0.2553829     0.4926858E-01  0.3925509     92.75391 20.48666 55.10102 24.75255 37.65289       32.13085 
1 1 1 3  11 70  o 73.17833 19.44185 0.4474312      0.1997896     0.6650836      0.2372130     -0.8379850E-01 0.3705937     89.42179 19.73953 49.84357 23.01665 39.57822       30.32186 
1 1 1 3  11 71  o 164.4888 13.81316 2.040236       0.3108333     2.345593       0.4430071     1.744135       0.4362404     170.0773 19.19975 142.1525 23.01101 27.92487       29.96893 
1 1 1 3  11 72  f 75.47520 14.52476 0.4420163      0.1458794     0.6042318      0.2444426     0.3522852      0.1818034     83.89746 21.11613 65.08382 19.02840 18.81364       28.42483 
1 1 1 3  11 73  o 195.3402 11.17898 2.793017       0.3002788     3.527494       0.4692318     2.283632       0.3907705     213.3823 16.04284 170.6350 16.80302 42.74728       23.23175 
1 1 1 3  11 74  o 108.3291 12.19126 0.8736251      0.1791919     1.139453       0.2733953     0.6734235      0.2372603     120.1087 16.95620 89.92923 19.65546 30.17949       25.95862 
1 1 1 3  11 75  o 102.5296 12.26284 0.7838719      0.1701666     0.9277317      0.2577169     0.6726719      0.2265822     107.4127 18.01376 90.62477 18.72608 16.78791       25.98388 
1 1 1 3  11 76  o 102.4410 12.24020 0.7825928      0.1697126     0.9774773      0.2599700     0.6378576      0.2240381     110.5967 17.61407 87.94289 19.00408 22.65385       25.91158 
1 1 1 3  11 77  o 98.32717 12.40214 0.7238340      0.1646412     0.9133029      0.2522991     0.5833104      0.2172809     106.6156 17.76287 83.74478 19.19982 22.87077       26.15631 
1 1 1 3  11 78  o 64.15112 14.49525 0.3228408      0.1253758     0.3807909      0.1884909     0.2768573      0.1679054     67.23756 19.29431 58.13580 18.54568 9.101765       26.76215 
1 1 1 3  11 79  o 99.38140 12.55222 0.7444276      0.1684103     0.7777066      0.2566856     0.7192749      0.2231553     95.81108 20.04600 93.85656 17.87161 1.954521       26.85585 
1 1 1 3  11 80  o 15.86986 7.713732 -0.8911252E-01 0.5354885E-01 -0.1153990     0.8579127E-01 -0.7233497E-01 0.6853956E-01 20.99938 10.09762 19.93054 9.425288 1.068836       13.81297 
1 1 1 3  11 81  o 73.93401 13.89097 0.4290196      0.1366057     0.4756286      0.2075278     0.3933828      0.1814641     73.49862 19.94126 67.55677 18.77652 5.941849       27.38999 
1 1 1 3  11 82  o 54.57510 16.76137 0.2497308      0.1384701     0.3581338      0.1808937     0.9631826E-01  0.2151956     63.66200 19.07551 45.32447 19.37580 18.33752       27.19001 
1 1 1 3  11 83  o 44.03670 16.38609 0.1472285      0.1331940     0.4206664      0.1993685     -0.7319827E-01 0.1790026     67.37167 19.98949 34.29534 15.89281 33.07633       25.53744 
1 1 1 3  11 84  o 67.52338 20.33122 0.4392564      0.2051257     0.6514349      0.2447821     -0.6112955E-01 0.3759080     81.66277 21.43615 46.08118 21.87399 35.58158       30.62646 
1 1 1 3  11 85  o 76.40692 23.74645 0.6519675      0.2769960     0.6519675      0.2769960     0.000000       0.000000      76.40692 23.74645 ?        ?        0.000000       23.74645 
1 1 1 3  11 86  o 54.52555 23.22767 0.3431279      0.3073072     0.3431279      0.3073072     0.000000       0.000000      54.52555 23.22767 ?        ?        0.000000       23.22767 
1 1 1 3  11 87  o 89.73159 33.35998 1.732145       0.5518208     1.732145       0.5518208     0.000000       0.000000      89.73159 33.35998 ?        ?        0.000000       33.35998 
1 1 1 3  11 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 1   o 141.2867 25.61710 1.533069       0.4813652     1.533069       0.4813652     0.000000       0.000000      141.2867 25.61710 ?        ?        0.000000       25.61710 
1 1 1 3  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 3   o 103.2408 25.94460 0.8307326      0.3694177     0.8307326      0.3694177     0.000000       0.000000      103.2408 25.94460 ?        ?        0.000000       25.94460 
1 1 1 3  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 7   o 126.6475 25.72385 1.239497       0.4345022     0.000000       0.000000      1.239497       0.4345022     ?        ?        126.6475 25.72385 0.000000       25.72385 
1 1 1 3  12 8   o 54.72738 20.38091 0.1762680      0.2061377     0.000000       0.000000      0.1762680      0.2061377     ?        ?        54.72738 20.38091 0.000000       20.38091 
1 1 1 3  12 9   o 84.21430 24.73081 0.5430288      0.3064927     0.000000       0.000000      0.5430288      0.3064927     ?        ?        84.21430 24.73081 0.000000       24.73081 
1 1 1 3  12 10  o 95.81701 25.49008 0.7135799      0.3431393     0.000000       0.000000      0.7135799      0.3431393     ?        ?        95.81701 25.49008 0.000000       25.49008 
1 1 1 3  12 11  o 120.0510 17.90418 1.057487       0.2877204     1.278727       0.4081731     0.8389895      0.4056350     129.6594 23.67051 103.1123 27.83900 26.54717       36.54180 
1 1 1 3  12 12  o 95.39314 18.82426 0.6784230      0.2391500     0.4964884      0.3389928     0.8586855      0.3374311     81.31631 26.39437 105.7493 23.69565 -24.43298      35.47036 
1 1 1 3  12 13  o 65.16721 22.53287 0.2930943      0.2467465     0.000000       0.000000      0.2930943      0.2467465     ?        ?        65.16721 22.53287 0.000000       22.53287 
1 1 1 3  12 14  o 196.2574 17.11920 2.783403       0.4592797     2.100747       0.6417578     3.500113       0.6575700     163.2850 29.55130 217.0639 22.25357 -53.77885      36.99326 
1 1 1 3  12 15  o 54.10631 18.00041 0.2027160      0.1573061     0.4925950      0.2303220     -0.5072410E-01 0.2153598     80.65781 20.60513 42.29880 18.70671 38.35901       27.83006 
1 1 1 3  12 16  o 140.9027 17.80817 1.449414       0.3387422     2.113089       0.4846447     0.8155028      0.4736521     168.7277 21.27465 101.0683 30.99320 67.65942       37.59241 
1 1 1 3  12 17  o 67.25255 19.32026 0.3367882      0.1889027     0.7018504      0.2698305     -0.1411342E-01 0.2645454     96.33348 20.88698 48.65272 21.14436 47.68076       29.72120 
1 1 1 3  12 18  o 172.6031 17.54421 2.162787       0.4123263     3.164492       0.5926433     1.222993       0.5740366     207.0258 21.02315 121.9063 33.20305 85.11953       39.29905 
1 1 1 3  12 19  o 46.14746 16.81387 0.1281408      0.1390184     0.2267849      0.1930697     0.2193318E-01  0.2003349     57.82610 19.93544 44.39488 18.82774 13.43121       27.42090 
1 1 1 3  12 20  o 111.4751 14.80230 0.8977943      0.2222138     0.8809008      0.2703991     0.9329373      0.3900013     109.0574 18.62483 109.2163 26.19742 -0.1589584     32.14326 
1 1 1 3  12 21  o 103.3778 14.93933 0.7747165      0.2070675     0.7683749      0.2504677     0.7884097      0.3680490     101.7276 18.51300 100.3255 26.26106 1.402092       32.13059 
1 1 1 3  12 22  o 255.8729 14.11641 4.658402       0.4968247     3.164276       0.5888523     8.349668       0.9255508     207.0347 20.88331 338.0612 19.91542 -131.0265      28.85718 
1 1 1 3  12 23  o 146.1252 14.13778 1.528165       0.2816966     1.682164       0.3436303     1.212632       0.4918762     152.3926 16.59858 123.1958 29.33580 29.19681       33.70611 
1 1 1 3  12 24  o 169.7253 14.09908 2.057012       0.3274358     2.559521       0.4021401     1.068503       0.5640211     188.7873 15.56524 113.8209 33.58387 74.96645       37.01558 
1 1 1 3  12 25  o 101.2864 12.77316 0.7350920      0.1746710     0.8359094      0.2470959     0.6343948      0.2469485     106.5883 17.38834 91.69787 20.06121 14.89045       26.54819 
1 1 1 3  12 26  o 56.18238 14.46496 0.2327019      0.1128872     0.1355874      0.1587804     0.3319649      0.1605272     48.26315 17.90428 66.71327 17.28571 -18.45013      24.88693 
1 1 1 3  12 27  f 87.00523 13.43375 0.5474835      0.1561939     0.5200316      0.2202363     0.5752646      0.2215526     83.01727 19.53761 87.57313 18.87776 -4.555862      27.16777 
1 1 1 3  12 28  o 53.13573 13.95951 0.2075772      0.1037509     -0.2899208E-01 0.1441892     0.4615591      0.1494015     35.15063 15.43530 79.54697 14.11881 -44.39633      20.91863 
1 1 1 3  12 29  o 171.7234 12.10250 2.088444       0.2851379     1.412237       0.3982649     2.799568       0.4084185     137.0830 21.76781 197.6418 15.07921 -60.55875      26.48056 
1 1 1 3  12 30  o 177.4975 12.21844 2.232102       0.2976408     1.310145       0.4123556     3.234915       0.4300576     130.9539 23.67567 212.6700 14.73560 -81.71608      27.88684 
1 1 1 3  12 31  o 63.26410 14.49760 0.2956367      0.1239334     0.1735436      0.1728747     0.4247336      0.1777641     52.29566 18.79320 75.35835 17.43036 -23.06268      25.63204 
1 1 1 3  12 32  o 173.0901 12.18075 2.123866       0.2892723     2.352702       0.4084903     1.893676       0.4096980     180.2703 16.59681 160.5060 18.84418 19.76427       25.11089 
1 1 1 3  12 33  o 186.8030 12.10039 2.472104       0.3104419     2.895652       0.4395911     2.050707       0.4384732     200.3766 16.02180 166.7344 19.40810 33.64218       25.16689 
1 1 1 3  12 34  o 223.1536 11.95810 3.522956       0.3671314     3.941277       0.5213274     3.111387       0.5171026     233.7323 16.25414 206.3333 18.34093 27.39899       24.50687 
1 1 1 3  12 35  o 242.8762 12.02118 4.164806       0.4031532     5.272270       0.5779293     3.115065       0.5626665     270.8883 15.51520 205.2168 20.11498 65.67151       25.40342 
1 1 1 3  12 36  o 102.1767 13.28208 0.7523437      0.1829628     0.5489228      0.2560981     0.9644089      0.2614830     84.45049 21.80953 114.4828 17.06233 -30.03234      27.69077 
1 1 1 3  12 37  o 200.3152 14.38461 2.877292       0.3952287     0.5430869      0.6647834     4.153373       0.4915298     89.92033 35.75887 240.5437 14.87145 -150.6234      38.72799 
1 1 1 3  12 38  o 52.78169 16.85905 0.1993719      0.1387203     0.1020278      0.2455287     0.2450147      0.1681254     52.45500 21.41922 58.14112 18.55893 -5.686119      28.34108 
1 1 1 3  12 39  o 131.6213 12.78778 1.240475       0.2294786     0.7697024      0.3179175     1.752571       0.3315768     99.15147 23.56741 155.3647 15.66991 -56.21324      28.30139 
1 1 1 3  12 40  o 71.96396 17.27154 0.3906972      0.1694428     0.1161632      0.2928181     0.5289032      0.2077606     56.40176 23.25215 83.52962 18.50058 -27.12787      29.71420 
1 1 1 3  12 41  o 69.16867 21.08139 0.3634320      0.2195640     1.001366       0.2987075     -0.3863330     0.3238329     115.1636 19.47881 41.54364 19.88147 73.61998       27.83337 
1 1 1 3  12 42  o 44.27821 17.93876 0.7432879E-01  0.1705992     0.3139188      0.2274315     -0.2339262     0.2579713     65.19686 21.64166 39.41737 18.53101 25.77949       28.49140 
1 1 1 3  12 43  o 136.3487 20.48501 1.416368       0.3737550     3.065125       0.5392035     -0.1084459     0.5185407     202.1709 19.55953 61.95837 28.08286 140.2125       34.22313 
1 1 1 3  12 44  o 103.4901 21.93227 0.8404351      0.3036787     1.608770       0.4335952     0.1006835      0.4254535     143.7047 22.59715 62.99042 27.09402 80.71426       35.28055 
1 1 1 3  12 45  o 72.80002 26.87343 0.3895941      0.3568318     0.000000       0.000000      0.3895941      0.3568318     ?        ?        72.80002 26.87343 0.000000       26.87343 
1 1 1 3  12 46  o 82.51595 25.57351 0.5576144      0.3215140     0.000000       0.000000      0.5576144      0.3215140     ?        ?        82.51595 25.57351 0.000000       25.57351 
1 1 1 3  12 47  o 98.09171 26.69419 0.8129327      0.3712213     0.000000       0.000000      0.8129327      0.3712213     ?        ?        98.09171 26.69419 0.000000       26.69419 
1 1 1 3  12 48  o 54.50921 21.06217 0.1794499      0.2250732     0.000000       0.000000      0.1794499      0.2250732     ?        ?        54.50921 21.06217 0.000000       21.06217 
1 1 1 3  12 49  o 71.13808 20.62127 0.4039218      0.2143319     0.3081497      0.3242514     0.4782382      0.2856306     66.06170 25.34503 76.23633 24.17484 -10.17463      35.02561 
1 1 1 3  12 50  o 93.39194 14.52331 0.6527469      0.1812039     0.3675291      0.2442975     1.001586       0.2701739     67.86606 22.42508 114.1551 17.71406 -46.28901      28.57748 
1 1 1 3  12 51  f 36.64649 17.69666 -0.3491859     0.2702495     0.2942075      0.3699632     -1.085269      0.3957161     66.04611 26.53617 35.08627 17.67937 30.95984       31.88618 
1 1 1 3  12 52  o 86.40994 18.01490 0.5882518      0.2079834     0.6387695      0.3647876     0.5639207      0.2531624     84.41273 27.37881 82.36470 21.88651 2.048027       35.05165 
1 1 1 3  12 53  o 107.9022 13.78129 0.8691050      0.2006426     0.9454220      0.2784159     0.7866438      0.2894062     109.0239 19.19524 97.17612 22.07096 11.84775       29.25038 
1 1 1 3  12 54  f 83.38949 15.25305 0.5341951      0.1691607     0.6273886      0.2346046     0.4332728      0.2441389     87.71584 19.83468 71.71243 22.29463 16.00341       29.84066 
1 1 1 3  12 55  o 87.90550 14.60076 0.5891031      0.1710090     0.6696445      0.2390312     0.5046571      0.2447569     90.61246 19.66858 77.08565 21.94232 13.52681       29.46725 
1 1 1 3  12 56  o 48.61986 16.35497 0.1765149      0.1298346     0.1710384      0.1637840     0.1857761      0.2129877     49.45422 18.21491 52.81384 20.46596 -3.359627      27.39778 
1 1 1 3  12 57  o 132.5948 15.56817 1.347808       0.2796139     0.9313383      0.3446724     2.149510       0.4782129     102.4014 24.66855 160.2329 22.21117 -57.83147      33.19448 
1 1 1 3  12 58  o 129.9977 15.65560 1.300446       0.2753725     1.158224       0.3405184     1.569238       0.4681293     117.2316 21.83931 131.1855 26.74979 -13.95392      34.53269 
1 1 1 3  12 59  o 120.8959 15.98096 1.133265       0.2602403     0.8569999      0.3200765     1.672087       0.4470066     98.42834 23.80965 138.2011 24.31186 -39.77273      34.02890 
1 1 1 3  12 60  o 89.29605 17.73297 0.6413760      0.2109406     0.5123065      0.2616068     0.8812482      0.3566377     76.13764 22.96828 97.37986 26.02475 -21.24222      34.71065 
1 1 1 3  12 61  f 128.4771 15.94175 1.281780       0.2767366     1.132750       0.3422386     1.563279       0.4703611     114.8449 22.38581 129.5911 27.15465 -14.74619      35.19232 
1 1 1 3  12 62  o 122.0632 20.93207 1.248053       0.3401056     1.248053       0.3401056     0.000000       0.000000      122.0632 20.93207 ?        ?        0.000000       20.93207 
1 1 1 3  12 63  o 128.6461 20.50754 1.376084       0.3520594     1.376084       0.3520594     0.000000       0.000000      128.6461 20.50754 ?        ?        0.000000       20.50754 
1 1 1 3  12 64  o 52.16570 19.86858 0.1936554      0.1983621     0.1936554      0.1983621     0.000000       0.000000      52.16570 19.86858 ?        ?        0.000000       19.86858 
1 1 1 3  12 65  o 158.0755 20.02296 2.052977       0.4272515     2.052977       0.4272515     0.000000       0.000000      158.0755 20.02296 ?        ?        0.000000       20.02296 
1 1 1 3  12 66  o 64.84308 21.24277 0.3564482      0.2193902     0.3564482      0.2193902     0.000000       0.000000      64.84308 21.24277 ?        ?        0.000000       21.24277 
1 1 1 3  12 67  o 110.5978 21.69688 1.041813       0.3195097     1.041813       0.3195097     0.000000       0.000000      110.5978 21.69688 ?        ?        0.000000       21.69688 
1 1 1 3  12 68  o 80.12926 23.05265 0.5731450      0.2687646     0.5731450      0.2687646     0.000000       0.000000      80.12926 23.05265 ?        ?        0.000000       23.05265 
1 1 1 3  12 69  o 198.4139 20.53066 3.271169       0.5543506     3.271169       0.5543506     0.000000       0.000000      198.4139 20.53066 ?        ?        0.000000       20.53066 
1 1 1 3  12 70  o 82.71214 20.52114 0.5873398      0.2332513     0.7260788      0.2719589     0.2013479      0.4536211     91.03181 21.90192 61.15000 27.09131 29.88182       34.83724 
1 1 1 3  12 71  o 38.63315 19.01464 -0.5258070     0.3572040     -1.010284      0.4996151     -0.1919812E-01 0.5108994     40.71476 20.42777 56.63726 26.44900 -15.92250      33.41920 
1 1 1 3  12 72  o 70.56971 20.22403 0.4364421      0.2072162     0.5174607      0.2425214     0.2173461      0.3988182     75.52553 21.94771 58.90652 25.77349 16.61900       33.85225 
1 1 1 3  12 73  o 63.21432 19.44541 0.3491723      0.1862841     0.5696241      0.2223259     -0.1702844     0.3412777     80.42333 20.08131 44.14898 20.92346 36.27435       29.00087 
1 1 1 3  12 74  o 41.01958 16.95828 0.8634786E-01  0.1563547     0.1817467      0.1834623     -0.1668318     0.2988751     49.02382 18.99529 41.09015 19.50470 7.933662       27.22599 
1 1 1 3  12 75  o 72.50185 20.63906 0.4929463      0.2165375     0.7004773      0.4018238     0.4080158      0.2570550     75.34863 28.37733 63.95095 22.92337 11.39768       36.47950 
1 1 1 3  12 76  o 36.35278 16.62384 -0.3103906E-01 0.1868666     0.9091524E-01  0.2846851     -0.1233621     0.2476973     46.95248 21.08652 37.75798 17.87456 9.194492       27.64310 
1 1 1 3  12 77  o 24.32118 11.62486 -0.1142220     0.1099754     -0.1142220     0.1099754     0.000000       0.000000      24.32118 11.62486 ?        ?        0.000000       11.62486 
1 1 1 3  12 78  o 53.68127 22.43594 0.3066812      0.2779678     0.3066812      0.2779678     0.000000       0.000000      53.68127 22.43594 ?        ?        0.000000       22.43594 
1 1 1 3  12 79  o 27.17766 13.04942 -0.1286066     0.1420978     -0.1286066     0.1420978     0.000000       0.000000      27.17766 13.04942 ?        ?        0.000000       13.04942 
1 1 1 3  12 80  o 52.39397 22.79791 0.3851865      0.3082811     0.3851865      0.3082811     0.000000       0.000000      52.39397 22.79791 ?        ?        0.000000       22.79791 
1 1 1 3  12 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 2   o 61.27042 22.54472 0.2403265      0.2508156     0.2403265      0.2508156     0.000000       0.000000      61.27042 22.54472 ?        ?        0.000000       22.54472 
1 1 1 3  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 7   o 72.01152 24.13915 0.3826978      0.2828263     0.000000       0.000000      0.3826978      0.2828263     ?        ?        72.01152 24.13915 0.000000       24.13915 
1 1 1 3  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 11  o 51.31324 19.76282 0.1415364      0.1976570     0.1415364      0.1976570     0.000000       0.000000      51.31324 19.76282 ?        ?        0.000000       19.76282 
1 1 1 3  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 15  o 93.31407 26.55998 0.6988344      0.3586245     0.000000       0.000000      0.6988344      0.3586245     ?        ?        93.31407 26.55998 0.000000       26.55998 
1 1 1 3  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 19  o 92.23936 26.76070 0.6887079      0.3608161     0.6887079      0.3608161     0.000000       0.000000      92.23936 26.76070 ?        ?        0.000000       26.76070 
1 1 1 3  13 20  o 54.74296 20.87959 0.1747578      0.2192563     0.1747578      0.2192563     0.000000       0.000000      54.74296 20.87959 ?        ?        0.000000       20.87959 
1 1 1 3  13 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 23  o 96.46375 26.42328 0.7634630      0.3623332     0.7634630      0.3623332     0.000000       0.000000      96.46375 26.42328 ?        ?        0.000000       26.42328 
1 1 1 3  13 24  o 141.6618 18.39796 1.506301       0.3513858     1.290951       0.4808193     1.753153       0.5147871     124.2327 28.61852 147.3340 26.26705 -23.10128      38.84556 
1 1 1 3  13 25  o ?        ?        -0.3793920     0.6931414E-01 0.000000       0.000000      -0.3793920     0.6931414E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  13 26  f ?        ?        -0.3397382     0.6940387E-01 0.000000       0.000000      -0.3397382     0.6940387E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  13 27  o 42.61406 18.83059 -0.3173371E-01 0.2177817     0.000000       0.000000      -0.3173371E-01 0.2177817     ?        ?        42.61406 18.83059 0.000000       18.83059 
1 1 1 3  13 28  o 155.3224 18.36156 1.821341       0.3861868     0.000000       0.000000      1.821341       0.3861868     ?        ?        155.3224 18.36156 0.000000       18.36156 
1 1 1 3  13 29  o 109.4831 27.28431 1.015943       0.4109928     0.000000       0.000000      1.015943       0.4109928     ?        ?        109.4831 27.28431 0.000000       27.28431 
1 1 1 3  13 30  o 96.35994 26.95098 0.7914298      0.3726314     0.000000       0.000000      0.7914298      0.3726314     ?        ?        96.35994 26.95098 0.000000       26.95098 
1 1 1 3  13 31  o 76.07179 17.27780 0.4467712      0.1773534     0.1386539      0.2165215     1.074981       0.3091685     51.35719 20.41265 117.5508 19.74743 -66.19365      28.40136 
1 1 1 3  13 32  o 119.9793 15.29067 1.073195       0.2475625     1.007316       0.3039905     1.202925       0.4265834     113.2342 20.18215 118.9177 26.63998 -5.683449      33.42166 
1 1 1 3  13 33  o 49.22467 16.65209 0.1741442      0.1346023     0.1643301      0.1628375     0.1953163      0.2391728     49.70220 18.18392 55.93905 21.68462 -6.236851      28.29978 
1 1 1 3  13 34  f 46.83039 16.54926 0.1507956      0.1335213     0.2389353E-01  0.1621910     0.4176514      0.2351966     39.52781 16.85750 71.72073 21.81001 -32.19292      27.56541 
1 1 1 3  13 35  o 62.60480 16.28355 0.3040329      0.1420956     0.1367598      0.1922434     0.5054745      0.2109662     49.20474 19.33610 79.50363 19.39063 -30.29889      27.38396 
1 1 1 3  13 36  o 107.3003 13.95165 0.8571330      0.2018212     0.8878413      0.2794025     0.8236299      0.2918401     105.5271 19.90458 100.2967 21.70292 5.230392       29.44841 
1 1 1 3  13 37  o 63.26723 16.57116 0.3132482      0.1464903     0.2669471      0.2028458     0.3637178      0.2117801     59.02467 20.42906 66.97760 20.75511 -7.952934      29.12252 
1 1 1 3  13 38  o 44.60910 15.46473 0.1402835      0.1162623     0.1248123E-01  0.1624183     0.2745850      0.1664969     38.60252 16.67185 59.09029 18.41801 -20.48777      24.84298 
1 1 1 3  13 39  o 102.0166 14.47439 0.7854980      0.1981783     0.8264986      0.2772952     0.7426919      0.2833352     100.5305 20.66641 94.03525 22.18039 6.495293       30.31617 
1 1 1 3  13 40  o 121.1261 13.79091 1.096819       0.2265458     1.184227       0.3195231     1.008463       0.3212523     121.3799 19.74269 110.0724 21.90676 11.30750       29.49034 
1 1 1 3  13 41  o 85.15767 15.47995 0.5598447      0.1753200     0.4528737      0.2453477     0.6714592      0.2506163     72.95636 22.29528 90.06260 20.59967 -17.10624      30.35500 
1 1 1 3  13 42  o 115.5417 17.41290 1.047340       0.2691844     -0.2246985     0.4599480     1.710011       0.3319767     51.97290 24.52855 148.9497 16.41348 -96.97679      29.51359 
1 1 1 3  13 43  o 76.06036 16.08441 0.4543169      0.1636490     0.4831962      0.2284872     0.4238977      0.2344991     75.61277 21.08845 70.61456 21.83308 4.998207       30.35467 
1 1 1 3  13 44  o 56.75541 15.95848 0.2539640      0.1302899     0.3224245      0.1764505     0.1718874      0.1932024     62.88531 18.83910 50.78101 19.54420 12.10430       27.14567 
1 1 1 3  13 45  o 65.79871 19.03283 0.3563245      0.1827586     0.1135558      0.3259968     0.4675951      0.2207026     54.41481 23.56007 74.35726 20.72177 -19.94245      31.37624 
1 1 1 3  13 46  o 63.00304 19.24824 0.3265902      0.1828827     0.2653169E-01  0.3289550     0.4608207      0.2200184     51.17372 22.84640 73.70924 20.74229 -22.53552      30.85775 
1 1 1 3  13 47  o 84.49132 18.76469 0.5846487      0.2132253     0.4399329      0.3814549     0.6504156      0.2571514     70.40248 27.35904 87.15401 21.50096 -16.75153      34.79667 
1 1 1 3  13 48  f 52.88432 18.39187 0.2152888      0.1645022     -0.1276845     0.2932853     0.3727165      0.1987013     43.60355 20.25394 66.65229 19.99711 -23.04874      28.46237 
1 1 1 3  13 49  o 50.78852 17.30387 0.1975834      0.1453556     -0.5700845E-01 0.2748724     0.2964152      0.1712606     44.54055 20.28782 60.22087 18.66476 -15.68032      27.56753 
1 1 1 3  13 50  o 32.18173 15.87595 -0.4563008     0.2538714     -0.3525211     0.3600386     -0.5589237     0.3580265     42.59212 20.53212 38.60579 19.00800 3.986328       27.97985 
1 1 1 3  13 51  o 52.27888 17.73538 0.2121983      0.1526891     -0.2058042     0.2807641     0.3877433      0.1819476     40.29373 19.06167 68.41837 18.71736 -28.12463      26.71492 
1 1 1 3  13 52  o 57.24926 18.52764 0.2645304      0.1671212     0.2798995E-01  0.3039775     0.3669992      0.2000712     49.49668 22.03966 66.00707 20.12519 -16.51039      29.84577 
1 1 1 3  13 53  o 67.57411 18.95658 0.3793254      0.1840649     -0.2234499     0.3220006     0.6718848      0.2243292     42.92715 20.33848 90.74457 18.52971 -47.81742      27.51370 
1 1 1 3  13 54  o 47.92872 17.99608 0.1581852      0.1613652     0.4676955      0.2949347     0.2595303E-01  0.1927778     71.98883 24.64790 41.58376 18.06099 30.40507       30.55680 
1 1 1 3  13 55  o 41.14396 19.94868 -0.3983138     0.3522124     -0.3319345     0.4999437     -0.4637245     0.4962835     51.00871 24.48797 48.52869 23.56369 2.480026       33.98394 
1 1 1 3  13 56  o 59.03893 19.28026 0.2842487      0.1807790     0.7276483      0.3353188     0.1025637      0.2146444     88.06541 25.86934 47.32801 19.74246 40.73740       32.54209 
1 1 1 3  13 57  o 90.80583 18.73510 0.6758107      0.2271183     0.4040428      0.4072828     0.7984611      0.2736097     68.47344 27.72569 96.96986 21.03893 -28.49641      34.80446 
1 1 1 3  13 58  f 75.63815 19.76939 0.4830223      0.2087808     0.5576035      0.3906220     0.4531960      0.2470254     75.61785 28.07653 71.66747 22.44991 3.950386       35.94844 
1 1 1 3  13 59  o 24.96461 11.92381 -0.1352207     0.1152715     -0.1130572     0.2256926     -0.1430428     0.1340784     38.36958 17.80369 27.29382 12.98727 11.07575       22.03725 
1 1 1 3  13 60  o 32.94947 14.18892 0.1188989E-01  0.1169518     -0.1205726     0.1577706     0.1734565      0.1742430     31.08656 14.57515 49.33752 18.66203 -18.25096      23.67924 
1 1 1 3  13 61  o 80.14503 16.11436 0.5153590      0.1721488     0.7826526      0.2422153     0.2425216      0.2447142     97.00881 18.76078 56.12255 21.88448 40.88626       28.82529 
1 1 1 3  13 62  o 54.68171 16.55928 0.2440946      0.1357887     0.3257528      0.1894669     0.1578556      0.1947087     61.50276 19.70903 48.66177 19.35215 12.84099       27.62158 
1 1 1 3  13 63  o 126.9627 14.35091 1.257834       0.2471735     1.487270       0.3464168     1.019889       0.3527822     132.0723 19.58922 102.4516 25.12829 29.62066       31.86171 
1 1 1 3  13 64  o 107.0651 14.84814 0.9119129      0.2136026     1.067692       0.3038498     0.7597120      0.3003401     109.4329 20.86986 87.99188 24.03794 21.44101       31.83353 
1 1 1 3  13 65  o 82.43436 18.95398 0.6009571      0.2112397     0.3307761      0.2579419     1.151166       0.3680936     59.18775 22.62967 106.0865 25.45367 -46.89875      34.05865 
1 1 1 3  13 66  o 42.49870 19.51597 -0.9575346E-02 0.2612805     -0.9575346E-02 0.2612805     0.000000       0.000000      42.49870 19.51597 ?        ?        0.000000       19.51597 
1 1 1 3  13 67  o 60.59076 25.43170 0.4196405      0.3594759     0.4196405      0.3594759     0.000000       0.000000      60.59076 25.43170 ?        ?        0.000000       25.43170 
1 1 1 3  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 6   o 72.85448 26.24524 0.4554532      0.3373503     0.000000       0.000000      0.4554532      0.3373503     ?        ?        72.85448 26.24524 0.000000       26.24524 
1 1 1 3  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 11  o ?        ?        -0.4613212     0.5819281E-01 -0.4613212     0.5819281E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 3  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 15  o ?        ?        -0.4418242     0.7075973E-01 0.000000       0.000000      -0.4418242     0.7075973E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  14 16  o 29.98043 13.89997 -0.9399938E-01 0.1371689     0.000000       0.000000      -0.9399938E-01 0.1371689     ?        ?        29.98043 13.89997 0.000000       13.89997 
1 1 1 3  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 20  o 15.84406 7.908504 -0.1820748     0.7053535E-01 -0.1820748     0.7053535E-01 0.000000       0.000000      15.84406 7.908504 ?        ?        0.000000       7.908504 
1 1 1 3  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 25  f 49.27065 20.52976 0.1144909      0.2317352     0.000000       0.000000      0.1144909      0.2317352     ?        ?        49.27065 20.52976 0.000000       20.52976 
1 1 1 3  14 26  o 73.86376 21.36086 0.4672122      0.2302254     1.370283       0.3191434     -0.5126709     0.3324392     131.1904 18.09954 37.69236 18.51021 93.49806       25.88863 
1 1 1 3  14 27  o 44.70749 16.67558 0.1333639      0.1381042     0.7572733      0.1770376     -0.8364928     0.2207285     100.4035 13.08024 ?        ?        0.000000       13.08024 
1 1 1 3  14 28  o 52.10061 18.91313 0.2016463      0.1756659     0.5566147      0.2327310     -0.2683688     0.2678028     81.00928 20.72218 37.66738 18.04049 43.34190       27.47486 
1 1 1 3  14 29  o 53.09194 17.96814 0.2192195      0.1567196     0.6005183      0.1883104     -0.6399800     0.2826758     87.34459 16.21033 31.58474 15.77567 55.75985       22.61961 
1 1 1 3  14 30  o 43.03191 16.14079 0.1207966      0.1297435     0.3742360      0.1521955     -0.5531622     0.2481884     68.48432 16.32509 29.95575 14.93349 38.52857       22.12504 
1 1 1 3  14 31  o 99.80931 14.48800 0.7630458      0.1938382     0.9202241      0.2749463     0.6077234      0.2733183     105.8161 19.53706 82.79134 23.05555 23.02473       30.22011 
1 1 1 3  14 32  o 102.3327 14.75432 0.8046091      0.2024590     0.7582532      0.2843904     0.8522449      0.2882899     93.40913 22.34844 99.99700 21.51663 -6.587875      31.02286 
1 1 1 3  14 33  o 80.06116 15.89420 0.5050876      0.1695125     0.3627939      0.2371387     0.6537674      0.2424017     65.22668 22.10244 88.13668 20.33203 -22.91000      30.03180 
1 1 1 3  14 34  o 134.4633 13.79971 1.365547       0.2525870     1.193477       0.3548005     1.542376       0.3596733     117.6433 22.66335 137.4952 19.49012 -19.85188      29.89134 
1 1 1 3  14 35  f 72.81179 16.28174 0.4221376      0.1595916     0.2786695      0.2252713     0.5666943      0.2261243     59.01982 21.41879 82.04050 20.11541 -23.02068      29.38357 
1 1 1 3  14 36  o 44.18769 15.86384 0.1374850      0.1231532     0.2900928      0.1756523     -0.1006095E-01 0.1727146     59.59578 18.96416 37.90037 16.75745 21.69540       25.30714 
1 1 1 3  14 37  o 30.86547 12.81020 0.2748810E-01  0.8972033E-01 -0.1483816E-01 0.1197801     0.8159108E-01  0.1354223     31.71869 13.99317 40.15966 16.08323 -8.440971      21.31851 
1 1 1 3  14 38  o 28.87585 13.13245 -0.5162117E-01 0.1146118     -0.3571555     0.2191495     0.6340843E-01  0.1344669     30.98510 15.17790 38.70015 15.83242 -7.715050      21.93249 
1 1 1 3  14 39  o 79.57654 19.14801 0.5246240      0.2078492     0.1292914E-01  0.3603348     0.7797707      0.2544460     52.22541 23.56414 97.14334 19.64413 -44.91793      30.67834 
1 1 1 3  14 40  o 33.10490 16.36127 -0.5024769     0.2739420     -0.2748240     0.3817227     -0.7442275     0.3933645     45.72611 21.80075 38.24544 19.02277 7.480667       28.93335 
1 1 1 3  14 41  o 64.99761 19.29003 0.3513351      0.1856426     -0.3620167     0.3220603     0.7062947      0.2271824     39.72314 19.21516 93.32059 18.28423 -53.59745      26.52424 
1 1 1 3  14 42  o 65.57315 18.55133 0.3550166      0.1755071     -0.5995251     0.3138153     0.7894676      0.2117128     34.66515 17.19946 100.6138 15.75596 -65.94863      23.32534 
1 1 1 3  14 43  o 29.66943 13.93161 -0.1203527     0.1450692     0.1820013      0.2077944     -0.4078395     0.2026212     51.71940 20.16654 28.16584 13.94749 23.55356       24.51982 
1 1 1 3  14 44  f 31.26777 14.53544 -0.1003715     0.1515329     -0.1670020     0.2169151     -0.3686010E-01 0.2117771     35.81257 16.88427 40.15674 18.09683 -4.344166      24.75023 
1 1 1 3  14 45  o 45.70326 18.76193 0.1065363      0.1896459     0.1167987      0.2754443     0.9728670E-01  0.2614985     51.24430 21.91410 49.58863 21.28290 1.655670       30.54815 
1 1 1 3  14 46  o 30.16071 14.03758 -0.9703807E-01 0.1420083     -0.1134168     0.2260071     -0.8635318E-01 0.1825435     38.29345 17.78484 35.18521 16.21472 3.108238       24.06694 
1 1 1 3  14 47  o 20.81463 10.25640 -0.2076990     0.1049252     -0.3072535     0.1823898     -0.1584543     0.1282772     28.09998 13.78150 25.86195 12.41260 2.238024       18.54730 
1 1 1 3  14 48  o 30.82700 15.27259 -0.4631156     0.2440231     -0.4363061     0.3597100     -0.4859727     0.3321381     40.19664 19.63809 37.43164 18.40628 2.765007       26.91553 
1 1 1 3  14 49  o 69.97038 18.38510 0.4156382      0.1799447     0.5983816      0.2190488     0.3638361E-01  0.3155626     83.55972 19.36354 49.13932 22.12276 34.42040       29.40005 
1 1 1 3  14 50  o 47.16724 19.17389 0.1397604      0.1956414     0.4211452      0.2882595     -0.1005482     0.2663901     66.26902 24.20147 41.20401 19.19371 25.06501       30.88867 
1 1 1 3  14 51  o 49.91102 19.63112 0.1853474      0.1983197     0.3793131      0.2870502     0.8209603E-02  0.2743159     63.09751 23.93231 45.08509 20.43115 18.01242       31.46724 
1 1 1 3  14 52  o 41.29071 17.52142 0.7477744E-01  0.1736598     -0.1320817E-01 0.2493261     0.1576827      0.2420208     42.33386 19.29793 49.40512 20.80879 -7.071266      28.37985 
1 1 1 3  14 53  o 22.75615 11.08812 -0.1732856     0.1125345     -0.1181905     0.1676191     -0.2184981     0.1518434     31.44847 14.83148 26.42587 12.87703 5.022606       19.64156 
1 1 1 3  14 54  o 32.14378 14.78855 -0.5327157E-01 0.1509922     0.1815250      0.2220020     -0.2553782     0.2059688     48.94225 20.21825 30.85583 15.02732 18.08642       25.19123 
1 1 1 3  14 55  o 44.87678 18.62133 0.1394664      0.1895250     0.3415460      0.2756372     -0.4174547E-01 0.2610176     57.62575 22.99116 40.78089 18.99747 16.84486       29.82444 
1 1 1 3  14 56  o ?        ?        -0.3260173     0.6486449E-01 0.000000       0.000000      -0.3260173     0.6486449E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 6   o 27.69857 13.13963 -0.1388187     0.1352164     0.000000       0.000000      -0.1388187     0.1352164     ?        ?        27.69857 13.13963 0.000000       13.13963 
1 1 1 3  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 10  o 31.17793 14.58150 -0.1180018     0.1562280     -0.1180018     0.1562280     0.000000       0.000000      31.17793 14.58150 ?        ?        0.000000       14.58150 
1 1 1 3  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 16  o ?        ?        -0.3534048     0.5675183E-01 0.000000       0.000000      -0.3534048     0.5675183E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 20  o 68.08270 25.13822 0.4145670      0.3122764     0.4145670      0.3122764     0.000000       0.000000      68.08270 25.13822 ?        ?        0.000000       25.13822 
1 1 1 3  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 26  o 44.84612 19.49437 0.5342863E-01  0.2249684     0.000000       0.000000      0.5342863E-01  0.2249684     ?        ?        44.84612 19.49437 0.000000       19.49437 
1 1 1 3  15 27  o ?        ?        -0.4189908     0.7246156E-01 0.000000       0.000000      -0.4189908     0.7246156E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 3  15 28  o 22.42054 11.11235 -0.2758542     0.1296741     0.000000       0.000000      -0.2758542     0.1296741     ?        ?        22.42054 11.11235 0.000000       11.11235 
1 1 1 3  15 29  o 37.44632 16.31129 0.1877126E-01  0.1581621     -0.5084554E-02 0.2087367     0.5093159E-01  0.2423606     40.62117 18.16251 45.48311 19.99105 -4.861935      27.00961 
1 1 1 3  15 30  o 43.34732 16.68088 0.1262138      0.1407240     0.9923977E-01  0.1636828     0.2026462      0.2755302     42.75532 17.47696 53.95755 22.42606 -11.20222      28.43189 
1 1 1 3  15 31  o 43.08400 16.43881 0.1276422      0.1359407     0.2349983      0.1581489     -0.1761204     0.2660235     53.19083 18.04965 38.82751 18.42221 14.36332       25.79085 
1 1 1 3  15 32  o 32.91053 14.04686 0.2458986E-01  0.1127820     0.5358887E-01  0.1299107     -0.6414223E-01 0.2272447     36.71647 15.34115 39.23675 18.08529 -2.520279      23.71557 
1 1 1 3  15 33  o 43.96891 16.55713 0.1411061      0.1367840     0.3543594      0.1596656     -0.4471003     0.2651724     64.17069 17.52495 32.36112 16.01261 31.80957       23.73873 
1 1 1 3  15 34  o 36.95002 15.34481 0.6181429E-01  0.1288487     0.1213146      0.1491770     -0.1129664     0.2556755     42.78269 16.96269 39.29712 18.46609 3.485573       25.07447 
1 1 1 3  15 35  o 23.78424 11.05266 -0.5997998E-01 0.8749197E-01 0.2599239E-01  0.9641520E-01 -0.4610080     0.2082348     30.86524 13.07408 26.96184 13.47766 3.903393       18.77708 
1 1 1 3  15 36  o 48.38132 19.55562 0.1785130      0.2022315     -0.1131277     0.2836787     0.4798921      0.2883761     40.64203 19.20613 66.84344 24.23751 -26.20140      30.92463 
1 1 1 3  15 37  o 34.13548 15.55847 -0.3161891E-01 0.1619883     -0.9889039E-01 0.2248845     0.4092572E-01  0.2335322     36.82052 17.30750 42.50055 19.09197 -5.680023      25.76923 
1 1 1 3  15 38  o 50.77084 22.12392 0.1966711      0.2912236     0.000000       0.000000      0.1966711      0.2912236     ?        ?        50.77084 22.12392 0.000000       22.12392 
1 1 1 3  15 39  o 29.26725 14.10656 -0.1726197     0.1698005     0.000000       0.000000      -0.1726197     0.1698005     ?        ?        29.26725 14.10656 0.000000       14.10656 
1 1 1 3  15 40  o 15.84775 8.035292 -0.3006120     0.8976054E-01 0.000000       0.000000      -0.3006120     0.8976054E-01 ?        ?        15.84775 8.035292 0.000000       8.035292 
1 1 1 3  15 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  0   o 364.4727 22.67123 9.289466       1.130863      0.000000       0.000000      9.289466       1.130863      364.4727 22.67123 364.4727 22.67123 -0.000000      0.000000 
1 1 1 4  0  1   o 1061.973 20.62368 78.12285       3.021677      81.26562       4.413876      75.35083       4.145348      1081.270 29.61319 1041.262 28.88147 -0.000000      0.000000 
1 1 1 4  0  2   o 732.9548 25.24345 37.34396       2.547971      0.000000       0.000000      37.34396       2.547971      732.9548 25.24345 732.9548 25.24345 -0.000000      0.000000 
1 1 1 4  0  3   o 1898.129 41.25555 251.2873       10.80147      0.000000       0.000000      251.2873       10.80147      1898.129 41.25555 1898.129 41.25555 -0.000000      0.000000 
1 1 1 4  0  4   o 489.9439 16.48629 16.65242       1.112478      18.36805       1.626364      15.14383       1.525079      513.5536 23.04033 465.8445 23.85172 -0.000000      0.000000 
1 1 1 4  0  5   o 477.6250 13.33812 15.80134       0.8781185     16.18216       1.085090      15.07866       1.494790      482.9771 16.31269 464.9221 23.41984 -0.000000      0.000000 
1 1 1 4  0  6   o 573.6470 13.72262 22.78054       1.085571      22.99903       1.336182      22.35630       1.861911      576.0084 16.83211 566.7091 23.89018 -0.000000      0.000000 
1 1 1 4  0  7   o 647.0698 14.10934 28.97848       1.259300      28.98068       1.545077      28.97412       2.173442      646.6912 17.33089 645.4346 24.46678 -0.000000      0.000000 
1 1 1 4  0  8   o 102.5347 13.21025 0.7618394      0.1784997     0.7839246      0.2188179     0.7179120      0.3086033     102.6208 16.79311 91.25110 28.01202 -0.000000      0.000000 
1 1 1 4  0  9   o 1047.881 14.37291 75.93512       2.078790      72.23956       2.840605      80.19642       3.050288      1021.227 20.16194 1075.997 20.54704 -0.000000      0.000000 
1 1 1 4  0  10  o 601.7907 11.98812 25.05183       0.9952808     24.15643       1.390384      25.99283       1.425346      590.3228 17.08959 612.4326 16.88383 -0.000000      0.000000 
1 1 1 4  0  11  o 434.4654 11.37733 13.06778       0.6814904     12.65272       0.9573716     13.49414       0.9703045     426.8692 16.29623 440.9396 15.98407 -0.000000      0.000000 
1 1 1 4  0  12  o 399.0579 11.25772 11.02809       0.6192154     10.70039       0.8710123     11.36295       0.8804698     392.4258 16.13619 404.5001 15.81863 -0.000000      0.000000 
1 1 1 4  0  13  f 132.3212 11.03189 1.234605       0.1983426     1.204927       0.2801625     1.264426       0.2808364     128.9758 16.46411 132.4422 15.97224 -0.000000      0.000000 
1 1 1 4  0  14  o 219.8862 10.91617 3.364815       0.3295777     3.260234       0.4651725     3.470228       0.4670195     215.4397 15.83346 222.4814 15.37055 -0.000000      0.000000 
1 1 1 4  0  15  o 63.70462 12.90241 0.3124734      0.1005014     0.2885378      0.1418874     0.3365736      0.1423748     56.25700 20.03358 62.75815 18.85200 -0.000000      0.000000 
1 1 1 4  0  16  o 503.6063 11.60544 17.55044       0.8060641     17.46318       1.138264      17.63821       1.141637      501.7650 16.46895 504.2862 16.43460 -0.000000      0.000000 
1 1 1 4  0  17  o 512.1631 13.49941 18.16534       0.9531878     17.22559       1.152297      20.20202       1.696371      498.2820 16.79076 538.7408 22.89765 -0.000000      0.000000 
1 1 1 4  0  18  o 586.4569 16.90561 23.84038       1.366431      23.77065       1.929082      23.91059       1.935786      584.4133 23.99718 586.1373 24.00929 -0.000000      0.000000 
1 1 1 4  0  19  o 869.8174 15.37994 52.34978       1.845927      52.45037       3.199662      52.29960       2.259934      868.7382 26.73062 868.9222 18.85553 -0.000000      0.000000 
1 1 1 4  0  20  o 421.6830 11.34475 12.31167       0.6594893     12.23631       0.9315273     12.38741       0.9337943     419.7752 16.12495 422.3795 16.06345 -0.000000      0.000000 
1 1 1 4  0  21  o 420.7185 11.34861 12.25559       0.6581993     11.77764       0.9243842     12.74711       0.9374213     411.7672 16.31603 428.5184 15.89223 -0.000000      0.000000 
1 1 1 4  0  22  o 515.5696 13.48396 18.40741       0.9584528     18.26456       1.171399      18.69672       1.667114      513.1646 16.57057 518.0577 23.41390 -0.000000      0.000000 
1 1 1 4  0  23  o 1017.248 20.09613 71.68381       2.820298      73.78594       4.064645      69.73212       3.916486      1030.316 28.62020 1001.607 28.36940 0.000000       0.000000 
1 1 1 4  0  24  o 371.6667 12.99095 9.580868       0.6648566     8.669963       1.135659      10.05587       0.8200839     351.4713 23.64586 380.4197 15.67242 -0.000000      0.000000 
1 1 1 4  0  25  f 950.6726 13.80042 62.50442       1.810736      62.59906       2.563664      62.41019       2.557879      950.5779 19.55015 949.1434 19.53555 -0.000000      0.000000 
1 1 1 4  0  26  o 145.2239 11.05751 1.482246       0.2187785     1.316412       0.3084366     1.650167       0.3103716     134.7287 17.37402 152.2999 15.09909 -0.000000      0.000000 
1 1 1 4  0  27  f 565.0437 11.87342 22.09051       0.9254709     22.14818       1.310275      22.03310       1.307357      565.1711 16.82349 563.6961 16.83016 -0.000000      0.000000 
1 1 1 4  0  28  o 269.2934 11.02687 5.035569       0.4084677     5.156077       0.5789753     4.916148       0.5763547     271.7589 15.54539 265.2333 15.86710 -0.000000      0.000000 
1 1 1 4  0  29  o 103.3942 11.42914 0.7653178      0.1580804     0.7829161      0.2235442     0.7477149      0.2235746     102.3049 17.31312 99.44937 18.04178 -0.000000      0.000000 
1 1 1 4  0  30  o 360.9157 11.21754 9.026453       0.5578155     9.069585       0.7897164     8.983506       0.7880269     361.1107 15.90798 359.3757 15.95167 -0.000000      0.000000 
1 1 1 4  0  31  o 538.4485 11.78276 20.06357       0.8751040     20.22960       1.240863      19.89928       1.234331      540.0478 16.67601 535.6004 16.72680 -0.000000      0.000000 
1 1 1 4  0  32  o 267.0713 11.07608 4.953868       0.4068646     5.118752       0.5769591     4.790761       0.5738406     270.7419 15.55041 261.7409 16.01484 -0.000000      0.000000 
1 1 1 4  0  33  o 307.9348 11.12474 6.577884       0.4716272     6.428438       0.6656726     6.728509       0.6682981     303.6226 15.97881 310.7428 15.66596 -0.000000      0.000000 
1 1 1 4  0  34  o 269.2153 11.06769 5.033557       0.4098484     4.871956       0.5782663     5.196673       0.5809696     263.9615 15.99999 272.8020 15.53827 -0.000000      0.000000 
1 1 1 4  0  35  o 578.0914 11.96299 23.12698       0.9540129     23.70232       1.359686      22.56908       1.338910      584.5787 16.87631 570.3718 17.03463 -0.000000      0.000000 
1 1 1 4  0  36  o 166.4532 11.08520 1.940023       0.2521919     2.043286       0.3572762     1.837477       0.3560336     169.7799 15.53909 160.4951 16.46223 -0.000000      0.000000 
1 1 1 4  0  37  o 427.1289 13.23931 12.64995       0.7791418     13.04864       0.9605753     11.88315       1.332140      433.3912 16.10186 411.9411 23.59659 -0.000000      0.000000 
1 1 1 4  0  38  f 506.0118 13.54977 17.74357       0.9452049     18.18401       1.165994      16.89938       1.614242      511.8092 16.53784 491.8254 23.89813 -0.000000      0.000000 
1 1 1 4  0  39  o 422.3637 13.23048 12.37194       0.7698999     12.80740       1.343289      12.15892       0.9395283     427.8806 22.88528 418.2037 16.32638 -0.000000      0.000000 
1 1 1 4  0  40  o 232.3029 11.08740 3.755515       0.3538029     3.619109       0.4996746     3.892664       0.5010338     226.9756 16.13015 235.6555 15.55298 -0.000000      0.000000 
1 1 1 4  0  41  o 202.3974 11.12176 2.857308       0.3086802     2.826544       0.4364621     2.888093       0.4366173     200.1819 16.02636 202.4386 15.84276 -0.000000      0.000000 
1 1 1 4  0  42  o 569.2344 13.84889 22.45725       1.087084      22.08643       1.324785      23.22162       1.902023      563.9464 17.04781 576.6889 23.97987 -0.000000      0.000000 
1 1 1 4  0  43  o 299.0012 15.92976 6.242767       0.6534238     6.527385       0.9275470     5.962365       0.9206530     304.1832 22.36098 290.2110 23.32084 -0.000000      0.000000 
1 1 1 4  0  44  o 157.9117 13.03794 1.760172       0.2798311     1.937523       0.4863061     1.672380       0.3421517     162.3552 23.03024 152.6949 16.73984 -0.000000      0.000000 
1 1 1 4  0  45  o 213.2037 11.13615 3.169307       0.3258021     3.210588       0.4610282     3.128123       0.4604798     213.5387 15.83573 210.6781 16.04290 0.000000       0.000000 
1 1 1 4  0  46  o 487.9052 11.71130 16.49877       0.7879761     16.37370       1.113082      16.62443       1.115656      485.0917 16.66204 488.8250 16.57187 -0.000000      0.000000 
1 1 1 4  0  47  o 457.0237 11.61398 14.48186       0.7318526     14.67691       1.038214      14.28922       1.031807      459.1341 16.42373 452.9774 16.54629 -0.000000      0.000000 
1 1 1 4  0  48  o 387.2031 11.42718 10.40361       0.6097601     10.34442       0.8621385     10.46284       0.8625238     385.0944 16.27947 387.3252 16.19147 -0.000000      0.000000 
1 1 1 4  0  49  o 466.2120 11.66521 15.07696       0.7498925     15.37600       1.065321      14.78327       1.055760      469.7381 16.47021 460.5138 16.65231 -0.000000      0.000000 
1 1 1 4  0  50  o 165.0884 11.26970 1.913132       0.2541530     1.902891       0.3591645     1.923402       0.3596895     163.1510 16.31720 164.0795 16.24091 -0.000000      0.000000 
1 1 1 4  0  51  o 277.9413 11.24313 5.376062       0.4298929     5.355118       0.6077342     5.397038       0.6081867     276.2584 16.05574 277.3631 16.00186 -0.000000      0.000000 
1 1 1 4  0  52  o 252.4956 11.23426 4.442667       0.3899196     4.428373       0.5513297     4.456970       0.5515296     250.8738 16.06652 251.7067 16.01721 -0.000000      0.000000 
1 1 1 4  0  53  o 72.20847 13.72735 0.3982944      0.1224885     0.4298789      0.1721867     0.3659366      0.1742821     71.43624 20.15937 63.42998 22.03628 -0.000000      0.000000 
1 1 1 4  0  54  o 199.9600 11.27514 2.798218       0.3090534     2.644194       0.4357861     2.954067       0.4383603     192.7258 16.66204 204.2387 15.75952 -0.000000      0.000000 
1 1 1 4  0  55  o 90.12741 12.50646 0.5951568      0.1470830     0.5705624      0.2069604     0.6202551      0.2090693     83.83138 20.64962 88.59422 19.53622 -0.000000      0.000000 
1 1 1 4  0  56  o 77.76184 13.43013 0.4554175      0.1313041     0.3801624      0.1840114     0.5334861      0.1874196     64.28425 22.78071 81.58127 19.14740 -0.000000      0.000000 
1 1 1 4  0  57  o 187.8964 11.38013 2.476879       0.2927786     2.414588       0.4127504     2.539961       0.4153650     183.8264 16.57042 188.7803 16.20931 -0.000000      0.000000 
1 1 1 4  0  58  o 267.3002 13.13151 5.004785       0.4820088     4.961493       0.5898505     5.091800       0.8362470     265.1190 16.25243 265.6485 23.20491 -0.000000      0.000000 
1 1 1 4  0  59  o 83.80865 15.94800 0.5388728      0.1651365     0.5350175      0.2834843     0.5408529      0.2031666     74.30156 28.95748 80.91032 21.04388 -0.000000      0.000000 
1 1 1 4  0  60  f 108.5723 14.33536 0.8625151      0.2044870     0.7576289      0.3516018     0.9161255      0.2513719     90.54091 31.23047 110.4254 17.89524 -0.000000      0.000000 
1 1 1 4  0  61  o 187.8950 11.42745 2.479083       0.2939729     2.536201       0.4155829     2.421877       0.4158982     188.4788 16.24592 183.9147 16.69316 -0.000000      0.000000 
1 1 1 4  0  62  o 131.3011 13.71567 1.238607       0.2424585     1.191402       0.2958391     1.335179       0.4231457     126.9223 17.90619 130.0974 26.64784 -0.000000      0.000000 
1 1 1 4  0  63  o 100.7932 14.98715 0.7526174      0.1950165     0.6576416      0.2376575     0.9483972      0.3412157     89.79697 22.13826 107.4737 26.56091 -0.000000      0.000000 
1 1 1 4  0  64  o 288.2523 16.32213 5.857786       0.6448980     5.854136       0.9107609     5.861454       0.9132912     285.0144 23.50996 285.1685 23.56385 -0.000000      0.000000 
1 1 1 4  0  65  o 70.43867 17.87433 0.4055988      0.1503213     0.4507896      0.1824933     0.3102292      0.2651108     72.77438 20.94059 54.43968 27.85891 -0.000000      0.000000 
1 1 1 4  0  66  o 309.6941 13.31333 6.706827       0.5669281     6.967054       0.6967134     6.196839       0.9753433     314.7607 16.12670 293.0753 24.49496 -0.000000      0.000000 
1 1 1 4  0  67  o 65.38894 18.53038 0.3610491      0.1449210     0.4557759      0.2570601     0.3169151      0.1754627     68.01531 27.79531 57.15197 22.89780 0.000000       0.000000 
1 1 1 4  0  68  o 78.86950 17.22381 0.4899465      0.1642934     0.3684795      0.1990094     0.7499034      0.2911353     61.83535 24.30356 94.37331 25.83982 -0.000000      0.000000 
1 1 1 4  0  69  f 118.4957 14.37510 1.018755       0.2259920     0.9029147      0.2750735     1.259320       0.3964017     108.3095 20.54436 126.8573 25.53040 -0.000000      0.000000 
1 1 1 4  0  70  o 218.3268 13.37533 3.350611       0.3997597     3.213338       0.4877978     3.631358       0.6975981     212.6141 16.85921 223.6127 23.16195 -0.000000      0.000000 
1 1 1 4  0  71  o 150.4429 13.79142 1.612957       0.2809608     1.565935       0.3427967     1.709195       0.4904041     146.7156 17.58981 149.3443 26.18909 -0.000000      0.000000 
1 1 1 4  0  72  o 104.0988 15.16736 0.8004498      0.2045094     0.6981556      0.2487942     1.013574       0.3591134     92.83393 22.38527 111.5388 26.89250 -0.000000      0.000000 
1 1 1 4  0  73  o 138.8321 14.05069 1.381480       0.2630300     1.439692       0.3216161     1.263898       0.4570877     140.5377 17.27267 123.5434 30.97614 -0.000000      0.000000 
1 1 1 4  0  74  o 225.3116 13.46102 3.569104       0.4153703     3.747844       0.5097645     3.215966       0.7165226     230.0273 16.23492 208.4162 25.98927 -0.000000      0.000000 
1 1 1 4  0  75  o 141.7044 14.06945 1.438854       0.2690686     1.414291       0.3286727     1.488769       0.4685239     138.8471 17.97313 137.3540 27.91145 -0.000000      0.000000 
1 1 1 4  0  76  o 237.4187 11.65595 3.944610       0.3800204     4.017148       0.5367698     3.871713       0.5380927     238.0180 16.51461 233.4630 16.89504 -0.000000      0.000000 
1 1 1 4  0  77  o 21.73647 13.78796 0.1150097E-01  0.8971574E-01 -0.2348930E-02 0.1068801     0.4453653E-01  0.1650686     22.58126 14.60274 30.78444 19.17148 -0.000000      0.000000 
1 1 1 4  0  78  o 94.63928 16.85856 0.6817657      0.1994742     0.4742271      0.2423352     1.117855       0.3512811     70.45640 26.59272 119.2945 24.06811 -0.000000      0.000000 
1 1 1 4  0  79  o 157.4152 14.14067 1.770338       0.3016611     1.598218       0.5208107     1.857236       0.3700568     140.5659 30.62568 160.0512 17.25165 -0.000000      0.000000 
1 1 1 4  0  80  o 46.41984 18.93236 0.2106685      0.1193303     0.3375691E-01  0.1654041     0.4026964      0.1723258     30.07914 18.92913 67.75655 21.02940 -0.000000      0.000000 
1 1 1 4  0  81  o 87.41171 15.14543 0.5788705      0.1663520     0.4875854      0.2333433     0.6732135      0.2372192     72.31927 25.66421 90.99691 21.76166 -0.000000      0.000000 
1 1 1 4  0  82  o 205.5966 17.21403 3.032098       0.4808114     3.217690       0.6827940     2.849545       0.6771808     208.0006 24.68986 194.0893 26.70641 -0.000000      0.000000 
1 1 1 4  0  83  o 95.41212 32.61709 0.8499249      0.3858288     0.000000       0.000000      0.8499249      0.3858288     95.41212 32.61709 95.41212 32.61709 -0.000000      0.000000 
1 1 1 4  0  84  o 164.9413 18.09461 1.982976       0.3994834     0.000000       0.000000      1.982976       0.3994834     164.9413 18.09461 164.9413 18.09461 -0.000000      0.000000 
1 1 1 4  0  85  o 156.7931 14.58632 1.764062       0.3095169     1.368560       0.5345896     1.963495       0.3796163     124.1740 35.93343 164.5165 17.13650 -0.000000      0.000000 
1 1 1 4  0  86  o 128.6648 15.37898 1.208096       0.2629107     1.019456       0.4548201     1.302761       0.3221952     104.1739 35.30861 132.1966 18.73695 -0.000000      0.000000 
1 1 1 4  0  87  o 44.02500 21.37456 0.2025671      0.1521641     0.7155248      0.2702262     -0.3560027E-01 0.1841313     92.09025 24.59328 27.88829 18.42754 -0.000000      0.000000 
1 1 1 4  0  88  o 182.3101 14.40633 2.370004       0.3574530     1.937716       0.6170877     2.588302       0.4385149     153.6861 33.14407 189.5037 17.07717 -0.000000      0.000000 
1 1 1 4  0  89  o 61.52155 22.79661 0.3586916      0.1797595     0.6838808      0.3211049     0.2102630      0.2169391     85.09735 30.06570 45.22448 24.59773 -0.000000      0.000000 
1 1 1 4  0  90  o 53.13145 22.87690 0.2856540      0.1723013     0.6630609      0.3092960     0.1158299      0.2074766     83.97702 29.43682 37.87610 22.56663 -0.000000      0.000000 
1 1 1 4  0  91  o 20.42066 13.86634 -0.6131839E-01 0.1178911     -0.2193280     0.2238013     -0.6345492E-03 0.1386939     24.88826 17.42231 25.72113 16.63376 -0.000000      0.000000 
1 1 1 4  0  92  o 79.52600 21.81565 0.5358995      0.2071375     0.3920411      0.3627911     0.6054777      0.2523048     60.06971 32.08152 82.76732 25.27033 -0.000000      0.000000 
1 1 1 4  0  93  o 106.5759 18.35325 0.8679011      0.2460567     0.3904237      0.4292571     1.101565       0.3002870     60.58465 33.99709 120.3035 19.65151 -0.000000      0.000000 
1 1 1 4  0  94  o 45.44815 22.64828 0.2186025      0.1726807     0.2940441      0.2143603     0.7915266E-01  0.2914392     52.55097 25.38982 40.13086 25.20140 0.000000       0.000000 
1 1 1 4  0  95  o 203.6121 12.73545 2.936207       0.3548495     2.618580       0.5005426     3.257131       0.5031332     188.7092 19.70077 212.3535 17.42886 -0.000000      0.000000 
1 1 1 4  0  96  o 108.5106 15.79929 0.8803173      0.2220841     0.5634890      0.3130311     1.201405       0.3151281     73.78631 30.75186 125.6621 19.57664 -0.000000      0.000000 
1 1 1 4  0  97  f 110.5880 18.74386 0.9406625      0.2615349     0.7078050      0.3136519     1.471990       0.4737877     86.61092 29.30312 132.7832 29.57538 -0.000000      0.000000 
1 1 1 4  0  98  o 40.90511 23.58097 0.1632943      0.2143951     -0.1087681E-02 0.2786325     0.4018692      0.3356736     35.49269 23.17912 59.34253 31.09464 -0.000000      0.000000 
1 1 1 4  0  99  o 24.37235 15.99747 -0.1448466E-01 0.1352212     -0.4184026E-01 0.2071835     0.5815082E-02  0.1784750     29.01343 19.29479 29.04508 18.81516 -0.000000      0.000000 
1 1 1 4  0  100 o 37.88990 20.46250 0.1525731      0.1491439     0.2500427      0.2020756     0.3594986E-01  0.2210405     47.43840 24.31215 33.31562 21.33414 -0.000000      0.000000 
1 1 1 4  0  101 o 46.42975 22.29762 0.2355993      0.1650760     0.1644738      0.2212212     0.3249624      0.2479668     40.60109 23.71347 53.21782 27.00771 -0.000000      0.000000 
1 1 1 4  0  102 o 81.21366 23.07031 0.5873128      0.2241334     0.4309736      0.2728980     0.9113480      0.3928824     61.29451 28.75519 94.18354 33.24829 -0.000000      0.000000 
1 1 1 4  0  103 o 51.45871 24.49985 0.2975233      0.1988572     0.3274566      0.3296810     0.2804045      0.2493181     52.32436 29.61994 48.99425 26.45745 -0.000000      0.000000 
1 1 1 4  0  104 o 69.95639 21.85784 0.4503633      0.1851885     0.6133110      0.2638824     0.2922311      0.2599539     79.03399 26.95148 49.65738 26.95222 -0.000000      0.000000 
1 1 1 4  0  105 o 34.46258 19.46708 0.1240674      0.1420013     0.1136185      0.2016067     0.1343548      0.2000426     35.95431 21.82967 37.25616 22.17663 -0.000000      0.000000 
1 1 1 4  0  106 o 90.10095 18.77077 0.6637901      0.2058941     0.8248076      0.2915077     0.5034986      0.2908498     95.76693 25.51263 65.72524 29.74883 -0.000000      0.000000 
1 1 1 4  0  107 o 48.89143 22.36333 0.2631057      0.1645451     0.1062702      0.2333516     0.4182068      0.2320577     36.80622 22.86522 61.45460 26.55706 -0.000000      0.000000 
1 1 1 4  0  108 o 27.00867 17.13719 0.3167930E-01  0.1387053     -0.1345329     0.2022726     0.1792121      0.1905680     24.83610 17.19411 40.22422 22.61975 -0.000000      0.000000 
1 1 1 4  0  109 o 29.19758 18.00401 0.6044038E-01  0.1420072     -0.1258083     0.2090077     0.2201425      0.1935401     25.61919 17.67293 43.74329 23.40962 -0.000000      0.000000 
1 1 1 4  0  110 o 29.92953 18.40390 0.6608514E-01  0.1474672     -0.7908850E-01 0.2163722     0.1920121      0.2015194     27.67129 18.78856 41.40493 23.26990 -0.000000      0.000000 
1 1 1 4  0  111 o 25.03920 16.47052 -0.9496145E-02 0.1444658     0.2281626      0.2157907     -0.2025290     0.1944784     44.28836 24.37617 22.30051 15.73970 -0.000000      0.000000 
1 1 1 4  0  112 o 26.85143 16.95845 0.3622676E-01  0.1340911     -0.1378884E-01 0.1942643     0.8174209E-01  0.1853186     28.51119 18.86846 32.90057 20.41132 -0.000000      0.000000 
1 1 1 4  0  113 o 21.74079 14.44713 -0.2029042E-01 0.1157782     -0.7798090E-01 0.1676044     0.3236398E-01  0.1601219     23.77449 16.24981 28.31527 18.14228 -0.000000      0.000000 
1 1 1 4  0  114 o 26.93985 16.80976 0.4847546E-01  0.1275220     0.8584875E-01  0.1788246     0.9805015E-02  0.1819015     32.32563 20.05280 28.35671 18.59213 -0.000000      0.000000 
1 1 1 4  0  115 o 23.27917 15.63173 -0.3041463E-01 0.1419006     -0.4941011E-01 0.1630859     0.2878299E-01  0.2879011     24.15263 16.37472 34.22486 22.75567 -0.000000      0.000000 
1 1 1 4  0  116 o 52.81615 27.13087 0.3851298      0.2519808     0.3324891      0.3311571     0.4575216      0.3883452     47.15712 28.30247 52.59036 31.08781 -0.000000      0.000000 
1 1 1 4  0  117 o 36.96773 22.73094 0.1713746      0.2249451     0.6862254E-01  0.2911529     0.3235351      0.3543046     34.11315 22.74443 44.79940 27.98284 -0.000000      0.000000 
1 1 1 4  0  118 o 40.11287 24.05531 0.2490633      0.2388367     0.2138043      0.3108009     0.2999119      0.3732390     38.27112 24.80562 41.47799 26.99563 -0.000000      0.000000 
1 1 1 4  0  119 o 26.37210 17.90255 0.9309960E-02  0.1962302     -0.3189854E-01 0.2484138     0.7769676E-01  0.3200136     27.22403 18.89663 32.11417 22.08077 -0.000000      0.000000 
1 1 1 4  0  120 o 23.73416 16.71468 -0.6588155E-01 0.2155343     -0.6588155E-01 0.2155343     0.000000       0.000000      23.73416 16.71468 23.73416 16.71468 -0.000000      0.000000 
1 1 1 4  0  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  0   o 691.5764 17.88536 33.14170       1.705371      33.00328       2.413807      33.27965       2.409716      688.8371 25.45634 691.7572 25.30432 -0.000000      0.000000 
1 1 1 4  1  1   o 504.6557 13.75301 17.61773       0.9583647     20.77900       1.724780      16.20579       1.152684      547.1257 22.83014 483.7390 17.25684 63.38666       28.61842 
1 1 1 4  1  2   o 552.7258 13.94134 21.13502       1.064026      22.28059       1.324994      19.05474       1.785511      567.2379 16.91651 523.6942 24.69147 43.54376       29.93053 
1 1 1 4  1  3   o 1032.286 16.73608 73.78526       2.385568      70.77419       2.841759      80.97110       4.390016      1010.298 20.37040 1078.099 29.48964 -67.80060      35.84121 
1 1 1 4  1  4   o 336.3027 13.05273 7.822345       0.6061354     7.672064       0.7388576     8.131642       1.059982      332.9047 16.07322 341.5481 22.60325 -8.643402      27.73545 
1 1 1 4  1  5   o 641.6449 12.41504 28.47038       1.099970      27.37597       1.538111      29.61599       1.573684      628.6702 17.71849 653.9193 17.42831 -25.24915      24.85339 
1 1 1 4  1  6   o 283.3042 11.19382 5.548559       0.4378943     5.620431       0.6205591     5.477277       0.6180011     284.5074 15.85924 280.8349 16.00303 3.672455       22.53025 
1 1 1 4  1  7   o 256.7074 9.982996 4.554442       0.3538647     4.885230       0.5633281     4.338840       0.4547934     265.2272 15.44864 250.1125 13.21554 15.11473       20.33005 
1 1 1 4  1  8   o 551.3486 9.829349 21.00863       0.7483229     21.09706       1.063168      20.92181       1.053476      552.2266 13.94269 549.9338 13.87318 2.292786       19.66885 
1 1 1 4  1  9   o 393.9339 9.369658 10.72389       0.5096653     11.09339       0.7260277     10.36489       0.7156358     400.4865 13.12887 387.0995 13.38849 13.38699       18.75150 
1 1 1 4  1  10  o 317.1890 9.229747 6.952334       0.4042461     6.486852       0.5688723     7.427155       0.5745506     306.2335 13.45316 327.7115 12.69693 -21.47803      18.49863 
1 1 1 4  1  11  o 1012.060 10.82696 70.80317       1.513042      70.97093       2.006341      70.58195       2.303918      1012.789 14.34656 1009.656 16.52554 3.133789       21.88418 
1 1 1 4  1  12  f 374.9785 8.089518 9.714456       0.4188581     9.724308       0.5922751     9.704597       0.5924346     375.0403 11.43688 374.6593 11.45159 0.3809814      16.18460 
1 1 1 4  1  13  o 717.7853 9.048628 35.60166       0.8968406     35.66216       1.270126      35.54152       1.266530      718.0853 12.80952 716.8711 12.79489 1.214233       18.10505 
1 1 1 4  1  14  o 234.0998 7.820906 3.786078       0.2528110     3.891111       0.3582690     3.681910       0.3567932     237.2518 10.93608 230.7790 11.19650 6.472885       15.65118 
1 1 1 4  1  15  o 400.7404 8.645063 11.09626       0.4783759     11.55082       0.6368669     10.50774       0.7246545     408.7530 11.28365 389.7498 13.46502 19.00323       17.56780 
1 1 1 4  1  16  o 342.2754 10.20153 8.097242       0.4821464     9.462205       0.7738587     7.231214       0.6164070     369.7560 15.15683 323.3063 13.80751 46.44968       20.50310 
1 1 1 4  1  17  f 532.2367 10.63817 19.58114       0.7818251     17.67477       1.198146      20.99478       1.031753      505.1789 17.17618 550.9077 13.56310 -45.72873      21.88558 
1 1 1 4  1  18  o 244.6466 8.362253 4.135319       0.2824883     4.299145       0.3729042     3.914703       0.4327376     249.3829 10.82911 237.5304 13.24647 11.85252       17.10960 
1 1 1 4  1  19  o 342.7631 8.467088 8.117600       0.4007431     8.078780       0.5297327     8.169543       0.6127636     341.8438 11.22254 343.6841 12.91206 -1.840332      17.10750 
1 1 1 4  1  20  o 531.1908 8.978083 19.49767       0.6585248     19.84362       0.8744239     19.04437       1.000933      535.7136 11.82092 524.6711 13.81592 11.04254       18.18279 
1 1 1 4  1  21  o 487.9817 10.49401 16.45994       0.7071038     17.45884       1.134596      15.82557       0.9041715     502.1465 16.36338 478.2876 13.69064 23.85889       21.33527 
1 1 1 4  1  22  f 783.1224 11.64492 42.40433       1.259228      40.57527       1.948791      43.71540       1.649924      765.1932 18.44405 794.7447 15.03482 -29.55145      23.79556 
1 1 1 4  1  23  o 411.2193 8.603308 11.68456       0.4885139     11.57917       0.6457040     11.82563       0.7470497     409.2320 11.42683 413.4708 13.08479 -4.238831      17.37194 
1 1 1 4  1  24  o 662.2566 8.718326 30.30639       0.7972552     30.38438       1.128988      30.22882       1.125996      662.8225 12.33542 661.1238 12.33435 1.698730       17.44416 
1 1 1 4  1  25  o 506.3616 8.265078 17.71624       0.5778906     17.96986       0.8201398     17.46615       0.8144118     509.7752 11.65122 502.5741 11.73562 7.201111       16.53710 
1 1 1 4  1  26  o 630.1286 8.615614 27.43760       0.7496412     28.08767       1.069088      26.80881       1.051438      637.2746 12.14924 622.5905 12.23047 14.68408       17.23915 
1 1 1 4  1  27  o 249.5031 7.766474 4.301054       0.2675702     4.428815       0.3793864     4.174610       0.3774240     253.0941 10.85580 245.7145 11.12399 7.379608       15.54321 
1 1 1 4  1  28  o 343.3924 7.912664 8.147478       0.3751901     8.332854       0.5324201     7.964617       0.5287964     347.1475 11.10714 339.3822 11.28396 7.765289       15.83339 
1 1 1 4  1  29  o 481.1824 8.202466 15.99908       0.5449945     16.01715       0.7711461     15.98105       0.7703319     481.2502 11.60454 480.7075 11.60537 0.5427551      16.41188 
1 1 1 4  1  30  o 204.3226 7.753219 2.884547       0.2187441     2.934215       0.3097107     2.835108       0.3089923     205.7049 10.94305 202.1772 11.11084 3.527740       15.59491 
1 1 1 4  1  31  o 193.5361 7.731845 2.588073       0.2066250     2.543992       0.2920481     2.632252       0.2923760     191.4808 11.09317 194.7998 10.91357 -3.319000      15.56163 
1 1 1 4  1  32  o 584.4907 8.484155 23.60970       0.6847376     23.77018       0.9705298     23.45064       0.9662149     586.1865 11.99044 582.2304 12.01824 3.956055       16.97671 
1 1 1 4  1  33  o 502.0756 8.262302 17.42071       0.5728068     17.33932       0.8093939     17.50238       0.8107500     500.6577 11.70796 503.0092 11.67275 -2.351501      16.53267 
1 1 1 4  1  34  o 261.0856 7.807303 4.710469       0.2814634     4.679607       0.3978841     4.741381       0.3982146     260.1105 11.07798 261.8243 11.01461 -1.713867      15.62189 
1 1 1 4  1  35  o 279.3362 7.831881 5.392264       0.3020864     5.272319       0.4264168     5.513113       0.4280171     276.0768 11.18578 282.3207 10.97944 -6.243896      15.67386 
1 1 1 4  1  36  o 147.1860 8.359960 1.502191       0.1692051     1.547399       0.2239802     1.442093       0.2582456     149.1657 10.95088 143.7281 13.15831 5.437592       17.11908 
1 1 1 4  1  37  o 571.9880 9.776059 22.62470       0.7721270     23.16750       1.099642      22.09681       1.084422      578.3502 13.76963 564.8101 13.90458 13.54016       19.56886 
1 1 1 4  1  38  o 548.2142 10.62974 20.79121       0.8046574     21.25147       1.278270      20.48912       1.035583      553.4310 16.72712 543.8450 13.79024 9.586060       21.67873 
1 1 1 4  1  39  o 614.4847 9.192429 26.11064       0.7799726     26.32132       1.034599      25.83325       1.187169      616.5945 12.15163 610.5623 14.08136 6.032227       18.59964 
1 1 1 4  1  40  o 119.3822 7.910985 0.9895252      0.1296702     1.002922       0.1835698     0.9761831      0.1831933     119.8537 11.22271 118.2149 11.36274 1.638840       15.97063 
1 1 1 4  1  41  o 309.0345 8.457947 6.603610       0.3609191     6.932599       0.4800338     6.175789       0.5474105     316.4739 10.98489 298.5245 13.27991 17.94943       17.23438 
1 1 1 4  1  42  o 256.1224 9.917977 4.539075       0.3507589     4.521023       0.5555970     4.551039       0.4522867     254.6861 15.87757 256.2720 12.78129 -1.585892      20.38280 
1 1 1 4  1  43  o 192.4732 9.939255 2.570713       0.2632554     2.598146       0.4169330     2.552525       0.3394874     192.7626 15.80305 191.4554 12.91709 1.307251       20.41048 
1 1 1 4  1  44  o 228.9306 8.371216 3.625206       0.2646248     3.632980       0.3499949     3.614832       0.4043300     229.0151 11.06776 227.9493 12.89866 1.065796       16.99620 
1 1 1 4  1  45  o 206.5553 7.823376 2.951039       0.2231354     2.981477       0.3156860     2.920649       0.3154364     207.1352 11.07746 204.9916 11.18619 2.143555       15.74297 
1 1 1 4  1  46  o 306.7569 7.924609 6.510251       0.3356681     6.514454       0.4746653     6.506046       0.4747475     306.5376 11.21414 306.3387 11.22336 0.1988831      15.86571 
1 1 1 4  1  47  o 293.5655 7.915874 5.963564       0.3208794     5.830217       0.4527786     6.098112       0.4548123     289.9221 11.31011 296.5324 11.10765 -6.610352      15.85239 
1 1 1 4  1  48  o 136.9315 7.947174 1.302186       0.1496174     1.388425       0.2120129     1.216631       0.2111716     141.0469 10.97216 131.8696 11.71933 9.177277       16.05400 
1 1 1 4  1  49  o 220.6641 7.871503 3.370857       0.2398431     3.377037       0.3391406     3.364673       0.3392382     220.2854 11.18623 219.8765 11.21070 0.4089355      15.83703 
1 1 1 4  1  50  o 130.7931 7.995806 1.189050       0.1437123     1.192322       0.2033499     1.185785       0.2031302     130.5246 11.39703 130.1614 11.41732 0.3631897      16.13219 
1 1 1 4  1  51  o 123.1968 8.050250 1.055809       0.1361922     1.071682       0.1926763     1.039960       0.1925334     123.6593 11.41278 121.7707 11.59036 1.888603       16.26616 
1 1 1 4  1  52  o 261.2629 7.934318 4.729677       0.2862367     4.651549       0.4041109     4.808340       0.4054921     258.6144 11.31644 262.9621 11.16738 -4.347626      15.89881 
1 1 1 4  1  53  o 340.4563 8.045275 8.035265       0.3782163     8.130665       0.5355297     7.940328       0.5342298     341.7846 11.34731 337.7343 11.45552 4.050293       16.12422 
1 1 1 4  1  54  o 279.3980 7.988778 5.413383       0.3082063     5.351886       0.4353606     5.475167       0.4363804     277.1810 11.37490 280.3778 11.27155 -3.196777      16.01363 
1 1 1 4  1  55  o 252.7005 7.974639 4.429291       0.2782628     4.547163       0.3940577     4.312057       0.3929904     255.4728 11.17062 248.7253 11.44258 6.747543       15.99110 
1 1 1 4  1  56  o 217.4619 7.957408 3.281194       0.2389422     3.350379       0.3382225     3.212262       0.3376090     218.9276 11.22606 214.3020 11.45051 4.625549       16.03554 
1 1 1 4  1  57  o 187.1026 9.237638 2.434248       0.2386595     2.369867       0.3364802     2.499428       0.3385604     183.4339 13.37660 188.4840 13.08955 -5.050156      18.71550 
1 1 1 4  1  58  o 174.0176 11.40150 2.123335       0.2724492     2.127341       0.3858515     2.119353       0.3847536     172.7937 16.36675 172.4710 16.35117 0.3226624      23.13507 
1 1 1 4  1  59  o 241.9859 10.12710 4.080812       0.3383864     4.136077       0.4378680     3.998867       0.5331908     242.5169 13.12449 237.2476 16.37608 5.269287       20.98639 
1 1 1 4  1  60  o 173.6193 8.589213 2.095564       0.2059157     2.130470       0.2721933     2.048855       0.3148619     174.2516 11.37501 170.3102 13.49937 3.941345       17.65287 
1 1 1 4  1  61  o 133.6701 8.799373 1.247770       0.1615062     1.155856       0.2126261     1.373125       0.2483122     127.9521 12.18164 139.3416 13.05792 -11.38952      17.85782 
1 1 1 4  1  62  o 355.6259 10.32871 8.816507       0.5071980     8.679040       0.6531560     9.025306       0.8049802     351.6664 13.45080 357.2485 16.31837 -5.582153      21.14742 
1 1 1 4  1  63  o 273.1447 11.48121 5.211394       0.4330305     5.673276       0.6141630     4.754785       0.6106474     283.1322 15.77190 258.5220 17.20451 24.61017       23.33984 
1 1 1 4  1  64  o 234.2016 10.23433 3.821508       0.3309692     3.660905       0.4251863     4.068446       0.5272254     228.0661 13.56259 239.5819 16.02940 -11.51585      20.99728 
1 1 1 4  1  65  o 106.4264 9.123575 0.7931744      0.1327802     0.7509032      0.1756348     0.8495614      0.2028511     102.8560 12.63190 109.2381 13.75309 -6.382141      18.67384 
1 1 1 4  1  66  o 61.87177 10.56845 0.2740067      0.8704821E-01 0.1453653      0.1154052     0.4437980      0.1325845     46.52375 15.41493 78.71507 12.62496 -32.19133      19.92510 
1 1 1 4  1  67  o 341.4615 8.749471 8.099313       0.4125358     7.881260       0.5438799     8.394723       0.6330471     336.0203 11.72194 346.2738 13.23971 -10.25351      17.68315 
1 1 1 4  1  68  o 247.5338 8.654290 4.255415       0.2958040     4.448532       0.3925085     4.001554       0.4500251     252.5748 11.25437 238.6007 13.71698 13.97411       17.74306 
1 1 1 4  1  69  o 97.59421 9.323662 0.6679954      0.1241173     0.5736380      0.1641846     0.7938305      0.1896031     89.50554 13.72215 105.7028 13.28375 -16.19725      19.09857 
1 1 1 4  1  70  o 236.1358 8.132787 3.869763       0.2651790     3.835438       0.3746933     3.904207       0.3753470     234.4652 11.57336 236.5755 11.49014 -2.110291      16.30846 
1 1 1 4  1  71  o 211.9351 8.700671 3.119684       0.2546207     3.216589       0.3891747     3.047160       0.3366790     213.9732 13.23687 208.6297 11.73462 5.343475       17.68944 
1 1 1 4  1  72  o 116.1557 9.130919 0.9434782      0.1452707     0.9269674      0.2223818     0.9557686      0.1918670     114.0513 14.44461 116.3607 12.11925 -2.309402      18.85532 
1 1 1 4  1  73  o 144.9267 8.929062 1.465199       0.1778167     1.370317       0.2715197     1.536452       0.2352942     138.9904 14.35417 147.9068 11.61426 -8.916321      18.46438 
1 1 1 4  1  74  o 82.04358 9.939148 0.4754075      0.1103008     0.4919395      0.1695659     0.4632811      0.1452252     82.27974 15.49323 80.21337 13.59734 2.066368       20.61377 
1 1 1 4  1  75  o 245.7548 8.769661 4.199317       0.2975930     4.095449       0.4543911     4.277332       0.3938019     241.1075 13.70497 247.3943 11.52790 -6.286789      17.90862 
1 1 1 4  1  76  o 262.6844 9.499823 4.805686       0.3445782     4.827238       0.5988743     4.795019       0.4213021     260.4150 16.74326 261.8209 11.65336 -1.405884      20.39945 
1 1 1 4  1  77  o 76.09196 12.52522 0.4162435      0.1270218     0.3460236      0.2038426     0.4608182      0.1624085     68.68408 20.16816 79.48738 15.35278 -10.80330      25.34684 
1 1 1 4  1  78  o 170.1620 11.94114 2.039289       0.2787963     1.802519       0.3950993     2.274098       0.3934608     157.7442 18.48981 178.3295 16.15400 -20.58528      24.55249 
1 1 1 4  1  79  f 141.0981 10.88846 1.401107       0.2105007     1.250085       0.3353574     1.499294       0.2704056     130.6375 19.16042 145.2239 13.64464 -14.58643      23.52228 
1 1 1 4  1  80  o 222.3065 9.624232 3.449930       0.2954311     2.879753       0.5096062     3.738558       0.3625755     199.3118 18.73664 230.9172 11.37114 -31.60541      21.91722 
1 1 1 4  1  81  o 111.3904 10.47211 0.8755997      0.1591811     0.6924248      0.2784510     0.9645216      0.1940083     95.70306 21.58534 116.5151 12.24171 -20.81203      24.81505 
1 1 1 4  1  82  o 163.9426 10.88636 1.891467       0.2450394     1.582939       0.3893917     2.093749       0.3152961     146.7245 19.71886 171.7073 13.40440 -24.98286      23.84347 
1 1 1 4  1  83  o 186.0832 12.16009 2.446164       0.3107330     2.006621       0.6105590     2.599806       0.3609788     160.4835 28.60105 191.2635 13.76016 -30.78008      31.73896 
1 1 1 4  1  84  o 109.4707 11.81659 0.8517595      0.1757864     0.8520325      0.2775601     0.8515766      0.2271482     107.0039 19.50397 108.3280 15.63841 -1.324081      24.99929 
1 1 1 4  1  85  o 77.05727 11.25200 0.4251673      0.1161943     0.5171917      0.1814820     0.3612384      0.1512623     83.77289 16.27538 69.82333 16.02794 13.94955       22.84257 
1 1 1 4  1  86  o 94.96579 10.41643 0.6390765      0.1343493     0.6375610      0.2088434     0.6401466      0.1754795     93.01595 16.88193 94.12111 13.92217 -1.105156      21.88210 
1 1 1 4  1  87  o 123.4681 9.782488 1.072899       0.1654140     1.096496       0.2550631     1.055771       0.2173081     123.1723 15.32832 121.5458 13.15790 1.626457       20.20118 
1 1 1 4  1  88  o 94.81220 10.69845 0.6382570      0.1376137     0.7710069      0.2137471     0.5442782      0.1798448     102.9076 15.52518 86.08251 15.70905 16.82507       22.08632 
1 1 1 4  1  89  o 124.4277 9.863719 1.090306       0.1680825     1.119079       0.2235547     1.052889       0.2549332     125.1409 13.13321 120.4791 15.69698 4.661850       20.46646 
1 1 1 4  1  90  o 109.1160 10.32538 0.8418313      0.1537225     0.8589643      0.2049890     0.8198157      0.2323692     109.2133 13.90872 105.8130 16.43722 3.400291       21.53218 
1 1 1 4  1  91  o 195.8428 9.250785 2.681592       0.2501636     2.606404       0.3315976     2.780914       0.3811188     191.6728 12.59910 197.3645 14.07701 -5.691727      18.89178 
1 1 1 4  1  92  o 63.05130 13.41505 0.2920866      0.1132065     0.2014554      0.1528491     0.4022116      0.1684872     53.65997 17.73840 73.35544 16.97107 -19.69547      24.54929 
1 1 1 4  1  93  o 59.94911 13.87913 0.2654848      0.1126230     0.2644487      0.1529656     0.2667114      0.1664311     59.76838 17.44835 60.20959 18.35497 -0.4412079     25.32488 
1 1 1 4  1  94  o 117.6313 10.56371 0.9806619      0.1697550     1.060521       0.2282132     0.8817436      0.2539899     121.2725 13.87813 109.0937 17.44887 12.17881       22.29497 
1 1 1 4  1  95  o 111.9310 10.87810 0.8913215      0.1660048     1.067772       0.2237619     0.6753209      0.2475721     121.6728 13.54856 94.14171 19.67860 27.53107       23.89165 
1 1 1 4  1  96  f 85.94439 12.33588 0.5350535      0.1421976     0.5026107      0.1921730     0.5743105      0.2113938     81.45588 17.59961 86.97701 18.18660 -5.521126      25.30807 
1 1 1 4  1  97  o 144.6507 12.16305 1.502033       0.2406860     1.555788       0.3118809     1.422878       0.3784624     145.3850 15.78955 135.9801 20.81896 9.404907       26.12927 
1 1 1 4  1  98  o 59.21819 16.74018 0.2669107      0.1429694     0.2676131      0.2344685     0.2664950      0.1803833     61.17107 21.89670 59.55198 19.24623 1.619095       29.15275 
1 1 1 4  1  99  o 139.6078 10.42452 1.394005       0.1995077     1.404758       0.2658389     1.380140       0.3018776     138.1885 14.13063 135.5119 16.47173 2.676529       21.70236 
1 1 1 4  1  100 o 102.8247 11.72130 0.7703463      0.1634481     0.6275985      0.2177657     0.9545164      0.2473515     89.45760 18.24751 111.9409 16.49708 -22.48333      24.59929 
1 1 1 4  1  101 o 28.60794 12.59336 -0.1668578E-01 0.9650335E-01 0.1382348      0.1358595     -0.1744521     0.1371017     45.49483 16.61478 26.84874 12.87195 18.64609       21.01756 
1 1 1 4  1  102 o 52.84085 16.52517 0.2159261      0.1339076     0.1427355      0.2098339     0.2662113      0.1739276     50.00297 20.02193 58.03658 18.90936 -8.033611      27.53981 
1 1 1 4  1  103 o 45.17904 15.84670 0.1460892      0.1222474     0.3400559      0.1656909     -0.8564073E-01 0.1811032     64.81731 17.91521 35.44836 16.26715 29.36895       24.19865 
1 1 1 4  1  104 f 57.62097 14.81528 0.2601767      0.1185334     0.2668045      0.1670810     0.2534607      0.1681875     57.61261 18.51292 56.39959 18.60538 1.213024       26.24668 
1 1 1 4  1  105 o 36.56387 14.11806 0.7549234E-01  0.1010709     0.1160088      0.1426242     0.3461982E-01  0.1432496     43.41304 16.76865 37.50841 15.91481 5.904636       23.11858 
1 1 1 4  1  106 o 43.06367 15.33192 0.1313116      0.1148053     0.1328288      0.1619900     0.1297806      0.1627309     45.87000 17.82792 45.68348 17.83709 0.1865158      25.21897 
1 1 1 4  1  107 o 42.80288 15.11102 0.1307744      0.1112955     0.1327342      0.1575636     0.1288230      0.1572283     45.56184 17.61762 45.24160 17.56944 0.3202362      24.88103 
1 1 1 4  1  108 o 35.37213 14.23278 0.5717520E-01  0.1065995     0.1003884      0.1516811     0.1500217E-01  0.1498445     42.73182 17.05324 36.88072 15.97072 5.851101       23.36400 
1 1 1 4  1  109 o 55.02314 15.28033 0.2395638      0.1202304     0.2193807      0.1709531     0.2593175      0.1691247     53.17778 18.73299 56.65157 18.65563 -3.473789      26.43780 
1 1 1 4  1  110 o 45.08165 15.07204 0.1525097      0.1102576     0.5549550E-01  0.1573276     0.2461462      0.1545645     40.06069 16.82010 55.32228 17.80905 -15.26159      24.49648 
1 1 1 4  1  111 o 35.70493 14.08898 0.6659330E-01  0.1024578     0.1063525      0.1471790     0.2920759E-01  0.1427184     42.70594 16.87514 36.90872 15.77866 5.797222       23.10273 
1 1 1 4  1  112 o 30.57935 12.81493 0.2477117E-01  0.9104206E-01 -0.7387890E-01 0.1296514     0.1207333      0.1278729     29.51591 13.62420 42.42310 16.00142 -12.90719      21.01581 
1 1 1 4  1  113 o 39.22031 14.04473 0.1094013      0.9647048E-01 0.6187749E-03  0.1376654     0.2143643      0.1352270     34.21148 15.05106 51.29629 16.67146 -17.08480      22.46046 
1 1 1 4  1  114 o 31.74676 12.92106 0.4525932E-01  0.8898256E-01 -0.1324198E-01 0.1270857     0.1015223      0.1246309     31.90224 14.22458 39.77437 15.58775 -7.872129      21.10253 
1 1 1 4  1  115 o 48.01976 16.16197 0.1947579      0.1267891     0.2095910      0.1813494     0.1805747      0.1773317     49.62657 18.97457 47.44736 18.59395 2.179211       26.56632 
1 1 1 4  1  116 o 54.32156 18.74003 0.2834584      0.1706235     0.9931670E-01  0.2500938     0.4437959      0.2333695     44.34621 19.85052 63.95787 21.92484 -19.61165      29.57604 
1 1 1 4  1  117 o 37.80288 16.02115 0.8788946E-01  0.1449019     -0.2869000     0.2111265     0.4216473      0.1992346     29.30845 14.46211 62.40125 20.23318 -33.09279      24.87035 
1 1 1 4  1  118 o 41.90393 17.07012 0.1664387      0.1554769     -0.7077949E-01 0.2242853     0.3858838      0.2157197     34.30796 16.45217 55.05886 20.77948 -20.75090      26.50397 
1 1 1 4  1  119 o 37.94534 16.22736 0.1399934      0.1510437     0.5850296E-01  0.2188839     0.2140746      0.2086962     35.85109 16.92021 41.75069 18.44213 -5.899601      25.02809 
1 1 1 4  1  120 o 31.50990 15.01093 0.3803690E-01  0.1802193     0.1281453      0.2599704     -0.4532959E-01 0.2500559     35.25962 17.10549 31.48163 15.57246 3.777990       23.13221 
1 1 1 4  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  135 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  0   o 330.2294 16.10448 7.592752       0.7303631     8.142714       1.040938      7.059476       1.025025      340.8100 22.33966 316.6688 23.74890 0.000000       0.000000 
1 1 1 4  2  1   o 497.1165 13.63022 17.09503       0.9356192     17.09004       1.144040      17.10509       1.625825      496.8039 16.67701 496.2842 23.72495 0.5197449      28.99993 
1 1 1 4  2  2   o 194.6102 11.12152 2.626722       0.2976198     2.582469       0.3436241     2.759596       0.5954350     192.7983 12.98310 198.2040 22.13424 -5.405701      25.66097 
1 1 1 4  2  3   o 249.7952 11.15387 4.313630       0.3847227     4.579319       0.4456939     3.536938       0.7620341     257.3287 12.54326 224.2370 25.03849 33.09169       28.00463 
1 1 1 4  2  4   o 915.0618 15.92089 57.96469       2.011666      57.43225       2.447600      59.07310       3.531457      910.2502 19.47340 921.2774 27.76039 -11.02716      33.90947 
1 1 1 4  2  5   o 1225.200 15.71301 103.9076       2.658301      102.7850       3.720456      105.0786       3.799605      1217.012 22.13928 1230.452 22.36330 -13.43994      31.46847 
1 1 1 4  2  6   o 433.8377 11.58328 13.01294       0.6938999     12.82935       0.9784558     13.19869       0.9842148     430.4573 16.46164 436.6198 16.32482 -6.162537      23.18373 
1 1 1 4  2  7   o 873.9074 13.58744 52.83023       1.639612      52.73711       2.315870      52.92381       2.321665      872.2889 19.22719 873.8291 19.24133 -1.540161      27.20135 
1 1 1 4  2  8   o 346.2263 11.37504 8.287439       0.5438146     8.647117       0.7741863     7.937112       0.7640538     353.4323 15.86358 338.5841 16.34253 14.84818       22.77568 
1 1 1 4  2  9   o 568.7816 12.08810 22.37013       0.9493835     22.79815       1.350783      21.95230       1.334625      573.7599 17.04973 563.0037 17.16761 10.75623       24.19546 
1 1 1 4  2  10  f 415.2049 11.55199 11.91915       0.6623036     11.91482       0.9365647     11.92348       0.9367129     414.8364 16.35019 414.9873 16.34684 -0.1508789     23.12029 
1 1 1 4  2  11  o 160.5591 11.13528 1.790699       0.2453476     1.843138       0.3478694     1.738796       0.3460852     162.4257 15.70649 157.6646 16.12369 4.761032       22.50927 
1 1 1 4  2  12  o 383.4083 16.28404 10.17772       0.8621082     10.48317       1.225173      9.878155       1.213324      387.9120 22.97552 376.4401 23.45890 11.47189       32.83587 
1 1 1 4  2  13  o 459.3576 23.60077 14.69243       1.491921      14.69243       1.491921      0.000000       0.000000      459.3576 23.60077 ?        ?        0.000000       23.60077 
1 1 1 4  2  14  o 253.3430 22.63939 4.490308       0.7836323     4.490308       0.7836323     0.000000       0.000000      253.3430 22.63939 ?        ?        0.000000       22.63939 
1 1 1 4  2  15  o 245.2485 13.17787 4.172255       0.4446259     3.173916       0.7490734     4.715331       0.5524786     212.0727 26.13293 260.5538 15.42475 -48.48111      30.34555 
1 1 1 4  2  16  o 221.4391 10.08803 3.389135       0.3084597     3.388335       0.4870644     3.389671       0.3985765     220.6450 16.09760 220.9861 13.12080 -0.3410950     20.76748 
1 1 1 4  2  17  o 200.6519 10.15563 2.789892       0.2804607     2.185939       0.4374993     3.211240       0.3654231     176.6962 18.19130 215.1359 12.35293 -38.43974      21.98905 
1 1 1 4  2  18  o 1226.247 14.13182 104.0427       2.392842      100.5671       3.668930      106.6152       3.156554      1203.704 22.07403 1240.368 18.42998 -36.66333      28.75634 
1 1 1 4  2  19  o 694.6240 10.47674 33.35312       1.004879      33.86198       1.438289      32.86786       1.404540      699.4686 14.89155 689.1395 14.76009 10.32910       20.96708 
1 1 1 4  2  20  o 216.5662 12.27754 3.253969       0.3656365     3.413597       0.4497241     2.942705       0.6279930     221.5952 14.78248 204.6398 22.60142 16.95546       27.00640 
1 1 1 4  2  21  o 846.5866 9.593205 49.53452       1.121433      50.91361       1.608905      48.23145       1.563941      857.8372 13.58274 834.9380 13.56526 22.89917       19.19654 
1 1 1 4  2  22  o 359.0239 8.150351 8.906154       0.4040524     8.712019       0.5712609     9.100500       0.5715719     354.9462 11.65558 362.7856 11.40993 -7.839417      16.31070 
1 1 1 4  2  23  f 351.8842 9.196175 8.557422       0.4468327     9.021206       0.5952725     7.958813       0.6762851     361.1701 11.93620 339.1046 14.44302 22.06549       18.73696 
1 1 1 4  2  24  o 455.4624 8.282557 14.33418       0.5209007     14.27863       0.7375816     14.38946       0.7357514     454.3881 11.75561 456.1530 11.68107 -1.764954      16.57232 
1 1 1 4  2  25  o 426.9767 9.344366 12.60035       0.5509244     13.35833       0.7371300     11.64114       0.8292252     439.4689 12.14725 410.0828 14.64411 29.38605       19.02645 
1 1 1 4  2  26  o 630.6966 8.805255 27.48984       0.7668323     28.25818       1.096550      26.75446       1.072770      639.1414 12.42492 621.8969 12.49252 17.24451       17.61936 
1 1 1 4  2  27  o 616.6464 8.711160 26.27872       0.7417374     27.27529       1.060277      25.32354       1.038027      627.9332 12.22836 605.0306 12.42491 22.90253       17.43304 
1 1 1 4  2  28  o 385.4539 8.199236 10.26686       0.4363990     11.02655       0.6223623     9.532046       0.6120889     399.3019 11.28766 371.2198 11.94113 28.08209       16.43173 
1 1 1 4  2  29  o 517.3746 8.405738 18.49837       0.6005082     18.30516       0.8454708     18.69507       0.8530738     514.4185 11.90266 519.8699 11.88376 -5.451416      16.81955 
1 1 1 4  2  30  o 346.2186 8.083235 8.283327       0.3864325     7.907729       0.5412236     8.673932       0.5519297     338.1153 11.59242 354.1344 11.28698 -16.01907      16.17962 
1 1 1 4  2  31  o 427.5012 8.214779 12.63011       0.4849212     12.61728       0.6827072     12.64317       0.6888991     427.0784 11.57681 427.5096 11.67002 -0.4312134     16.43813 
1 1 1 4  2  32  o 444.6342 8.277124 13.66345       0.5081832     13.22428       0.7128345     14.11733       0.7246706     437.1975 11.80791 451.7336 11.61770 -14.53613      16.56496 
1 1 1 4  2  33  o 324.1281 7.987577 7.260615       0.3574948     7.181128       0.5036643     7.341319       0.5075055     322.1874 11.32126 325.7633 11.28238 -3.575958      15.98320 
1 1 1 4  2  34  o 388.4340 8.748926 10.43001       0.4692561     10.91406       0.6224182     9.792513       0.7142825     397.1763 11.34909 376.0310 13.75651 21.14536       17.83377 
1 1 1 4  2  35  o 542.1174 10.74008 20.33069       0.8039684     19.42065       1.251342      20.97041       1.049158      529.0406 17.12967 550.2261 13.80899 -21.18549      22.00259 
1 1 1 4  2  36  o 416.6972 10.32024 12.01102       0.5938109     12.39633       0.9403586     11.75547       0.7658143     422.7484 16.10918 411.9645 13.46250 10.78397       20.99392 
1 1 1 4  2  37  o 230.3163 8.435113 3.667257       0.2682585     3.910906       0.3557982     3.346303       0.4083597     237.7403 10.83835 219.3600 13.54810 18.38025       17.34995 
1 1 1 4  2  38  o 503.5542 8.924365 17.53453       0.6205282     17.88249       0.8242944     17.07942       0.9426937     508.2292 11.74586 496.4321 13.75222 11.79706       18.08559 
1 1 1 4  2  39  o 380.4661 8.641188 10.00992       0.4539703     9.576388       0.5967066     10.60568       0.6994979     371.8972 11.61983 391.2377 12.94815 -19.34048      17.39756 
1 1 1 4  2  40  o 271.1104 9.161346 5.084207       0.3429600     5.176113       0.5951226     5.038508       0.4196518     272.5779 15.88047 269.7584 11.26616 2.819427       19.47090 
1 1 1 4  2  41  o 323.9935 10.10711 7.265536       0.4521692     7.263663       0.7162663     7.266778       0.5830306     323.3381 16.04278 323.7521 13.04190 -0.4139404     20.67515 
1 1 1 4  2  42  o 172.3750 8.437016 2.055318       0.2008173     2.076410       0.2657352     2.027234       0.3066323     172.7740 11.19898 170.4662 13.12793 2.307800       17.25571 
1 1 1 4  2  43  o 381.2989 8.089433 10.05719       0.4259137     10.04040       0.6022450     10.07400       0.6024209     380.6114 11.45918 381.2498 11.44333 -0.6384583     16.19452 
1 1 1 4  2  44  o 281.4676 7.948953 5.480924       0.3089416     5.336723       0.4360066     5.626326       0.4378177     277.4426 11.38104 284.8971 11.12929 -7.454498      15.91820 
1 1 1 4  2  45  o 180.9925 7.922775 2.266716       0.1980049     2.269916       0.2800694     2.263519       0.2799732     180.5653 11.28962 180.3079 11.30224 0.2573700      15.97486 
1 1 1 4  2  46  o 376.4492 8.110208 9.809459       0.4215764     9.843218       0.5968424     9.775845       0.5955579     376.6086 11.47708 375.3151 11.49185 1.293579       16.24149 
1 1 1 4  2  47  o 249.3950 7.941970 4.305729       0.2734979     4.198769       0.3860126     4.413550       0.3875609     245.9332 11.36701 252.1733 11.13020 -6.240128      15.90881 
1 1 1 4  2  48  o 253.6616 7.934289 4.455279       0.2779078     4.358703       0.3923827     4.552487       0.3936622     250.5194 11.34307 256.0554 11.13402 -5.535950      15.89439 
1 1 1 4  2  49  o 74.23170 8.693382 0.3870415      0.8742035E-01 0.4431513      0.1234437     0.3305899      0.1238192     79.01671 11.66464 67.68528 13.71794 11.33143       18.00683 
1 1 1 4  2  50  o 169.9993 7.935551 2.002231       0.1862782     1.957330       0.2630509     2.047396       0.2638252     167.3855 11.44984 171.2501 11.21901 -3.864563      16.03013 
1 1 1 4  2  51  o 170.5058 8.493261 2.015940       0.1999640     2.087785       0.2647966     1.920599       0.3050371     172.8951 11.15099 165.3509 13.47730 7.544205       17.49235 
1 1 1 4  2  52  f 240.3484 8.517868 4.007587       0.2826898     4.050205       0.3742407     3.950959       0.4313902     241.1943 11.23689 237.4899 13.20708 3.704422       17.34055 
1 1 1 4  2  53  o 287.7195 8.558711 5.745296       0.3400288     5.733868       0.4497747     5.760540       0.5194660     286.8665 11.35474 287.0989 13.10351 -0.2323608     17.33875 
1 1 1 4  2  54  o 182.8687 8.544365 2.321579       0.2157531     2.371844       0.2856935     2.254863       0.3291403     184.1243 11.29155 179.0215 13.41238 5.102859       17.53257 
1 1 1 4  2  55  o 144.4135 8.667881 1.453776       0.1720460     1.374249       0.2272532     1.560561       0.2633343     139.7960 11.88548 148.7936 12.94599 -8.997528      17.57450 
1 1 1 4  2  56  o 242.4935 10.12451 4.095488       0.3390097     4.143642       0.5362390     4.063428       0.4375413     241.7917 16.15421 240.4567 13.22872 1.335007       20.87959 
1 1 1 4  2  57  o 137.5436 11.59826 1.330820       0.2182229     1.397309       0.3091738     1.264810       0.3080570     139.7314 16.33212 132.5871 17.23391 7.144379       23.74333 
1 1 1 4  2  58  o 332.9856 9.368396 7.717658       0.4307533     7.443840       0.5254423     8.278798       0.7521949     326.3008 11.66189 342.2781 15.91524 -15.97729      19.73055 
1 1 1 4  2  59  o 216.9209 8.576601 3.271105       0.2568944     3.239150       0.3393689     3.313988       0.3931406     214.9844 11.47360 216.9483 13.18615 -1.963913      17.47908 
1 1 1 4  2  60  o 361.1079 9.434916 9.077164       0.4704496     9.000922       0.5759284     9.230050       0.8155579     358.8289 11.62366 361.1872 16.35251 -2.358276      20.06276 
1 1 1 4  2  61  o 357.8769 11.57256 8.949410       0.5718749     8.864704       0.8080756     9.034402       0.8094324     353.9855 16.53212 357.4259 16.40048 -3.440399      23.28705 
1 1 1 4  2  62  o 254.7607 11.45050 4.532811       0.4028050     4.418966       0.5670351     4.648782       0.5723061     249.4849 16.55393 256.0327 16.27255 -6.547729      23.21268 
1 1 1 4  2  63  o 152.3204 9.494978 1.620468       0.1987116     1.561866       0.2420997     1.741454       0.3478610     149.0469 11.86158 156.2233 16.36893 -7.176437      20.21482 
1 1 1 4  2  64  o 139.1244 8.247762 1.348598       0.1577378     1.357430       0.2228224     1.339726       0.2233283     138.9417 11.72367 138.0026 11.83424 0.9390259      16.65814 
1 1 1 4  2  65  o 205.2641 8.061445 2.924323       0.2284883     3.018159       0.3234255     2.830827       0.3228377     207.7025 11.31973 201.0480 11.67944 6.654510       16.26486 
1 1 1 4  2  66  o 101.0738 8.596834 0.7145031      0.1188424     0.6570401      0.1675878     0.7726302      0.1685533     96.08094 12.96275 104.5498 11.88683 -8.468872      17.58776 
1 1 1 4  2  67  o 105.5749 8.547407 0.7789524      0.1235350     0.7597211      0.1745735     0.7982418      0.1748366     103.5502 12.45934 106.2448 12.13525 -2.694565      17.39251 
1 1 1 4  2  68  o 223.0799 8.094184 3.453489       0.2493283     3.390925       0.3523305     3.516246       0.3528769     220.1535 11.63136 224.2446 11.43426 -4.091064      16.31046 
1 1 1 4  2  69  o 154.7543 8.251939 1.666971       0.1756976     1.653188       0.2489092     1.680659       0.2480410     153.4556 11.83831 154.7644 11.69314 -1.308823      16.63956 
1 1 1 4  2  70  o 158.0901 8.842735 1.741568       0.1922582     1.841562       0.2958014     1.668430       0.2529810     161.6441 13.37273 154.1259 11.98122 7.518204       17.95493 
1 1 1 4  2  71  o 219.4838 8.710596 3.346405       0.2639905     3.426921       0.4053130     3.287082       0.3479058     220.8122 13.35605 216.6999 11.66994 4.112305       17.73616 
1 1 1 4  2  72  o 193.8977 8.740862 2.612356       0.2340264     2.511034       0.3588349     2.687352       0.3087172     188.7062 13.86832 195.8884 11.46334 -7.182190      17.99273 
1 1 1 4  2  73  o 192.1678 8.767520 2.566853       0.2326458     2.650031       0.3578192     2.505943       0.3062005     193.9351 13.44494 189.0077 11.79126 4.927338       17.88296 
1 1 1 4  2  74  o 26.83327 10.88356 0.2068630E-01  0.6287324E-01 0.2169867      0.1028178     -0.9655911E-01 0.7946131E-01 54.54035 13.67718 21.24356 10.07611 33.29680       16.98803 
1 1 1 4  2  75  o 74.47728 10.55745 0.3945352      0.1055330     0.5158002      0.1650568     0.3106837      0.1372527     84.40575 14.69589 65.05927 15.49922 19.34648       21.35872 
1 1 1 4  2  76  o 111.1527 11.26805 0.8725304      0.1705544     0.8528471      0.2710797     0.8854274      0.2194274     107.7807 18.90385 111.1403 14.65566 -3.359558      23.91953 
1 1 1 4  2  77  o 207.3477 11.75544 3.021798       0.3351859     3.003813       0.4767874     3.039371       0.4713088     204.7668 17.01686 206.1170 16.70340 -1.350174      23.84485 
1 1 1 4  2  78  o 130.9798 10.93461 1.208668       0.1959549     1.211332       0.3145567     1.206979       0.2504994     128.9212 18.17428 130.0117 14.18372 -1.090530      23.05390 
1 1 1 4  2  79  o 158.3006 9.843204 1.756729       0.2140923     1.553985       0.3722742     1.856919       0.2616984     145.8675 18.92900 162.2532 11.76056 -16.38570      22.28492 
1 1 1 4  2  80  o 211.3180 10.55532 3.125592       0.3079966     2.805019       0.4876744     3.338304       0.3972481     196.8595 18.14478 217.1399 13.31330 -20.28046      22.50504 
1 1 1 4  2  81  o 131.1636 12.61546 1.222212       0.2256650     1.193920       0.4685202     1.230758       0.2575023     123.3597 28.12934 131.0515 14.47128 -7.691772      31.63349 
1 1 1 4  2  82  o 113.1013 15.58161 0.9261361      0.2368824     0.000000       0.000000      0.9261361      0.2368824     ?        ?        113.1013 15.58161 0.000000       15.58161 
1 1 1 4  2  83  o 171.2849 9.938821 2.058465       0.2340566     2.017186       0.3293918     2.100563       0.3326440     168.1179 14.32596 171.6424 14.16161 -3.524506      20.14409 
1 1 1 4  2  84  o 129.5224 9.505108 1.178266       0.1688093     1.039861       0.2574192     1.282694       0.2236016     119.7607 15.96399 134.4612 12.17520 -14.70049      20.07697 
1 1 1 4  2  85  o 124.5728 9.665847 1.091317       0.1649633     1.136272       0.2522734     1.057735       0.2180395     125.6279 14.82863 121.6790 13.18831 3.948853       19.84489 
1 1 1 4  2  86  o 80.77667 11.27974 0.4667878      0.1223797     0.5649461      0.1872777     0.3936346      0.1616736     87.65671 16.06460 72.79053 16.46987 14.86617       23.00713 
1 1 1 4  2  87  o 77.61535 11.63218 0.4326373      0.1208253     0.5170568      0.1846757     0.3694567      0.1597643     83.59964 16.58359 70.43642 16.68337 13.16322       23.52340 
1 1 1 4  2  88  o 166.2257 9.394189 1.937686       0.2147404     2.001835       0.3279818     1.889554       0.2841005     167.2746 14.33838 163.0970 12.71549 4.177505       19.16436 
1 1 1 4  2  89  o 94.34328 10.18655 0.6306543      0.1305957     0.6637895      0.1851343     0.5978354      0.1842492     95.63675 14.47160 90.40755 15.30536 5.229195       21.06374 
1 1 1 4  2  90  o 69.49923 11.67933 0.3488809      0.1081065     0.2209103      0.1523713     0.4785942      0.1534052     55.54865 17.66132 80.96475 14.24161 -25.41610      22.68800 
1 1 1 4  2  91  o 103.5259 9.951371 0.7576812      0.1405031     0.7906373      0.1989887     0.7249150      0.1984154     104.5742 14.14340 99.83365 14.84515 4.740547       20.50400 
1 1 1 4  2  92  o 89.15678 10.82983 0.5667072      0.1305883     0.6476334      0.1855041     0.4872038      0.1838662     94.23444 14.73919 80.79248 17.01872 13.44196       22.51401 
1 1 1 4  2  93  o 79.98933 11.76119 0.4608565      0.1260252     0.4635282      0.1791515     0.4582393      0.1773157     78.68574 16.98633 78.25015 16.90449 0.4355850      23.96450 
1 1 1 4  2  94  o 84.56519 11.70215 0.5146608      0.1329835     0.4683372      0.1893336     0.5597651      0.1868255     78.72202 17.83138 86.79804 16.18328 -8.076027      24.08021 
1 1 1 4  2  95  o 78.37732 12.24533 0.4459748      0.1281902     0.4893668      0.1833813     0.4045088      0.1792654     80.59258 17.01283 72.91248 17.93040 7.680099       24.71712 
1 1 1 4  2  96  o 101.5441 12.67700 0.7472191      0.1738776     1.212510       0.2449358     0.2745286      0.2468759     129.1154 13.96067 62.53727 22.45980 66.57813       26.44510 
1 1 1 4  2  97  o 34.67304 14.62643 0.1860463E-01  0.1198724     0.3749355E-02  0.2229143     0.2464802E-01  0.1421798     44.67875 19.41336 37.74421 15.92605 6.934540       25.11011 
1 1 1 4  2  98  o 64.19927 15.14192 0.3136071      0.1320524     0.5129650      0.1814707     0.8923515E-01  0.1925192     81.88882 16.61678 46.49771 18.97434 35.39111       25.22187 
1 1 1 4  2  99  o 29.40954 12.75396 -0.5604719E-02 0.9583992E-01 0.1059038      0.1328164     -0.1267460     0.1384343     42.66693 16.25616 28.97618 13.60711 13.69075       21.19944 
1 1 1 4  2  100 o 28.94385 12.82518 -0.2360050E-01 0.1017042     -0.1264704     0.1338453     0.1169472      0.1564482     28.26035 13.30515 45.12394 17.52523 -16.86358      22.00365 
1 1 1 4  2  101 o 49.82450 17.17541 0.1831053      0.1433086     -0.4315729E-01 0.2062053     0.3944856      0.1993085     39.95175 17.94407 69.31335 19.82512 -29.36161      26.73995 
1 1 1 4  2  102 o 57.82141 18.45834 0.2664505      0.1663053     0.1249263      0.2226821     0.4449376      0.2500769     49.48773 20.32476 71.89552 22.59904 -22.40779      30.39428 
1 1 1 4  2  103 o 57.88537 16.80058 0.2674075      0.1421876     0.1203865      0.1726067     0.5778136      0.2508032     45.87130 18.22756 81.89508 21.79503 -36.02378      28.41245 
1 1 1 4  2  104 o 43.46544 15.54483 0.1328228      0.1181425     0.5108291E-01  0.1582059     0.2358714      0.1776343     40.00216 16.83495 54.86336 19.11009 -14.86120      25.46784 
1 1 1 4  2  105 o 28.78530 12.88245 -0.2974840E-01 0.1052743     -0.4490303E-01 0.1417650     -0.1111717E-01 0.1571871     32.69437 14.76337 36.19736 15.99636 -3.502998      21.76788 
1 1 1 4  2  106 o 43.04577 15.76428 0.1272013      0.1224284     0.3725720E-01  0.1630512     0.2434511      0.1853676     39.47390 16.87000 55.42354 19.50865 -15.94964      25.79116 
1 1 1 4  2  107 o 32.28095 13.70339 0.1954704E-01  0.1062870     -0.1668211E-03 0.1409376     0.4554444E-01  0.1618475     35.03529 15.32544 39.86222 16.91512 -4.826935      22.82521 
1 1 1 4  2  108 o 29.48916 12.86041 -0.4694058E-02 0.9857854E-01 0.2095656E-01  0.1301151     -0.3925562E-01 0.1510343     35.18040 15.05350 34.04294 15.31765 1.137455       21.47646 
1 1 1 4  2  109 o 34.15920 13.88128 0.4836797E-01  0.1024972     -0.1349647     0.1412338     0.2523682      0.1489821     28.56226 13.51422 55.97094 17.41852 -27.40868      22.04629 
1 1 1 4  2  110 o 40.79546 14.48158 0.1170282      0.1023516     0.1109102      0.1406291     0.1239192      0.1492493     42.66000 16.60240 44.25786 17.13723 -1.597862      23.86052 
1 1 1 4  2  111 o 51.42490 15.11159 0.2101626      0.1144031     0.1948241      0.1597459     0.2263122      0.1639156     50.34501 18.06831 53.16781 18.36648 -2.822807      25.76415 
1 1 1 4  2  112 o 50.75390 14.69951 0.2061025      0.1089511     0.1895903      0.1528794     0.2231438      0.1553097     49.30456 17.67775 52.34982 17.88630 -3.045261      25.14802 
1 1 1 4  2  113 o 44.92006 14.70399 0.1596355      0.1051230     0.1047407      0.1471661     0.2168271      0.1502135     41.63201 16.73311 51.11011 17.58627 -9.478100      24.27497 
1 1 1 4  2  114 o 31.25890 13.28792 0.2703431E-01  0.1001839     -0.4206845E-01 0.1300583     0.1278683      0.1571065     30.43790 13.89945 43.20520 17.31594 -12.76730      22.20442 
1 1 1 4  2  115 o 49.06083 17.96383 0.2139573      0.1589658     0.1469916      0.2290737     0.2761610      0.2207787     46.20363 19.87734 53.39577 20.79626 -7.192139      28.76792 
1 1 1 4  2  116 o 45.50126 17.69694 0.1850375      0.1597046     0.3979883      0.2280051     -0.2007060E-01 0.2237672     59.32476 21.54547 37.73915 17.58358 21.58562       27.80988 
1 1 1 4  2  117 o 74.38757 19.52551 0.5907014      0.2030972     0.6807587      0.2884626     0.5021757      0.2859990     69.15187 24.33682 58.70747 23.42039 10.44440       33.77567 
1 1 1 4  2  118 o 50.53062 18.75569 0.3148376      0.1742875     0.5201628      0.2473857     0.1124927      0.2455837     57.99456 22.16456 39.13707 18.29692 18.85749       28.74100 
1 1 1 4  2  119 o 28.99416 14.06913 -0.6207714E-01 0.1761373     0.1462465      0.2696436     -0.2171296     0.2326270     36.92374 17.79177 28.54058 14.26358 8.383162       22.80343 
1 1 1 4  2  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  134 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  2   o 171.2259 15.89948 2.046992       0.3716246     2.046992       0.3716246     0.000000       0.000000      171.2259 15.89948 ?        ?        0.000000       15.89948 
1 1 1 4  3  3   o 271.2044 15.88704 5.109208       0.5923502     5.109208       0.5923502     0.000000       0.000000      271.2044 15.88704 ?        ?        0.000000       15.88704 
1 1 1 4  3  4   o 257.5908 15.79672 4.610566       0.5591562     4.610566       0.5591562     0.000000       0.000000      257.5908 15.79672 ?        ?        0.000000       15.79672 
1 1 1 4  3  5   o 298.4241 15.93414 6.182930       0.6542248     6.182930       0.6542248     0.000000       0.000000      298.4241 15.93414 ?        ?        0.000000       15.93414 
1 1 1 4  3  6   o 247.7052 11.14781 4.241940       0.3812965     4.214701       0.5374351     4.269546       0.5410525     246.2290 15.89181 247.8320 15.89424 -1.602997      22.47613 
1 1 1 4  3  7   o 338.3544 11.32361 7.915157       0.5290475     7.824071       0.7469937     8.006828       0.7493843     336.1623 16.09274 340.0737 15.95856 -3.911407      22.66389 
1 1 1 4  3  8   o 485.3784 11.77225 16.29032       0.7890019     16.01965       1.111172      16.56556       1.120522      480.9564 16.73160 489.0951 16.59163 -8.138702      23.56329 
1 1 1 4  3  9   o 309.7380 11.28771 6.632981       0.4827681     6.329837       0.6784807     6.943855       0.6870748     301.9070 16.33597 316.7044 15.71129 -14.79739      22.66515 
1 1 1 4  3  10  o 359.7314 11.42414 8.947383       0.5674658     8.845349       0.8005378     9.050431       0.8045126     357.4106 16.22095 361.5370 16.11543 -4.126434      22.86540 
1 1 1 4  3  11  f 554.9131 12.05583 21.29444       0.9237618     20.80506       1.298920      21.79524       1.314003      548.0413 17.16451 560.9526 16.96416 -12.91138      24.13303 
1 1 1 4  3  12  o 342.9286 11.36201 8.131123       0.5380180     8.028584       0.7603301     8.233954       0.7614158     340.5043 16.17118 344.8432 15.99051 -4.338928      22.74210 
1 1 1 4  3  13  o 331.6480 11.38115 7.605117       0.5211964     7.504100       0.7361336     7.706657       0.7380361     329.1885 16.19474 333.6124 16.02129 -4.423920      22.78050 
1 1 1 4  3  14  f 768.0954 13.04002 40.81226       1.383029      40.23664       1.944496      41.40157       1.967504      761.9064 18.48279 772.8647 18.43631 -10.95831      26.10577 
1 1 1 4  3  15  o 581.6414 12.25014 23.39809       0.9838622     23.37845       1.391012      23.41775       1.391771      580.8864 17.34210 581.3749 17.33698 -0.4885254     24.52181 
1 1 1 4  3  16  o 459.7235 11.72773 14.61533       0.7444724     14.93899       1.058944      14.29902       1.046847      464.4149 16.51311 454.3431 16.68635 10.07181       23.47588 
1 1 1 4  3  17  o 627.7817 12.39047 27.25995       1.074075      27.24404       1.520172      27.27582       1.517773      627.0173 17.55800 627.3879 17.51995 -0.3706055     24.80387 
1 1 1 4  3  18  o 372.3774 11.48985 9.588966       0.5907935     9.366310       0.8329605     9.814366       0.8380794     367.7226 16.40462 376.4361 16.12337 -8.713501      23.00162 
1 1 1 4  3  19  o 928.5229 13.90553 59.66629       1.782863      59.62707       2.518378      59.70570       2.524332      927.1126 19.67208 927.7161 19.70576 -0.6035156     27.84435 
1 1 1 4  3  20  o 511.0301 11.94031 18.06248       0.8425587     17.54989       1.181877      18.59223       1.201481      503.2644 17.00741 518.0171 16.79712 -14.75266      23.90387 
1 1 1 4  3  21  o 555.9208 12.12322 21.37708       0.9306130     20.91312       1.306194      21.85536       1.326205      549.3317 17.22008 561.5849 17.10241 -12.25323      24.26981 
1 1 1 4  3  22  f 299.2529 11.39443 6.193239       0.4708354     6.240813       0.6648479     6.145372       0.6668804     299.7172 16.12398 297.3897 16.30205 2.327454       22.92902 
1 1 1 4  3  23  o 278.0295 9.444891 5.343242       0.3625983     5.138599       0.5102346     5.552037       0.5153871     272.4819 13.56108 283.2507 13.17724 -10.76880      18.90879 
1 1 1 4  3  24  o 547.9415 9.898157 20.75649       0.7489045     20.48215       1.053366      21.03690       1.064951      543.9442 14.02449 551.2648 13.99043 -7.320618      19.80956 
1 1 1 4  3  25  o 318.9837 9.305663 7.033462       0.4098773     6.970736       0.5778899     7.096959       0.5814344     317.3653 13.18705 320.2280 13.14932 -2.862701      18.62265 
1 1 1 4  3  26  o 387.3701 9.471896 10.37337       0.5066418     10.40510       0.7157133     10.34151       0.7172888     387.7143 13.36870 386.5226 13.43944 1.191742       18.95629 
1 1 1 4  3  27  o 285.2241 9.243585 5.623807       0.3640530     5.580741       0.5139337     5.667180       0.5157685     283.9483 13.10780 286.1418 13.05375 -2.193512      18.49905 
1 1 1 4  3  28  o 311.2130 9.299096 6.695734       0.3996101     6.708817       0.5655571     6.682691       0.5647119     311.3108 13.15662 310.7037 13.16263 0.6071167      18.61052 
1 1 1 4  3  29  o 474.8461 10.58951 15.59501       0.6943310     15.76786       0.9009166     15.34215       1.089650      477.1878 13.67279 470.3503 16.77752 6.837463       21.64325 
1 1 1 4  3  30  o 363.4003 10.30413 9.133591       0.5170525     9.719273       0.6754974     8.304932       0.8034907     374.6716 13.05674 346.0187 16.81680 28.65292       21.29045 
1 1 1 4  3  31  o 157.7443 10.13270 1.728081       0.2195397     1.645722       0.3478622     1.782599       0.2830243     153.1256 16.72404 159.9359 12.92611 -6.810333      21.13712 
1 1 1 4  3  32  o 228.1694 9.191343 3.599833       0.2895838     3.961789       0.5066202     3.424183       0.3529217     238.5402 15.46427 222.1376 11.54564 16.40257       19.29885 
1 1 1 4  3  33  o 98.45020 9.418988 0.6764070      0.1264812     0.7079124      0.1795701     0.6453873      0.1781807     100.2233 13.30440 95.52047 13.91812 4.702866       19.25412 
1 1 1 4  3  34  o 216.0831 9.223826 3.229106       0.2752136     3.314567       0.3378997     3.060684       0.4743533     218.5483 11.23502 209.3392 16.54502 9.209015       19.99908 
1 1 1 4  3  35  f 369.2799 9.475428 9.432651       0.4831617     9.590452       0.6860915     9.277396       0.6805300     372.0123 13.35632 365.8786 13.47015 6.133698       18.96935 
1 1 1 4  3  36  f 263.4529 9.274005 4.801054       0.3373713     4.360236       0.5829975     5.022995       0.4136724     249.9433 16.99315 269.3618 11.12199 -19.41849      20.30926 
1 1 1 4  3  37  o 365.0811 9.439634 9.221387       0.4758637     8.915240       0.8244591     9.374327       0.5827271     358.1769 16.66992 367.9128 11.47050 -9.735931      20.23508 
1 1 1 4  3  38  o 256.3156 9.221165 4.545634       0.3263614     4.536268       0.4626497     4.554910       0.4604478     255.4315 13.16191 255.9693 13.07088 -0.5377960     18.54949 
1 1 1 4  3  39  o 99.53342 8.870167 0.6908779      0.1206322     0.6486879      0.1591372     0.7478706      0.1849594     95.95724 12.29299 102.9821 13.31906 -7.024872      18.12498 
1 1 1 4  3  40  o 84.52138 8.503386 0.4992702      0.9789513E-01 0.5096153      0.1386215     0.4889778      0.1382684     84.87072 12.17756 83.05789 12.43879 1.812828       17.40737 
1 1 1 4  3  41  f 335.6477 8.089828 7.795030       0.3749393     7.704103       0.5285764     7.887112       0.5319279     333.3177 11.48448 337.2614 11.42216 -3.943665      16.19750 
1 1 1 4  3  42  o 233.9044 7.968514 3.785961       0.2573676     3.743810       0.3625093     3.828799       0.3654541     232.3311 11.29988 234.9568 11.26437 -2.625671      15.95535 
1 1 1 4  3  43  o 100.4615 8.295982 0.7034373      0.1140520     0.7427219      0.1607881     0.6636547      0.1618043     102.8149 11.52383 96.97913 12.36428 5.835747       16.90190 
1 1 1 4  3  44  o 138.7638 8.073998 1.337584       0.1540358     1.356280       0.2171186     1.318638       0.2185676     139.3182 11.38580 137.3217 11.63622 1.996536       16.27999 
1 1 1 4  3  45  o 228.5789 8.543217 3.619356       0.2696470     3.508637       0.3546866     3.770981       0.4150701     224.4657 11.48188 232.4567 12.98316 -7.991028      17.33193 
1 1 1 4  3  46  o 253.6316 8.557205 4.457405       0.2996908     4.445534       0.3949653     4.473515       0.4601073     252.9539 11.30784 253.1240 13.20980 -0.1700592     17.38867 
1 1 1 4  3  47  o 205.4283 8.609803 2.925265       0.2442257     2.813039       0.3214454     3.078510       0.3756233     200.7875 11.64398 209.8081 13.03000 -9.020569      17.47464 
1 1 1 4  3  48  o 298.9947 8.617551 6.199286       0.3557831     6.089777       0.4684771     6.348517       0.5468787     295.8428 11.46804 301.7005 13.12735 -5.857697      17.43110 
1 1 1 4  3  49  o 80.22438 9.422839 0.4529300      0.1023943     0.4223472      0.1352851     0.4939469      0.1566727     76.72108 13.24919 82.92427 14.19306 -6.203194      19.41608 
1 1 1 4  3  50  o 170.7663 8.605109 2.028814       0.2022549     1.982929       0.2666880     2.090936       0.3103044     168.3034 11.54533 172.5074 13.12540 -4.204041      17.48058 
1 1 1 4  3  51  o 212.4267 8.575799 3.132446       0.2515485     3.011144       0.3312313     3.297735       0.3866506     207.4922 11.60744 216.8315 12.97349 -9.339218      17.40816 
1 1 1 4  3  52  o 146.4599 8.678471 1.494904       0.1747267     1.480039       0.2305614     1.514959       0.2678010     145.1964 11.59662 146.5140 13.38500 -1.317566      17.70988 
1 1 1 4  3  53  o 245.9577 8.651078 4.202818       0.2938114     4.275846       0.3883440     4.105060       0.4493170     247.5276 11.36201 241.6383 13.52057 5.889297       17.66072 
1 1 1 4  3  54  o 63.20687 11.93185 0.2881479      0.1003207     0.2446154      0.1567146     0.3183732      0.1305832     58.50441 17.80578 66.03159 14.69979 -7.527184      23.08960 
1 1 1 4  3  55  o 180.5821 11.52691 2.287401       0.2859260     2.599320       0.4062729     1.981287       0.4024748     191.3738 15.50772 166.1630 17.81959 25.21078       23.62260 
1 1 1 4  3  56  o 137.9364 9.439932 1.330586       0.1787175     1.286827       0.2183325     1.419444       0.3111237     135.1475 11.81847 140.7769 16.30726 -5.629379      20.13959 
1 1 1 4  3  57  o 119.3104 9.604891 0.9975007      0.1568969     0.9725866      0.1920760     1.047458       0.2719875     117.3098 12.02779 120.5303 16.79904 -3.220520      20.66096 
1 1 1 4  3  58  o 144.4761 9.438536 1.458936       0.1872601     1.460518       0.2638670     1.457330       0.2657950     143.6577 13.45892 143.4695 13.57833 0.1881714      19.11841 
1 1 1 4  3  59  o 183.4765 9.370406 2.348403       0.2366062     2.178793       0.4068760     2.435066       0.2908381     174.6077 17.09494 186.3960 11.35408 -11.78827      20.52199 
1 1 1 4  3  60  o 75.74881 10.89142 0.4081944      0.1106434     0.3664841      0.1548272     0.4517269      0.1581732     70.68704 16.20811 78.85595 15.07598 -8.168907      22.13567 
1 1 1 4  3  61  o 107.1137 9.104745 0.8034151      0.1333870     0.7394478      0.1752283     0.8915528      0.2056869     102.0283 12.71369 111.9713 13.58128 -9.943031      18.60347 
1 1 1 4  3  62  o 77.77417 9.022627 0.4259794      0.9509598E-01 0.4103803      0.1342917     0.4416690      0.1346812     75.46032 13.37801 78.45883 12.87858 -2.998512      18.56957 
1 1 1 4  3  63  f 111.9759 9.067328 0.8770413      0.1389944     0.8582437      0.2130839     0.8909633      0.1833792     109.6809 14.41904 112.3279 12.00900 -2.646980      18.76499 
1 1 1 4  3  64  o 97.64920 9.332082 0.6688019      0.1242982     0.5955127      0.1901851     0.7234498      0.1642264     90.75361 15.74764 101.1041 11.99763 -10.35046      19.79726 
1 1 1 4  3  65  o 88.43504 9.560177 0.5500457      0.1148845     0.5113783      0.1764089     0.5785224      0.1513886     83.93932 15.79987 90.16080 12.49608 -6.221481      20.14417 
1 1 1 4  3  66  o 60.05969 10.97054 0.2590721      0.8762810E-01 0.3978212      0.1359584     0.1604779      0.1146085     74.21786 13.77372 48.16767 15.31750 26.05020       20.59954 
1 1 1 4  3  67  o 176.2068 8.746470 2.156544       0.2128107     2.022998       0.3253316     2.256428       0.2813551     169.3137 14.04215 179.5144 11.40981 -10.20068      18.09325 
1 1 1 4  3  68  o 67.64530 10.64888 0.3262974      0.9617873E-01 0.2957443      0.1483410     0.3484561      0.1263296     63.59701 16.68418 69.36392 13.67574 -5.766914      21.57284 
1 1 1 4  3  69  o 81.24429 10.07435 0.4663111      0.1105934     0.5474972      0.1709231     0.4078447      0.1450483     87.15141 14.72811 74.99712 14.53131 12.15429       20.69000 
1 1 1 4  3  70  o 247.1983 8.737324 4.245840       0.2982373     4.222460       0.4566479     4.263230       0.3938318     245.0713 13.54691 247.1207 11.54154 -2.049393      17.79680 
1 1 1 4  3  71  o 183.6440 8.799784 2.344191       0.2231447     2.127387       0.3409759     2.506599       0.2951170     173.4155 14.36905 189.1493 11.35181 -15.73376      18.31211 
1 1 1 4  3  72  o 116.4145 9.305758 0.9489878      0.1483377     1.077622       0.2293089     0.8564236      0.1945200     123.1520 13.71781 109.7746 13.09110 13.37741       18.96194 
1 1 1 4  3  73  o 191.8258 8.812713 2.559510       0.2334289     2.454390       0.3577271     2.637463       0.3080513     186.2979 14.00867 193.8767 11.55947 -7.578812      18.16216 
1 1 1 4  3  74  o 128.7856 10.02812 1.163444       0.1769241     1.260836       0.2515943     1.068168       0.2488454     133.1734 13.88609 122.1388 15.07483 11.03461       20.49570 
1 1 1 4  3  75  o 112.4916 11.37275 0.8943512      0.1742277     0.8370212      0.2758909     0.9323813      0.2247032     106.4865 19.48102 114.0558 14.60302 -7.569305      24.34663 
1 1 1 4  3  76  o 102.6474 10.49662 0.7438591      0.1466839     0.8163286      0.2131342     0.6786452      0.2021834     106.4581 14.90780 96.67886 15.68254 9.779198       21.63758 
1 1 1 4  3  77  o 114.1032 8.940627 0.9128076      0.1397383     0.9261200      0.1980517     0.8996106      0.1971907     114.0435 12.79764 112.3390 12.94920 1.704483       18.20608 
1 1 1 4  3  78  o 94.38165 9.971687 0.6291686      0.1279877     0.6175315      0.1709024     0.6440304      0.1931333     92.56199 13.79262 94.10847 15.39490 -1.546486      20.66977 
1 1 1 4  3  79  o 91.62025 11.05927 0.5965763      0.1370824     0.6147557      0.1947280     0.5787161      0.1930109     91.69778 15.95881 88.79564 16.34396 2.902145       22.84313 
1 1 1 4  3  80  o 145.2540 10.02083 1.482181       0.1997584     1.409381       0.3442600     1.519134       0.2452722     138.8396 18.41116 146.4512 12.24103 -7.611572      22.10913 
1 1 1 4  3  81  o 241.8771 8.959441 4.081494       0.2992359     3.901635       0.3941325     4.326256       0.4597785     235.1615 12.17949 247.0491 13.52948 -11.88762      18.20403 
1 1 1 4  3  82  o 75.59160 11.39122 0.4097416      0.1152087     0.5698602      0.1521734     0.1947144      0.1763455     89.05759 12.73738 54.38861 19.03522 34.66898       22.90372 
1 1 1 4  3  83  o 55.35498 12.10440 0.2238210      0.8994252E-01 0.1507860E-01  0.1277132     0.4292282      0.1266889     35.85908 15.11039 77.16514 12.30310 -41.30606      19.48564 
1 1 1 4  3  84  o 127.7812 9.562783 1.147647       0.1675054     1.158183       0.2563028     1.139791       0.2213082     126.7962 14.92466 126.4474 12.85376 0.3488312      19.69682 
1 1 1 4  3  85  o 162.2291 9.266693 1.844673       0.2067218     1.829619       0.3158173     1.855958       0.2734382     159.8672 14.46328 161.8016 12.33164 -1.934402      19.00673 
1 1 1 4  3  86  o 76.66055 11.78780 0.4227372      0.1207830     0.4883726      0.1848049     0.3737948      0.1595831     81.05311 17.05240 70.85863 16.60077 10.19448       23.79853 
1 1 1 4  3  87  o 224.4617 9.111845 3.520129       0.2824142     3.537393       0.4316716     3.507211       0.3734194     222.7736 14.10586 222.7019 12.18951 0.7168579E-01  18.64294 
1 1 1 4  3  88  o 60.36574 13.24706 0.2675939      0.1073886     0.2342136      0.1633241     0.2930159      0.1425314     57.19405 18.29574 62.78029 16.29844 -5.586243      24.50251 
1 1 1 4  3  89  o 138.1604 9.731253 1.342842       0.1844619     1.619082       0.2831981     1.139281       0.2431048     150.4384 13.78641 125.8366 14.24172 24.60184       19.82150 
1 1 1 4  3  90  o 134.8978 9.862680 1.281796       0.1824387     1.529419       0.2803975     1.100013       0.2402458     145.9940 14.08393 123.5180 14.35363 22.47600       20.10929 
1 1 1 4  3  91  o 105.2016 10.63584 0.7856012      0.1523790     0.8894432      0.2333534     0.7084063      0.2011974     110.3218 15.76694 98.41128 15.30327 11.91053       21.97240 
1 1 1 4  3  92  o 113.4788 10.71140 0.9141865      0.1658559     1.124462       0.2543915     0.7587230      0.2187370     124.3876 15.12220 101.4895 16.14971 22.89803       22.12451 
1 1 1 4  3  93  o 120.9462 10.64729 1.038701       0.1760027     1.294012       0.2700575     0.8501909      0.2320536     133.4405 14.91147 107.3739 16.15153 26.06663       21.98235 
1 1 1 4  3  94  o 73.21172 14.81938 0.3991391      0.1446721     0.5317143      0.2015171     0.2581369      0.2078231     83.61626 17.98727 60.13607 20.68588 23.48019       27.41254 
1 1 1 4  3  95  o 95.60151 14.98569 0.6769404      0.1913224     0.8378947      0.3076598     0.5754487      0.2443061     102.8367 22.30797 85.53950 20.86902 17.29721       30.54769 
1 1 1 4  3  96  o 85.34593 15.39822 0.5470236      0.1747877     0.7898256      0.2973580     0.4188458      0.2160528     99.23952 22.24948 72.79258 20.57917 26.44695       30.30745 
1 1 1 4  3  97  o 75.91376 13.73214 0.4305027      0.1386463     0.4094159      0.1880893     0.4555942      0.2051737     72.08359 18.72737 75.75108 19.49974 -3.667496      27.03617 
1 1 1 4  3  98  o 126.0704 10.30935 1.142120       0.1778960     1.158944       0.2493802     1.124689       0.2538451     124.5026 14.79559 122.2661 15.37580 2.236511       21.33834 
1 1 1 4  3  99  o 84.67512 13.13900 0.5357015      0.1486445     0.4712401      0.1993933     0.6163406      0.2230147     76.41834 18.98165 87.66125 18.97452 -11.24290      26.83907 
1 1 1 4  3  100 o 44.12666 16.08358 0.1313128      0.1272216     0.2147799      0.2089276     0.8212567E-01  0.1603849     54.72760 20.49125 42.58546 17.34144 12.14214       26.84431 
1 1 1 4  3  101 o 47.53666 16.15325 0.1677809      0.1266642     0.2155439      0.1602607     0.8828641E-01  0.2067521     53.02626 18.16891 46.29755 19.34974 6.728718       26.54283 
1 1 1 4  3  102 o 49.08823 14.99949 0.1860679      0.1110512     0.2667830      0.1534380     0.9727829E-01  0.1609299     57.63739 17.63441 43.39058 17.47760 14.24681       24.82819 
1 1 1 4  3  103 o 60.89046 15.90149 0.2954900      0.1351503     0.2163008      0.1770547     0.4060505      0.2092062     53.18958 19.02912 69.10806 20.47035 -15.91848      27.94893 
1 1 1 4  3  104 o 41.94780 15.38526 0.1190844      0.1166746     0.7449114E-01  0.1511055     0.1849254      0.1836088     40.85486 16.75665 50.84737 19.17531 -9.992508      25.46522 
1 1 1 4  3  105 o 58.35480 16.29078 0.2733666      0.1362821     0.2768279      0.1777046     0.2684239      0.2123556     58.19280 19.12105 57.80379 20.82298 0.3890114      28.27032 
1 1 1 4  3  106 o 30.92744 13.42488 0.6127174E-03  0.1063883     0.3679698E-01  0.1376436     -0.5308263E-01 0.1676735     37.02356 15.64854 35.18886 15.95745 1.834705       22.34988 
1 1 1 4  3  107 o 58.54228 15.56399 0.2726044      0.1279820     0.2026735      0.1676547     0.3702644      0.1981250     51.69598 18.51472 66.17578 19.99383 -14.47980      27.24973 
1 1 1 4  3  108 o 37.35746 14.55739 0.7782136E-01  0.1082254     0.1502680      0.1416903     -0.2363838E-01 0.1676787     46.13980 16.94975 36.57746 16.32197 9.562340       23.53084 
1 1 1 4  3  109 o 23.62299 10.99068 -0.6738894E-01 0.8692275E-01 -0.1746999E-01 0.1129467     -0.1399015     0.1361280     30.52257 13.52054 27.64559 13.13462 2.876980       18.85002 
1 1 1 4  3  110 o 30.21593 12.89889 0.1358163E-01  0.9512963E-01 -0.8882362E-01 0.1258737     0.1499752      0.1452683     28.32701 13.19479 45.90646 17.10660 -17.57944      21.60413 
1 1 1 4  3  111 o 29.65531 12.79493 0.7592207E-02  0.9547103E-01 -0.5603243E-01 0.1276103     0.8847735E-01  0.1438824     29.96869 13.71657 40.58462 16.46314 -10.61593      21.42847 
1 1 1 4  3  112 o 55.73477 14.92541 0.2556550      0.1171606     0.2795480      0.1560265     0.2247660      0.1774048     56.79336 17.85036 51.81149 18.97617 4.981876       26.05246 
1 1 1 4  3  113 o 43.93159 16.51308 0.1496918      0.1359372     0.9877039E-01  0.1754909     0.2260811      0.2149414     42.09039 17.72318 51.32410 20.35742 -9.233719      26.99140 
1 1 1 4  3  114 o 57.09781 19.11796 0.3167239      0.1774001     0.4780799      0.2546445     0.1645653      0.2472807     65.35828 22.87407 47.23428 20.48522 18.12399       30.70614 
1 1 1 4  3  115 o 47.14760 18.10341 0.2104674      0.1655155     0.1251002      0.2348791     0.2946743      0.2332775     43.50660 19.37285 51.98240 21.00594 -8.475800      28.57546 
1 1 1 4  3  116 o 30.89556 14.16771 -0.8536272E-02 0.1370358     -0.1101705E-01 0.1945966     -0.6095807E-02 0.1930090     34.75751 16.26142 34.84586 16.26726 -0.8834457E-01 23.00125 
1 1 1 4  3  117 o 31.29055 14.62811 -0.3943453E-02 0.1569484     0.1400170      0.1965114     -0.2575311     0.2608136     38.87741 17.48452 30.78737 15.34179 8.090034       23.26110 
1 1 1 4  3  118 o 35.06244 17.17385 0.8271164E-01  0.2804165     0.000000       0.000000      0.8271164E-01  0.2804165     ?        ?        35.06244 17.17385 0.000000       17.17385 
1 1 1 4  3  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  0   o 710.6737 25.59214 35.14644       2.504007      35.14644       2.504007      0.000000       0.000000      710.6737 25.59214 710.6737 25.59214 -0.000000      0.000000 
1 1 1 4  4  1   o 208.3989 13.03750 3.016502       0.3732831     3.235419       0.4594988     2.591648       0.6401238     215.5984 15.53897 191.4563 24.79592 24.14211       29.26255 
1 1 1 4  4  2   o 414.8153 11.67353 11.90021       0.6686441     11.29836       0.7667630     13.81071       1.366131      404.0575 13.74295 445.8877 22.18855 -41.83023      26.09982 
1 1 1 4  4  3   f 642.6711 12.41922 28.57074       1.102100      28.36891       1.270401      29.18471       2.215729      640.1883 14.37126 647.6866 24.77500 -7.498291      28.64147 
1 1 1 4  4  4   o 378.2102 13.22448 9.897495       0.6906371     10.21501       0.8479814     9.271921       1.190269      384.0348 15.99108 364.4138 23.78487 19.62100       28.66068 
1 1 1 4  4  5   o 180.0902 12.91036 2.255339       0.3189150     2.068830       0.3884224     2.641164       0.5586638     172.0213 16.55700 193.9043 21.21124 -21.88309      26.90820 
1 1 1 4  4  6   o 747.7325 14.91339 38.70977       1.539787      37.98761       1.867801      40.24160       2.720330      740.2043 18.27431 760.2334 25.91413 -20.02905      31.70950 
1 1 1 4  4  7   o 465.3167 11.75043 14.97500       0.7549884     14.31400       1.054657      15.66978       1.081270      454.5152 16.80447 475.5875 16.46516 -21.07233      23.52640 
1 1 1 4  4  8   o 331.1219 11.37250 7.582314       0.5199742     7.290129       0.7317870     7.880267       0.7389750     323.9781 16.41159 337.3015 15.86622 -13.32349      22.82711 
1 1 1 4  4  9   o 519.2057 11.94144 18.64595       0.8561192     18.06233       1.200424      19.25006       1.221317      510.5320 17.02840 527.0786 16.78089 -16.54666      23.90742 
1 1 1 4  4  10  o 779.0776 13.07521 41.99841       1.406589      41.79044       1.984502      42.20839       1.993966      776.2822 18.51373 780.1552 18.50968 -3.872986      26.17950 
1 1 1 4  4  11  o 317.3390 11.36744 6.964510       0.4981084     6.790847       0.7021189     7.140479       0.7067675     312.6550 16.31985 321.0603 15.94234 -8.405365      22.81437 
1 1 1 4  4  12  o 154.1716 11.23902 1.652488       0.2376124     1.616387       0.3354370     1.688848       0.3366354     151.8867 16.24579 155.3351 15.91953 -3.448456      22.74549 
1 1 1 4  4  13  o 839.3922 13.39994 48.76223       1.553122      47.42869       2.164936      50.17633       2.229374      826.8387 18.96209 850.4469 18.98444 -23.60822      26.83225 
1 1 1 4  4  14  o 569.1111 12.15811 22.40649       0.9554346     21.90705       1.340570      22.92208       1.362064      562.1593 17.26999 575.0508 17.15352 -12.89148      24.34124 
1 1 1 4  4  15  o 286.0392 11.34819 5.658875       0.4482189     5.565758       0.6310112     5.753703       0.6367826     282.9553 16.21797 287.7232 16.09247 -4.767914      22.84710 
1 1 1 4  4  16  o 538.2110 12.02589 20.03985       0.8937327     19.68153       1.257664      20.40539       1.270288      532.8270 17.09388 542.5546 16.95589 -9.727600      24.07702 
1 1 1 4  4  17  o 134.8826 11.28289 1.267148       0.2082127     1.216387       0.2939799     1.318241       0.2949370     131.4493 16.56431 137.0234 15.88275 -5.574081      22.94860 
1 1 1 4  4  18  o 326.1836 11.39534 7.359642       0.5132481     7.122253       0.7242513     7.599126       0.7274441     320.1353 16.43936 331.1502 15.90877 -11.01489      22.87666 
1 1 1 4  4  19  o 282.4302 11.34491 5.517789       0.4424356     5.565206       0.6274176     5.470887       0.6239934     282.9094 16.12776 280.4875 16.17991 2.421906       22.84500 
1 1 1 4  4  20  o 43.59007 12.08198 0.1353524      0.7524282E-01 0.1452646      0.1065075     0.1254765      0.1063116     46.31490 14.77025 44.04337 14.79950 2.271534       20.90898 
1 1 1 4  4  21  o 716.0651 12.81247 35.49173       1.266845      35.23043       1.788443      35.75488       1.794752      712.5002 18.17826 717.7980 18.10774 -5.297852      25.65812 
1 1 1 4  4  22  o 186.1861 11.32286 2.407091       0.2897170     2.357223       0.4093600     2.457135       0.4100842     183.6678 16.31088 187.5926 15.98384 -3.924805      22.83699 
1 1 1 4  4  23  o 233.5857 11.28813 3.775045       0.3640881     3.820395       0.5157329     3.729988       0.5140676     234.1891 16.04524 231.3696 16.19282 2.819443       22.79599 
1 1 1 4  4  24  o 666.0911 12.58243 30.71546       1.157274      30.28468       1.627494      31.15606       1.645927      660.4966 17.84476 669.9421 17.79243 -9.445496      25.19933 
1 1 1 4  4  25  o 127.9237 13.30286 1.145514       0.2315448     1.143401       0.4009096     1.146572       0.2836321     126.0220 23.91373 127.5149 16.49518 -1.492920      29.05095 
1 1 1 4  4  26  o 506.5073 16.91952 17.80581       1.183346      18.14580       1.682393      17.47292       1.664753      509.9936 23.89047 500.4042 24.09300 9.589355       33.92974 
1 1 1 4  4  27  o 111.9046 24.01995 0.9069812      0.3600575     0.9069812      0.3600575     0.000000       0.000000      111.9046 24.01995 ?        ?        0.000000       24.01995 
1 1 1 4  4  28  o 230.5038 23.02230 3.742796       0.7229633     3.742796       0.7229633     0.000000       0.000000      230.5038 23.02230 ?        ?        0.000000       23.02230 
1 1 1 4  4  29  f 33.72421 12.83106 0.5455504E-01  0.8267256E-01 0.1078117E-01  0.1194724     0.9477380E-01  0.1145182     34.90528 14.65661 41.50399 15.23940 -6.598705      21.14369 
1 1 1 4  4  30  o 344.6656 10.53151 8.221547       0.5012181     7.598187       0.7876346     8.645767       0.6497568     330.2156 17.33446 353.1901 13.32307 -22.97452      21.86293 
1 1 1 4  4  31  f 230.4970 10.15217 3.676767       0.3231187     3.244525       0.5051586     3.976068       0.4203574     215.3895 17.12641 239.1933 12.77337 -23.80379      21.36523 
1 1 1 4  4  32  o 273.7660 10.19159 5.187661       0.3852648     5.155575       0.6060717     5.209419       0.4990758     271.9153 16.21557 274.1050 13.18596 -2.189697      20.90010 
1 1 1 4  4  33  o 162.0033 9.314344 1.822065       0.2074829     1.840225       0.2927783     1.803745       0.2940763     162.3660 13.17243 160.7116 13.37322 1.654327       18.77115 
1 1 1 4  4  34  o 142.9508 9.360531 1.420352       0.1837470     1.452111       0.2592182     1.388279       0.2605015     144.0809 13.17513 140.7962 13.56720 3.284668       18.91172 
1 1 1 4  4  35  o 139.2479 9.357192 1.348316       0.1788722     1.375728       0.2523465     1.320634       0.2535851     140.1762 13.19242 137.2614 13.55656 2.914810       18.91613 
1 1 1 4  4  36  o 214.1308 9.243055 3.174632       0.2732956     3.138554       0.3853809     3.211132       0.3876256     212.1945 13.21844 214.6537 13.14112 -2.459213      18.63910 
1 1 1 4  4  37  o 125.1903 9.432704 1.091580       0.1618610     1.041849       0.2274315     1.142621       0.2304096     121.6697 13.78023 127.5709 13.27452 -5.901184      19.13394 
1 1 1 4  4  38  o 121.3887 9.448128 1.026961       0.1571185     1.048207       0.2213606     1.005389       0.2230473     122.0852 13.34855 119.4628 13.77387 2.622375       19.18081 
1 1 1 4  4  39  o 177.5512 10.21197 2.193043       0.2493086     2.309878       0.3224678     2.019443       0.3930756     181.8323 12.92755 169.1807 17.05910 12.65157       21.40408 
1 1 1 4  4  40  o 205.7368 10.16206 2.935703       0.2886900     3.125443       0.3741915     2.656696       0.4537546     211.6095 12.86730 194.1888 17.09662 17.42072       21.39771 
1 1 1 4  4  41  o 33.37596 11.21671 0.7232490E-01  0.6106855E-01 0.4304187E-01  0.7602963E-01 0.1255672      0.1025187     31.48037 12.21971 43.63433 14.53224 -12.15396      18.98703 
1 1 1 4  4  42  o 253.2143 8.632491 4.443411       0.3018299     4.657945       0.4014881     4.164569       0.4577228     258.9190 11.22977 244.0872 13.63512 14.83177       17.66421 
1 1 1 4  4  43  o 224.3920 8.611949 3.490674       0.2668374     3.716865       0.3549544     3.196732       0.4046383     231.2319 11.11698 213.6214 13.79145 17.61049       17.71416 
1 1 1 4  4  44  o 166.3292 8.643064 1.923717       0.1978223     1.921188       0.2621768     1.927059       0.3014403     165.7633 11.52597 165.6774 13.28832 0.8593750E-01  17.59055 
1 1 1 4  4  45  o 51.41269 10.68333 0.1905964      0.7336630E-01 0.1665373      0.9603953E-01 0.2243119      0.1136909     48.22589 13.75091 55.61184 14.61432 -7.385956      20.06653 
1 1 1 4  4  46  o 241.7216 8.628490 4.055041       0.2879972     4.154082       0.3820999     3.924769       0.4382233     244.1976 11.33176 236.5591 13.47159 7.638596       17.60376 
1 1 1 4  4  47  o 97.61189 9.000897 0.6672561      0.1199517     0.6963054      0.1587871     0.6286439      0.1830668     99.23895 11.82019 93.62294 14.64039 5.616013       18.81642 
1 1 1 4  4  48  f 33.17424 10.63195 0.7480754E-01  0.5513422E-01 0.4167896E-01  0.7270075E-01 0.1196521      0.8458478E-01 30.78126 11.94896 41.63383 13.15052 -10.85258      17.76834 
1 1 1 4  4  49  o 182.5973 8.648988 2.316188       0.2180709     2.303342       0.2884925     2.333311       0.3330904     181.2924 11.58490 182.0349 13.34463 -0.7425537     17.67170 
1 1 1 4  4  50  o 146.9628 10.38080 1.512280       0.2093021     1.454382       0.3296776     1.551372       0.2708992     142.4132 17.10722 148.1857 13.38369 -5.772461      21.72050 
1 1 1 4  4  51  o 329.2284 10.33852 7.554928       0.4699952     7.005605       0.7361248     7.932961       0.6106649     314.0697 17.03788 336.3843 13.14708 -22.31467      21.52057 
1 1 1 4  4  52  o 72.34296 9.795725 0.3709932      0.9533567E-01 0.3840066      0.1274945     0.3544877      0.1435853     72.93158 13.14360 69.59203 15.35396 3.339546       20.21134 
1 1 1 4  4  53  o 408.1271 9.632474 11.59973       0.5428393     10.90845       0.6586896     13.06314       0.9583771     394.8075 12.08252 429.7753 16.14942 -34.96777      20.16906 
1 1 1 4  4  54  f 258.5618 9.358996 4.653172       0.3341424     4.540946       0.4715595     4.766344       0.4735443     253.9840 13.49439 260.3286 13.21684 -6.344620      18.88871 
1 1 1 4  4  55  o 251.9035 9.400519 4.416138       0.3269821     4.941660       0.5710366     4.159768       0.3988427     264.1528 15.72680 243.9139 11.84206 20.23889       19.68671 
1 1 1 4  4  56  o 195.1851 9.444238 2.651085       0.2545373     2.417127       0.4378922     2.770476       0.3128129     183.8821 17.45529 198.8502 11.44079 -14.96809      20.87052 
1 1 1 4  4  57  o 140.2339 10.73218 1.379118       0.2062384     1.293983       0.3304964     1.433414       0.2639333     133.8159 18.37109 142.3312 13.59472 -8.515305      22.85417 
1 1 1 4  4  58  o 127.9964 9.814763 1.146930       0.1721452     1.163773       0.2439133     1.130215       0.2429894     128.0350 14.02601 126.1100 14.20118 1.925034       19.96002 
1 1 1 4  4  59  o 28.17013 10.54366 0.4138658E-01  0.5530493E-01 -0.2343534E-02 0.9287608E-01 0.6541147E-01  0.6884053E-01 29.76646 12.72706 33.16185 11.86537 -3.395395      17.40014 
1 1 1 4  4  60  o 164.1002 8.828161 1.876211       0.1993048     1.783328       0.3052945     1.945197       0.2631064     158.8612 14.06287 166.5793 11.50917 -7.718094      18.17211 
1 1 1 4  4  61  o 142.0227 8.985599 1.406983       0.1753066     1.402703       0.2698409     1.410109       0.2306000     140.7705 14.07068 141.6379 11.90107 -0.8674469     18.42877 
1 1 1 4  4  62  o 45.44566 12.04341 0.1493274      0.7679013E-01 0.2485193      0.1236933     0.8712523E-01  0.9795152E-01 58.39450 15.19461 38.83312 14.11896 19.56139       20.74177 
1 1 1 4  4  63  o 148.4392 8.930957 1.536198       0.1822042     1.528891       0.2796417     1.541589       0.2401865     147.0676 13.93675 148.1586 11.83931 -1.091049      18.28667 
1 1 1 4  4  64  o 68.28259 10.55384 0.3321319      0.9629924E-01 0.2684356      0.1501091     0.3766814      0.1255368     60.81591 17.13953 72.31403 13.05246 -11.49812      21.54368 
1 1 1 4  4  65  o 105.2717 9.443160 0.7765676      0.1358078     0.8585503      0.2097644     0.7174042      0.1781962     109.7824 14.16824 100.4292 13.16716 9.353165       19.34200 
1 1 1 4  4  66  o 57.54474 11.79304 0.2394474      0.9055769E-01 0.3120546      0.1432780     0.1911480      0.1168585     65.28663 16.01468 51.72062 15.29407 13.56601       22.14449 
1 1 1 4  4  67  o 232.6349 8.770294 3.760265       0.2817260     3.827949       0.4318380     3.710112       0.3717266     233.3494 13.45932 230.2146 11.73263 3.134720       17.85520 
1 1 1 4  4  68  f 84.86772 10.00619 0.5083218      0.1150055     0.5121870      0.1797112     0.5056410      0.1496651     83.86882 16.10347 83.94599 13.35936 -0.7717133E-01 20.92353 
1 1 1 4  4  69  o 118.5102 9.283495 0.9831059      0.1507020     0.9879860      0.2330772     0.9795999      0.1975512     117.6238 14.66933 117.6860 12.34036 -0.6211853E-01 19.16960 
1 1 1 4  4  70  o 91.14241 9.055137 0.5835323      0.1124517     0.6075313      0.1601351     0.5601842      0.1579489     92.22486 12.93016 88.39328 13.35734 3.831581       18.59052 
1 1 1 4  4  71  o 216.6429 8.848483 3.265512       0.2646984     3.286818       0.3496440     3.236906       0.4051371     216.4104 11.74463 214.1054 13.77680 2.305023       18.10349 
1 1 1 4  4  72  o 143.9054 10.90645 1.455427       0.2151087     1.504220       0.3403453     1.422970       0.2775800     144.3991 17.42129 141.3549 14.42337 3.044235       22.61714 
1 1 1 4  4  73  o 114.9028 11.38341 0.9331691      0.1782331     0.9945094      0.2884575     0.8952886      0.2266820     116.5571 18.54400 111.5458 15.10580 5.011284       23.91789 
1 1 1 4  4  74  o 84.42355 10.26897 0.5051594      0.1172440     0.5573964      0.1569824     0.4392664      0.1763118     88.01817 13.33397 77.05904 17.02384 10.95913       21.62420 
1 1 1 4  4  75  o 213.4480 8.874480 3.175465       0.2615611     3.156624       0.3465152     3.200417       0.3987715     211.7016 11.90216 212.5089 13.66208 -0.8072968     18.11944 
1 1 1 4  4  76  o 133.8570 9.343222 1.256365       0.1716102     1.367202       0.2290489     1.114529       0.2591085     138.9772 12.05508 124.3668 15.41892 14.61043       19.57212 
1 1 1 4  4  77  o 76.34789 11.74217 0.4184642      0.1198236     0.4727357      0.2000296     0.3880904      0.1496436     79.52574 18.55511 72.59526 15.40518 6.930481       24.11663 
1 1 1 4  4  78  o 117.2579 11.45473 0.9740357      0.1830976     0.9798003      0.2791103     0.9696806      0.2425915     115.5043 18.09424 115.7766 15.56924 -0.2723541     23.87054 
1 1 1 4  4  79  o 101.7106 9.894176 0.7299478      0.1371991     0.7684309      0.1788757     0.6749572      0.2138265     103.6678 12.76567 95.87380 16.76222 7.794022       21.06975 
1 1 1 4  4  80  f 43.31512 12.48642 0.1352330      0.7877983E-01 0.1309993      0.1104586     0.1396161      0.1123895     44.39008 15.08456 45.45123 15.21695 -1.061153      21.42661 
1 1 1 4  4  81  o 76.78069 10.20505 0.4196833      0.1055143     0.4164351      0.1484924     0.4229960      0.1499577     75.33723 14.80233 75.93381 14.83396 -0.5965729     20.95604 
1 1 1 4  4  82  o 57.72310 11.89532 0.2427818      0.9165867E-01 0.2647068      0.1291382     0.2205231      0.1301172     59.82521 15.50529 54.97259 16.10522 4.852627       22.35603 
1 1 1 4  4  83  o 138.9183 9.011957 1.353040       0.1719355     1.423010       0.2429890     1.282879       0.2433184     141.4827 12.56873 134.0408 13.32271 7.441956       18.31578 
1 1 1 4  4  84  o 233.9306 8.468269 3.816757       0.2735393     3.772816       0.3857922     3.861180       0.3879023     231.0559 12.13448 233.7867 12.05719 -2.730865      17.10618 
1 1 1 4  4  85  o 41.02325 13.31435 0.1159196      0.8626051E-01 0.5058983E-01  0.1207966     0.1838980      0.1232211     37.66273 15.15218 50.75220 15.84882 -13.08946      21.92655 
1 1 1 4  4  86  o 91.03124 10.00952 0.5871727      0.1237397     0.6752578      0.1742132     0.4974900      0.1757861     96.79099 13.39385 82.05538 16.08959 14.73561       20.93490 
1 1 1 4  4  87  o 51.86583 13.05512 0.1977406      0.9342992E-01 0.1850841      0.1317418     0.2105472      0.1325214     51.17112 16.43848 53.87615 16.36858 -2.705029      23.19815 
1 1 1 4  4  88  f 126.2855 9.343154 1.121882       0.1617676     1.245959       0.2290944     0.9984969      0.2284549     132.1205 12.71458 117.5967 14.36795 14.52386       19.18590 
1 1 1 4  4  89  o 45.42762 14.28295 0.1463488      0.9988470E-01 0.1729614      0.1488892     0.1245694      0.1346920     50.71682 17.50529 45.33486 16.54524 5.381958       24.08692 
1 1 1 4  4  90  o 165.4424 9.720586 1.927017       0.2210879     2.115859       0.3371751     1.784586       0.2928255     171.4750 14.37280 157.7421 13.57610 13.73283       19.77089 
1 1 1 4  4  91  o 93.09142 11.66506 0.6223084      0.1466535     0.6246688      0.2210104     0.6204513      0.1960284     90.94250 18.23454 91.43495 16.11516 -0.4924545     24.33510 
1 1 1 4  4  92  o 169.4319 10.64641 2.035938       0.2478121     1.983676       0.3457312     2.091159       0.3553869     164.9098 15.35954 169.3465 15.36531 -4.436691      21.72575 
1 1 1 4  4  93  o 33.99915 14.62411 0.6467995E-03  0.1239505     0.2006378      0.2089682     -0.1079106     0.1539589     55.54414 20.55288 32.10315 14.82829 23.44099       25.34362 
1 1 1 4  4  94  f 145.8526 12.06879 1.533173       0.2408776     1.283685       0.3929044     1.683412       0.3048971     126.4337 23.36607 151.3338 14.77946 -24.90017      27.64788 
1 1 1 4  4  95  o 40.38054 14.23056 0.1081498      0.9866161E-01 -0.7137209E-02 0.1496869     0.1967082      0.1311923     36.41503 15.86499 51.44617 16.39128 -15.03114      22.81166 
1 1 1 4  4  96  o 56.33390 15.74722 0.2442824      0.1272522     0.2816406      0.1825114     0.2089410      0.1775162     60.14321 19.35130 53.80813 19.07475 6.335083       27.17202 
1 1 1 4  4  97  o 57.56859 15.96797 0.2579941      0.1313781     0.8322040E-01  0.1985183     0.3941894      0.1752442     45.90908 19.05454 70.29008 17.98247 -24.38100      26.20009 
1 1 1 4  4  98  o 74.50948 15.69749 0.4325444      0.1564052     0.2870255      0.3068159     0.4836366      0.1818006     62.35287 24.45156 78.00709 17.32860 -15.65421      29.96930 
1 1 1 4  4  99  o 43.92732 15.91105 0.1323078      0.1242260     0.1262176      0.1682297     0.1396110      0.1842217     46.12864 18.10065 48.06342 18.91537 -1.934776      26.18062 
1 1 1 4  4  100 o 49.96965 15.91050 0.1926982      0.1236244     0.1560035      0.1679393     0.2361022      0.1826481     48.19389 18.29928 55.11821 19.36780 -6.924316      26.64536 
1 1 1 4  4  101 o 41.16751 14.79257 0.1164948      0.1071042     0.6822102E-01  0.1626786     0.1534297      0.1422960     41.47754 17.23489 46.59639 17.00582 -5.118855      24.21238 
1 1 1 4  4  102 o 25.09455 11.47517 -0.4901163E-01 0.8903037E-01 -0.1354434E-01 0.1350131     -0.7629997E-01 0.1184269     33.60511 14.83928 28.07970 12.98224 5.525415       19.71656 
1 1 1 4  4  103 o 49.51732 15.50717 0.1908910      0.1178718     0.8317526E-01  0.1807013     0.2706692      0.1555121     43.71378 18.16435 57.73959 17.76781 -14.02581      25.40942 
1 1 1 4  4  104 o 41.67247 15.14392 0.1188815      0.1126695     0.9732626E-01  0.1730956     0.1347280      0.1484143     44.06895 17.98844 45.20937 17.19391 -1.140415      24.88402 
1 1 1 4  4  105 o 70.73509 13.56045 0.3845728      0.1276284     0.3179271      0.1802129     0.4516359      0.1807762     61.90613 19.13967 74.30315 17.84407 -12.39702      26.16750 
1 1 1 4  4  106 o 39.99908 14.60325 0.1073328      0.1049426     0.3736297E-01  0.1478787     0.1783196      0.1489494     38.05227 16.15911 48.95649 17.46006 -10.90422      23.79013 
1 1 1 4  4  107 o 25.63900 11.71231 -0.4851499E-01 0.9245434E-01 -0.1213611     0.1292849     0.2772987E-01  0.1322665     27.48625 12.98199 35.77298 15.23885 -8.286730      20.01885 
1 1 1 4  4  108 o 63.76826 14.16549 0.3197642      0.1214881     0.3085867      0.1711177     0.3311244      0.1725109     60.63440 18.63457 62.70959 18.59167 -2.075184      26.32295 
1 1 1 4  4  109 o 51.15460 14.93773 0.2098717      0.1120991     0.2326439      0.1574342     0.1864529      0.1596532     53.25761 18.00913 49.23957 18.00668 4.018044       25.46702 
1 1 1 4  4  110 o 62.86009 15.18054 0.3238428      0.1302783     0.2017079      0.1724779     0.4860920      0.1987947     50.16579 18.65058 74.07106 19.25743 -23.90527      26.80845 
1 1 1 4  4  111 f 33.91789 14.27321 0.4273918E-01  0.1137065     0.5129952E-01  0.1371478     0.2391747E-01  0.2033633     36.63915 15.56048 40.20396 17.95509 -3.564804      23.75950 
1 1 1 4  4  112 o 34.43941 15.16904 0.2013818E-01  0.1402007     -0.8492385E-01 0.1967077     0.1286138      0.1998778     34.64150 16.25235 44.31910 18.80153 -9.677597      24.85229 
1 1 1 4  4  113 o 30.80670 14.19123 -0.3749653E-01 0.1396362     0.2165941E-01  0.1936821     -0.1015249     0.2015008     37.69340 17.11521 33.70033 16.00222 3.993073       23.43078 
1 1 1 4  4  114 o 36.60083 15.94945 0.7297768E-01  0.1513595     0.1068809      0.2112024     0.3717909E-01  0.2170257     40.80261 18.25470 38.21785 17.63604 2.584755       25.38235 
1 1 1 4  4  115 o 31.63686 14.75181 -0.9856988E-02 0.1579835     -0.5298206E-01 0.1969245     0.6802385E-01  0.2646368     32.50932 15.54334 38.68589 18.36056 -6.176579      24.05630 
1 1 1 4  4  116 o 36.66432 17.83710 0.8890536E-01  0.2880401     0.000000       0.000000      0.8890536E-01  0.2880401     ?        ?        36.66432 17.83710 0.000000       17.83710 
1 1 1 4  4  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  0   o 386.7373 23.27623 10.48257       1.232675      10.48257       1.232675      0.000000       0.000000      386.7373 23.27623 386.7373 23.27623 -0.000000      0.000000 
1 1 1 4  5  1   o 471.8304 16.64176 15.43925       1.084235      15.52066       1.531913      15.35753       1.534770      472.0243 23.50345 468.9029 23.78187 3.121399       33.43635 
1 1 1 4  5  2   o 225.1574 11.42036 3.516495       0.3538994     3.573338       0.4103208     3.351386       0.6993140     226.8030 13.15853 218.0979 23.59735 8.705185       27.01817 
1 1 1 4  5  3   o 159.6965 11.26806 1.773140       0.2468806     1.750913       0.2853375     1.839328       0.4923956     158.4842 13.15770 160.9869 22.78710 -2.502655      26.31306 
1 1 1 4  5  4   o 530.7650 13.80167 19.51052       1.011514      19.01398       1.229811      20.54889       1.778419      523.5437 17.01170 543.0546 23.71661 -19.51086      29.18691 
1 1 1 4  5  5   o 340.6351 13.09329 8.033709       0.6158517     7.787170       0.7500500     8.543826       1.078905      335.1155 16.20906 349.6206 22.46745 -14.50510      27.70415 
1 1 1 4  5  6   o 145.3454 13.01898 1.474259       0.2585175     1.538786       0.3163952     1.344657       0.4483975     148.1666 15.70409 136.8357 24.63762 11.33086       29.21696 
1 1 1 4  5  7   o 170.4933 12.98926 2.024165       0.3034937     2.054617       0.3712397     1.962803       0.5269825     171.4240 15.86342 166.2220 23.62471 5.202011       28.45654 
1 1 1 4  5  8   o 585.5183 14.12431 23.74954       1.141946      23.02282       1.383742      25.30131       2.022024      575.9886 17.39816 602.3555 24.31059 -26.36682      29.89483 
1 1 1 4  5  9   o 356.2207 13.21575 8.787117       0.6500534     8.822874       0.7949811     8.714968       1.129252      356.6827 16.14124 352.8965 23.30547 3.786163       28.34933 
1 1 1 4  5  10  o 623.7501 14.26684 26.95657       1.228787      26.78162       1.499219      27.31462       2.144814      621.1739 17.47889 625.6438 24.82701 -4.469910      30.36268 
1 1 1 4  5  11  o 212.4704 12.95311 3.137506       0.3782085     3.083516       0.4619545     3.247268       0.6586682     210.2548 16.03250 214.7652 22.54731 -4.510437      27.66627 
1 1 1 4  5  12  o 162.7570 12.99848 1.846029       0.2896890     1.865023       0.3543381     1.807744       0.5030562     163.2210 15.92471 159.3550 23.57330 3.865982       28.44814 
1 1 1 4  5  13  o 388.3012 16.40297 10.46093       0.8794866     9.448096       1.226024      11.53464       1.262335      367.1753 24.31943 406.2433 22.59280 -39.06799      33.19442 
1 1 1 4  5  14  o 326.6262 16.14969 7.401254       0.7283720     7.342703       1.026422      7.460645       1.033764      323.7179 23.11459 326.3239 23.09129 -2.605927      32.67250 
1 1 1 4  5  15  o 153.8334 23.60096 1.688052       0.4853182     0.000000       0.000000      1.688052       0.4853182     ?        ?        153.8334 23.60096 0.000000       23.60096 
1 1 1 4  5  16  o 388.8619 16.38007 10.49445       0.8795266     0.000000       0.000000      10.49445       0.8795266     ?        ?        388.8619 16.38007 0.000000       16.38007 
1 1 1 4  5  17  o 652.7775 17.77160 29.60502       1.601879      0.000000       0.000000      29.60502       1.601879      ?        ?        652.7775 17.77160 0.000000       17.77160 
1 1 1 4  5  18  o 273.6679 22.87220 5.261379       0.8563876     0.000000       0.000000      5.261379       0.8563876     ?        ?        273.6679 22.87220 0.000000       22.87220 
1 1 1 4  5  19  o 311.0668 16.14451 6.735098       0.6910681     7.572976       0.9883871     5.933732       0.9666122     328.8266 21.89332 290.3744 24.33202 38.45221       32.73171 
1 1 1 4  5  20  o 448.6208 13.55139 13.95056       0.8394626     13.82065       1.026445      14.21296       1.458787      446.0745 16.66442 450.4314 23.53616 -4.356934      28.83841 
1 1 1 4  5  21  o 192.1862 11.30299 2.566142       0.2986326     2.646724       0.4226196     2.485780       0.4220415     194.6117 15.86495 188.4845 16.37875 6.127182       22.80263 
1 1 1 4  5  22  o 510.2496 11.98233 18.03526       0.8442324     18.06255       1.195648      18.00814       1.192209      509.7790 16.98570 509.0153 16.96226 0.7637024      24.00484 
1 1 1 4  5  23  o 89.49547 11.84799 0.5644788      0.1428148     0.5771518      0.2022181     0.5518675      0.2017242     89.66698 16.95350 87.58353 17.29377 2.083443       24.21767 
1 1 1 4  5  24  f 321.0175 11.45119 7.138764       0.5075950     7.270582       0.7209231     7.009172       0.7148115     323.4334 16.14232 317.1208 16.38001 6.312561       22.99738 
1 1 1 4  5  25  o 328.8676 11.47425 7.493576       0.5210549     7.600065       0.7394827     7.388572       0.7343103     330.6161 16.19817 325.5547 16.38739 5.061371       23.04186 
1 1 1 4  5  26  o 298.0611 11.39617 6.156479       0.4690318     6.172409       0.6644390     6.140656       0.6621888     297.4458 16.23883 296.6805 16.22571 0.7652588      22.95590 
1 1 1 4  5  27  o 191.4050 11.38497 2.548283       0.2995433     2.475260       0.4235901     2.621326       0.4236464     187.8622 16.49638 193.4506 16.00343 -5.588409      22.98348 
1 1 1 4  5  28  o 276.7244 11.36307 5.308994       0.4341915     5.242328       0.6138411     5.375746       0.6142381     273.9070 16.30358 277.4225 16.10386 -3.515533      22.91595 
1 1 1 4  5  29  o 210.2915 11.38725 3.075618       0.3294256     3.080364       0.4659708     3.070876       0.4657855     209.6707 16.22090 209.3422 16.24067 0.3285065      22.95380 
1 1 1 4  5  30  o 343.1385 11.51193 8.168641       0.5454506     8.071219       0.7701285     8.266701       0.7726448     340.2427 16.39217 344.3676 16.24874 -4.124847      23.08083 
1 1 1 4  5  31  o 254.5193 11.35721 4.495067       0.3991447     4.452903       0.5636889     4.537467       0.5652661     252.1486 16.27685 254.5653 16.16492 -2.416702      22.93993 
1 1 1 4  5  32  o 59.96149 13.00143 0.2595454      0.1045452     0.2516022      0.1479469     0.2674675      0.1477517     59.35735 17.11143 60.98335 16.94045 -1.625992      24.07862 
1 1 1 4  5  33  o 289.0047 11.45768 5.799430       0.4572352     5.887336       0.6469443     5.711697       0.6463125     289.9252 16.22518 285.4930 16.46477 4.432220       23.11591 
1 1 1 4  5  34  o 203.1072 11.41309 2.874103       0.3187886     2.817600       0.4506181     2.930714       0.4510527     200.1211 16.45284 204.1971 16.12833 -4.075943      23.03951 
1 1 1 4  5  35  o 230.2626 11.38775 3.683695       0.3620758     3.592728       0.5110692     3.775366       0.5130415     226.0513 16.48692 231.8434 16.12617 -5.792114      23.06235 
1 1 1 4  5  36  o 244.1522 11.42617 4.143402       0.3852116     4.222283       0.5450872     4.064703       0.5444562     245.1239 16.19559 240.4064 16.50122 4.717545       23.12115 
1 1 1 4  5  37  o 99.77216 10.65412 0.6993593      0.1445097     0.8242449      0.1860384     0.5093724      0.2294607     108.0505 12.71227 83.32423 20.16170 24.72631       23.83477 
1 1 1 4  5  38  o 265.5721 10.26160 4.900126       0.3763011     5.069603       0.4862466     4.647068       0.5941712     269.6014 13.06160 256.7368 16.85403 12.86456       21.32285 
1 1 1 4  5  39  o 127.7509 10.45895 1.142130       0.1828801     1.178870       0.2345458     1.085154       0.2920811     129.2704 13.33117 122.9501 17.71565 6.320381       22.17125 
1 1 1 4  5  40  o 295.2415 10.31278 6.062247       0.4204275     5.975450       0.5407541     6.194903       0.6685093     292.3908 13.39362 296.3842 16.39858 -3.993317      21.17316 
1 1 1 4  5  41  o 320.3237 10.37027 7.139023       0.4586877     6.968290       0.5892488     7.401566       0.7307039     315.6220 13.52052 323.9102 16.39058 -8.288177      21.24749 
1 1 1 4  5  42  o 232.6337 10.25681 3.766083       0.3294752     3.847663       0.4244043     3.642339       0.5226994     234.1846 13.17809 226.6948 16.81821 7.489822       21.36619 
1 1 1 4  5  43  f 160.8099 10.43748 1.808331       0.2305110     1.546603       0.2948942     2.219450       0.3695938     147.7186 14.65073 177.0305 15.26891 -29.31181      21.16089 
1 1 1 4  5  44  o 248.9111 10.29336 4.315452       0.3537848     4.592795       0.4576848     3.903726       0.5576501     255.8024 13.00034 234.2570 17.36337 21.54539       21.69091 
1 1 1 4  5  45  o 66.04804 12.21502 0.3144476      0.1072985     0.2922983      0.1354804     0.3517183      0.1757436     63.17797 15.61864 69.14327 18.16991 -5.965305      23.96012 
1 1 1 4  5  46  o 92.23335 12.58641 0.6061463      0.1561130     0.5573144      0.2169216     0.6586112      0.2248459     86.94781 18.62855 94.90181 17.81244 -7.953995      25.77414 
1 1 1 4  5  47  o 187.1132 11.58998 2.456212       0.2979764     2.631885       0.4241689     2.285049       0.4186892     192.3237 16.12104 178.7525 17.17437 13.57118       23.55519 
1 1 1 4  5  48  o 155.7207 11.80099 1.705232       0.2518623     1.910086       0.2936306     1.134891       0.4899441     164.5420 13.03027 121.1356 29.55349 43.40634       32.29855 
1 1 1 4  5  49  o 195.7213 11.58627 2.686644       0.3117322     2.547555       0.4370718     2.830657       0.4447399     188.9002 16.93633 199.4301 16.29249 -10.52994      23.50073 
1 1 1 4  5  50  o 379.4184 10.49651 10.03880       0.5499220     10.02833       0.8674504     10.04583       0.7110702     376.3730 16.69123 378.2715 13.61353 -1.898529      21.53892 
1 1 1 4  5  51  o 128.3861 11.98426 1.162180       0.2099987     1.108930       0.4186214     1.180087       0.2427521     121.1560 25.81297 128.9371 13.85192 -7.781105      29.29479 
1 1 1 4  5  52  o 132.6632 10.73493 1.235119       0.1949615     1.177483       0.3111509     1.272372       0.2501572     127.5986 18.17340 133.9907 13.71399 -6.392097      22.76721 
1 1 1 4  5  53  o 221.0774 9.424053 3.400246       0.2876869     3.229371       0.4065894     3.571561       0.4071127     214.0924 13.82752 225.4067 13.13701 -11.31430      19.07305 
1 1 1 4  5  54  o 140.0129 9.597414 1.370181       0.1844299     1.271909       0.2604936     1.468952       0.2611541     133.8595 14.31514 144.2205 13.26250 -10.36098      19.51454 
1 1 1 4  5  55  o 217.1145 8.709064 3.274698       0.2610948     3.367989       0.4012540     3.206193       0.3438456     218.8913 13.33921 213.9977 11.68050 4.893555       17.73045 
1 1 1 4  5  56  o 100.6724 9.599403 0.7111445      0.1318253     0.7833785      0.2032043     0.6586533      0.1732228     104.7165 14.43725 96.09538 13.42090 8.621101       19.71179 
1 1 1 4  5  57  o 149.6380 8.951473 1.561164       0.1841098     1.657064       0.2831996     1.490965       0.2422996     153.2516 13.52151 145.6166 12.16178 7.634995       18.18626 
1 1 1 4  5  58  o 176.2974 8.792154 2.158873       0.2140322     2.186133       0.3287303     2.138814       0.2819914     176.1626 13.61993 174.6799 11.75953 1.482727       17.99414 
1 1 1 4  5  59  o 121.7995 9.101130 1.036499       0.1519600     1.121035       0.2347383     0.9755151      0.1993742     125.7870 13.73821 117.5178 12.47734 8.269150       18.55862 
1 1 1 4  5  60  o 187.9379 8.821928 2.453441       0.2289370     2.542452       0.3520124     2.388194       0.3013833     190.0890 13.49883 184.5976 11.88695 5.491409       17.98660 
1 1 1 4  5  61  o 136.2682 9.019219 1.295773       0.1687480     1.250705       0.2597888     1.328666       0.2219458     132.7736 14.40088 137.4828 11.80577 -4.709152      18.62154 
1 1 1 4  5  62  o 63.05177 11.13437 0.2851931      0.9339491E-01 0.2736051      0.1463492     0.2931549      0.1213079     61.28456 16.79544 63.43452 14.20283 -2.149967      21.99562 
1 1 1 4  5  63  o 208.3398 8.830201 3.015971       0.2540276     2.976598       0.3891495     3.045207       0.3353276     205.5967 13.78747 208.5314 11.69271 -2.934662      18.07799 
1 1 1 4  5  64  o 63.93491 10.00041 0.2912670      0.8539356E-01 0.2570106      0.1208384     0.3254400      0.1206912     59.31606 14.80124 66.97845 13.51579 -7.662392      20.04379 
1 1 1 4  5  65  o 229.5057 8.232760 3.658653       0.2609017     3.682120       0.3698845     3.635416       0.3680636     229.2428 11.72433 227.7755 11.74243 1.467270       16.59351 
1 1 1 4  5  66  o 236.9472 8.273090 3.900891       0.2706808     3.881871       0.3834919     3.919773       0.3821126     235.3056 11.84067 236.7764 11.68732 -1.470764      16.63716 
1 1 1 4  5  67  o 167.0728 8.351050 1.940212       0.1926570     1.913175       0.2728142     1.967109       0.2721034     164.8814 12.06659 167.2544 11.85887 -2.373047      16.91849 
1 1 1 4  5  68  o 229.2564 8.890664 3.657840       0.2814451     3.661005       0.3712060     3.653560       0.4316427     228.3689 11.81214 227.4532 13.80875 0.9156036      18.17164 
1 1 1 4  5  69  o 143.2320 11.11691 1.443391       0.2181455     1.283422       0.3431426     1.551894       0.2826037     132.5063 19.32281 147.7595 14.01893 -15.25320      23.87260 
1 1 1 4  5  70  o 99.76276 11.46828 0.7060284      0.1551076     0.4440822      0.2542264     0.8613548      0.1957659     77.11047 22.48918 109.8925 13.16319 -32.78201      26.05826 
1 1 1 4  5  71  o 146.6335 9.159548 1.504829       0.1845292     1.588001       0.2467845     1.399355       0.2779061     149.9301 12.02150 139.9182 14.59922 10.01195       18.91174 
1 1 1 4  5  72  o 156.4362 9.119693 1.712285       0.1961408     1.615026       0.2602938     1.840067       0.2983555     151.0013 12.59880 160.9352 13.55208 -9.933945      18.50375 
1 1 1 4  5  73  o 211.1385 9.561881 3.112951       0.2787718     3.076313       0.3916338     3.150581       0.3969048     208.2437 13.69620 210.7449 13.71395 -2.501114      19.38190 
1 1 1 4  5  74  o 104.0589 10.54737 0.7656003      0.1494580     0.7880215      0.2526471     0.7535299      0.1853731     103.2721 18.39132 102.4916 13.42093 0.7804718      22.76757 
1 1 1 4  5  75  o 78.44189 12.05978 0.4422248      0.1264421     0.5462162      0.1760920     0.3315400      0.1816707     86.47189 15.30799 66.80921 18.86492 19.66268       24.29444 
1 1 1 4  5  76  o 69.22705 11.85336 0.3459121      0.1092317     0.3722931      0.1405034     0.3056072      0.1736681     71.18206 14.77837 64.28882 18.54111 6.893242       23.71019 
1 1 1 4  5  77  o 70.92687 10.43201 0.3595197      0.9911627E-01 0.2802219      0.1405093     0.4380597      0.1398363     61.53082 16.28388 77.66751 13.53070 -16.13670      21.17179 
1 1 1 4  5  78  o 138.2056 9.065314 1.338982       0.1720416     1.264790       0.2448376     1.411343       0.2417978     133.0752 13.51164 140.9517 12.55495 -7.876495      18.44427 
1 1 1 4  5  79  o 126.4389 9.188787 1.122298       0.1593301     1.010939       0.2265834     1.231221       0.2240908     118.6202 14.11032 131.5783 12.48336 -12.95815      18.83973 
1 1 1 4  5  80  o 130.3054 9.093329 1.191437       0.1625893     1.224294       0.2319770     1.159712       0.2279480     131.0250 12.99324 127.4437 13.14184 3.581284       18.48059 
1 1 1 4  5  81  o 100.1256 9.704804 0.7076914      0.1324900     0.6858159      0.1903373     0.7282537      0.1845358     97.21981 14.63199 100.5404 13.64487 -3.320564      20.00694 
1 1 1 4  5  82  o 168.6315 8.722225 1.989903       0.2024022     2.036203       0.2885484     1.945056       0.2839862     169.4398 12.41942 165.5511 12.51546 3.888687       17.63175 
1 1 1 4  5  83  o 93.28779 9.869721 0.6158642      0.1252050     0.6903765      0.1797443     0.5456325      0.1745052     97.80297 13.68433 86.30550 15.19821 11.49747       20.45107 
1 1 1 4  5  84  o 121.5070 9.336154 1.038401       0.1554437     0.9863050      0.2220194     1.088492       0.2177051     117.0612 14.01394 123.3953 12.97126 -6.334084      19.09565 
1 1 1 4  5  85  o 25.08133 10.95588 -0.1355133E-01 0.7180218E-01 -0.3588985E-01 0.1033143     0.7318811E-02  0.9986097E-01 28.86829 12.85201 31.40635 13.30460 -2.538065      18.49829 
1 1 1 4  5  86  o 91.33676 10.69188 0.5941097      0.1322943     0.7242916      0.1896441     0.4707058      0.1846409     99.93456 14.13768 79.25832 17.35226 20.67625       22.38247 
1 1 1 4  5  87  o 57.82739 12.70418 0.2459886      0.9867028E-01 0.1875762      0.1422530     0.3001493      0.1369781     51.72756 17.11313 63.40115 15.72339 -11.67358      23.23971 
1 1 1 4  5  88  o 135.5218 9.618927 1.295717       0.1788312     1.275327       0.2545074     1.315601       0.2513335     132.8463 14.08941 135.1260 13.65767 -2.279648      19.62252 
1 1 1 4  5  89  o 85.93237 11.96783 0.5336176      0.1381523     0.4463848      0.1828904     0.6495369      0.2108282     76.64937 17.64534 93.08333 17.03043 -16.43396      24.52333 
1 1 1 4  5  90  o 94.67708 14.39179 0.6600299      0.1822224     0.7014027      0.2954403     0.6346272      0.2315013     93.69846 23.00421 90.81921 19.06748 2.879257       29.87913 
1 1 1 4  5  91  o 87.77374 14.40611 0.5715854      0.1685427     0.6738663      0.2883373     0.5185000      0.2077261     91.34557 22.90252 81.70732 18.80210 9.638245       29.63181 
1 1 1 4  5  92  o 84.13895 12.06588 0.5174745      0.1361700     0.5432193      0.1878336     0.4889566      0.1976912     84.26712 16.73286 79.10866 18.43856 5.158463       24.89918 
1 1 1 4  5  93  o 53.06203 13.50888 0.2130048      0.9923710E-01 0.2991128      0.1448441     0.1368273      0.1362361     62.09496 16.58092 45.66134 16.64354 16.43362       23.49328 
1 1 1 4  5  94  o 116.9420 11.61265 0.9961603      0.1850368     1.179037       0.2630750     0.8171077      0.2603101     124.8383 15.60206 101.3296 19.30943 23.50865       24.82496 
1 1 1 4  5  95  o 38.90686 13.99536 0.9963809E-01  0.9589542E-01 -0.3277469E-01 0.1721801     0.1591812      0.1154606     37.09378 16.54691 46.47667 15.41955 -9.382896      22.61776 
1 1 1 4  5  96  o 78.01409 16.29898 0.4783601      0.1699185     0.5119806      0.2312524     0.4389094      0.2505025     77.95023 21.00901 71.53753 22.63470 6.412704       30.88217 
1 1 1 4  5  97  o 39.34964 14.74066 0.9674141E-01  0.1081428     0.1046544      0.1316275     0.8030687E-01  0.1896941     41.85270 16.12514 44.53927 18.56772 -2.686573      24.59228 
1 1 1 4  5  98  o 21.31187 8.377917 0.1966697E-01  0.3610178E-01 -0.5837074E-02 0.6478171E-01 0.3115561E-01  0.4347926E-01 24.02033 10.45130 24.41132 9.300996 -0.3909817     13.99065 
1 1 1 4  5  99  o 63.81768 14.81964 0.3197316      0.1280883     0.2663670      0.1865377     0.3673414      0.1761929     57.46893 19.60235 66.67394 18.49136 -9.205009      26.94777 
1 1 1 4  5  100 o 53.13583 15.64732 0.2231598      0.1225440     0.2644351      0.1868040     0.1919791      0.1623619     57.21517 19.61585 50.63099 18.21093 6.584183       26.76602 
1 1 1 4  5  101 o 43.45256 14.63654 0.1395400      0.1039856     0.3106277      0.1576473     0.7772469E-02  0.1383507     61.64962 17.63132 35.23493 15.30197 26.41469       23.34553 
1 1 1 4  5  102 o 52.95373 15.57636 0.2214094      0.1214948     0.3365120      0.1842941     0.1329336      0.1615776     63.50678 19.30483 45.85710 17.81014 17.64968       26.26552 
1 1 1 4  5  103 o 18.88518 9.146153 -0.1141682     0.7351253E-01 -0.2470911     0.1092237     -0.4091907E-02 0.9939487E-01 20.39222 10.12275 29.65102 12.92275 -9.258804      16.41547 
1 1 1 4  5  104 o 32.28750 13.60034 0.2441675E-01  0.1034008     0.3923191E-01  0.1571523     0.1310662E-01  0.1373097     39.02812 16.61773 35.42651 15.31459 3.601612       22.59836 
1 1 1 4  5  105 o 28.26329 12.21012 0.1877878E-02  0.8717004E-01 0.2718288E-01  0.1309408     -0.1826303E-01 0.1168185     35.56015 15.15557 30.97382 13.73391 4.586330       20.45267 
1 1 1 4  5  106 o 53.79790 15.88686 0.2334065      0.1261680     0.7850143E-01  0.1899001     0.3558190      0.1688127     43.61846 18.40523 65.06694 18.11929 -21.44848      25.82752 
1 1 1 4  5  107 o 49.66361 15.56560 0.1983252      0.1187348     0.3468443      0.1799400     0.8378652E-01  0.1580202     63.20453 19.04477 41.28711 17.05696 21.91742       25.56644 
1 1 1 4  5  108 o 48.18552 15.53154 0.1892467      0.1175309     0.1828463      0.1768949     0.1943051      0.1572600     48.61734 18.70408 49.04922 17.88120 -0.4318848     25.87624 
1 1 1 4  5  109 o 36.88435 15.01587 0.7517551E-01  0.1202121     0.1596096      0.1639092     -0.2310290E-01 0.1768371     45.68823 17.88419 35.90366 16.32236 9.784576       24.21288 
1 1 1 4  5  110 o 72.94593 19.92915 0.5194731      0.2064320     0.8572466      0.2924671     0.1841287      0.2914135     89.64439 23.38307 49.35436 21.79711 40.29002       31.96689 
1 1 1 4  5  111 o 25.40404 12.14451 -0.1106094     0.1201334     -0.1695086     0.1777239     -0.6105560E-01 0.1630158     29.51068 14.27487 31.82753 14.88836 -2.316843      20.62608 
1 1 1 4  5  112 o 33.28664 14.97782 0.2456886E-01  0.1444201     0.2519863      0.2084587     -0.1853311     0.2002693     47.74876 19.64409 30.14292 14.71030 17.60585       24.54146 
1 1 1 4  5  113 o 24.39079 11.84429 -0.1258520     0.1254638     -0.2703570E-01 0.1688640     -0.2476228     0.1874537     31.47415 14.85667 26.78433 13.28995 4.689817       19.93347 
1 1 1 4  5  114 o 43.30968 20.50986 0.4193060      0.3266779     0.000000       0.000000      0.4193060      0.3266779     ?        ?        43.30968 20.50986 0.000000       20.50986 
1 1 1 4  5  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  0   o 236.2997 23.18848 3.991347       0.7398890     3.991347       0.7398890     0.000000       0.000000      236.2997 23.18848 236.2997 23.18848 -0.000000      0.000000 
1 1 1 4  6  1   o 107.3846 13.51937 0.8124232      0.1960207     0.8607769      0.2413354     0.7186760      0.3360357     110.0965 16.37331 99.30798 24.62643 10.78851       29.57273 
1 1 1 4  6  2   o 169.8469 13.10098 2.012448       0.3048815     1.885168       0.3729104     2.269033       0.5294693     163.8067 16.72118 178.8783 21.89303 -15.07159      27.54819 
1 1 1 4  6  3   o 304.4917 11.44750 6.423396       0.4813093     6.194330       0.5550038     7.118235       0.9666229     298.8163 13.45097 318.2954 22.13084 -19.47906      25.89793 
1 1 1 4  6  4   f 380.2291 11.62150 10.01760       0.6101624     9.830032       0.7039663     10.58410       1.223398      376.4101 13.54418 388.1697 22.92660 -11.75964      26.62844 
1 1 1 4  6  5   o 125.9092 13.16603 1.111469       0.2255170     1.140772       0.2762599     1.052938       0.3904400     127.1062 16.10132 120.4527 24.31268 6.653542       29.16092 
1 1 1 4  6  6   o 218.4160 12.98897 3.320394       0.3899732     3.459187       0.4780210     3.044209       0.6743169     222.5534 15.65485 207.0292 24.03543 15.52422       28.68408 
1 1 1 4  6  7   o 399.8602 13.35541 11.09351       0.7374004     10.91771       0.8991271     11.45469       1.288760      396.1775 16.43589 403.6743 23.21865 -7.496735      28.44722 
1 1 1 4  6  8   o 394.4799 11.69946 10.78542       0.6372776     11.34354       0.8996613     10.22335       0.9028404     403.8557 16.13299 383.2310 17.06131 20.62463       23.48109 
1 1 1 4  6  9   o 267.3883 11.32005 4.954499       0.4179543     4.929644       0.5879416     4.979891       0.5942623     265.7395 16.09881 267.0788 16.19036 -1.339294      22.83199 
1 1 1 4  6  10  o 290.4238 11.36284 5.845584       0.4556769     5.984546       0.6441466     5.706382       0.6447028     292.8841 15.98808 285.8980 16.39948 6.986084       22.90331 
1 1 1 4  6  11  o 369.4294 11.51278 9.460495       0.5872860     9.564481       0.8310737     9.356772       0.8300230     370.7209 16.23508 366.6447 16.39483 4.076263       23.07310 
1 1 1 4  6  12  o 466.0203 11.78698 15.05873       0.7584820     14.74989       1.067329      15.37382       1.078063      460.1984 16.79636 469.8745 16.61592 -9.676117      23.62639 
1 1 1 4  6  13  o 277.4326 11.28983 5.335568       0.4324967     5.326439       0.6114180     5.344710       0.6118678     276.1608 16.10373 276.6389 16.08739 -0.4781189     22.76257 
1 1 1 4  6  14  o 135.2975 11.35935 1.278031       0.2102535     1.299685       0.2971885     1.256333       0.2974986     135.6837 16.18150 133.3094 16.51521 2.374313       23.12127 
1 1 1 4  6  15  o 276.3547 11.31556 5.295611       0.4317983     5.299690       0.6105542     5.291530       0.6107559     275.3916 16.12627 275.1749 16.14458 0.2167358      22.81894 
1 1 1 4  6  16  o 91.77392 11.74862 0.5937065      0.1454649     0.6014037      0.2049596     0.5858943      0.2064858     91.47188 16.84794 90.19286 17.20771 1.279015       24.08233 
1 1 1 4  6  17  o 204.0634 11.31187 2.897063       0.3174933     2.908880       0.4487519     2.885218       0.4492552     203.6938 16.08566 202.8412 16.17426 0.8526611      22.81130 
1 1 1 4  6  18  o 214.4178 11.31063 3.198127       0.3336926     3.220892       0.4720613     3.175391       0.4717639     214.3719 16.06431 212.8222 16.17454 1.549728       22.79644 
1 1 1 4  6  19  o 147.4366 11.35604 1.517190       0.2294110     1.492457       0.3239666     1.542066       0.3249078     145.3625 16.42854 147.8386 16.18013 -2.476074      23.05849 
1 1 1 4  6  20  o 114.9370 11.53877 0.9260522      0.1806570     0.9566240      0.2550975     0.8952929      0.2558793     115.9744 16.38600 111.9787 17.09010 3.995682       23.67641 
1 1 1 4  6  21  f 218.9554 11.34929 3.336574       0.3419555     3.236274       0.4816747     3.438494       0.4855449     214.6998 16.37080 221.4269 15.98789 -6.727081      22.88265 
1 1 1 4  6  22  o 166.8788 11.34182 1.942172       0.2597985     1.909081       0.3666692     1.975532       0.3681565     164.5546 16.35377 167.4702 16.11962 -2.915634      22.96275 
1 1 1 4  6  23  o 189.6153 11.34204 2.505472       0.2956008     2.557540       0.4175756     2.453170       0.4185113     190.7208 16.00416 186.6779 16.40227 4.042923       22.91653 
1 1 1 4  6  24  o 349.6401 11.52800 8.492871       0.5565618     8.518401       0.7864274     8.467256       0.7877687     349.0803 16.31531 348.0102 16.39339 1.070160       23.12861 
1 1 1 4  6  25  o 175.3213 11.38863 2.144379       0.2742105     2.188745       0.3877314     2.099985       0.3878530     176.2335 16.11150 172.5110 16.48277 3.722504       23.04913 
1 1 1 4  6  26  o 145.5378 11.46253 1.481099       0.2284886     1.418063       0.3223239     1.544771       0.3239456     141.3419 16.84714 147.7621 16.13957 -6.420135      23.33049 
1 1 1 4  6  27  o 166.8282 11.43402 1.943981       0.2618053     1.841156       0.3699930     2.047091       0.3705047     161.2299 16.86895 170.3136 15.93996 -9.083710      23.20870 
1 1 1 4  6  28  o 135.4505 11.51532 1.285284       0.2133318     1.227754       0.3017970     1.342738       0.3015966     131.2218 17.05950 137.5257 16.19220 -6.303955      23.52050 
1 1 1 4  6  29  o 98.45169 11.87605 0.6843629      0.1581879     0.7460150      0.2244320     0.6234962      0.2229980     101.8817 16.51896 92.60948 18.08725 9.272194       24.49540 
1 1 1 4  6  30  o 157.6597 11.51122 1.739504       0.2488673     1.696824       0.3522475     1.782040       0.3516563     154.5401 16.77647 158.5387 16.29562 -3.998627      23.38797 
1 1 1 4  6  31  o 358.9441 11.62068 8.975685       0.5759655     9.027546       0.8165586     8.924335       0.8125327     358.3524 16.50210 356.2928 16.51566 2.059631       23.34708 
1 1 1 4  6  32  o 313.1489 11.53090 6.833254       0.4985999     6.869378       0.7064604     6.797400       0.7038005     312.0828 16.45194 310.4292 16.47810 1.653656       23.28506 
1 1 1 4  6  33  o 84.71809 12.37772 0.5111726      0.1405230     0.5016576      0.1997898     0.5204883      0.1976860     82.74823 17.99784 84.40513 17.53461 -1.656898      25.12737 
1 1 1 4  6  34  o 216.2271 11.47615 3.268775       0.3414181     3.131350       0.4819510     3.407216       0.4837302     210.1394 16.74862 219.4766 16.07342 -9.337189      23.21360 
1 1 1 4  6  35  o 97.21919 12.13283 0.6699604      0.1593286     0.6730060      0.2257733     0.6669388      0.2248787     96.14472 17.65695 95.69852 17.66877 0.4462051      24.97906 
1 1 1 4  6  36  f 418.4938 11.81399 12.23011       0.6826904     12.09685       0.9636968     12.36434       0.9672529     413.7831 16.86668 418.4033 16.74199 -4.620117      23.76508 
1 1 1 4  6  37  o 275.6932 11.51140 5.306452       0.4382199     5.298558       0.6197093     5.314349       0.6197639     273.4364 16.49037 273.8558 16.46605 -0.4194336     23.30372 
1 1 1 4  6  38  o 261.1830 11.52909 4.764419       0.4157935     4.796547       0.5885566     4.732407       0.5874865     260.0291 16.47702 258.2424 16.56259 1.786713       23.36262 
1 1 1 4  6  39  o 193.0176 13.49194 2.626156       0.3573295     2.801985       0.6254418     2.540952       0.4353828     195.4165 23.66078 188.7550 16.88280 6.661575       29.06650 
1 1 1 4  6  40  f 174.3313 16.79831 2.170810       0.3993652     2.346129       0.5671115     1.998335       0.5624922     178.5368 23.58102 163.6037 25.75029 14.93304       34.91621 
1 1 1 4  6  41  o 180.6655 24.56433 2.415154       0.5969105     2.415154       0.5969105     0.000000       0.000000      180.6655 24.56433 ?        ?        0.000000       24.56433 
1 1 1 4  6  42  f 226.3827 23.80349 3.757948       0.7329389     3.757948       0.7329389     0.000000       0.000000      226.3827 23.80349 ?        ?        0.000000       23.80349 
1 1 1 4  6  43  o 92.80458 12.36110 0.6130984      0.1544641     0.6210750      0.3094818     0.6104522      0.1782536     90.81834 24.23022 92.09737 14.49608 -1.279030      28.23544 
1 1 1 4  6  44  o 270.2023 11.57295 5.101436       0.4317885     5.209618       0.8612062     5.065111       0.4990452     267.2014 23.58359 268.3370 13.51186 -1.135651      27.18007 
1 1 1 4  6  45  o 107.8535 10.93801 0.8196561      0.1606427     0.7586771      0.2563824     0.8590699      0.2061208     101.7248 18.94979 109.7845 13.90893 -8.059662      23.50644 
1 1 1 4  6  46  f 70.63258 12.09914 0.3582865      0.1137593     0.2885382      0.1857632     0.4001391      0.1438977     63.41773 19.40330 74.21910 14.56119 -10.80137      24.25935 
1 1 1 4  6  47  o 175.3624 9.529458 2.145882       0.2298841     2.191802       0.3244773     2.099604       0.3257369     176.3264 13.42783 172.4583 13.79415 3.868103       19.25059 
1 1 1 4  6  48  o 245.9244 9.433898 4.206732       0.3203545     4.147141       0.4514649     4.267167       0.4546512     242.8719 13.51549 246.4049 13.41311 -3.533051      19.04153 
1 1 1 4  6  49  o 353.1025 9.578187 8.672912       0.4670056     8.616325       0.6586894     8.730103       0.6622160     350.6190 13.60527 352.9329 13.58844 -2.313904      19.22886 
1 1 1 4  6  50  o 96.01521 9.998766 0.6483645      0.1306190     0.6736304      0.1840196     0.6227084      0.1854349     97.03297 14.15071 93.03622 14.94010 3.996750       20.57788 
1 1 1 4  6  51  o 120.2484 9.763006 1.012293       0.1607071     0.9920514      0.2260853     1.032966       0.2284818     118.1407 14.14006 120.6224 13.97683 -2.481651      19.88198 
1 1 1 4  6  52  o 158.4097 9.571271 1.751157       0.2083747     1.678588       0.2936250     1.824785       0.2957592     154.1543 13.94528 160.9037 13.43461 -6.749420      19.36387 
1 1 1 4  6  53  o 54.80753 12.03852 0.2177739      0.8861553E-01 0.2072007      0.1245034     0.2286295      0.1261555     53.76684 15.75454 56.18966 15.66942 -2.422813      22.22017 
1 1 1 4  6  54  o 102.0676 10.31099 0.7324052      0.1433278     0.7165976      0.2021627     0.7483808      0.2032339     99.93023 15.12385 102.2360 14.82917 -2.305779      21.18101 
1 1 1 4  6  55  o 95.94071 10.14798 0.6475868      0.1323970     0.7053371      0.1860931     0.5883937      0.1884034     99.39997 13.94179 90.22164 15.69292 9.178329       20.99145 
1 1 1 4  6  56  o 138.7023 9.780983 1.344738       0.1861283     1.468782       0.2626497     1.219601       0.2638043     144.2595 13.33637 130.9817 14.84823 13.27782       19.95818 
1 1 1 4  6  57  o 201.5317 9.547026 2.824557       0.2656743     2.643448       0.3744344     3.008175       0.3770192     193.6502 14.09979 206.8768 13.26813 -13.22653      19.36097 
1 1 1 4  6  58  o 166.9160 9.719529 1.944858       0.2230475     1.890049       0.3152584     1.999791       0.3156155     163.5533 14.09719 168.3718 13.69400 -4.818436      19.65341 
1 1 1 4  6  59  o 93.52035 10.81862 0.6176878      0.1371272     0.4647780      0.1927830     0.7742819      0.1950918     79.46096 17.98891 104.1777 13.90950 -24.71671      22.73929 
1 1 1 4  6  60  o 269.9232 9.544043 5.070801       0.3557219     4.859432       0.5014350     5.284944       0.5047144     262.7246 13.87132 274.5268 13.31444 -11.80215      19.22727 
1 1 1 4  6  61  o 143.7704 9.839237 1.446303       0.1941557     1.465539       0.2737881     1.426843       0.2753739     143.7725 13.96745 141.7671 14.26076 2.005417       19.96144 
1 1 1 4  6  62  o 73.93280 11.48656 0.3908112      0.1134581     0.3381531      0.1592629     0.4450747      0.1616722     67.75585 17.03951 78.09436 15.53926 -10.33851      23.06108 
1 1 1 4  6  63  o 219.6351 10.60405 3.367708       0.3215966     3.206889       0.4123416     3.617442       0.5138397     212.9884 14.10025 225.2612 16.63748 -12.27275      21.80878 
1 1 1 4  6  64  o 149.9099 11.07829 1.579585       0.2276950     1.567002       0.2939607     1.598458       0.3600035     148.3698 14.53514 148.7459 17.88623 -0.3761292     23.04751 
1 1 1 4  6  65  o 171.4927 10.86414 2.064599       0.2559349     2.407684       0.4117091     1.848516       0.3267381     183.3849 16.43312 161.0599 14.85933 22.32498       22.15507 
1 1 1 4  6  66  o 186.0675 10.60924 2.428738       0.2714499     2.394973       0.3526698     2.477820       0.4251994     183.6913 14.00971 185.7895 16.75449 -2.098221      21.83998 
1 1 1 4  6  67  o 50.62765 12.41840 0.1872557      0.8615622E-01 0.1879640      0.1114519     0.1862040      0.1358152     50.99228 14.89575 51.66420 16.70053 -0.6719208     22.37837 
1 1 1 4  6  68  o 101.0665 10.08665 0.7208002      0.1388839     0.7583334      0.1928764     0.6803833      0.2001484     102.7148 13.96077 96.75684 15.50425 5.957924       20.86348 
1 1 1 4  6  69  o 86.97160 9.977353 0.5353839      0.1176523     0.4822439      0.1729293     0.5811780      0.1605324     80.97288 16.03372 89.84258 13.34578 -8.869705      20.86120 
1 1 1 4  6  70  o 145.3531 9.949230 1.483682       0.1984869     1.421623       0.3379018     1.516377       0.2452607     139.6653 17.93564 146.3253 12.25140 -6.660034      21.72059 
1 1 1 4  6  71  o 272.8325 9.739206 5.202144       0.3669084     5.394447       0.5205948     5.012344       0.5171956     276.2246 13.64896 265.6855 14.14870 10.53906       19.65909 
1 1 1 4  6  72  o 54.14703 12.37713 0.2144567      0.9052246E-01 0.2110664      0.1164045     0.2196440      0.1439854     53.72163 15.07667 55.28585 17.11057 -1.564224      22.80521 
1 1 1 4  6  73  o 87.74891 9.331819 0.5435978      0.1113345     0.5540682      0.1569359     0.5329888      0.1579708     87.61238 13.39813 85.78647 13.80406 1.825912       19.23699 
1 1 1 4  6  74  f 186.7018 8.416306 2.429701       0.2169741     2.317754       0.3063443     2.542388       0.3073537     180.9736 12.33256 189.7732 11.78741 -8.799622      17.05975 
1 1 1 4  6  75  o 37.90749 11.12832 0.1026852      0.6206813E-01 0.7675229E-01  0.8949810E-01 0.1267156      0.8615263E-01 36.63090 13.46883 42.43516 13.25232 -5.804260      18.89533 
1 1 1 4  6  76  o 46.33369 11.44925 0.1568049      0.7282709E-01 0.1632225      0.1056009     0.1509843      0.1005693     47.78505 14.63103 46.12332 14.30423 1.661728       20.46163 
1 1 1 4  6  77  o 50.71329 10.78984 0.1871173      0.7323544E-01 0.1781450      0.1061303     0.1952733      0.1011875     49.57899 14.55091 51.60223 13.89271 -2.023232      20.11806 
1 1 1 4  6  78  o 69.84577 11.53807 0.3517536      0.1073928     0.3704077      0.1584333     0.3358970      0.1460714     70.53501 16.55160 67.24567 15.96899 3.289337       22.99922 
1 1 1 4  6  79  o 117.3532 9.710646 0.9701056      0.1559414     1.139685       0.2332888     0.8331296      0.2096667     126.1273 13.61084 107.3430 14.51797 18.78426       19.90041 
1 1 1 4  6  80  o 160.0504 9.293660 1.796895       0.2045068     1.710078       0.3054070     1.867465       0.2753546     154.3905 14.49558 162.1970 12.38821 -7.806488      19.06802 
1 1 1 4  6  81  o 142.0301 9.566188 1.418211       0.1865180     1.322672       0.2773211     1.497125       0.2520401     135.3372 15.09706 144.9694 12.71941 -9.632172      19.74094 
1 1 1 4  6  82  f 130.9992 10.08599 1.210629       0.1810393     1.134764       0.2691019     1.273354       0.2446917     124.8165 15.98067 133.2820 13.48104 -8.465424      20.90742 
1 1 1 4  6  83  o 108.5433 9.832835 0.8328775      0.1457739     0.5965636      0.2143715     1.036142       0.1988169     89.17322 18.02962 120.4853 12.11456 -31.31210      21.72165 
1 1 1 4  6  84  o 130.9796 9.716247 1.210430       0.1744751     1.193174       0.2581739     1.224935       0.2367110     128.2343 14.85555 130.5597 13.31662 -2.325378      19.95043 
1 1 1 4  6  85  o 151.5020 9.135666 1.615426       0.1902218     1.539383       0.2687530     1.691764       0.2692762     146.2652 13.45778 153.6722 12.80671 -7.407043      18.57750 
1 1 1 4  6  86  o 84.90028 11.68914 0.5205983      0.1334010     0.5869310      0.1724640     0.4218000      0.2104793     89.26093 14.48947 73.79817 20.10764 15.46275       24.78430 
1 1 1 4  6  87  o 129.7249 13.76492 1.224865       0.2428001     1.057048       0.3585553     1.366987       0.3299658     115.1141 23.35586 134.6611 18.21281 -19.54710      29.61761 
1 1 1 4  6  88  o 82.71038 14.05661 0.5079623      0.1547931     0.2322404      0.2711252     0.6412988      0.1885423     60.23650 23.16035 92.62225 15.27449 -32.38575      27.74368 
1 1 1 4  6  89  o 145.8367 9.938743 1.516550       0.1989480     1.357999       0.2679071     1.711478       0.2970551     135.5443 14.54128 152.4809 14.27471 -16.93655      20.37685 
1 1 1 4  6  90  f 101.2180 10.99309 0.7422233      0.1511739     0.8125135      0.2088672     0.6648890      0.2190829     103.9791 14.97970 92.36848 17.82269 11.61061       23.28174 
1 1 1 4  6  91  o 73.03473 12.79435 0.3989050      0.1243261     0.3724713      0.1729394     0.4271789      0.1788572     68.35996 18.05337 73.33396 17.83471 -4.973999      25.37718 
1 1 1 4  6  92  o 87.57656 12.90557 0.5728405      0.1513859     0.5840890      0.2442278     0.5658219      0.1929180     83.58050 21.14560 84.76670 17.07238 -1.186203      27.17725 
1 1 1 4  6  93  o 88.15040 14.44460 0.5931466      0.1697283     0.6819473      0.2373276     0.5001797      0.2428311     91.38868 19.40648 76.47914 21.88575 14.90954       29.25060 
1 1 1 4  6  94  o 76.48556 14.63391 0.4518740      0.1489221     0.4171749      0.1941059     0.5015244      0.2321890     70.95298 19.30027 76.67846 21.21348 -5.725479      28.67947 
1 1 1 4  6  95  o 52.21112 14.66051 0.2127503      0.1100367     0.2091820      0.1596623     0.2159784      0.1518615     52.23147 18.12187 52.68920 17.68816 -0.4577332     25.32337 
1 1 1 4  6  96  o 86.99963 11.55809 0.5621590      0.1354120     0.8780155      0.1989293     0.2894357      0.1848480     107.6118 13.69808 59.42804 19.50035 48.18376       23.83068 
1 1 1 4  6  97  o 24.56489 10.76974 -0.1005452E-01 0.6995009E-01 0.2966400E-01  0.1007180     -0.4706459E-01 0.9722330E-01 32.40362 13.52086 26.52539 12.07576 5.878233       18.12837 
1 1 1 4  6  98  o 56.80035 14.32944 0.2528299      0.1123799     0.3298978      0.1652207     0.1864769      0.1533056     63.34249 18.02717 49.85581 17.72069 13.48668       25.27849 
1 1 1 4  6  99  o 64.87579 13.87730 0.3262189      0.1205550     0.3841749      0.1776168     0.2767131      0.1641584     68.13596 18.43245 58.29157 18.30773 9.844395       25.97938 
1 1 1 4  6  100 o 57.28749 14.29402 0.2568695      0.1127041     0.2865922      0.1654183     0.2311179      0.1539719     59.21980 18.34185 53.98746 17.80135 5.232338       25.55996 
1 1 1 4  6  101 f 140.7560 10.68708 1.448571       0.2061624     1.747701       0.3126289     1.218389       0.2742431     150.5179 15.25252 124.5561 16.33946 25.96185       22.35212 
1 1 1 4  6  102 o 63.04257 15.73824 0.3185425      0.1365780     0.4378472      0.2092824     0.2300395      0.1802531     71.31644 20.28644 54.02393 19.21374 17.29251       27.94114 
1 1 1 4  6  103 o 109.1883 11.86112 0.8919997      0.1759535     0.8702165      0.2653060     0.9091045      0.2350956     101.5046 19.63887 106.6277 16.50039 -5.123177      25.65051 
1 1 1 4  6  104 o 101.9058 12.01591 0.7847304      0.1658295     0.8260270      0.2520020     0.7531901      0.2202323     98.46283 19.22485 95.65100 17.31185 2.811829       25.87074 
1 1 1 4  6  105 o 92.04925 12.55655 0.6535239      0.1554347     0.5994305      0.2367854     0.6944829      0.2060427     80.64730 21.04144 91.22189 16.98256 -10.57459      27.03978 
1 1 1 4  6  106 f 40.90169 15.42936 0.1215539      0.1189020     0.1146032      0.1658952     0.1288963      0.1705053     42.77713 17.55276 43.95692 17.88783 -1.179783      25.06140 
1 1 1 4  6  107 o 45.04739 16.69022 0.1677391      0.1378909     0.2324070      0.2315744     0.1322150      0.1716358     50.97295 20.80644 43.39951 17.83631 7.573441       27.40514 
1 1 1 4  6  108 o 22.56622 10.61485 -0.6639311E-01 0.8484570E-01 -0.3176810     0.1613510     0.2964804E-01  0.9975039E-01 24.35224 12.12398 30.68655 13.15685 -6.334303      17.89116 
1 1 1 4  6  109 o 47.45064 17.93038 0.2258665      0.1607465     0.3263510      0.2503559     0.1553846      0.2096754     51.88291 21.45485 43.20298 18.80016 8.679932       28.52642 
1 1 1 4  6  110 o 34.61155 15.58416 0.5406945E-01  0.1566483     -0.3929726E-01 0.2152981     0.1590955      0.2283456     34.09995 16.28950 41.36456 18.70230 -7.264610      24.80169 
1 1 1 4  6  111 f 27.30184 13.18751 -0.8536460E-01 0.1503187     -0.5375770E-01 0.2531918     -0.1025695     0.1868033     33.36159 16.33611 29.24606 14.25817 4.115534       21.68326 
1 1 1 4  6  112 o ?        ?        -0.3508867     0.6945387E-01 0.000000       0.000000      -0.3508867     0.6945387E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  0   o 383.0051 23.46327 10.38568       1.230214      0.000000       0.000000      10.38568       1.230214      383.0051 23.46327 383.0051 23.46327 0.000000       0.000000 
1 1 1 4  7  1   o 254.5817 13.40154 4.529168       0.4694482     5.088608       0.5822288     3.489697       0.7936387     269.2937 15.72613 219.2872 26.76575 50.00647       31.04378 
1 1 1 4  7  2   o 141.5184 13.27446 1.407500       0.2563673     1.524473       0.3148716     1.177458       0.4415636     146.8207 15.77892 126.1665 26.20281 20.65417       30.58695 
1 1 1 4  7  3   o 252.2619 13.17305 4.445892       0.4572635     4.197564       0.5577089     4.955194       0.7986971     244.2352 16.63627 263.6200 22.14669 -19.38481      27.69912 
1 1 1 4  7  4   o 130.4409 11.65717 1.192541       0.2077520     1.299400       0.2413720     0.8870902      0.4080849     135.9632 13.01569 109.1169 27.18460 26.84637       30.13985 
1 1 1 4  7  5   o 151.5642 13.20977 1.612894       0.2736945     1.542943       0.3351704     1.752886       0.4741535     147.4609 16.75845 155.6661 22.72909 -8.205231      28.23928 
1 1 1 4  7  6   o 193.1986 13.09216 2.612942       0.3472020     2.497686       0.4242585     2.846667       0.6041592     188.1065 16.50057 199.1886 22.35157 -11.08211      27.78240 
1 1 1 4  7  7   o 237.7573 13.09973 3.951725       0.4284057     3.925518       0.5241323     4.004474       0.7435992     236.2046 16.16717 236.3273 23.08166 -0.1226654     28.18050 
1 1 1 4  7  8   o 188.8245 13.10119 2.497112       0.3394783     2.509641       0.4153656     2.471905       0.5891551     188.6211 16.10211 184.9758 23.60434 3.645325       28.57346 
1 1 1 4  7  9   o 182.8341 13.08533 2.342295       0.3281703     2.287923       0.4006511     2.453145       0.5720624     179.9611 16.30004 184.4247 22.96115 -4.463623      28.15858 
1 1 1 4  7  10  o 244.0551 11.35470 4.143245       0.3826499     3.995497       0.5365615     4.296155       0.5458556     238.1589 16.41630 247.0916 16.08627 -8.932739      22.98397 
1 1 1 4  7  11  o 267.4502 11.36837 4.976371       0.4198356     4.900040       0.5906922     5.054297       0.5968297     263.8569 16.29239 268.0205 16.20283 -4.163574      22.97767 
1 1 1 4  7  12  o 154.3919 11.38134 1.667449       0.2409255     1.727944       0.3399833     1.606426       0.3414616     156.2175 15.98642 150.3865 16.72694 5.831070       23.13777 
1 1 1 4  7  13  o 115.1376 11.55391 0.9318597      0.1812117     0.9278704      0.2553926     0.9359045      0.2571605     113.7891 16.75598 114.2805 16.79772 -0.4913788     23.72607 
1 1 1 4  7  14  o 105.5692 11.67440 0.7853472      0.1673324     0.7757711      0.2359602     0.7950349      0.2373331     103.7590 17.06256 105.1023 16.92832 -1.343307      24.03537 
1 1 1 4  7  15  o 269.4332 11.33124 5.054065       0.4215669     5.016155       0.5959073     5.092045       0.5964643     266.7811 16.25407 268.8365 16.14264 -2.055481      22.90807 
1 1 1 4  7  16  o 68.48959 12.36147 0.3369587      0.1126033     0.3584977      0.1588962     0.3152294      0.1595964     70.03641 16.67097 65.73264 17.33502 4.303764       24.05045 
1 1 1 4  7  17  o 132.7446 11.46049 1.236437       0.2080073     1.307708       0.2942715     1.165267       0.2940621     135.5400 16.03395 127.5661 17.12681 7.973976       23.46093 
1 1 1 4  7  18  o 229.7831 11.32699 3.678177       0.3593939     3.800758       0.5088627     3.556174       0.5076589     232.0404 15.97918 224.2484 16.51088 7.792007       22.97701 
1 1 1 4  7  19  o 138.6305 11.48928 1.348309       0.2179504     1.405786       0.3080121     1.290670       0.3084452     140.5122 16.16995 134.3434 17.00835 6.168839       23.46809 
1 1 1 4  7  20  o 194.1857 11.44009 2.637142       0.3053949     2.376463       0.4294986     2.903717       0.4343291     182.8039 17.21811 202.7065 15.63805 -19.90260      23.25967 
1 1 1 4  7  21  o 272.4293 11.42029 5.174086       0.4296045     4.922566       0.6049145     5.430040       0.6102254     263.7874 16.69350 277.3646 16.00107 -13.57724      23.12374 
1 1 1 4  7  22  o 409.2919 11.76799 11.68896       0.6650795     11.80346       0.9418496     11.57508       0.9392844     409.1262 16.67195 405.0872 16.79231 4.038910       23.66296 
1 1 1 4  7  23  o 280.1418 11.44360 5.474741       0.4426683     5.268795       0.6233435     5.684273       0.6287465     272.7928 16.62780 283.5877 16.12307 -10.79483      23.16111 
1 1 1 4  7  24  o 333.9973 11.55801 7.785728       0.5330451     7.725651       0.7520548     7.846377       0.7556370     330.8781 16.46052 333.4754 16.41011 -2.597260      23.24307 
1 1 1 4  7  25  o 270.4389 11.45090 5.104706       0.4276091     5.068232       0.6035268     5.141472       0.6059415     267.4793 16.42002 269.4355 16.36437 -1.956146      23.18209 
1 1 1 4  7  26  o 179.2342 11.49487 2.251766       0.2829873     2.129247       0.3985858     2.376296       0.4018430     172.7537 16.92668 182.8626 16.07790 -10.10889      23.34548 
1 1 1 4  7  27  f 229.4916 11.40143 3.677276       0.3612967     3.625367       0.5096799     3.729706       0.5122312     225.9504 16.44895 229.2567 16.28701 -3.306290      23.14810 
1 1 1 4  7  28  o 199.0538 13.33136 2.790386       0.3643056     2.972389       0.4463862     2.427381       0.6304177     204.6320 15.92327 180.6676 26.02081 23.96437       30.50628 
1 1 1 4  7  29  o 259.5875 13.34357 4.738998       0.4766756     4.755747       0.5831144     4.705258       0.8275929     258.8490 16.39907 253.6427 23.91180 5.206253       28.99489 
1 1 1 4  7  30  o 171.7405 16.73228 2.106947       0.3917551     2.341130       0.5562568     1.876485       0.5518205     178.5491 23.10395 158.2397 26.16955 20.30943       34.90899 
1 1 1 4  7  31  o 131.1545 25.02229 1.291510       0.4366215     0.000000       0.000000      1.291510       0.4366215     ?        ?        131.1545 25.02229 0.000000       25.02229 
1 1 1 4  7  32  o 84.30408 23.42234 0.5316429      0.2824278     0.000000       0.000000      0.5316429      0.2824278     ?        ?        84.30408 23.42234 0.000000       23.42234 
1 1 1 4  7  33  f 197.7342 16.33237 2.782979       0.4419409     2.644688       0.6247792     2.921464       0.6252188     189.2687 24.47977 199.7341 23.09545 -10.46532      33.65500 
1 1 1 4  7  34  f 108.8678 17.13367 0.8587046      0.2490535     1.053324       0.3551358     0.6703592      0.3493648     119.1061 22.41608 94.13618 26.01245 24.96987       34.33844 
1 1 1 4  7  35  o 192.3657 11.53908 2.594264       0.3050883     2.548840       0.4316046     2.639628       0.4313155     189.1081 16.70027 192.5846 16.37479 -3.476517      23.38873 
1 1 1 4  7  36  o 212.4068 11.54056 3.160520       0.3372100     3.177092       0.4773420     3.144012       0.4764331     211.3987 16.48296 210.2656 16.54312 1.133072       23.35300 
1 1 1 4  7  37  o 87.41066 12.66441 0.5454895      0.1484050     0.5188290      0.2110898     0.5715455      0.2086835     83.85341 18.70638 88.30828 17.72988 -4.454872      25.77358 
1 1 1 4  7  38  o 193.9875 11.58506 2.637200       0.3089029     2.647934       0.4378615     2.626565       0.4358547     192.8976 16.60058 192.1151 16.59302 0.7825470      23.47142 
1 1 1 4  7  39  o 247.3208 11.51831 4.270869       0.3933576     4.327321       0.5572785     4.214815       0.5553100     247.0181 16.43200 243.7054 16.60073 3.312653       23.35797 
1 1 1 4  7  40  o 50.31367 13.70597 0.1832751      0.9780493E-01 0.1249641      0.1389172     0.2405892      0.1377246     46.19591 16.81137 57.66079 16.47585 -11.46487      23.53881 
1 1 1 4  7  41  o 119.6790 12.03550 1.010294       0.1961964     1.019449       0.2780607     1.001218       0.2768702     118.8750 17.46020 117.7568 17.56481 1.118240       24.76653 
1 1 1 4  7  42  o 106.0752 12.28365 0.7963548      0.1765907     0.8754333      0.2505126     0.7182480      0.2489684     110.1342 17.02175 99.05840 18.89129 11.07581       25.42874 
1 1 1 4  7  43  o 370.2062 11.78072 9.566288       0.6022176     9.587833       0.8524002     9.544817       0.8509302     368.5822 16.74832 367.7502 16.75726 0.8320313      23.69202 
1 1 1 4  7  44  o 152.8451 11.92613 1.640435       0.2497112     1.461064       0.3514368     1.823336       0.3548784     142.5488 18.27523 160.0808 16.28131 -17.53200      24.47581 
1 1 1 4  7  45  o 279.8980 11.64162 5.466054       0.4499365     5.474745       0.6363521     5.457365       0.6362606     278.1418 16.64535 277.6891 16.67068 0.4526367      23.55800 
1 1 1 4  7  46  o 175.6799 11.77717 2.163128       0.2840403     2.100758       0.4014206     2.225669       0.4019673     171.6871 17.16255 176.9211 16.64991 -5.233978      23.91177 
1 1 1 4  7  47  o 71.25860 14.02651 0.3678617      0.1331009     0.4425668      0.1892673     0.2947674      0.1872157     77.59560 18.01124 64.12196 19.44954 13.47365       26.50829 
1 1 1 4  7  48  o 37.92845 13.39741 0.8813169E-01  0.8749606E-01 -0.1138238E-01 0.1224757     0.1918571      0.1250404     33.56571 14.48701 52.09075 15.91610 -18.52504      21.52198 
1 1 1 4  7  49  o 87.65898 11.65646 0.5452562      0.1375934     0.8148760      0.2223812     0.3780156      0.1751432     106.5802 15.56999 71.72799 17.77397 34.85224       23.62919 
1 1 1 4  7  50  o 177.9262 9.508907 2.207529       0.2327733     2.144827       0.3282619     2.270947       0.3301282     174.4347 13.73978 179.6060 13.40807 -5.171280      19.19786 
1 1 1 4  7  51  o 152.2056 9.719239 1.618024       0.2032020     1.671809       0.2877054     1.564489       0.2870379     153.8729 13.68372 148.6974 14.15034 5.175446       19.68441 
1 1 1 4  7  52  o 57.74236 11.33270 0.2405242      0.8713146E-01 0.2448314      0.1224159     0.2361017      0.1240452     57.94389 15.13470 56.96776 15.40086 0.9761276      21.59272 
1 1 1 4  7  53  o 155.8869 9.665192 1.697484       0.2070196     1.671783       0.2914958     1.723638       0.2940610     153.7533 13.87962 156.1644 13.77821 -2.411087      19.55717 
1 1 1 4  7  54  o 95.14603 10.32293 0.6381455      0.1334469     0.5587507      0.1873055     0.7199889      0.1901720     87.66656 16.06518 100.3012 14.12202 -12.63464      21.38975 
1 1 1 4  7  55  o 96.40498 10.24795 0.6549308      0.1343272     0.5955201      0.1884042     0.7163547      0.1915700     90.66284 15.61293 99.97920 14.28242 -9.316360      21.16013 
1 1 1 4  7  56  o 71.00526 11.42141 0.3609558      0.1081854     0.3388987      0.1521131     0.3835332      0.1538970     67.87491 16.41072 72.32421 15.84800 -4.449303      22.81383 
1 1 1 4  7  57  o 98.07500 11.67412 0.6821064      0.1549898     0.6225193      0.1963263     0.7806724      0.2525025     92.58743 15.93090 103.2229 18.38962 -10.63551      24.33047 
1 1 1 4  7  58  o 60.35795 13.59348 0.2661425      0.1105690     0.2356191      0.1372561     0.3225649      0.1866127     56.98220 16.49751 66.33139 19.24563 -9.349186      25.34881 
1 1 1 4  7  59  o 144.0867 10.93595 1.459840       0.2159567     0.9630880      0.3366354     1.807246       0.2815197     113.3933 22.29447 159.8832 12.86048 -46.48991      25.73782 
1 1 1 4  7  60  o 200.3764 11.76586 2.824640       0.3241146     2.800436       0.4639454     2.847714       0.4529857     197.4570 17.18738 199.3838 16.60440 -1.926819      23.89795 
1 1 1 4  7  61  o 228.6044 11.82408 3.676496       0.3719644     3.777154       0.4337718     3.396843       0.7230126     231.0081 13.65938 212.9736 25.06542 18.03450       28.54564 
1 1 1 4  7  62  o 209.0478 11.87212 3.077683       0.3412848     2.851976       0.3962505     3.726174       0.6716603     200.2720 14.42546 225.0381 21.89217 -24.76614      26.21757 
1 1 1 4  7  63  o 79.80673 12.42113 0.4580603      0.1324275     0.5417116      0.1993696     0.3920126      0.1771542     85.55663 17.46682 72.55365 17.81380 13.00298       24.94837 
1 1 1 4  7  64  o 149.6512 10.86370 1.577023       0.2229593     1.615247       0.3445530     1.549487       0.2924411     149.4063 17.00417 147.1920 14.58031 2.214279       22.39927 
1 1 1 4  7  65  o 79.53360 13.22971 0.4575471      0.1401872     0.4459066      0.2297270     0.4644538      0.1769546     76.93254 21.02574 79.24097 16.69906 -2.308426      26.85033 
1 1 1 4  7  66  o 64.49364 14.29899 0.3057221      0.1239981     0.5384635      0.2051842     0.1718207      0.1556323     85.07588 18.02654 51.26132 17.88567 33.81456       25.39396 
1 1 1 4  7  67  o 95.75463 10.97297 0.6509654      0.1424660     0.6679683      0.1993458     0.6332154      0.2036788     95.72553 15.62017 92.88425 16.48428 2.841286       22.70950 
1 1 1 4  7  68  o 115.0557 10.54954 0.9348450      0.1657357     0.9163642      0.2323118     0.9540008      0.2365161     112.5257 15.35201 114.8702 15.29116 -2.344521      21.66804 
1 1 1 4  7  69  o 63.90445 12.48300 0.2972632      0.1062002     0.4580375      0.1493758     0.1329359      0.1510173     79.28011 14.16494 47.49809 17.49117 31.78202       22.50748 
1 1 1 4  7  70  o 229.2396 9.781548 3.675762       0.3096245     3.407728       0.4359306     3.948632       0.4398459     218.5872 14.52559 235.8321 13.56418 -17.24492      19.87409 
1 1 1 4  7  71  o 143.9908 10.35086 1.459888       0.2044287     1.298006       0.2905754     1.618537       0.2876585     133.8948 16.03556 150.4784 14.00489 -16.58357      21.29029 
1 1 1 4  7  72  o 154.5668 10.21752 1.680618       0.2168417     1.527965       0.3096146     1.827580       0.3037893     145.5298 15.65363 159.9907 13.88899 -14.46086      20.92702 
1 1 1 4  7  73  o 140.8118 10.60206 1.398280       0.2046296     1.667523       0.2942563     1.146141       0.2847572     152.6672 14.11849 125.3453 16.88172 27.32197       22.00737 
1 1 1 4  7  74  o 245.0066 9.863666 4.202385       0.3336984     4.122854       0.4757112     4.279430       0.4682196     240.4206 14.39581 245.2304 13.88429 -4.809799      20.00033 
1 1 1 4  7  75  o 115.0005 10.97169 0.9370700      0.1721119     0.9785624      0.2460380     0.8973086      0.2408509     116.0250 15.76549 110.8684 16.21172 5.156647       22.61350 
1 1 1 4  7  76  o 133.8844 11.69618 1.271836       0.2140575     1.330945       0.2840310     1.194125       0.3256687     135.6694 15.43647 126.8859 19.18673 8.783524       24.62550 
1 1 1 4  7  77  o 167.2765 11.19812 1.977545       0.2571597     1.878816       0.3381590     2.112947       0.3960122     161.4002 15.35845 170.4179 17.05797 -9.017715      22.95335 
1 1 1 4  7  78  o 151.9006 11.31796 1.634270       0.2356883     1.628316       0.3117305     1.642215       0.3601058     150.1034 15.25196 149.5804 17.78329 0.5229645      23.42792 
1 1 1 4  7  79  o 241.6374 10.87961 4.111953       0.3630072     4.272400       0.4763388     3.889687       0.5606415     244.2679 14.18357 230.7261 17.73321 13.54176       22.70772 
1 1 1 4  7  80  o 93.57222 11.55251 0.6276774      0.1460970     0.6735390      0.1813754     0.5429454      0.2465346     96.16253 14.07628 83.76438 21.27428 12.39815       25.50954 
1 1 1 4  7  81  o 80.29824 10.95906 0.4633226      0.1183385     0.5305984      0.1633414     0.3890008      0.1716820     84.91425 14.44834 71.60608 17.50939 13.30817       22.70095 
1 1 1 4  7  82  o 146.7669 10.28425 1.528013       0.2071029     1.660514       0.2558990     1.276463       0.3525906     152.1800 12.28257 129.1096 20.45980 23.07040       23.86346 
1 1 1 4  7  83  o 154.7942 12.85953 1.729670       0.2723755     1.379423       0.3971844     2.040608       0.3742336     132.3601 22.53961 165.9340 16.55408 -33.57394      27.96555 
1 1 1 4  7  84  o 131.8571 12.87763 1.262752       0.2314718     1.265115       0.4598843     1.261950       0.2678773     121.7235 27.95106 130.6187 15.13256 -8.895203      31.78452 
1 1 1 4  7  85  o 64.33621 13.26469 0.3100452      0.1139238     0.3391099      0.1604523     0.2804972      0.1617811     66.03735 17.36517 60.25666 18.03616 5.780689       25.03702 
1 1 1 4  7  86  o 55.90574 14.08135 0.2379691      0.1086446     0.3364229      0.1480291     0.1230102      0.1599565     65.81483 16.35940 46.02354 17.76357 19.79129       24.14901 
1 1 1 4  7  87  o 134.6110 10.71789 1.308832       0.1975672     1.345620       0.2726109     1.268135       0.2867278     133.7522 15.02028 128.7414 16.50961 5.010818       22.31985 
1 1 1 4  7  88  o 126.4245 10.92829 1.161122       0.1888992     1.263116       0.3170467     1.104989       0.2352048     126.2195 18.76182 121.2045 14.33104 5.015007       23.60899 
1 1 1 4  7  89  o 66.65289 16.06929 0.3504515      0.1461681     0.1979188      0.2066686     0.5031149      0.2067572     53.33142 20.28801 78.31544 19.25457 -24.98401      27.97037 
1 1 1 4  7  90  o 77.56574 12.74602 0.4530147      0.1317725     0.6425996      0.1722996     0.1858794      0.2045257     91.93790 14.01555 52.20518 20.10414 39.73272       24.50739 
1 1 1 4  7  91  o 119.9441 10.79275 1.051229       0.1768372     1.042275       0.2518974     1.059931       0.2483122     115.6174 16.22507 116.9545 15.77875 -1.337128      22.63232 
1 1 1 4  7  92  o 112.7106 11.04877 0.9328542      0.1697448     0.8805468      0.2420827     0.9834455      0.2380781     105.2050 17.26335 112.4620 15.76430 -7.257011      23.37812 
1 1 1 4  7  93  f 47.13754 14.04088 0.1712172      0.9822221E-01 -0.1584371E-01 0.1411687     0.3467536      0.1367510     34.19251 15.13242 66.27002 15.25964 -32.07751      21.49062 
1 1 1 4  7  94  o 67.01627 13.59562 0.3463036      0.1215090     0.1816902      0.1734054     0.5051027      0.1703155     50.19803 18.69313 79.86143 16.00224 -29.66341      24.60701 
1 1 1 4  7  95  o 91.38445 12.46802 0.6267918      0.1532229     0.7626708      0.2178825     0.4938476      0.2155167     98.08135 16.68537 76.24622 20.16194 21.83514       26.17070 
1 1 1 4  7  96  o 182.3655 9.880021 2.405525       0.2478651     2.318427       0.3339879     2.512310       0.3698114     175.1754 13.92249 181.2620 14.90740 -6.086639      20.39770 
1 1 1 4  7  97  f 180.0241 9.930797 2.346592       0.2459063     2.103990       0.3299203     2.649835       0.3688563     166.1254 14.52863 186.6555 14.42318 -20.53014      20.47216 
1 1 1 4  7  98  o 133.1539 10.75291 1.299060       0.1960183     1.362898       0.2666315     1.223979       0.2891604     133.1449 14.75056 123.7563 17.40207 9.388626       22.81252 
1 1 1 4  7  99  o 192.1091 10.58426 2.699767       0.2796842     3.013737       0.3975459     2.392076       0.3935505     198.0476 14.64095 173.9020 16.59044 24.14561       22.12691 
1 1 1 4  7  100 o 141.7514 11.14912 1.489465       0.2164647     1.531068       0.3068532     1.448253       0.3054064     138.5075 16.36013 134.1415 16.86088 4.365982       23.49347 
1 1 1 4  7  101 o 55.46900 15.51367 0.2523288      0.1234714     0.3195692      0.1755497     0.1865019      0.1736950     60.58724 18.91660 49.30936 18.63716 11.27787       26.55526 
1 1 1 4  7  102 o 38.46814 14.64149 0.9969006E-01  0.1076736     0.1069657      0.1549021     0.9288812E-01  0.1497744     41.98978 17.06428 40.68578 16.68445 1.303993       23.86547 
1 1 1 4  7  103 f 52.30707 18.89562 0.2449006      0.1750312     0.3992246      0.3315020     0.1852488      0.2061015     60.53785 24.82329 48.46819 19.68868 12.06966       31.68343 
1 1 1 4  7  104 f 46.86021 18.06596 0.1898295      0.1653020     0.8187130E-01  0.3244500     0.2276768      0.1921044     46.45084 21.48018 49.79663 19.39762 -3.345783      28.94245 
1 1 1 4  7  105 o 101.8276 20.08919 1.034609       0.2724329     1.400824       0.5082617     0.8869787      0.3227066     85.72852 31.98767 83.09801 25.59899 2.630508       40.96973 
1 1 1 4  7  106 o 40.81004 17.10805 0.1410790      0.1623487     0.1550531      0.3460105     0.1371341      0.1838414     44.63551 21.12914 41.07298 17.73806 3.562531       27.58767 
1 1 1 4  7  107 o 48.06866 20.19873 0.3197837      0.2271787     0.5508133E-01  0.3704156     0.4793832      0.2876246     40.03795 19.63713 52.81640 22.48487 -12.77845      29.85275 
1 1 1 4  7  108 o 38.18417 17.57870 0.1723174      0.2138012     0.3989020      0.3557575     0.4421508E-01  0.2674961     42.64413 20.51986 35.12596 17.11098 7.518169       26.71798 
1 1 1 4  7  109 o 36.17397 17.56958 0.2514683      0.2764202     0.000000       0.000000      0.2514683      0.2764202     ?        ?        36.17397 17.56958 0.000000       17.56958 
1 1 1 4  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  0   o 128.8423 27.41711 1.319673       0.4287342     1.319673       0.4287342     0.000000       0.000000      128.8423 27.41711 128.8423 27.41711 -0.000000      0.000000 
1 1 1 4  8  1   o 252.9774 16.31687 4.540703       0.5669369     3.997044       0.7952840     5.102466       0.8084169     233.0287 25.11252 265.2339 22.27976 -32.20520      33.57121 
1 1 1 4  8  2   o 319.0897 16.46997 7.217618       0.7232027     7.646659       1.028230      6.797581       1.017382      324.4500 23.10206 304.9787 24.36221 19.47134       33.57413 
1 1 1 4  8  3   o 141.2565 17.11905 1.432568       0.3270880     2.632798       0.4737003     0.3388490      0.4521935     191.7061 18.10943 77.79099 29.91028 113.9151       34.96535 
1 1 1 4  8  4   o 74.23627 17.70824 0.4063070      0.1789808     0.2814805      0.2553294     0.5268989      0.2509613     65.44173 22.90472 84.05099 21.52835 -18.60926      31.43400 
1 1 1 4  8  5   o 73.52446 17.67710 0.3985604      0.1772549     0.4994575      0.2567629     0.3066940      0.2450029     81.86338 22.16854 66.81385 22.46679 15.04953       31.56265 
1 1 1 4  8  6   o 73.90430 17.56297 0.4025650      0.1765850     0.2305809      0.2513779     0.5701095      0.2481121     61.76136 22.59342 87.49734 20.83493 -25.73598      30.73365 
1 1 1 4  8  7   o 66.80560 17.24799 0.3281848      0.1602022     0.3461528      0.2281454     0.3107077      0.2250074     69.31895 21.55224 66.40094 21.49915 2.918007       30.44195 
1 1 1 4  8  8   o 91.46034 17.44946 0.6118469      0.2123291     0.8006205      0.3020770     0.4275025      0.2985122     103.6894 21.79044 77.02872 24.74458 26.66069       32.97146 
1 1 1 4  8  9   o 234.5906 16.29886 3.909474       0.5246884     3.931977       0.7404693     3.886781       0.7435834     231.8579 23.45092 230.3669 23.71492 1.490997       33.35181 
1 1 1 4  8  10  o 336.9754 16.41098 8.033903       0.7636085     7.444580       1.067600      8.651202       1.092646      318.9587 24.42584 344.9852 23.07024 -26.02652      33.59848 
1 1 1 4  8  11  o 142.8199 13.45479 1.443765       0.2622132     1.574183       0.4470026     1.375344       0.3237701     145.9989 22.92845 138.2470 17.34231 7.751892       28.74839 
1 1 1 4  8  12  o 276.0974 16.51698 5.413292       0.6268059     0.000000       0.000000      5.413292       0.6268059     ?        ?        276.0974 16.51698 0.000000       16.51698 
1 1 1 4  8  13  o 216.5905 16.42098 3.336894       0.4874537     0.000000       0.000000      3.336894       0.4874537     ?        ?        216.5905 16.42098 0.000000       16.42098 
1 1 1 4  8  14  o 151.0601 16.59590 1.633234       0.3404639     0.000000       0.000000      1.633234       0.3404639     ?        ?        151.0601 16.59590 0.000000       16.59590 
1 1 1 4  8  15  o 146.6468 16.64622 1.540492       0.3311025     0.000000       0.000000      1.540492       0.3311025     ?        ?        146.6468 16.64622 0.000000       16.64622 
1 1 1 4  8  16  o 249.6112 13.27441 4.382922       0.4558831     3.832073       0.7821428     4.666352       0.5610389     227.8568 25.28552 256.5523 15.91577 -28.69553      29.87757 
1 1 1 4  8  17  o 113.3247 16.94526 0.9281994      0.2570209     0.9500638      0.3669124     0.9071338      0.3601469     112.3506 24.35351 109.7230 24.40172 2.627571       34.47517 
1 1 1 4  8  18  o 191.2614 16.35014 2.604276       0.4276544     2.831593       0.6111544     2.386180       0.5986295     196.7398 22.92679 179.5567 24.80709 17.18314       33.77913 
1 1 1 4  8  19  o 79.50103 14.32503 0.4573087      0.1514713     0.3931006      0.1856914     0.5849907      0.2618555     72.96028 18.42697 88.51288 21.61238 -15.55260      28.40156 
1 1 1 4  8  20  o 185.8287 13.24753 2.433165       0.3377010     2.473005       0.4143111     2.354303       0.5829126     186.4131 16.25853 178.6609 24.25557 7.752243       29.20056 
1 1 1 4  8  21  o 148.8168 13.37162 1.565086       0.2718400     1.510734       0.3331239     1.673421       0.4703067     145.1861 16.93484 150.5723 23.37847 -5.386215      28.86765 
1 1 1 4  8  22  o 237.7145 11.41965 3.946083       0.3748406     4.083464       0.5306982     3.809314       0.5295132     239.9745 16.10906 231.5263 16.67462 8.448257       23.18502 
1 1 1 4  8  23  o 193.6254 11.47122 2.626925       0.3053304     2.516509       0.4302916     2.738905       0.4333292     187.9416 16.75642 196.3466 16.12537 -8.404968      23.25522 
1 1 1 4  8  24  o 200.1434 11.46528 2.805887       0.3155382     2.776421       0.4455121     2.835546       0.4469683     197.5888 16.47933 199.7406 16.34913 -2.151840      23.21341 
1 1 1 4  8  25  o 232.5064 11.43095 3.774195       0.3669910     3.821699       0.5189666     3.726676       0.5190408     232.1105 16.29551 229.1094 16.51746 3.001099       23.20280 
1 1 1 4  8  26  o 167.6625 11.52179 1.971683       0.2651246     2.022733       0.3748895     1.920604       0.3749960     168.5306 16.31384 164.0343 16.79267 4.496323       23.41228 
1 1 1 4  8  27  o 107.1498 11.99763 0.8118948      0.1744644     0.6920384      0.2452574     0.9346733      0.2482293     97.10705 18.97117 114.0335 16.22190 -16.92644      24.96108 
1 1 1 4  8  28  o 176.0568 11.54496 2.172614       0.2791077     2.063226       0.3934053     2.283474       0.3960437     170.0632 16.97997 179.2456 16.17563 -9.182419      23.45145 
1 1 1 4  8  29  o 196.3510 11.51514 2.699591       0.3108399     2.672048       0.4393639     2.727192       0.4398244     193.9033 16.56879 195.9616 16.40531 -2.058334      23.31650 
1 1 1 4  8  30  o 140.1212 11.69710 1.379708       0.2242492     1.398132       0.3168055     1.361207       0.3174681     139.8042 16.74413 137.8368 17.04318 1.967361       23.89217 
1 1 1 4  8  31  o 195.2979 11.58801 2.670567       0.3110983     2.471326       0.4379278     2.873548       0.4420198     186.2670 17.22157 201.3592 16.03040 -15.09215      23.52777 
1 1 1 4  8  32  o 397.5557 11.81136 11.03213       0.6483893     11.42164       0.9212995     10.64986       0.9126832     402.3919 16.58111 388.3376 17.02051 14.05429       23.76196 
1 1 1 4  8  33  o 154.0962 11.68634 1.666110       0.2468102     1.643111       0.3484240     1.689272       0.3496640     151.7058 16.92121 153.9030 16.72291 -2.197250      23.79040 
1 1 1 4  8  34  o 273.5415 11.56881 5.219801       0.4369684     5.408832       0.6192475     5.032325       0.6166937     276.6064 16.28487 266.5573 16.84145 10.04913       23.42715 
1 1 1 4  8  35  o 139.7520 11.78627 1.372321       0.2253204     1.409116       0.3185474     1.335478       0.3187551     140.4092 16.76142 136.4924 17.30096 3.916779       24.08875 
1 1 1 4  8  36  o 143.8042 11.85629 1.452728       0.2333292     1.507516       0.3301600     1.398061       0.3297949     145.2971 16.76379 139.6504 17.48600 5.646698       24.22364 
1 1 1 4  8  37  o 222.5494 11.58283 3.464017       0.3547123     3.352793       0.5008171     3.575974       0.5024649     217.3962 16.81432 224.7316 16.30304 -7.335403      23.42030 
1 1 1 4  8  38  o 166.9984 11.73714 1.955241       0.2689332     2.059479       0.3814217     1.852190       0.3792455     170.2021 16.43378 161.0672 17.32441 9.134933       23.87895 
1 1 1 4  8  39  o 229.3496 11.62377 3.678910       0.3669119     3.490612       0.5174288     3.869352       0.5203673     221.7574 17.02798 233.8304 16.21672 -12.07306      23.51455 
1 1 1 4  8  40  o 253.6792 11.58424 4.489701       0.4057796     4.517124       0.5744715     4.462396       0.5732485     252.5803 16.56313 251.0120 16.63330 1.568253       23.47347 
1 1 1 4  8  41  o 65.86611 13.85386 0.3151605      0.1220062     0.2413556      0.1722597     0.3894526      0.1728274     58.80211 18.78740 72.81815 17.42188 -14.01604      25.62202 
1 1 1 4  8  42  o 63.53462 13.66630 0.2934053      0.1163358     0.3019282      0.1629539     0.2845459      0.1661397     64.32352 17.76166 62.67797 18.15167 1.645557       25.39606 
1 1 1 4  8  43  f 284.1303 11.62742 5.635398       0.4561827     5.567302       0.6445767     5.703731       0.6457041     280.3077 16.72962 283.8101 16.54839 -3.502380      23.53146 
1 1 1 4  8  44  o 123.6853 12.17073 1.079174       0.2051689     1.028059       0.2895483     1.130719       0.2907608     119.1464 18.17500 125.3396 17.25763 -6.193207      25.06305 
1 1 1 4  8  45  o 110.4912 12.33823 0.8641183      0.1850286     0.8054008      0.2617511     0.9227630      0.2615887     104.9777 18.74506 112.9520 17.32504 -7.974281      25.52517 
1 1 1 4  8  46  o 153.1610 11.86681 1.649475       0.2490100     1.789385       0.3541085     1.512613       0.3502300     158.2935 16.44059 144.9567 17.87628 13.33678       24.28692 
1 1 1 4  8  47  o 115.4582 12.33646 0.9433402      0.1936325     0.8857772      0.2747871     1.000115       0.2728980     110.1177 18.74326 117.5971 17.32518 -7.479332      25.52394 
1 1 1 4  8  48  f 68.85921 14.07892 0.3451493      0.1293487     0.4185073      0.1864068     0.2770248      0.1796346     75.23720 18.15179 62.13258 19.09230 13.10462       26.34394 
1 1 1 4  8  49  o 248.0983 11.74016 4.306934       0.4021941     3.959405       0.5660218     4.661343       0.5715958     235.3676 17.54197 256.0775 16.24932 -20.70988      23.91152 
1 1 1 4  8  50  o 108.6080 12.63949 0.8381454      0.1860072     0.6319656      0.2609971     1.050955       0.2651600     91.92940 21.01857 120.7561 16.32046 -28.82672      26.61086 
1 1 1 4  8  51  o 202.7504 11.84957 2.889383       0.3302996     3.117940       0.4690979     2.664651       0.4651554     208.9925 16.38660 192.5828 17.68988 16.40976       24.11333 
1 1 1 4  8  52  o 273.1705 13.82145 5.272233       0.5196494     4.635607       0.8978029     5.592954       0.6372402     248.6163 26.56369 280.0062 16.55511 -31.38986      31.30018 
1 1 1 4  8  53  o 143.4083 18.23315 1.494142       0.3528926     1.773256       0.5008392     1.218947       0.4973106     153.6243 24.42807 124.6991 29.36690 28.92521       38.19876 
1 1 1 4  8  54  o 46.30020 19.35045 0.4174221E-01  0.2067612     0.4174221E-01  0.2067612     0.000000       0.000000      46.30020 19.35045 ?        ?        0.000000       19.35045 
1 1 1 4  8  55  o 58.32153 17.16648 0.2477785      0.1475243     0.1110714      0.2342731     0.3376086      0.1899055     52.67790 21.13357 67.53690 19.36261 -14.85900      28.66249 
1 1 1 4  8  56  o 86.17717 11.26525 0.5291055      0.1308429     0.6672919      0.2019289     0.4290976      0.1717842     95.69771 15.83501 76.13208 16.79195 19.56563       23.08067 
1 1 1 4  8  57  o 73.10868 11.89065 0.3846478      0.1159110     0.3957011      0.1779677     0.3765048      0.1527521     72.87674 17.83128 71.40131 15.90129 1.475426       23.89154 
1 1 1 4  8  58  o 91.66798 12.03939 0.6002893      0.1487057     0.5354773      0.2419860     0.6396158      0.1884976     84.18118 20.91159 93.84232 15.05592 -9.661133      25.76772 
1 1 1 4  8  59  o 120.5040 11.22874 1.027081       0.1846890     0.8978291      0.2945812     1.110791       0.2370677     109.7214 20.18743 124.5578 14.02782 -14.83638      24.58275 
1 1 1 4  8  60  o 221.4654 9.640220 3.427011       0.2948022     3.376355       0.4154613     3.478382       0.4183807     218.0330 13.87184 221.3660 13.75551 -3.333023      19.53566 
1 1 1 4  8  61  o 74.66656 11.32788 0.3997521      0.1131255     0.5255801      0.1595671     0.2726013      0.1604036     85.11478 14.06839 60.93748 17.88984 24.17730       22.75886 
1 1 1 4  8  62  o 170.7216 9.820627 2.044523       0.2305321     1.914337       0.3242457     2.177600       0.3278269     163.6575 14.49837 174.9399 13.68009 -11.28249      19.93358 
1 1 1 4  8  63  f 190.7455 9.744432 2.550533       0.2557980     2.617801       0.3613230     2.482944       0.3621844     191.8426 13.73073 186.6384 14.15921 5.204224       19.72349 
1 1 1 4  8  64  o 117.4821 10.33545 0.9739420      0.1659574     1.000414       0.2335832     0.9469573      0.2358314     117.8258 14.67503 114.3791 15.31658 3.446632       21.21212 
1 1 1 4  8  65  o 242.0384 9.701221 4.097333       0.3242266     4.185655       0.4588419     4.009254       0.4582101     242.7074 13.74769 237.3765 14.04187 5.330917       19.65129 
1 1 1 4  8  66  o 67.53649 12.77466 0.3320477      0.1147675     0.2674215      0.1638568     0.3942835      0.1607978     60.41555 18.16683 72.86230 16.38043 -12.44675      24.46124 
1 1 1 4  8  67  o 154.2867 10.04786 1.673688       0.2128944     1.689199       0.3036606     1.658694       0.2985603     153.5317 14.49513 152.1722 14.37926 1.359512       20.41744 
1 1 1 4  8  68  o 98.82140 10.96787 0.6937598      0.1471374     0.6430302      0.2111876     0.7416129      0.2051128     93.30450 17.01893 100.9864 15.17884 -7.681908      22.80441 
1 1 1 4  8  69  o 231.9379 9.822067 3.765946       0.3145666     3.543912       0.4455830     3.986553       0.4441492     222.7343 14.56809 236.7645 13.64323 -14.03011      19.95913 
1 1 1 4  8  70  o 131.5131 10.36116 1.220137       0.1866308     1.299654       0.2656045     1.142587       0.2622982     134.4130 14.54239 125.6133 15.44800 8.799698       21.21608 
1 1 1 4  8  71  o 200.6830 9.895836 2.821826       0.2742213     2.911139       0.3873410     2.732080       0.3882756     201.9329 13.97745 195.3519 14.49750 6.580994       20.13819 
1 1 1 4  8  72  o 148.6537 10.36484 1.558529       0.2114220     1.477981       0.2961415     1.642260       0.3019344     143.0112 15.23093 151.0632 14.65946 -8.052078      21.13956 
1 1 1 4  8  73  o 132.7290 10.69350 1.246575       0.1943231     1.332293       0.2720238     1.157248       0.2776926     135.8089 14.74253 125.8261 16.37061 9.982765       22.03041 
1 1 1 4  8  74  o 54.06956 12.57866 0.2153022      0.9214395E-01 0.2620265      0.1287630     0.1662610      0.1319167     59.30306 15.53777 49.10933 16.48575 10.19373       22.65397 
1 1 1 4  8  75  o 72.61427 12.83817 0.3851628      0.1240162     0.4419167      0.1728421     0.3249409      0.1780444     76.69157 16.78742 65.58118 18.73085 11.11040       25.15277 
1 1 1 4  8  76  o 101.1793 13.28909 0.7426702      0.1811722     0.7737751      0.2211258     0.6791505      0.3159942     102.1651 16.21644 92.15517 24.43500 10.00997       29.32648 
1 1 1 4  8  77  o 45.87018 15.62100 0.1443752      0.1184570     0.1225591      0.1369106     0.2093364      0.2362516     44.98236 16.63780 57.69740 21.75296 -12.71504      27.38627 
1 1 1 4  8  78  o 161.9615 13.52106 1.901714       0.2996202     1.913465       0.4058346     1.887636       0.4442157     159.0149 18.85004 156.2392 21.13274 2.775665       28.31814 
1 1 1 4  8  79  o 173.7470 14.38666 2.210041       0.3420505     2.573812       0.5808926     2.016967       0.4231977     178.9996 24.11580 162.3908 19.24776 16.60875       30.85528 
1 1 1 4  8  80  o 84.90735 16.79974 0.5531802      0.1899893     0.4593838      0.2393235     0.7130340      0.3124306     75.30112 21.77951 92.37297 24.20340 -17.07185      32.55997 
1 1 1 4  8  81  o 143.8705 13.24381 1.519175       0.2601471     1.525990       0.3537441     1.511147       0.3839119     140.2281 18.73773 137.8377 20.81975 2.390335       28.01008 
1 1 1 4  8  82  o 128.9509 11.91248 1.213246       0.2097141     1.269013       0.3181302     1.170387       0.2788898     127.2334 18.66252 123.4966 16.78985 3.736847       25.10356 
1 1 1 4  8  83  o 91.44396 15.44726 0.6414103      0.1881010     0.9729696      0.3891768     0.5403458      0.2148650     103.5072 26.96101 81.53746 19.37088 21.96979       33.19830 
1 1 1 4  8  84  o 48.85903 17.75712 0.1683778      0.1549133     -0.5379122E-02 0.3263112     0.2189330      0.1760128     50.35342 22.59738 53.89934 19.00593 -3.545914      29.52739 
1 1 1 4  8  85  o 90.81371 18.20521 0.6632383      0.2203401     0.3860432      0.4111502     0.7749260      0.2609818     68.78980 27.85588 96.85361 20.16972 -28.06381      34.39139 
1 1 1 4  8  86  o 137.6834 13.19642 1.417391       0.2478121     1.450581       0.3516687     1.384654       0.3492623     133.4534 19.67403 129.9168 20.11964 3.536575       28.14014 
1 1 1 4  8  87  o 41.89116 14.99601 0.1215947      0.1099723     0.1841971      0.1607924     0.6657353E-01  0.1507423     50.07152 18.10725 40.37980 16.66900 9.691719       24.61154 
1 1 1 4  8  88  o 44.98439 15.85217 0.1463305      0.1224267     0.1383756      0.1768977     0.1536433      0.1696074     47.20585 18.54904 47.93110 18.34438 -0.7252502     26.08799 
1 1 1 4  8  89  o 49.75965 15.83192 0.1923711      0.1224237     0.2085437      0.1790626     0.1781763      0.1677563     52.54126 19.09174 49.71367 18.41112 2.827591       26.52289 
1 1 1 4  8  90  o 133.4632 12.66362 1.330244       0.2305824     1.483551       0.3055549     1.127458       0.3514199     137.6433 16.39952 113.3579 23.23166 24.28538       28.43684 
1 1 1 4  8  91  o 73.56107 16.48185 0.4329733      0.1632631     0.5158193      0.2184712     0.3281918      0.2456973     78.02524 20.14059 62.58410 22.41358 15.44114       30.13323 
1 1 1 4  8  92  o 176.6574 13.35002 2.341203       0.3232464     2.606466       0.4590150     2.080231       0.4552868     179.7493 18.77049 157.0326 21.56644 22.71667       28.59096 
1 1 1 4  8  93  o 131.9068 14.44861 1.329447       0.2588618     1.153154       0.3646534     1.508538       0.3675353     113.7584 23.97070 134.5959 20.41632 -20.83743      31.48683 
1 1 1 4  8  94  o 149.1151 13.87428 1.688756       0.2823960     1.660458       0.3991460     1.717118       0.3995910     139.7830 21.35728 142.7196 20.89549 -2.936569      29.87900 
1 1 1 4  8  95  o 127.0419 12.28456 1.209198       0.2128088     1.172963       0.2698523     1.268799       0.3460917     121.4474 16.52034 121.2501 21.45659 0.1973572      27.07964 
1 1 1 4  8  96  o 40.70614 14.03838 0.1217003      0.9574477E-01 0.6799310E-01  0.1356235     0.1750606      0.1351847     38.58784 15.85651 47.63639 16.66664 -9.048542      23.00447 
1 1 1 4  8  97  o 47.14062 14.52266 0.1773332      0.1038602     0.1110992      0.1458760     0.2454236      0.1479061     42.21596 16.76258 54.08799 17.42222 -11.87203      24.17681 
1 1 1 4  8  98  o 91.18069 12.60113 0.6463718      0.1544135     0.6547216      0.2071472     0.6359301      0.2316487     87.19016 17.80775 83.24538 20.32849 3.944771       27.02524 
1 1 1 4  8  99  o 67.20203 16.44193 0.3915090      0.1513211     0.5976707      0.2295662     0.2331099      0.2012243     78.70898 20.80663 51.41607 19.90158 27.29292       28.79216 
1 1 1 4  8  100 o 96.60967 19.44670 0.8803487      0.2504419     0.3146397      0.4439005     1.144495       0.3033274     54.89618 25.29349 107.9469 21.10630 -53.05071      32.94293 
1 1 1 4  8  101 o 122.4376 18.21979 1.409188       0.2986455     1.271935       0.5365363     1.470802       0.3594809     77.35334 31.63333 115.9494 23.26182 -38.59603      39.26550 
1 1 1 4  8  102 o 107.1893 25.45090 1.475249       0.3710784     0.6966466      0.5393309     2.175169       0.5113541     55.21902 26.20845 114.9314 31.35220 -59.71236      40.86372 
1 1 1 4  8  103 o 72.02016 24.58047 0.8213080      0.2933141     0.6753343      0.4351803     0.9428245      0.3970540     52.70070 24.54342 63.86171 26.76231 -11.16101      36.31255 
1 1 1 4  8  104 o 29.84329 14.12256 -0.1416424E-01 0.1543448     -0.4690540E-01 0.2608131     0.3481694E-02  0.1914717     33.44177 16.41723 32.27434 15.40194 1.167431       22.51101 
1 1 1 4  8  105 o 34.10503 16.53811 0.1284539      0.2422952     0.000000       0.000000      0.1284539      0.2422952     ?        ?        34.10503 16.53811 0.000000       16.53811 
1 1 1 4  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  0   o 159.8546 25.60740 1.933974       0.5217468     0.000000       0.000000      1.933974       0.5217468     159.8546 25.60740 159.8546 25.60740 0.000000       0.000000 
1 1 1 4  9  1   o 260.0295 16.38165 4.785619       0.5851840     4.152534       0.8184574     5.447722       0.8370046     238.1277 25.27785 274.7361 22.25469 -36.60846      33.67849 
1 1 1 4  9  2   o 171.7152 16.61850 2.098529       0.3891095     2.697266       0.5563660     1.525275       0.5443971     193.1940 21.20456 141.8452 28.77861 51.34879       35.74691 
1 1 1 4  9  3   o 127.7732 17.13568 1.172437       0.2947111     1.637246       0.4215072     0.7278914      0.4122171     150.1211 20.90117 98.28374 28.62906 51.83733       35.44688 
1 1 1 4  9  4   o 167.8101 13.43202 1.984148       0.3086326     1.968696       0.3779763     2.015063       0.5346239     166.2533 16.69008 165.5810 24.08926 0.6723022      29.30616 
1 1 1 4  9  5   o 187.9546 13.31884 2.485229       0.3434280     2.374526       0.4202356     2.707830       0.5959028     182.6809 16.84939 192.9225 22.81091 -10.24168      28.35912 
1 1 1 4  9  6   o 183.9212 13.41059 2.380754       0.3382320     2.480239       0.4159990     2.186717       0.5809742     186.9188 16.28020 172.1614 25.18366 14.75732       29.98770 
1 1 1 4  9  7   o 99.37801 14.22021 0.7060431      0.1895714     0.8977517      0.2339414     0.3394099      0.3235208     111.9593 15.55250 72.41900 25.74240 39.54029       30.07576 
1 1 1 4  9  8   o 202.3964 13.36069 2.879946       0.3712954     2.842324       0.4555031     2.954442       0.6409664     200.0830 16.63795 201.3463 23.49629 -1.263382      28.79058 
1 1 1 4  9  9   o 265.5984 13.36854 4.950748       0.4887147     4.719720       0.5971141     5.419548       0.8505869     258.0789 16.84831 273.8509 22.69862 -15.77200      28.26823 
1 1 1 4  9  10  o 257.5426 13.36293 4.655402       0.4735807     4.484435       0.5785650     5.002537       0.8244153     251.5857 16.75011 262.9347 22.93670 -11.34900      28.40173 
1 1 1 4  9  11  f 238.4187 13.29691 3.990528       0.4360095     4.085550       0.5340267     3.800542       0.7551162     240.3033 16.18835 228.2975 24.32861 12.00578       29.22232 
1 1 1 4  9  12  o 310.0437 13.35177 6.728897       0.5716096     6.937889       0.7008048     6.313508       0.9880050     313.3979 16.25011 294.7131 24.50058 18.68472       29.39974 
1 1 1 4  9  13  o 231.0355 11.48419 3.723037       0.3663676     3.859928       0.5150069     3.582783       0.5212945     233.5960 16.06415 224.7177 16.92420 8.878311       23.33421 
1 1 1 4  9  14  o 141.3042 11.63790 1.402145       0.2250548     1.436152       0.3157788     1.367040       0.3208326     141.8633 16.42412 138.1507 17.19026 3.712555       23.77513 
1 1 1 4  9  15  o 189.5825 11.50211 2.515783       0.2996784     2.579463       0.4221253     2.451076       0.4255136     190.7222 16.18152 185.6981 16.77578 5.024094       23.30812 
1 1 1 4  9  16  o 189.4720 11.50654 2.512834       0.2996172     2.417952       0.4216533     2.609602       0.4258229     184.4458 16.73803 191.8296 16.22810 -7.383850      23.31336 
1 1 1 4  9  17  o 243.8908 11.45268 4.148440       0.3856920     3.926178       0.5427980     4.375102       0.5481431     235.3475 16.81354 248.7816 16.04201 -13.43404      23.23879 
1 1 1 4  9  18  o 128.7965 11.78941 1.166909       0.2073429     1.068059       0.2916521     1.267924       0.2948279     121.6885 17.89122 133.2106 16.37315 -11.52211      24.25234 
1 1 1 4  9  19  o 325.6955 11.57300 7.399273       0.5204701     7.857539       0.7422652     6.956028       0.7299999     334.0414 16.09240 313.5474 16.92361 20.49405       23.35324 
1 1 1 4  9  20  o 322.1487 11.64182 7.239897       0.5178636     7.503101       0.7374620     6.983839       0.7273814     325.8945 16.44097 314.2191 16.82560 11.67535       23.52459 
1 1 1 4  9  21  o 213.1112 11.53671 3.176695       0.3382253     3.424963       0.4801829     2.932237       0.4764841     220.0529 15.91031 203.1235 17.14863 16.92944       23.39259 
1 1 1 4  9  22  o 376.4314 11.76039 9.887056       0.6112874     9.904017       0.8638542     9.870045       0.8651291     374.7612 16.69351 374.0923 16.74805 0.6689453      23.64679 
1 1 1 4  9  23  o 193.6611 11.52661 2.624882       0.3068417     2.642951       0.4332084     2.606690       0.4346747     193.0053 16.41082 191.6107 16.59261 1.394531       23.33730 
1 1 1 4  9  24  o 203.2624 11.52167 2.890728       0.3220478     2.999542       0.4555658     2.782031       0.4553232     205.7696 16.16372 197.9140 16.82058 7.855576       23.32804 
1 1 1 4  9  25  o 112.1797 11.92155 0.8879335      0.1818351     0.8434198      0.2564239     0.9329576      0.2578896     107.8846 17.83646 113.8369 16.92110 -5.952278      24.58583 
1 1 1 4  9  26  o 59.99085 13.30475 0.2615743      0.1073250     0.2456422      0.1514252     0.2776569      0.1521382     58.53810 17.43295 61.78658 17.19951 -3.248486      24.48940 
1 1 1 4  9  27  f 203.9222 11.54913 2.910134       0.3238652     2.767707       0.4556971     3.055496       0.4603678     197.3440 16.88560 207.6520 16.18355 -10.30798      23.38869 
1 1 1 4  9  28  o 155.1933 11.70986 1.690146       0.2490879     1.542701       0.3501391     1.841223       0.3544270     146.7097 17.63743 160.8862 16.17309 -14.17657      23.93006 
1 1 1 4  9  29  o 434.1388 11.95622 13.16137       0.7167383     13.46537       1.017391      12.86184       1.009892      436.6842 16.87262 426.6324 17.14286 10.05182       24.05333 
1 1 1 4  9  30  f 157.2419 11.74272 1.735446       0.2531220     1.571001       0.3554978     1.904545       0.3604916     147.9872 17.75125 163.6139 16.16800 -15.62666      24.01064 
1 1 1 4  9  31  o 302.6321 11.66435 6.394289       0.4874316     6.198364       0.6872537     6.592604       0.6914299     295.7115 16.90118 305.1962 16.46802 -9.484741      23.59757 
1 1 1 4  9  32  o 83.85635 12.79775 0.5029445      0.1434911     0.5111573      0.2012976     0.4944604      0.2045969     83.39529 18.00775 81.90505 18.52432 1.490234       25.83465 
1 1 1 4  9  33  o 190.3930 11.65452 2.541080       0.3049210     2.587177       0.4313451     2.495036       0.4311019     190.6799 16.54661 187.1216 16.86595 3.558350       23.62733 
1 1 1 4  9  34  o 206.0997 11.63849 2.976904       0.3298620     2.993139       0.4660135     2.960602       0.4669786     205.1071 16.59656 203.9348 16.73054 1.172318       23.56601 
1 1 1 4  9  35  o 101.2722 12.40084 0.7281323      0.1697889     0.8218786      0.2394662     0.6333585      0.2407746     106.5551 16.83458 92.59904 19.44940 13.95604       25.72319 
1 1 1 4  9  36  o 124.6563 12.06027 1.096914       0.2049967     1.146626       0.2895046     1.046923       0.2903154     126.1439 17.05832 120.1408 18.05882 6.003044       24.84164 
1 1 1 4  9  37  o 301.6518 11.70345 6.363483       0.4874812     5.942221       0.6846200     6.796727       0.6942866     288.8788 17.24173 309.5050 16.30300 -20.62619      23.72899 
1 1 1 4  9  38  o 172.4697 11.82411 2.090712       0.2798913     1.851192       0.3920967     2.339566       0.3996640     160.3440 18.02154 181.1565 16.14656 -20.81250      24.19684 
1 1 1 4  9  39  o 378.7574 11.86521 10.04217       0.6205468     10.04647       0.8774297     10.03786       0.8777416     376.1998 16.89102 376.0302 16.90464 0.1695862      23.89714 
1 1 1 4  9  40  o 129.1967 12.06426 1.179210       0.2127332     1.151030       0.3002628     1.207613       0.3014410     125.9971 17.75048 129.2495 17.32636 -3.252480      24.80489 
1 1 1 4  9  41  o 173.8440 11.90571 2.127123       0.2840728     2.277721       0.4030692     1.978496       0.4004231     178.3799 16.55287 165.6945 17.77929 12.68546       24.29199 
1 1 1 4  9  42  o 150.0348 11.96949 1.587865       0.2459099     1.756904       0.3490105     1.421210       0.3465410     156.4735 16.39683 139.8648 18.38931 16.60864       24.63783 
1 1 1 4  9  43  o 234.1013 17.06480 3.925955       0.5478249     4.092283       0.7768299     3.761403       0.7726699     234.7850 24.31409 224.3120 25.39345 10.47299       35.15682 
1 1 1 4  9  44  o 188.0129 17.64544 2.547716       0.4527381     1.371308       0.6262099     3.836034       0.6553184     129.9497 34.37018 229.1803 20.93928 -99.23061      40.24627 
1 1 1 4  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  46  o 229.7914 16.62405 3.784079       0.5239220     3.773779       0.7421132     3.794315       0.7397678     224.9465 24.27686 225.6748 24.11290 -0.7283630     34.21693 
1 1 1 4  9  47  o 150.6640 16.98516 1.640617       0.3471939     1.719821       0.4926828     1.562481       0.4893469     150.8770 24.48823 143.0548 25.71836 7.822113       35.51207 
1 1 1 4  9  48  o 254.0738 11.79737 4.533846       0.4138884     4.466114       0.5862828     4.601138       0.5843750     249.3102 17.13459 253.2535 16.80630 -3.943314      24.00096 
1 1 1 4  9  49  o 212.5912 11.89379 3.185096       0.3477427     3.401075       0.4950103     2.974660       0.4886171     217.6488 16.59609 202.9818 17.60748 14.66699       24.19615 
1 1 1 4  9  50  o 80.64139 14.22191 0.4730425      0.1525753     0.6076165      0.2179058     0.3436088      0.2137036     90.51063 18.06821 68.28925 20.79476 22.22137       27.54782 
1 1 1 4  9  51  f 139.0120 12.40391 1.370519       0.2355930     1.496905       0.3365340     1.249049       0.3299221     143.6014 17.32172 130.4098 18.87014 13.19157       25.61493 
1 1 1 4  9  52  o 63.43660 15.58763 0.2975640      0.1355624     0.4114746      0.1973118     0.1957213      0.1865674     74.08752 19.14840 55.07110 19.55151 19.01643       27.36645 
1 1 1 4  9  53  o 315.3020 11.94832 6.991914       0.5202016     6.489237       0.7331401     7.501607       0.7382386     299.9788 17.77867 323.4815 16.58333 -23.50272      24.31230 
1 1 1 4  9  54  o 133.6464 12.66341 1.269829       0.2309048     1.246816       0.3277845     1.292498       0.3253268     130.2377 18.76886 132.8707 18.21094 -2.633026      26.15164 
1 1 1 4  9  55  o 171.6763 12.38910 2.086794       0.2917160     2.006740       0.4112598     2.167859       0.4138500     165.9568 18.24802 172.8697 17.58220 -6.912903      25.34017 
1 1 1 4  9  56  o 241.5971 12.00277 4.108771       0.4004158     4.117208       0.5663331     4.100338       0.5662138     238.8496 17.28844 238.3358 17.32341 0.5137939      24.47429 
1 1 1 4  9  57  o 275.0613 12.01525 5.327161       0.4563523     5.442290       0.6472189     5.213331       0.6435559     274.7992 17.14231 268.7415 17.43676 6.057648       24.45198 
1 1 1 4  9  58  o 112.4821 13.31502 0.9064538      0.2027927     0.9973855      0.2889770     0.8182212      0.2846561     116.1793 18.64397 104.3086 20.49444 11.87067       27.70595 
1 1 1 4  9  59  o 274.5729 12.02401 5.310390       0.4558741     5.486031       0.6468285     5.137041       0.6425990     275.8552 17.06506 266.5791 17.55550 9.276123       24.48289 
1 1 1 4  9  60  o 50.92062 15.51945 0.1865648      0.1189921     0.1150275      0.1659384     0.2622876      0.1707239     47.19561 18.12542 60.07071 18.63834 -12.87509      25.99843 
1 1 1 4  9  61  o 238.9306 9.731001 3.994639       0.3210460     4.028700       0.4545287     3.960726       0.4535280     237.9352 13.89495 235.8668 13.98757 2.068314       19.71602 
1 1 1 4  9  62  o 248.0128 9.774954 4.305337       0.3347548     4.338779       0.4745977     4.272227       0.4722406     246.8642 13.98031 244.9365 14.02101 1.927750       19.79994 
1 1 1 4  9  63  o 88.77618 10.78510 0.5610876      0.1294929     0.5293410      0.1853565     0.5913538      0.1809831     84.58697 16.46198 89.95100 15.10669 -5.364029      22.34298 
1 1 1 4  9  64  o 197.8935 9.813050 2.742984       0.2681474     2.385730       0.3772116     3.107939       0.3812562     182.2146 15.12898 209.0244 13.27826 -26.80977      20.12953 
1 1 1 4  9  65  o 102.8995 10.77554 0.7518327      0.1508347     0.6897772      0.2126643     0.8146505      0.2139665     96.74127 16.51275 105.8340 15.06678 -9.092773      22.35349 
1 1 1 4  9  66  o 70.45406 12.15173 0.3600938      0.1139472     0.3193040      0.1599361     0.4021413      0.1623831     65.27529 17.42012 73.39844 16.43140 -8.123146      23.94685 
1 1 1 4  9  67  o 56.82416 13.26847 0.2383152      0.1022212     0.3530483      0.1440013     0.1217758      0.1451304     68.85516 15.51740 45.86888 17.09732 22.98628       23.08913 
1 1 1 4  9  68  o 79.01520 11.46063 0.4495558      0.1213934     0.5384810      0.1701847     0.3574433      0.1732077     85.52518 14.95539 68.74045 18.02597 16.78473       23.42220 
1 1 1 4  9  69  o 53.69672 12.74145 0.2130534      0.9305108E-01 0.2778329      0.1304881     0.1460301      0.1327287     60.92412 15.47978 47.05497 16.51166 13.86915       22.63312 
1 1 1 4  9  70  o 154.7916 11.35672 1.706312       0.2410441     1.871045       0.3044589     1.429628       0.3945762     160.9712 13.83189 136.2703 21.69720 24.70085       25.73110 
1 1 1 4  9  71  o 80.59414 13.59021 0.4780552      0.1458604     0.5474200      0.1797671     0.3443933      0.2495425     85.53217 15.80311 67.54534 22.67417 17.98683       27.63795 
1 1 1 4  9  72  o 45.41951 12.76034 0.1523712      0.8333785E-01 0.6171126E-01  0.1312802     0.2135660      0.1078571     39.24826 15.79391 53.36574 14.33306 -14.11749      21.32801 
1 1 1 4  9  73  o 105.2430 13.29974 0.8112024      0.1889597     0.5809048      0.2783781     1.007977       0.2573211     84.36114 23.18233 115.7811 16.56768 -31.42001      28.49400 
1 1 1 4  9  74  o 68.49525 14.17836 0.3536575      0.1296810     0.2754773      0.1606682     0.4997898      0.2196619     59.77446 17.99262 79.13177 20.07247 -19.35731      26.95623 
1 1 1 4  9  75  o 44.88381 15.43502 0.1412348      0.1157033     0.1856443      0.1503954     0.7683375E-01  0.1811104     50.81384 17.59048 44.48212 18.30638 6.331711       25.38796 
1 1 1 4  9  76  o 75.11150 12.23263 0.4182805      0.1225048     0.3834884      0.1812704     0.4475294      0.1662042     69.27322 18.57120 75.90433 16.34113 -6.631111      24.73706 
1 1 1 4  9  77  o 50.84318 13.27559 0.1969107      0.9420905E-01 0.1475049      0.1422934     0.2354696      0.1257065     46.61240 17.00658 55.08572 15.74076 -8.473324      23.17316 
1 1 1 4  9  78  o 75.02269 15.47477 0.4371393      0.1549856     0.4732983      0.2718671     0.4197302      0.1886410     73.93005 23.60027 71.82106 18.80136 2.108986       30.17390 
1 1 1 4  9  79  o 165.1760 13.05947 2.025084       0.2954297     1.681171       0.4380541     2.312013       0.4001196     140.3142 23.43597 172.4911 17.02100 -32.17697      28.96479 
1 1 1 4  9  80  o 81.64326 13.89739 0.5083414      0.1510590     0.4900655      0.2023618     0.5313422      0.2270173     77.11112 19.10362 79.41542 20.54607 -2.304298      28.05511 
1 1 1 4  9  81  o 35.23814 13.52007 0.7011916E-01  0.9227159E-01 0.3984251E-01  0.1280719     0.1027972      0.1330541     36.37411 15.21806 41.72885 16.17438 -5.354740      22.20811 
1 1 1 4  9  82  o 38.45271 14.29752 0.9403833E-01  0.1013665     0.8898509E-01  0.1392136     0.9974083E-01  0.1478868     41.02883 16.34875 42.52560 16.88018 -1.496773      23.49941 
1 1 1 4  9  83  f 113.9753 12.35894 0.9682834      0.1913883     0.9663625      0.2523375     0.9708849      0.2936675     110.3459 17.11542 107.6992 20.49599 2.646667       26.70249 
1 1 1 4  9  84  o 53.41282 15.48555 0.2252259      0.1208589     0.3137947      0.1624172     0.1153328      0.1809159     61.90154 17.95304 45.83833 18.50735 16.06322       25.78437 
1 1 1 4  9  85  o 131.6035 12.12511 1.285269       0.2178609     1.318136       0.2860702     1.239884       0.3361588     129.7844 16.32407 121.6796 20.75172 8.104752       26.40283 
1 1 1 4  9  86  o 105.5210 14.42163 0.8525661      0.2046304     0.7829400      0.2891664     0.9224091      0.2896164     94.69694 22.45512 104.6716 20.77117 -9.974632      30.58879 
1 1 1 4  9  87  o 157.1678 13.10575 1.849505       0.2818286     1.716215       0.3972286     1.984606       0.3999165     143.6334 20.61980 156.6325 18.87038 -12.99911      27.95116 
1 1 1 4  9  88  o 108.6885 14.36642 0.9049404      0.2103263     1.134550       0.2988627     0.6796323      0.2960498     117.8249 19.01704 86.43039 23.96895 31.39452       30.59671 
1 1 1 4  9  89  o 90.19118 15.33267 0.6370013      0.1841152     0.6143735      0.2597859     0.6598368      0.2609745     83.28277 22.19025 86.75124 21.80976 -3.468475      31.11387 
1 1 1 4  9  90  o 68.47987 16.95231 0.3840475      0.1594429     0.3329172      0.2226842     0.4378350      0.2283970     62.12896 21.41035 70.25490 21.51828 -8.125935      30.35522 
1 1 1 4  9  91  o 53.70185 16.50904 0.2350475      0.1342956     0.1779211      0.1996626     0.2822439      0.1814818     50.13481 19.70438 57.76753 19.33667 -7.632721      27.60742 
1 1 1 4  9  92  o 68.76891 16.60213 0.3941295      0.1558593     0.5762017      0.2211528     0.2144557      0.2196912     80.61891 19.96984 52.53091 20.66174 28.08800       28.73503 
1 1 1 4  9  93  o 43.56465 15.95431 0.1439065      0.1253980     0.1108300      0.1795340     0.1754138      0.1752235     43.68450 18.12501 47.84808 18.55713 -4.163586      25.93999 
1 1 1 4  9  94  o 104.3745 18.28610 0.9584019      0.2539390     1.060395       0.3084862     0.7440186      0.4472460     104.9159 21.99691 73.05582 29.23855 31.86003       36.58903 
1 1 1 4  9  95  o 36.51182 16.41055 0.1030434E-01  0.1728001     -0.7438241E-01 0.2345316     0.1108698      0.2555748     37.65102 17.69048 45.47329 20.23126 -7.822277      26.87484 
1 1 1 4  9  96  o 87.20966 24.66077 0.8996740      0.3102165     1.050903       0.4447351     0.7563683      0.4329279     79.06022 29.83640 67.13510 28.02431 11.92512       40.93376 
1 1 1 4  9  97  o 28.44460 14.00704 -0.2515051     0.1946505     -0.2515051     0.1946505     0.000000       0.000000      28.44460 14.00704 ?        ?        0.000000       14.00704 
1 1 1 4  9  98  o 69.51856 30.17785 1.449947       0.5376402     1.449947       0.5376402     0.000000       0.000000      69.51856 30.17785 ?        ?        0.000000       30.17785 
1 1 1 4  9  99  o 18.25625 9.296118 -0.4141431     0.1296682     -0.4141431     0.1296682     0.000000       0.000000      18.25625 9.296118 ?        ?        0.000000       9.296118 
1 1 1 4  9  100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 0   o 257.6299 23.86394 4.804923       0.8321953     4.804923       0.8321953     0.000000       0.000000      257.6299 23.86394 257.6299 23.86394 -0.000000      0.000000 
1 1 1 4  10 1   o 276.5092 16.50128 5.417501       0.6271641     5.784027       0.8902655     5.056396       0.8836594     282.3903 23.03197 263.0228 24.61696 19.36749       33.71152 
1 1 1 4  10 2   f 120.2923 25.13486 1.086534       0.4040411     0.000000       0.000000      1.086534       0.4040411     ?        ?        120.2923 25.13486 0.000000       25.13486 
1 1 1 4  10 3   o 202.5934 24.13702 3.008075       0.6619309     0.000000       0.000000      3.008075       0.6619309     ?        ?        202.5934 24.13702 0.000000       24.13702 
1 1 1 4  10 4   o 182.1195 16.65539 2.361734       0.4142039     2.296553       0.5828819     2.428224       0.5887072     176.4970 24.58448 181.8045 24.04042 -5.307510      34.38515 
1 1 1 4  10 5   o 341.4238 24.02971 8.477778       1.125646      0.000000       0.000000      8.477778       1.125646      ?        ?        341.4238 24.02971 0.000000       24.02971 
1 1 1 4  10 6   o 104.2749 25.01344 0.8200536      0.3555318     0.000000       0.000000      0.8200536      0.3555318     ?        ?        104.2749 25.01344 0.000000       25.01344 
1 1 1 4  10 7   o 261.3448 16.60801 4.845089       0.5962235     5.897922       0.8555750     3.851098       0.8313227     285.7519 21.84917 227.9118 26.93671 57.84010       34.68390 
1 1 1 4  10 8   o 155.7596 24.63153 1.798286       0.5121483     0.000000       0.000000      1.798286       0.5121483     ?        ?        155.7596 24.63153 0.000000       24.63153 
1 1 1 4  10 9   o 184.1463 13.57850 2.390968       0.3428295     2.222297       0.4200461     2.727505       0.5933256     176.2849 17.48688 193.3540 22.65225 -17.06911      28.61669 
1 1 1 4  10 10  o 195.4428 16.70564 2.719838       0.4465070     3.261284       0.6397371     2.205547       0.6234890     211.8065 22.20398 171.5478 27.23100 40.25865       35.13609 
1 1 1 4  10 11  o 275.0928 13.41596 5.307864       0.5096112     4.846884       0.6193275     6.274404       0.8967859     261.0091 17.28189 294.3763 22.22600 -33.36728      28.15420 
1 1 1 4  10 12  o 240.4702 13.42146 4.068367       0.4438773     4.026529       0.5430429     4.152591       0.7705049     238.0473 16.62526 238.3481 23.72666 -0.3008270     28.97160 
1 1 1 4  10 13  o 226.6394 13.41480 3.615320       0.4179459     3.887470       0.5130885     3.078651       0.7205132     234.1304 15.96598 203.6392 26.23378 30.49118       30.71032 
1 1 1 4  10 14  o 184.7179 11.69701 2.393940       0.2968068     2.666897       0.4177335     2.115653       0.4217923     193.7892 15.74724 171.6849 18.06309 22.10422       23.96353 
1 1 1 4  10 15  o 191.5763 11.67836 2.574411       0.3074560     2.805721       0.4324842     2.338060       0.4371705     198.7332 15.89317 180.6649 17.75353 18.06828       23.82816 
1 1 1 4  10 16  o 321.9706 11.70097 7.247066       0.5202069     7.003314       0.7291048     7.499819       0.7424437     313.9955 16.87815 325.1145 16.59348 -11.11905      23.66888 
1 1 1 4  10 17  o 188.2636 11.65610 2.486990       0.3015200     2.554992       0.4246468     2.417845       0.4282029     189.3661 16.40204 183.9490 17.05222 5.417191       23.66019 
1 1 1 4  10 18  o 118.4792 12.04682 0.9920276      0.1943430     0.9624785      0.2718613     1.022909       0.2779238     115.1899 17.65497 118.8848 17.44948 -3.694893      24.82302 
1 1 1 4  10 19  f 255.4969 11.58606 4.564460       0.4087515     4.556491       0.5769184     4.572492       0.5792123     253.1023 16.59941 253.5309 16.63738 -0.4285736     23.50197 
1 1 1 4  10 20  o 227.6698 11.61521 3.634012       0.3639347     3.565758       0.5137711     3.702751       0.5155966     223.6895 16.75531 228.0824 16.48215 -4.392929      23.50323 
1 1 1 4  10 21  o 106.9949 12.18787 0.8116735      0.1768515     0.8363314      0.2503287     0.7871032      0.2498833     107.2077 17.51506 103.7637 18.09847 3.444008       25.18595 
1 1 1 4  10 22  f 126.1973 11.94159 1.124476       0.2056153     1.247377       0.2919971     1.003597       0.2895858     131.7456 16.40654 117.3289 18.48639 14.41673       24.71682 
1 1 1 4  10 23  o 130.1452 11.91976 1.195590       0.2118275     1.255384       0.3002456     1.136332       0.2988976     131.9957 16.85828 125.1884 17.79162 6.807304       24.51007 
1 1 1 4  10 24  o 254.9951 11.62405 4.551211       0.4092861     4.655738       0.5801181     4.447617       0.5775266     255.6510 16.52192 249.6958 16.84886 5.955292       23.59783 
1 1 1 4  10 25  o 224.9390 13.53607 3.572109       0.4184738     3.240728       0.5078676     4.272895       0.7385495     212.6585 17.44914 241.6706 22.38608 -29.01212      28.38325 
1 1 1 4  10 26  o 127.5642 14.04005 1.159879       0.2432123     1.135354       0.2950914     1.211828       0.4294693     125.1061 17.56611 126.2758 25.50865 -1.169685      30.97192 
1 1 1 4  10 27  o 150.3752 13.78583 1.605859       0.2830645     1.669962       0.3451555     1.474181       0.4946860     152.4187 16.67164 138.9289 26.75760 13.48982       31.52638 
1 1 1 4  10 28  o 142.7261 13.89225 1.449071       0.2703175     1.631485       0.3303945     1.079726       0.4701320     150.7873 16.11797 117.5024 29.12265 33.28486       33.28540 
1 1 1 4  10 29  o 153.7405 17.12328 1.704454       0.3573316     1.880196       0.4999158     1.520867       0.5109515     158.7478 23.51753 140.7059 27.28314 18.04195       36.02005 
1 1 1 4  10 30  o 70.91128 23.53001 0.3581710      0.2688611     0.000000       0.000000      0.3581710      0.2688611     ?        ?        70.91128 23.53001 0.000000       23.53001 
1 1 1 4  10 31  o 243.8843 16.90037 4.261768       0.5656292     0.000000       0.000000      4.261768       0.5656292     ?        ?        243.8843 16.90037 0.000000       16.90037 
1 1 1 4  10 32  o 182.4804 24.37282 2.493837       0.5987808     0.000000       0.000000      2.493837       0.5987808     ?        ?        182.4804 24.37282 0.000000       24.37282 
1 1 1 4  10 33  o 176.9622 24.44610 2.350033       0.5813980     0.000000       0.000000      2.350033       0.5813980     ?        ?        176.9622 24.44610 0.000000       24.44610 
1 1 1 4  10 34  o 201.8305 16.68135 2.925221       0.4607295     3.482743       0.6596686     2.394261       0.6437625     217.1839 22.31409 176.9222 27.22427 40.26167       35.20056 
1 1 1 4  10 35  o 66.17820 15.92280 0.3237686      0.1437362     0.2756208      0.1788987     0.4114520      0.2414224     61.68892 19.06930 74.24888 21.98939 -12.55996      29.10621 
1 1 1 4  10 36  o 245.5340 13.60391 4.270044       0.4594238     4.056530       0.5636984     4.692468       0.7928799     237.4536 17.31140 251.6666 23.07311 -14.21309      28.84533 
1 1 1 4  10 37  o 104.5991 12.69322 0.7811254      0.1795760     0.8038567      0.2546699     0.7586462      0.2532535     104.3794 18.33874 101.1725 18.82089 3.206902       26.27804 
1 1 1 4  10 38  o 113.6813 12.53703 0.9202300      0.1935253     1.133515       0.2758068     0.7133806      0.2716138     125.0891 16.35989 97.36288 20.83284 27.72618       26.48874 
1 1 1 4  10 39  f 214.9987 11.85029 3.257540       0.3504471     3.457942       0.4983108     3.061430       0.4929468     219.4494 16.56688 205.9567 17.49923 13.49265       24.09740 
1 1 1 4  10 40  o 215.0590 11.87453 3.260131       0.3512577     2.959929       0.4951154     3.564338       0.4984078     202.2482 17.91435 222.9171 16.30524 -20.66891      24.22364 
1 1 1 4  10 41  f 189.0986 11.96619 2.523870       0.3108401     1.930808       0.4348183     3.143723       0.4445311     162.1471 19.83400 209.6569 15.46435 -47.50972      25.15022 
1 1 1 4  10 42  o 204.7921 11.93870 2.958694       0.3361404     2.734594       0.4733953     3.186580       0.4773785     194.3178 17.84233 210.5339 16.55465 -16.21606      24.33938 
1 1 1 4  10 43  o 300.7148 11.90003 6.359514       0.4941293     6.508245       0.6991462     6.211075       0.6984631     301.0177 16.88868 293.7685 17.29499 7.249207       24.17321 
1 1 1 4  10 44  o 299.7221 11.85997 6.318140       0.4908406     6.406754       0.6953451     6.230130       0.6929678     298.5609 16.93642 294.2727 17.12803 4.288177       24.08759 
1 1 1 4  10 45  o 270.2740 11.82397 5.138007       0.4412711     5.377378       0.6263416     4.902104       0.6217864     273.5789 16.65960 260.7245 17.37058 12.85437       24.06822 
1 1 1 4  10 46  o 124.4529 12.48129 1.102084       0.2115976     1.056824       0.2996087     1.147124       0.2988811     119.6772 18.74576 125.1589 17.79529 -5.481636      25.84716 
1 1 1 4  10 47  o 121.0609 12.57645 1.044045       0.2071642     1.046419       0.2937773     1.041698       0.2921780     119.1707 18.44915 118.9208 18.38626 0.2499771      26.04661 
1 1 1 4  10 48  o 194.5457 12.05191 2.674968       0.3221603     2.734342       0.4571426     2.616388       0.4540797     194.4111 17.20687 189.9925 17.50532 4.418564       24.54613 
1 1 1 4  10 49  o 228.2420 12.04502 3.678702       0.3782688     2.624495       0.5256225     4.811231       0.5447983     188.6220 20.51169 259.4012 15.27732 -70.77925      25.57589 
1 1 1 4  10 50  o 136.6965 12.59546 1.329100       0.2350696     0.9605420      0.3273766     1.721368       0.3377428     112.6449 21.83570 154.3875 16.07886 -41.74261      27.11692 
1 1 1 4  10 51  o 131.7970 12.52378 1.236041       0.2251793     1.387542       0.3168139     1.081366       0.3201151     138.0802 16.97374 120.4851 19.93865 17.59511       26.18506 
1 1 1 4  10 52  o 222.6910 12.04693 3.504038       0.3690616     3.471556       0.5205594     3.536865       0.5233153     218.9956 17.35676 221.1021 17.27816 -2.106491      24.49065 
1 1 1 4  10 53  o 172.7848 12.22878 2.115308       0.2898760     2.383816       0.4117091     1.851349       0.4082066     181.5834 16.60390 158.7342 19.00163 22.84915       25.23393 
1 1 1 4  10 54  o 124.3442 12.85035 1.103894       0.2174544     1.505087       0.3105249     0.7178280      0.3046143     144.2577 15.85036 96.49313 23.15707 47.76454       28.06214 
1 1 1 4  10 55  o 110.4825 13.39942 0.8767858      0.2002352     1.077982       0.2842055     0.6784799      0.2821563     121.1518 17.49581 94.05787 22.09963 27.09395       28.18682 
1 1 1 4  10 56  o 286.5454 12.07629 5.795185       0.4778207     6.108226       0.6804780     5.490712       0.6711007     290.6385 17.03032 274.9591 17.77098 15.67938       24.61380 
1 1 1 4  10 57  o 108.4355 14.34588 0.8510036      0.2095273     1.071787       0.3024632     0.6472981      0.2905297     120.0798 18.86353 91.39512 23.03053 28.68465       29.76975 
1 1 1 4  10 58  o 115.2994 13.35388 0.9558395      0.2086692     0.8523064      0.2972653     1.056413       0.2929868     105.7890 21.09007 119.3087 18.37406 -13.51967      27.97136 
1 1 1 4  10 59  o 73.16564 15.78107 0.3986597      0.1547487     0.3027048      0.2210276     0.4909204      0.2167310     64.53101 21.33069 80.21786 19.70818 -15.68685      29.04154 
1 1 1 4  10 60  o 120.5052 13.53003 1.046880       0.2212446     0.8444782      0.3104959     1.255639       0.3153345     104.4533 22.21117 130.1203 18.03542 -25.66703      28.61140 
1 1 1 4  10 61  o 118.4911 13.40267 1.013449       0.2154325     0.9321845      0.3011455     1.098630       0.3083160     110.5083 20.48977 120.8873 19.10531 -10.37899      28.01506 
1 1 1 4  10 62  o 80.50305 15.47022 0.4827518      0.1657194     0.4655370      0.2335735     0.5002010      0.2351598     77.32310 21.22945 80.14512 20.99751 -2.822021      29.85943 
1 1 1 4  10 63  o 228.4919 12.56215 3.739251       0.3948224     4.507870       0.5654002     3.007742       0.5515826     247.6662 16.62946 199.1244 20.34661 48.54175       26.27781 
1 1 1 4  10 64  o 157.4321 13.00285 1.790024       0.2801338     2.266400       0.3974546     1.319763       0.3948958     174.9025 16.65839 129.1497 22.98626 45.75282       28.38785 
1 1 1 4  10 65  o 61.14690 19.36603 0.2842104      0.1833420     0.7410384E-01  0.3623364     0.3565185      0.2125621     57.71511 24.91385 67.60905 20.76745 -9.893944      32.43435 
1 1 1 4  10 66  o 160.7119 19.14564 1.981646       0.4165078     2.404819       0.6521688     1.690152       0.5412726     166.9098 29.36942 139.7013 29.00821 27.20850       41.28001 
1 1 1 4  10 67  o 116.9651 12.58414 0.9988303      0.2000461     0.8398604      0.2374316     1.387800       0.3713974     104.8720 16.97630 132.2968 21.03481 -27.42483      27.03069 
1 1 1 4  10 68  o 46.60902 14.02740 0.1621591      0.9766117E-01 0.1417093      0.1383791     0.1824528      0.1378500     46.16555 16.78206 49.99105 16.85207 -3.825500      23.78298 
1 1 1 4  10 69  o 128.0093 11.36726 1.189994       0.1988350     1.261857       0.3015560     1.134720       0.2644700     127.7231 17.56333 122.0768 16.08072 5.646324       23.81302 
1 1 1 4  10 70  f 71.42007 13.22977 0.3846492      0.1256652     0.3505555      0.1787899     0.4179370      0.1766640     65.96362 18.74578 72.37709 17.80049 -6.413467      25.85076 
1 1 1 4  10 71  o 142.5537 11.65348 1.485538       0.2273829     1.187206       0.3666985     1.671906       0.2898305     118.1087 23.31244 149.3057 14.23043 -31.19709      27.31254 
1 1 1 4  10 72  o 73.24754 13.69075 0.4087144      0.1333795     0.4449468      0.2266007     0.3895064      0.1649885     72.54933 21.25314 69.76349 17.22925 2.785843       27.35951 
1 1 1 4  10 73  o 47.21729 12.97961 0.1702814      0.8724876E-01 0.2961466      0.1264339     0.5585313E-01  0.1205529     61.51351 15.01637 36.88154 15.02846 24.63197       21.24491 
1 1 1 4  10 74  o 81.66726 12.44846 0.5001529      0.1359393     0.5509858      0.1923336     0.4494112      0.1921611     82.93021 17.35321 73.86874 18.79389 9.061470       25.58015 
1 1 1 4  10 75  o 126.3537 10.77043 1.166174       0.1861200     1.262214       0.2605726     1.066139       0.2659361     128.3380 14.98622 116.1882 17.08618 12.14985       22.72717 
1 1 1 4  10 76  o 43.16156 13.99478 0.1390381      0.9531672E-01 0.8545442E-01  0.1342604     0.1934889      0.1353424     40.33643 16.06081 50.13611 16.69736 -9.799683      23.16789 
1 1 1 4  10 77  o 84.06983 12.21187 0.5296667      0.1376156     0.6553410      0.1938487     0.4019776      0.1953963     91.34134 15.94980 69.15818 19.57733 22.18316       25.25209 
1 1 1 4  10 78  o 152.8730 10.63607 1.704262       0.2231191     1.871949       0.3158466     1.537228       0.3152304     156.4845 14.79273 139.9652 16.63644 16.51927       22.26198 
1 1 1 4  10 79  o 47.73962 14.27523 0.1758615      0.1013833     0.2152567      0.1448596     0.1380381      0.1419402     52.41286 17.26581 45.19559 16.89613 7.217266       24.15756 
1 1 1 4  10 80  o 141.1300 10.70188 1.453741       0.2070012     1.479034       0.2934264     1.428683       0.2920660     138.2755 15.64310 135.6557 15.89333 2.619781       22.30033 
1 1 1 4  10 81  o 60.22143 14.01344 0.2822256      0.1143396     0.3094569      0.1624227     0.2554731      0.1609882     61.51182 17.98602 56.35700 18.17883 5.154816       25.57277 
1 1 1 4  10 82  o 49.12777 14.11188 0.1874969      0.1007866     0.1422749      0.1436149     0.2313824      0.1414767     45.58429 17.00455 53.91326 17.00515 -8.328968      24.04848 
1 1 1 4  10 83  f 85.79723 12.16820 0.5529015      0.1401183     0.6560583      0.1979846     0.4493841      0.1983301     90.82627 16.38939 72.93726 19.36733 17.88902       25.37135 
1 1 1 4  10 84  o 41.21286 14.49048 0.1218192      0.1022472     0.3551667E-01  0.1430040     0.2120836      0.1462495     37.26404 15.85898 51.71904 17.35827 -14.45501      23.51206 
1 1 1 4  10 85  o 21.46203 9.684498 -0.2589486E-01 0.6087842E-01 -0.8173785E-01 0.9127074E-01 0.1886224E-01  0.8171055E-01 23.50188 11.04033 28.76835 12.10251 -5.266470      16.38169 
1 1 1 4  10 86  o 46.76727 15.22773 0.1731695      0.1128007     0.1366176      0.1513860     0.2187941      0.1691339     44.61752 17.26423 51.86884 18.59414 -7.251320      25.37313 
1 1 1 4  10 87  o 87.86843 13.49432 0.6071408      0.1584929     0.5190115      0.2090537     0.7262689      0.2430550     75.83592 19.76356 89.98556 20.07167 -14.14964      28.16860 
1 1 1 4  10 88  o 35.01473 14.69958 0.4965022E-01  0.1201345     0.1305773      0.1371809     -0.2166247     0.2488353     42.52609 16.44009 35.49051 17.09872 7.035580       23.72009 
1 1 1 4  10 89  o 61.82112 19.55072 0.3674368      0.1869087     0.3562780      0.2299923     0.3891405      0.3207529     59.09671 21.61217 59.23298 24.36785 -0.1362762     32.57112 
1 1 1 4  10 90  f 49.94635 18.79241 0.2347644      0.1761388     0.2179057      0.2209045     0.2641918      0.2918556     48.94641 20.18938 51.77928 22.35567 -2.832863      30.12287 
1 1 1 4  10 91  o 63.89333 23.44226 0.5238864      0.2709062     0.5238864      0.2709062     0.000000       0.000000      63.89333 23.44226 ?        ?        0.000000       23.44226 
1 1 1 4  10 92  o 58.09308 22.77323 0.4769543      0.2660722     0.4769543      0.2660722     0.000000       0.000000      58.09308 22.77323 ?        ?        0.000000       22.77323 
1 1 1 4  10 93  o 55.57399 25.01503 0.7338821      0.4032494     0.7338821      0.4032494     0.000000       0.000000      55.57399 25.01503 ?        ?        0.000000       25.01503 
1 1 1 4  10 94  o 55.33531 25.68606 1.148416       0.4704572     1.148416       0.4704572     0.000000       0.000000      55.33531 25.68606 ?        ?        0.000000       25.68606 
1 1 1 4  10 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 0   o 48.15411 25.40392 0.2419707      0.2251920     0.000000       0.000000      0.2419707      0.2251920     48.15411 25.40392 48.15411 25.40392 0.000000       0.000000 
1 1 1 4  11 1   o 99.39353 25.53198 0.7623793      0.3522672     0.000000       0.000000      0.7623793      0.3522672     ?        ?        99.39353 25.53198 0.000000       25.53198 
1 1 1 4  11 2   o 160.7009 17.12937 1.864660       0.3742417     2.081863       0.5293134     1.647550       0.5292019     166.7901 23.64495 146.2610 27.20449 20.52911       36.04397 
1 1 1 4  11 3   o 87.30488 25.14550 0.5821711      0.3196166     0.000000       0.000000      0.5821711      0.3196166     ?        ?        87.30488 25.14550 0.000000       25.14550 
1 1 1 4  11 4   o 139.9877 25.31095 1.492463       0.4712476     1.492463       0.4712476     0.000000       0.000000      139.9877 25.31095 ?        ?        0.000000       25.31095 
1 1 1 4  11 5   o 95.34344 25.72822 0.7013729      0.3465615     0.000000       0.000000      0.7013729      0.3465615     ?        ?        95.34344 25.72822 0.000000       25.72822 
1 1 1 4  11 6   o 81.93432 24.44765 0.5071512      0.2975909     0.000000       0.000000      0.5071512      0.2975909     ?        ?        81.93432 24.44765 0.000000       24.44765 
1 1 1 4  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 11  f 143.0916 25.39535 1.560282       0.4833945     1.560282       0.4833945     0.000000       0.000000      143.0916 25.39535 ?        ?        0.000000       25.39535 
1 1 1 4  11 12  o 112.0691 25.76205 0.9702563      0.3903171     0.9702563      0.3903171     0.000000       0.000000      112.0691 25.76205 ?        ?        0.000000       25.76205 
1 1 1 4  11 13  o 152.1884 25.44365 1.761970       0.5158096     1.761970       0.5158096     0.000000       0.000000      152.1884 25.44365 ?        ?        0.000000       25.44365 
1 1 1 4  11 14  o 329.9942 24.46991 8.111231       1.107061      8.111231       1.107061      0.000000       0.000000      329.9942 24.46991 ?        ?        0.000000       24.46991 
1 1 1 4  11 15  o 223.7190 16.78673 3.594551       0.5147887     3.594551       0.5147887     0.000000       0.000000      223.7190 16.78673 ?        ?        0.000000       16.78673 
1 1 1 4  11 16  o 142.8860 17.37154 1.481409       0.3356898     1.481409       0.3356898     0.000000       0.000000      142.8860 17.37154 ?        ?        0.000000       17.37154 
1 1 1 4  11 17  o 204.8495 16.82823 3.017881       0.4717977     3.017881       0.4717977     0.000000       0.000000      204.8495 16.82823 ?        ?        0.000000       16.82823 
1 1 1 4  11 18  o 252.6282 13.59490 4.520775       0.4724924     4.703850       0.5768400     4.147501       0.8236685     256.2555 16.38793 234.3599 25.88455 21.89558       30.63616 
1 1 1 4  11 19  o 273.4250 13.65613 5.283046       0.5155894     4.285127       0.6174389     7.581860       0.9371265     243.3102 18.51688 321.7988 21.20887 -78.48856      28.15477 
1 1 1 4  11 20  o 235.3317 13.62673 3.925498       0.4409074     3.522790       0.5347965     4.780076       0.7790574     220.9352 17.67822 254.3676 22.40931 -33.43243      28.54289 
1 1 1 4  11 21  o 87.94495 15.48121 0.5649570      0.1811322     0.7995304      0.2208532     0.8296415E-01  0.3165807     104.9281 15.72772 57.32296 23.94956 47.60513       28.65209 
1 1 1 4  11 22  o 255.7425 13.65896 4.635382       0.4806006     4.981045       0.5906225     3.957955       0.8268270     263.7068 16.29991 228.0981 26.76000 35.60866       31.33344 
1 1 1 4  11 23  o 175.8767 11.87630 2.183619       0.2867318     2.353097       0.4075430     2.017498       0.4034874     180.8060 16.50584 166.7565 17.79799 14.04945       24.27367 
1 1 1 4  11 24  o 98.36652 12.72585 0.6925331      0.1687988     0.6844268      0.2399441     0.7004757      0.2375096     95.93119 18.78614 97.21429 18.36656 -1.283096      26.27260 
1 1 1 4  11 25  o 200.6449 11.79604 2.838817       0.3253776     3.199171       0.4643631     2.491240       0.4560562     211.2184 16.04149 185.3178 18.05145 25.90063       24.14921 
1 1 1 4  11 26  o 128.7709 12.17015 1.176650       0.2138318     1.245641       0.3021267     1.107406       0.3026817     130.8609 17.13159 122.7900 18.42017 8.070915       25.15540 
1 1 1 4  11 27  o 114.1120 12.43878 0.9273964      0.1928211     0.6814035      0.2700159     1.183382       0.2754456     94.91953 21.14326 127.9198 15.93991 -33.00031      26.47864 
1 1 1 4  11 28  o 123.6833 12.26779 1.087041       0.2067512     0.9272941      0.2901063     1.251919       0.2947293     111.7205 19.51585 131.3567 16.62117 -19.63625      25.63457 
1 1 1 4  11 29  o 153.3806 11.98985 1.664750       0.2519152     1.625264       0.3549611     1.704820       0.3575771     149.5122 17.52607 153.3131 17.18670 -3.800903      24.54680 
1 1 1 4  11 30  f 151.7255 12.01654 1.629600       0.2496943     1.604149       0.3516652     1.655477       0.3545953     148.5256 17.48174 150.9780 17.32267 -2.452393      24.61069 
1 1 1 4  11 31  o 154.1051 12.06775 1.681372       0.2547403     1.627326       0.3584932     1.736495       0.3620473     149.4899 17.71168 154.6827 17.24413 -5.192764      24.71970 
1 1 1 4  11 32  o 183.4174 11.89938 2.376611       0.2997445     2.392371       0.4233463     2.360769       0.4244614     181.8910 17.05484 180.5929 17.23061 1.298080       24.24379 
1 1 1 4  11 33  o 319.9801 11.90991 7.205758       0.5262226     7.973962       0.7515239     6.466822       0.7370689     333.8470 16.30262 299.0927 17.92968 34.75430       24.23322 
1 1 1 4  11 34  o 197.1852 11.91253 2.746088       0.3228290     2.879664       0.4565088     2.612466       0.4565895     199.8236 16.69792 189.8094 17.62195 10.01416       24.27661 
1 1 1 4  11 35  o 172.5908 12.09922 2.107703       0.2865222     1.362677       0.3980417     2.908870       0.4127665     134.5728 22.19452 201.6828 14.92772 -67.10995      26.74759 
1 1 1 4  11 36  o 57.95525 14.62741 0.2478310      0.1170647     0.1141413      0.1626731     0.3914310      0.1685947     46.87759 17.95970 72.45770 17.12226 -25.58012      24.81376 
1 1 1 4  11 37  o 58.80354 14.13072 0.2548622      0.1133110     0.1791644      0.1589609     0.3330583      0.1615627     52.02463 18.08021 66.83190 17.35354 -14.80727      25.06071 
1 1 1 4  11 38  o 194.4368 11.94757 2.671798       0.3192183     2.763601       0.4519717     2.580425       0.4509158     195.5465 16.90501 188.6046 17.51427 6.941895       24.34192 
1 1 1 4  11 39  o 160.2339 12.18209 1.819473       0.2675158     2.119972       0.3802495     1.524982       0.3764283     171.3784 16.26326 143.7374 19.46680 27.64105       25.36631 
1 1 1 4  11 40  f 114.0126 12.78186 0.9288776      0.1977623     0.9746425      0.2802042     0.8834548      0.2791550     114.9044 18.27215 108.9037 19.26875 6.000732       26.55478 
1 1 1 4  11 41  f 204.0328 11.98013 2.942757       0.3360392     3.336124       0.4796744     2.563634       0.4709094     215.2310 16.25998 187.4109 18.43577 27.82010       24.58180 
1 1 1 4  11 42  o 168.4483 12.19019 2.010989       0.2816244     2.085346       0.4008809     1.938534       0.3957233     169.3454 17.39061 162.9897 17.87643 6.355759       24.93993 
1 1 1 4  11 43  o 159.0055 12.25273 1.794035       0.2669459     1.648798       0.3792574     1.936638       0.3758034     149.7179 18.75687 163.3103 16.91017 -13.59238      25.25418 
1 1 1 4  11 44  o 119.2228 12.83113 1.016284       0.2079070     0.9106106      0.2930720     1.123342       0.2949871     110.1497 20.00559 123.5667 17.80252 -13.41702      26.77972 
1 1 1 4  11 45  o 30.89227 12.37167 0.3424785E-01  0.8013017E-01 -0.1278171     0.1074445     0.2373513      0.1202813     24.66701 11.70479 56.65193 15.10135 -31.98492      19.10636 
1 1 1 4  11 46  o 92.50837 13.45613 0.6191363      0.1668472     0.6659383      0.2349813     0.5715483      0.2369460     94.20449 18.72402 86.66598 20.17709 7.538513       27.52642 
1 1 1 4  11 47  o 89.31801 13.97669 0.5803715      0.1667261     0.5970568      0.2337142     0.5630811      0.2379146     88.72937 19.59867 85.88666 20.36963 2.842712       28.26711 
1 1 1 4  11 48  o 192.5831 12.25711 2.634665       0.3242497     2.556945       0.4555647     2.714461       0.4616117     186.8007 17.88018 192.7178 17.53863 -5.917068      25.04605 
1 1 1 4  11 49  o 94.04340 13.87562 0.6430374      0.1747719     0.5899966      0.2445988     0.6983635      0.2498132     87.68645 20.55857 95.96594 19.51671 -8.279488      28.34708 
1 1 1 4  11 50  o 170.3153 12.32793 2.067738       0.2879619     2.100644       0.4056605     2.034315       0.4088373     168.9566 17.64847 165.9626 18.13548 2.994003       25.30542 
1 1 1 4  11 51  o 68.67493 15.53200 0.3529578      0.1438372     0.3121343      0.2007029     0.3960663      0.2062434     64.57443 20.23709 71.86597 20.03290 -7.291542      28.47554 
1 1 1 4  11 52  o 93.34495 14.09830 0.6379594      0.1760545     0.7486323      0.2507665     0.5303876      0.2472285     99.20013 18.99891 82.34706 21.50795 16.85307       28.69757 
1 1 1 4  11 53  o 87.29984 14.21792 0.5614107      0.1654916     0.4932244      0.2317494     0.6323616      0.2364009     79.39034 20.86639 90.57689 19.47993 -11.18655      28.54599 
1 1 1 4  11 54  o 78.50372 15.73631 0.4634542      0.1646410     0.3985727      0.2285326     0.5334656      0.2373953     71.42107 21.44978 82.34280 20.85607 -10.92172      29.91770 
1 1 1 4  11 55  o 81.63333 17.97601 0.5127912      0.1971465     0.4875770      0.2263550     0.5920159      0.4012335     78.59441 20.60522 84.28365 28.74905 -5.689240      35.37065 
1 1 1 4  11 56  o 36.13706 16.47545 -0.8942609E-01 0.1818089     0.1305800      0.2571872     -0.3091911     0.2570463     53.64038 21.91468 36.77212 17.62827 16.86826       28.12488 
1 1 1 4  11 57  o 67.59839 23.18467 0.3562056      0.2609712     0.8887232      0.3697638     -0.1723287     0.3683783     102.2243 26.10408 49.51911 22.89521 52.70524       34.72194 
1 1 1 4  11 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 59  o 42.38579 16.65198 0.9363473E-01  0.1425398     0.7619060E-01  0.1975157     0.1125931      0.2059097     45.72623 18.99479 48.53550 19.69245 -2.809273      27.36046 
1 1 1 4  11 60  o 167.3960 14.91585 2.095107       0.3411590     3.347293       0.5796276     1.431374       0.4219985     204.8993 20.77381 130.2399 24.36099 74.65936       32.01576 
1 1 1 4  11 61  o 93.48135 15.36720 0.6675610      0.1914670     0.9243060      0.2732054     0.4197518      0.2684089     107.7785 19.05477 70.66149 23.51324 37.11697       30.26477 
1 1 1 4  11 62  o 105.7687 14.62356 0.8469151      0.2078607     0.8064194      0.2927384     0.8880935      0.2951959     97.86308 22.17619 103.5255 21.35903 -5.662384      30.78947 
1 1 1 4  11 63  o 134.9439 13.81611 1.363343       0.2538107     1.373032       0.3586049     1.353618       0.3592811     129.5302 20.75015 128.3661 20.99567 1.164063       29.51927 
1 1 1 4  11 64  o 80.83884 16.09855 0.5120627      0.1733841     0.5438188      0.2422015     0.4786825      0.2483172     79.95535 21.48010 74.53795 22.35292 5.417397       31.00077 
1 1 1 4  11 65  o 119.9833 14.13313 1.088741       0.2296606     0.8554602      0.3189434     1.339943       0.3309684     98.66135 23.70669 128.8611 19.18572 -30.19976      30.49753 
1 1 1 4  11 66  o 53.05031 16.93093 0.2205001      0.1399278     0.2973037      0.1925265     0.1345034      0.2037234     60.34686 19.90606 48.70282 19.64794 11.64405       27.96950 
1 1 1 4  11 67  o 53.61982 17.11672 0.2266282      0.1430091     0.2672569      0.2005887     0.1846290      0.2039439     57.85140 20.29848 51.89110 20.04956 5.960297       28.53092 
1 1 1 4  11 68  f 40.40754 15.78896 0.9280255E-01  0.1275790     0.2080783      0.1813000     -0.2027172E-01 0.1795604     52.68576 19.20050 38.04818 16.94071 14.63758       25.60560 
1 1 1 4  11 69  o 85.94928 15.93046 0.5812063      0.1821017     0.6280786      0.2542452     0.5318303      0.2609470     85.25486 21.57802 77.39930 22.84501 7.855560       31.42460 
1 1 1 4  11 70  o 90.40506 15.98333 0.6423818      0.1922266     0.5998285      0.2689053     0.6868511      0.2748926     82.20577 22.86021 88.49351 22.45863 -6.287735      32.04652 
1 1 1 4  11 71  o 139.2198 13.93258 1.467071       0.2642413     1.796419       0.3726420     1.133979       0.3747543     149.5091 18.44122 112.0824 24.86477 37.42670       30.95699 
1 1 1 4  11 72  o 85.47272 12.56141 0.5491968      0.1438307     0.6456845      0.2041432     0.4540883      0.2026792     89.94712 17.06074 73.55666 19.60077 16.39046       25.98575 
1 1 1 4  11 73  o 152.0330 10.51493 1.682559       0.2193847     1.844141       0.3119179     1.524374       0.3086219     155.4942 14.70183 139.8069 16.29232 15.68732       21.94501 
1 1 1 4  11 74  o 128.1824 10.89291 1.203302       0.1909746     1.141821       0.2695501     1.265268       0.2706107     120.4595 16.65060 127.7310 15.67178 -7.271454      22.86586 
1 1 1 4  11 75  o 59.32988 14.23688 0.2754233      0.1151458     0.3059323      0.1635991     0.2454736      0.1620928     61.03507 18.10734 55.33187 18.26574 5.703201       25.71989 
1 1 1 4  11 76  o 102.6314 11.23007 0.7793339      0.1565510     0.8381469      0.2213618     0.7204841      0.2214312     103.0945 16.07418 94.26991 17.65987 8.824585       23.87992 
1 1 1 4  11 77  o 45.65825 14.50583 0.1606296      0.1028027     0.7918896E-01  0.1433375     0.2468959      0.1475229     40.27844 16.39705 55.09778 17.36321 -14.81934      23.88189 
1 1 1 4  11 78  o 69.22069 12.77335 0.3690335      0.1175918     0.3571285      0.1650910     0.3812937      0.1675358     65.18764 17.82748 67.42218 17.75156 -2.234543      25.15824 
1 1 1 4  11 79  o 97.02524 11.52255 0.7091847      0.1513552     0.7327485      0.2126676     0.6849988      0.2154568     94.38775 16.93976 90.35305 17.90240 4.034698       24.64653 
1 1 1 4  11 80  o 32.33872 13.24956 0.4458210E-01  0.9434725E-01 0.8408775E-02  0.1335845     0.8058552E-01  0.1332704     33.96212 14.88648 38.81340 15.80685 -4.851273      21.71321 
1 1 1 4  11 81  o 60.83078 16.03707 0.3146640      0.1366206     0.2731774      0.1684919     0.3942945      0.2334343     55.38164 18.63133 63.33693 21.91567 -7.955288      28.76496 
1 1 1 4  11 82  o 25.40330 11.48078 -0.2638259E-01 0.8594287E-01 -0.4277905E-01 0.1021850     0.1325192E-01  0.1588725     26.74710 12.25389 35.90855 15.96460 -9.161459      20.12526 
1 1 1 4  11 83  o 62.18929 17.70531 0.3596534      0.1593442     0.3144736      0.2191917     0.4102899      0.2320512     55.45260 20.94171 61.72373 21.81651 -6.271126      30.24095 
1 1 1 4  11 84  o 29.99583 13.99696 -0.6080906E-01 0.1426465     -0.6080906E-01 0.1426465     0.000000       0.000000      29.99583 13.99696 ?        ?        0.000000       13.99696 
1 1 1 4  11 85  o 57.97826 21.66564 0.4135721      0.2333368     0.4135721      0.2333368     0.000000       0.000000      57.97826 21.66564 ?        ?        0.000000       21.66564 
1 1 1 4  11 86  o 15.38468 7.790886 -0.2582889     0.8270030E-01 -0.2582889     0.8270030E-01 0.000000       0.000000      15.38468 7.790886 ?        ?        0.000000       7.790886 
1 1 1 4  11 87  o 57.41466 25.63705 0.9030812      0.4144159     0.9030812      0.4144159     0.000000       0.000000      57.41466 25.63705 ?        ?        0.000000       25.63705 
1 1 1 4  11 88  o 32.26039 15.54807 0.3690904E-02  0.2061854     0.3690904E-02  0.2061854     0.000000       0.000000      32.26039 15.54807 ?        ?        0.000000       15.54807 
1 1 1 4  11 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 2   o 77.44184 24.28322 0.4503665      0.2889363     0.4503665      0.2889363     0.000000       0.000000      77.44184 24.28322 ?        ?        0.000000       24.28322 
1 1 1 4  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 5   o 80.22803 24.85140 0.4876401      0.3036583     0.000000       0.000000      0.4876401      0.3036583     ?        ?        80.22803 24.85140 0.000000       24.85140 
1 1 1 4  12 6   o 65.42046 22.43059 0.2984524      0.2442618     0.000000       0.000000      0.2984524      0.2442618     ?        ?        65.42046 22.43059 0.000000       22.43059 
1 1 1 4  12 7   o 50.55404 19.51944 0.1308856      0.1931977     0.000000       0.000000      0.1308856      0.1931977     ?        ?        50.55404 19.51944 0.000000       19.51944 
1 1 1 4  12 8   o 59.28310 21.41722 0.2253385      0.2248695     0.000000       0.000000      0.2253385      0.2248695     ?        ?        59.28310 21.41722 0.000000       21.41722 
1 1 1 4  12 9   o 45.39112 18.27803 0.7716177E-01  0.1759517     0.000000       0.000000      0.7716177E-01  0.1759517     ?        ?        45.39112 18.27803 0.000000       18.27803 
1 1 1 4  12 10  o 114.7677 26.26655 1.029285       0.4072578     0.000000       0.000000      1.029285       0.4072578     ?        ?        114.7677 26.26655 0.000000       26.26655 
1 1 1 4  12 11  o 169.8626 17.23235 2.092542       0.3985898     1.794533       0.5589951     2.400779       0.5685075     151.6246 27.72087 178.4906 23.64888 -26.86600      36.43784 
1 1 1 4  12 12  o 123.6628 26.34674 1.192196       0.4361183     0.000000       0.000000      1.192196       0.4361183     ?        ?        123.6628 26.34674 0.000000       26.34674 
1 1 1 4  12 13  o 97.01735 25.84505 0.7352405      0.3524495     0.000000       0.000000      0.7352405      0.3524495     ?        ?        97.01735 25.84505 0.000000       25.84505 
1 1 1 4  12 14  o 88.60863 25.55585 0.6083792      0.3299308     0.000000       0.000000      0.6083792      0.3299308     ?        ?        88.60863 25.55585 0.000000       25.55585 
1 1 1 4  12 15  f 135.6004 17.93333 1.346075       0.3275453     1.810987       0.4650483     0.8884079      0.4614112     155.3933 22.31366 105.1738 30.18966 50.21953       37.54085 
1 1 1 4  12 16  o 71.61933 19.28337 0.3853613      0.1949390     0.4839615      0.2728950     0.2826227      0.2785631     79.71853 23.31474 65.69101 23.82126 14.02752       33.33212 
1 1 1 4  12 17  o 56.20441 18.35786 0.2228153      0.1638925     0.3800244      0.2292069     0.5834613E-01  0.2344396     71.31001 21.49606 49.49627 20.63863 21.81373       29.79990 
1 1 1 4  12 18  o 81.21748 19.59229 0.4978999      0.2171863     0.4707134      0.3039173     0.5262738      0.3104835     78.97555 24.92534 82.88913 25.02590 -3.913582      35.32093 
1 1 1 4  12 19  o 85.74801 19.54639 0.5543324      0.2262890     0.4811153      0.3139890     0.6334588      0.3264143     79.79996 25.35096 90.30241 25.21286 -10.50246      35.75415 
1 1 1 4  12 20  o 38.89040 14.63582 0.8141465E-01  0.1068491     0.2861634E-01  0.1248270     0.2261393      0.2066664     36.44435 15.11652 58.37132 20.59328 -21.92698      25.54588 
1 1 1 4  12 21  o 68.31599 16.20810 0.3470100      0.1505903     0.4570200      0.1784344     0.7469956E-01  0.2807337     78.36623 16.98023 54.04198 22.56363 24.32425       28.23908 
1 1 1 4  12 22  o 134.6227 14.48818 1.302399       0.2650802     1.851446       0.3254504     0.2202202      0.4569088     160.6123 14.84253 71.15091 29.15520 89.46136       32.71585 
1 1 1 4  12 23  o 203.7404 13.88449 2.958441       0.3882833     3.238937       0.4741187     2.387164       0.6766243     211.9806 16.32325 173.9648 29.20228 38.01581       33.45477 
1 1 1 4  12 24  o 85.52813 15.92858 0.5388504      0.1811932     0.6161903      0.2178940     0.3654917      0.3262240     90.92899 17.99126 72.53940 25.84283 18.38959       31.48869 
1 1 1 4  12 25  o 176.7422 14.11439 2.232962       0.3415881     2.620950       0.4184555     1.458067       0.5913730     190.6463 16.04500 133.0271 32.47745 57.61919       36.22467 
1 1 1 4  12 26  o 83.25832 13.75057 0.5039337      0.1525646     0.5371520      0.2146868     0.4700435      0.2168472     84.46558 18.88160 78.72816 19.92892 5.737419       27.45317 
1 1 1 4  12 27  o 223.3853 11.92271 3.528724       0.3664333     3.895913       0.5232649     3.175376       0.5133083     232.3423 16.41570 208.7463 17.98379 23.59607       24.34937 
1 1 1 4  12 28  o 112.5144 12.73106 0.9062572      0.1943124     0.7465547      0.2726289     1.071148       0.2770224     99.22841 20.57276 120.8539 17.07590 -21.62553      26.73621 
1 1 1 4  12 29  o 77.53013 14.20985 0.4402656      0.1465180     0.2910656      0.2046268     0.5972377      0.2098888     63.32188 20.50239 89.49335 17.61198 -26.17147      27.02831 
1 1 1 4  12 30  o 96.68222 13.30952 0.6747311      0.1729732     0.4381402      0.2425143     0.9197254      0.2467836     75.77918 21.92608 112.0089 16.44581 -36.22968      27.40835 
1 1 1 4  12 31  o 65.54995 14.82545 0.3186045      0.1310470     0.2149963      0.1825411     0.4287916      0.1882474     56.11525 19.38205 75.37363 18.27611 -19.25837      26.63982 
1 1 1 4  12 32  o 97.26183 13.48805 0.6842436      0.1762704     0.5921977      0.2466846     0.7802742      0.2519674     87.95808 20.66209 102.1039 18.55509 -14.14585      27.77073 
1 1 1 4  12 33  o 196.3713 12.15757 2.738577       0.3280362     2.850075       0.4618378     2.625051       0.4660169     197.7212 17.08383 189.1164 18.06549 8.604797       24.86401 
1 1 1 4  12 34  o 208.4424 12.17952 3.086939       0.3490282     3.240239       0.4917023     2.931249       0.4955207     210.7818 17.03968 199.6993 18.16869 11.08247       24.90887 
1 1 1 4  12 35  f 264.5152 12.00239 4.955842       0.4383856     5.703627       0.6254141     4.233535       0.6146672     280.4624 16.21857 239.5919 18.72826 40.87053       24.77478 
1 1 1 4  12 36  o 146.2949 12.45795 1.530163       0.2492628     1.489085       0.3515771     1.571682       0.3534521     141.5092 18.43011 145.6891 17.94934 -4.179947      25.72640 
1 1 1 4  12 37  f 192.9147 12.26933 2.654083       0.3251335     2.011615       0.4543009     3.328678       0.4655207     163.1322 20.62925 213.9074 15.87390 -50.77524      26.02973 
1 1 1 4  12 38  o 90.64050 14.04935 0.6018918      0.1701488     0.4370823      0.2380564     0.7740165      0.2432823     74.96770 21.73297 101.3513 18.04521 -26.38361      28.24803 
1 1 1 4  12 39  o 170.0402 12.37932 2.071136       0.2886651     1.697975       0.4035855     2.461998       0.4130472     149.5741 20.04497 182.9735 16.52671 -33.39940      25.97948 
1 1 1 4  12 40  o 45.70880 14.92643 0.1478038      0.1083517     0.2012723      0.1502203     0.8982091E-01  0.1564335     52.98592 17.58854 43.91431 17.38332 9.071613       24.72926 
1 1 1 4  12 41  o 56.99256 17.23842 0.2437084      0.1472196     0.3013990      0.1732808     0.9401145E-01  0.2791287     62.83342 18.63420 53.60520 22.45018 9.228218       29.17608 
1 1 1 4  12 42  o 160.8480 15.01753 1.898010       0.3296850     2.766613       0.4041778     0.1710172      0.5699111     194.2874 15.18647 71.07467 30.96108 123.2128       34.48503 
1 1 1 4  12 43  o 80.89948 22.45057 0.5281036      0.2596357     0.8832077      0.3787718     0.2133698      0.3565918     102.2693 26.57854 63.19616 25.80999 39.07317       37.04827 
1 1 1 4  12 44  f 63.52743 24.48556 0.2699348      0.3035931     0.000000       0.000000      0.2699348      0.3035931     ?        ?        63.52743 24.48556 0.000000       24.48556 
1 1 1 4  12 45  o 17.48161 8.838361 -0.3451940     0.1037956     0.000000       0.000000      -0.3451940     0.1037956     ?        ?        17.48161 8.838361 0.000000       8.838361 
1 1 1 4  12 46  o 88.50226 26.23020 0.6771709      0.3434266     0.000000       0.000000      0.6771709      0.3434266     ?        ?        88.50226 26.23020 0.000000       26.23020 
1 1 1 4  12 47  o 119.6405 27.85501 1.264240       0.4515716     0.000000       0.000000      1.264240       0.4515716     ?        ?        119.6405 27.85501 0.000000       27.85501 
1 1 1 4  12 48  o 103.6664 19.50847 0.8542570      0.2690057     1.057888       0.3798655     0.6494073      0.3810001     110.8662 25.36361 84.91741 28.00249 25.94881       37.78164 
1 1 1 4  12 49  o 77.95412 17.21595 0.4776283      0.1803652     0.4030368      0.2236075     0.6165383      0.3051468     69.99205 21.26179 84.22043 24.66046 -14.22838      32.56074 
1 1 1 4  12 50  o 33.71527 12.79718 0.6363645E-01  0.8211377E-01 0.8972475E-01  0.1049339     0.2242605E-01  0.1318853     38.62498 14.51029 35.88092 15.24921 2.744068       21.04963 
1 1 1 4  12 51  o 22.95772 10.57866 -0.5356457E-01 0.7766903E-01 -0.2605028E-01 0.9948956E-01 -0.9650107E-01 0.1242830     28.36292 12.62056 28.14572 13.11062 0.2171993      18.19799 
1 1 1 4  12 52  o 48.07513 15.53895 0.1741621      0.1175814     0.1447979      0.1594362     0.2091762      0.1741001     47.16042 17.84839 53.05931 18.88164 -5.898891      25.98233 
1 1 1 4  12 53  f 112.3533 13.83968 0.9498006      0.2101697     1.111645       0.2944883     0.7817971      0.3000393     117.9272 18.70961 95.07581 23.08545 22.85136       29.71511 
1 1 1 4  12 54  o 62.51165 16.75729 0.3119484      0.1475956     0.4119619      0.2046615     0.2035632      0.2130548     70.25928 20.08748 53.84409 20.57137 16.41519       28.75218 
1 1 1 4  12 55  o 147.8722 13.25371 1.632762       0.2677493     1.473589       0.3747651     1.798720       0.3826680     133.2607 21.06694 149.7069 18.93490 -16.44629      28.32572 
1 1 1 4  12 56  o 46.00212 16.17558 0.1532026      0.1274118     0.7275331E-01  0.1709900     0.2536344      0.1910491     42.55516 17.67510 56.71506 19.81496 -14.15990      26.55262 
1 1 1 4  12 57  o 49.89438 16.18762 0.1918647      0.1275127     0.2022382      0.1747088     0.1800397      0.1865317     52.08267 18.86843 50.82359 19.28855 1.259083       26.98269 
1 1 1 4  12 58  o 70.71832 16.44930 0.3996114      0.1575965     0.4899887      0.2168705     0.2984825      0.2294078     76.07806 20.27666 60.51440 21.65937 15.56367       29.66936 
1 1 1 4  12 59  o 118.3500 14.11451 1.064672       0.2261099     1.035790       0.3126428     1.096345       0.3274029     110.7531 21.21593 113.5769 21.66699 -2.823784      30.32448 
1 1 1 4  12 60  o 65.37495 16.89440 0.3450443      0.1536068     0.4686340      0.2143512     0.2145779      0.2202338     74.28055 20.31364 54.42012 20.88568 19.86042       29.13513 
1 1 1 4  12 61  o 114.6429 14.45667 1.004279       0.2237629     1.187616       0.3150365     0.8176185      0.3178798     120.2361 19.65451 95.28820 24.13337 24.94791       31.12425 
1 1 1 4  12 62  o 30.57113 13.49783 -0.1597997E-01 0.1116719     0.8516049E-01  0.1526380     -0.1324659     0.1638087     41.80845 16.95769 31.49157 14.79262 10.31688       22.50299 
1 1 1 4  12 63  o 164.5909 13.85899 2.042571       0.3120432     1.926227       0.4348027     2.166133       0.4480887     151.5759 21.36702 161.8879 20.50492 -10.31207      29.61420 
1 1 1 4  12 64  o 112.2577 14.75252 0.9665544      0.2231383     1.369904       0.3142387     0.5563210      0.3169087     131.0876 17.82247 77.33662 25.54058 53.75094       31.14421 
1 1 1 4  12 65  o 119.8448 14.45159 1.097023       0.2343263     1.375074       0.3318012     0.8203538      0.3309753     130.0571 19.03978 94.51928 24.98161 35.53782       31.41009 
1 1 1 4  12 66  o 102.9693 15.20666 0.8222686      0.2097061     1.100742       0.2951987     0.5385631      0.2979591     115.9829 19.09725 76.34021 24.74246 39.64273       31.25531 
1 1 1 4  12 67  o 128.2436 14.31900 1.258256       0.2492346     1.283809       0.3479511     1.231330       0.3571716     122.8531 21.28230 118.8775 22.58477 3.975624       31.03238 
1 1 1 4  12 68  o 76.11623 17.33190 0.4738971      0.1780830     0.5146460      0.2447898     0.4280850      0.2595527     75.91643 22.04689 68.85016 23.12441 7.066269       31.95002 
1 1 1 4  12 69  o 110.7055 15.13033 0.9599419      0.2252342     1.169778       0.3115945     0.7303272      0.3259485     117.6529 19.88894 86.58634 25.52539 31.06657       32.35917 
1 1 1 4  12 70  o 43.59635 16.76994 0.1270945      0.1421883     0.2992386E-01  0.1872573     0.2594071      0.2185103     40.52803 17.69831 56.06561 20.96304 -15.53757      27.43500 
1 1 1 4  12 71  o 79.02738 16.97390 0.5206028      0.1796974     0.5993342      0.2482096     0.4338838      0.2604964     80.37222 21.80933 67.17760 23.15649 13.19462       31.80990 
1 1 1 4  12 72  o 61.86352 17.79291 0.3336044      0.1601316     0.2345999      0.2193309     0.4466161      0.2343334     53.06487 20.71112 68.07179 21.92975 -15.00692      30.16396 
1 1 1 4  12 73  o 65.20549 17.52488 0.3742947      0.1611782     0.5904769      0.2223382     0.1348633      0.2339886     79.71269 20.18049 47.15065 20.18154 32.56204       28.54027 
1 1 1 4  12 74  o 52.75935 17.24858 0.2472142      0.1446719     0.2605779      0.1977923     0.2318390      0.2121560     53.12112 19.92829 51.21076 20.25271 1.910358       28.41319 
1 1 1 4  12 75  o 49.39830 18.27613 0.2218978      0.1652238     0.4596087      0.2912587     0.1091054      0.2006292     62.29972 23.99125 42.89798 18.52823 19.40173       30.31296 
1 1 1 4  12 76  o 27.80558 13.08811 -0.8054575E-01 0.1293814     -0.8986534E-01 0.1835506     -0.7134257E-01 0.1824007     32.66469 15.44023 33.22303 15.60709 -0.5583382     21.95409 
1 1 1 4  12 77  o 30.84897 14.08886 -0.1506271E-01 0.1336782     -0.1506271E-01 0.1336782     0.000000       0.000000      30.84897 14.08886 ?        ?        0.000000       14.08886 
1 1 1 4  12 78  o 46.68701 20.75458 0.2543500      0.2684474     0.2543500      0.2684474     0.000000       0.000000      46.68701 20.75458 ?        ?        0.000000       20.75458 
1 1 1 4  12 79  o 44.85984 20.27747 0.2654831      0.2682320     0.2654831      0.2682320     0.000000       0.000000      44.85984 20.27747 ?        ?        0.000000       20.27747 
1 1 1 4  12 80  o 59.32354 26.72240 1.216823       0.4611623     1.216823       0.4611623     0.000000       0.000000      59.32354 26.72240 ?        ?        0.000000       26.72240 
1 1 1 4  12 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 3   o 106.9144 27.21335 0.9337844      0.4027750     0.9337844      0.4027750     0.000000       0.000000      106.9144 27.21335 ?        ?        0.000000       27.21335 
1 1 1 4  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 5   f 102.6684 27.54446 0.8652707      0.3985876     0.000000       0.000000      0.8652707      0.3985876     ?        ?        102.6684 27.54446 0.000000       27.54446 
1 1 1 4  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 11  o 69.99393 24.03007 0.3661230      0.2803840     0.3661230      0.2803840     0.000000       0.000000      69.99393 24.03007 ?        ?        0.000000       24.03007 
1 1 1 4  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 14  o 67.72350 23.48381 0.3395742      0.2681048     0.000000       0.000000      0.3395742      0.2681048     ?        ?        67.72350 23.48381 0.000000       23.48381 
1 1 1 4  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 20  o 88.50415 26.33822 0.6524968      0.3457354     0.6524968      0.3457354     0.000000       0.000000      88.50415 26.33822 ?        ?        0.000000       26.33822 
1 1 1 4  13 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 22  o 138.6972 28.90949 1.646135       0.5357145     0.000000       0.000000      1.646135       0.5357145     ?        ?        138.6972 28.90949 0.000000       28.90949 
1 1 1 4  13 23  o 72.62119 19.98198 0.4161991      0.2066669     0.9492023      0.2858626     -0.1674308     0.2991309     110.6888 19.41095 44.59731 20.62374 66.09152       28.32179 
1 1 1 4  13 24  o 62.61907 19.54466 0.3026181      0.1874173     1.076672       0.2549125     -0.6080729     0.2764975     120.0725 15.75505 32.32451 16.05618 87.74803       22.49494 
1 1 1 4  13 25  o 49.42560 20.71451 0.8022531E-01  0.2379122     0.000000       0.000000      0.8022531E-01  0.2379122     ?        ?        49.42560 20.71451 0.000000       20.71451 
1 1 1 4  13 26  o 47.77471 20.30272 0.5607664E-01  0.2337547     0.000000       0.000000      0.5607664E-01  0.2337547     ?        ?        47.77471 20.30272 0.000000       20.30272 
1 1 1 4  13 27  o ?        ?        -0.4044279     0.6975029E-01 0.000000       0.000000      -0.4044279     0.6975029E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  13 28  o 102.7317 29.17042 0.9559863      0.4331195     0.000000       0.000000      0.9559863      0.4331195     ?        ?        102.7317 29.17042 0.000000       29.17042 
1 1 1 4  13 29  o 90.83329 27.16195 0.7303472      0.3670438     0.000000       0.000000      0.7303472      0.3670438     ?        ?        90.83329 27.16195 0.000000       27.16195 
1 1 1 4  13 30  o 122.8382 28.34402 1.347206       0.4709880     0.000000       0.000000      1.347206       0.4709880     ?        ?        122.8382 28.34402 0.000000       28.34402 
1 1 1 4  13 31  o 102.4640 21.08648 0.8540288      0.2883928     -0.1340155     0.4076468     1.844036       0.4080516     52.23737 24.12831 152.8061 19.80498 -100.5687      31.21558 
1 1 1 4  13 32  o 284.7044 14.76815 6.034861       0.5785809     5.928104       0.8158115     6.142898       0.8206840     270.5175 22.03158 275.9687 21.71199 -5.451141      30.93220 
1 1 1 4  13 33  o 131.5824 15.38287 1.309821       0.2742191     0.8843213      0.3331528     2.203696       0.4828720     101.4638 24.13115 164.4311 21.80501 -62.96727      32.52339 
1 1 1 4  13 34  o 145.8671 15.15309 1.606590       0.3007541     1.101323       0.3649902     2.675295       0.5308229     113.4185 24.05144 181.0762 21.65989 -67.65772      32.36700 
1 1 1 4  13 35  o 70.69995 16.26174 0.3922999      0.1554454     0.2105740      0.2141288     0.5947677      0.2260189     54.78185 20.69603 85.44759 19.57617 -30.66573      28.48775 
1 1 1 4  13 36  f 54.06995 16.55531 0.2275273      0.1352050     0.1899723      0.1872618     0.2684244      0.1954164     52.10060 19.42090 58.48883 20.06237 -6.388233      27.92257 
1 1 1 4  13 37  o 63.23763 16.71411 0.3175541      0.1481550     0.3297250      0.2073968     0.3048709      0.2117155     63.48378 20.64701 61.49910 20.88386 1.984684       29.36724 
1 1 1 4  13 38  o 147.7992 13.44705 1.628734       0.2714317     1.678242       0.3811676     1.577800       0.3866154     144.3469 19.63301 138.7369 20.82422 5.610016       28.61998 
1 1 1 4  13 39  o 58.31494 16.70589 0.2699763      0.1414163     0.1855524      0.1977589     0.3583257      0.2023044     52.00331 19.83080 65.73251 20.27166 -13.72920      28.35844 
1 1 1 4  13 40  o 141.8401 13.46852 1.504953       0.2606246     1.403738       0.3655277     1.609619       0.3717077     130.2006 21.04979 141.0095 19.62221 -10.80890      28.77715 
1 1 1 4  13 41  o 70.56572 16.80379 0.3979641      0.1613858     0.1802474      0.2234359     0.6354407      0.2333552     52.66571 20.79808 87.62000 19.75884 -34.95428      28.68749 
1 1 1 4  13 42  f 87.79941 15.67192 0.6008839      0.1830292     0.7353258      0.2573613     0.4633021      0.2603493     93.81706 20.44427 72.66891 23.08409 21.14816       30.83574 
1 1 1 4  13 43  o 65.74415 16.46757 0.3455086      0.1491745     0.3648729      0.2050808     0.3237508      0.2173859     65.91604 20.42387 62.46507 21.16192 3.450974       29.41022 
1 1 1 4  13 44  o 89.12982 15.15448 0.6157709      0.1798333     0.7235102      0.2473836     0.4950345      0.2618804     93.39346 19.79760 74.80754 23.06316 18.58591       30.39498 
1 1 1 4  13 45  o 60.77755 16.85864 0.2972378      0.1464403     0.2862072      0.2002790     0.3099099      0.2146644     59.31487 20.31114 61.26395 21.02647 -1.949078      29.23448 
1 1 1 4  13 46  o 116.3053 14.27544 1.030132       0.2244461     1.081232       0.3134034     0.9763291      0.3215842     113.7326 20.71972 106.1421 22.63267 7.590477       30.68460 
1 1 1 4  13 47  o 71.05009 18.51367 0.4165181      0.1834651     0.6917152      0.2230725     -0.1587542     0.3225231     92.41544 18.12852 44.69091 20.91709 47.72453       27.67974 
1 1 1 4  13 48  f 49.73655 17.10622 0.1876100      0.1421172     0.4245759      0.1708028     -0.3455795     0.2562081     72.42947 17.31334 34.71387 16.87300 37.71560       24.17541 
1 1 1 4  13 49  f 29.18387 13.02144 -0.2710145E-01 0.1066930     0.7470127E-01  0.1243379     -0.3113793     0.2077759     38.62924 15.43196 30.89815 15.05782 7.731094       21.56116 
1 1 1 4  13 50  o 95.25417 14.90108 0.6999332      0.1895696     0.6428671      0.2656966     0.7591044      0.2705530     85.86832 22.23347 94.42243 21.26265 -8.554115      30.76406 
1 1 1 4  13 51  o 69.42313 16.39573 0.3850043      0.1546620     0.4827480      0.2169183     0.2839347      0.2205779     75.47502 20.34983 59.36137 21.23932 16.11366       29.41470 
1 1 1 4  13 52  o 95.86938 15.23781 0.7120589      0.1949662     0.5739759      0.2703679     0.8616522      0.2814111     80.34976 23.12283 101.1824 20.83576 -20.83267      31.12546 
1 1 1 4  13 53  o 72.94624 16.56658 0.4256925      0.1630639     0.2891495      0.2263691     0.5729623      0.2350927     59.75494 21.50188 82.00954 20.74540 -22.25460      29.87813 
1 1 1 4  13 54  o 94.54297 15.16502 0.6934797      0.1912826     0.8184119      0.2678880     0.5635251      0.2732197     98.82122 20.31091 79.22669 23.37370 19.59453       30.96551 
1 1 1 4  13 55  f 88.70801 15.35866 0.6147027      0.1813156     0.7034945      0.2512233     0.5181658      0.2619511     91.14938 20.46199 76.09077 22.98996 15.05861       30.77712 
1 1 1 4  13 56  o 37.13944 14.85910 0.6818361E-01  0.1154681     0.5650397E-01  0.1527745     0.8374479E-01  0.1763428     39.68399 16.61349 43.33575 17.97034 -3.651768      24.47328 
1 1 1 4  13 57  o 51.27953 16.88665 0.2075619      0.1385715     0.4828093E-01  0.1872539     0.4003832      0.2060282     41.97340 18.01209 68.12235 20.34536 -26.14895      27.17295 
1 1 1 4  13 58  o 67.64748 17.11020 0.3768397      0.1599351     0.1808399      0.2203200     0.5951833      0.2325393     51.48301 20.55045 82.82110 20.45469 -31.33809      28.99509 
1 1 1 4  13 59  o 72.88878 16.83154 0.4368166      0.1659808     0.3848839      0.2274942     0.4959278      0.2427084     65.50681 21.63986 73.67911 22.09986 -8.172295      30.93037 
1 1 1 4  13 60  o 115.1679 14.94730 1.047123       0.2320962     0.9656201      0.3211713     1.136211       0.3357833     101.7478 23.35421 111.7542 22.53775 -10.00639      32.45565 
1 1 1 4  13 61  o 81.79820 16.46803 0.5532582      0.1795682     0.4436328      0.2455276     0.6793268      0.2632984     68.10585 22.48037 85.13225 22.17686 -17.02640      31.57816 
1 1 1 4  13 62  o 88.33247 16.23629 0.6476657      0.1907388     0.7173388      0.2620639     0.5691796      0.2781447     87.06929 21.83626 74.57095 23.87820 12.49834       32.35723 
1 1 1 4  13 63  o 51.86341 17.10896 0.2316717      0.1422211     0.3484769      0.1941115     0.9629793E-01  0.2089717     60.99360 19.98150 44.03308 18.96420 16.96052       27.54816 
1 1 1 4  13 64  o 85.81989 16.07594 0.6254664      0.1835026     0.7982911      0.2583317     0.4494470      0.2607084     91.36029 20.92735 64.84684 23.10251 26.51345       31.17178 
1 1 1 4  13 65  o 58.41470 17.04205 0.3097957      0.1459671     0.2161301      0.2030698     0.4099251      0.2099597     49.35080 19.71930 63.37305 20.78217 -14.02225      28.64872 
1 1 1 4  13 66  o 36.89051 16.16652 0.4870031E-01  0.1574688     -0.3209694E-01 0.2266858     0.1240475      0.2189070     37.94241 17.68484 43.86911 19.14705 -5.926697      26.06459 
1 1 1 4  13 67  o 29.52337 13.69191 -0.4641313E-01 0.1332304     0.9556276E-02  0.1943236     -0.9605885E-01 0.1830168     36.81080 16.87690 32.11434 15.24957 4.696457       22.74597 
1 1 1 4  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 5   o 36.27322 16.26447 -0.3863416E-01 0.1686557     0.000000       0.000000      -0.3863416E-01 0.1686557     ?        ?        36.27322 16.26447 0.000000       16.26447 
1 1 1 4  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 11  o 34.88025 15.98422 -0.8082418E-01 0.1740269     -0.8082418E-01 0.1740269     0.000000       0.000000      34.88025 15.98422 ?        ?        0.000000       15.98422 
1 1 1 4  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 14  o ?        ?        -0.2564294     0.5770105E-01 0.000000       0.000000      -0.2564294     0.5770105E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  14 15  o ?        ?        -0.4959585     0.5997053E-01 0.000000       0.000000      -0.4959585     0.5997053E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 20  o 37.39649 16.72649 -0.3057026E-01 0.1771978     -0.3057026E-01 0.1771978     0.000000       0.000000      37.39649 16.72649 ?        ?        0.000000       16.72649 
1 1 1 4  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 24  o 33.23680 15.17166 -0.6651651E-01 0.1547669     0.000000       0.000000      -0.6651651E-01 0.1547669     ?        ?        33.23680 15.17166 0.000000       15.17166 
1 1 1 4  14 25  o 39.94291 17.79379 -0.1801864E-01 0.1983844     0.000000       0.000000      -0.1801864E-01 0.1983844     ?        ?        39.94291 17.79379 0.000000       17.79379 
1 1 1 4  14 26  o 42.86862 16.92883 0.1038670      0.1480311     0.5101869      0.1979019     -0.4122347     0.2230404     78.84919 18.49612 30.17603 14.88542 48.67316       23.74199 
1 1 1 4  14 27  o 65.99264 20.63811 0.3681891      0.2088592     0.9189887      0.2863763     -0.2576917     0.3052714     104.8656 20.51203 40.87244 19.48919 63.99316       28.29438 
1 1 1 4  14 28  o 67.69434 20.87965 0.3899824      0.2146128     1.137801       0.2958024     -0.4411758     0.3118497     118.6428 18.67318 37.33738 18.25043 81.30547       26.11065 
1 1 1 4  14 29  o 67.59795 20.92926 0.3889867      0.2154017     0.9173881      0.2967066     -0.1998348     0.3132110     103.9980 21.37603 42.95311 20.26235 61.04491       29.45331 
1 1 1 4  14 30  o 49.28336 17.49067 0.1799621      0.1492973     0.3177530      0.1792165     -0.1325162     0.2698843     62.08565 19.06877 41.64313 19.37183 20.44252       27.18246 
1 1 1 4  14 31  o 72.43664 19.02219 0.4355233      0.1927038     0.7650181      0.2353193     -0.2352781     0.3357610     97.33327 18.17736 43.64875 20.70587 53.68451       27.55266 
1 1 1 4  14 32  o 115.8187 14.26805 1.020661       0.2233570     0.7899209      0.3143897     1.255813       0.3173806     93.79593 24.13441 124.3987 19.08620 -30.60275      30.76935 
1 1 1 4  14 33  o 34.74919 14.25527 0.4516223E-01  0.1093870     -0.1309612E-01 0.1525822     0.1067655      0.1569013     35.68853 15.76646 43.74249 17.37952 -8.053967      23.46548 
1 1 1 4  14 34  o 49.61844 16.58639 0.1881127      0.1335266     0.4530415E-01  0.1896292     0.3285538      0.1880509     42.39401 18.15744 62.97033 19.56513 -20.57632      26.69245 
1 1 1 4  14 35  o 79.05428 16.02249 0.4932295      0.1689121     0.5848284      0.2388571     0.4015989      0.2388985     82.87827 20.88111 68.21261 22.15841 14.66566       30.44694 
1 1 1 4  14 36  o 67.51174 16.70367 0.3661072      0.1548627     0.3954186      0.2191390     0.3368653      0.2188789     68.05712 21.11642 63.35928 21.23559 4.697838       29.94751 
1 1 1 4  14 37  o 33.53838 14.03106 0.3106454E-01  0.1088654     -0.3566660E-01 0.1463894     0.1136351      0.1628388     33.76088 15.14436 44.60799 17.71101 -10.84711      23.30304 
1 1 1 4  14 38  o 41.56587 16.74429 0.8748753E-01  0.1477248     -0.1350110     0.2667418     0.1859194      0.1774170     41.24844 19.21172 50.76820 18.90759 -9.519753      26.95529 
1 1 1 4  14 39  o 52.87548 18.49623 0.2165300      0.1664902     -0.3192338E-01 0.2990232     0.3281561      0.2004312     46.92278 21.29064 62.57373 20.29434 -15.65095      29.41346 
1 1 1 4  14 40  o 70.11903 19.44309 0.4142371      0.1948163     0.1930660      0.3341932     0.5280848      0.2397705     57.30069 24.31020 77.77737 21.57122 -20.47668      32.50082 
1 1 1 4  14 41  o 39.70739 16.26769 0.7023718E-01  0.1422157     -0.3132264     0.2496943     0.2543615      0.1730223     34.71726 16.82402 56.08055 18.88008 -21.36329      25.28844 
1 1 1 4  14 42  o 59.80387 19.06919 0.2978159      0.1775340     -0.1499069     0.3110419     0.5141541      0.2162126     43.70833 20.48399 77.49181 20.05253 -33.78348      28.66527 
1 1 1 4  14 43  o 58.23539 18.57554 0.2814653      0.1684500     -0.6699403E-01 0.3098629     0.4276470      0.2006966     45.89846 21.14210 70.52586 19.79797 -24.62740      28.96460 
1 1 1 4  14 44  o 52.44363 18.50892 0.2186303      0.1669630     -0.1884359     0.3059604     0.3912571      0.1992448     41.94914 19.86073 67.12191 19.99879 -25.17277      28.18511 
1 1 1 4  14 45  o 20.91718 10.33159 -0.2213917     0.1086688     -0.4644732E-01 0.1927720     -0.3028800     0.1315654     37.49807 17.04516 21.99749 10.95103 15.50058       20.25988 
1 1 1 4  14 46  o 26.63675 12.73417 -0.1464012     0.1321014     0.2742852E-01  0.2191666     -0.2455884     0.1655542     42.65695 18.86790 27.58436 13.44250 15.07258       23.16675 
1 1 1 4  14 47  o 16.34806 8.144736 -0.1785906     0.7334179E-01 -0.4323116     0.1589976     -0.1100135     0.8266130E-01 22.59628 11.36265 20.59402 9.904971 2.002253       15.07376 
1 1 1 4  14 48  o 66.85683 18.55107 0.3933805      0.1772874     0.6559253      0.2172322     -0.1302576     0.3067878     86.95304 18.65171 42.36834 20.00696 44.58470       27.35260 
1 1 1 4  14 49  o 61.64053 18.38167 0.3376766      0.1682709     0.5038490      0.2032423     -0.2447456E-01 0.3000402     74.56126 19.51387 44.62113 20.64190 29.94013       28.40562 
1 1 1 4  14 50  o 50.88250 17.84881 0.2226404      0.1550904     0.4216954      0.1887884     -0.1905341     0.2719916     67.70166 19.27084 37.84086 18.13874 29.86080       26.46468 
1 1 1 4  14 51  o 49.47107 17.70907 0.2112041      0.1533633     0.2933277      0.1850462     0.3105023E-01  0.2740742     56.07058 19.50617 44.12787 20.16118 11.94271       28.05287 
1 1 1 4  14 52  o 42.79367 16.68028 0.1392840      0.1421213     0.1478083E-01  0.1701622     0.4264667      0.2584353     36.67392 16.39806 62.61718 22.90810 -25.94325      28.17228 
1 1 1 4  14 53  o 44.90967 16.96834 0.1699330      0.1439499     0.2229523      0.1737263     0.5378802E-01  0.2571275     49.34878 18.64202 42.92204 19.57825 6.426735       27.03391 
1 1 1 4  14 54  o 32.54186 14.76572 -0.1080802E-01 0.1438338     0.1028547      0.2003481     -0.1316988     0.2066202     41.89296 18.30009 33.23481 15.89874 8.658142       24.24177 
1 1 1 4  14 55  o 27.27150 12.81221 -0.7117151E-01 0.1229609     -0.5960032E-01 0.1760050     -0.8220346E-01 0.1718551     32.78642 15.37924 31.62610 14.94652 1.160320       21.44573 
1 1 1 4  14 56  o 47.08733 20.85740 0.2276999      0.2687598     0.000000       0.000000      0.2276999      0.2687598     ?        ?        47.08733 20.85740 0.000000       20.85740 
1 1 1 4  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 5   o ?        ?        -0.4957901     0.6092123E-01 0.000000       0.000000      -0.4957901     0.6092123E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 15  o 23.58668 11.33031 -0.1390123     0.1073917     0.000000       0.000000      -0.1390123     0.1073917     ?        ?        23.58668 11.33031 0.000000       11.33031 
1 1 1 4  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 21  o 36.97007 16.71894 -0.3720562E-01 0.1825937     -0.3720562E-01 0.1825937     0.000000       0.000000      36.97007 16.71894 ?        ?        0.000000       16.71894 
1 1 1 4  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 25  o 51.97506 21.43320 0.1901532      0.2488836     0.000000       0.000000      0.1901532      0.2488836     ?        ?        51.97506 21.43320 0.000000       21.43320 
1 1 1 4  15 26  o 50.22207 21.50343 0.1478777      0.2658062     0.000000       0.000000      0.1478777      0.2658062     ?        ?        50.22207 21.50343 0.000000       21.50343 
1 1 1 4  15 27  o 46.35248 20.28659 0.8737106E-01  0.2472450     0.000000       0.000000      0.8737106E-01  0.2472450     ?        ?        46.35248 20.28659 0.000000       20.28659 
1 1 1 4  15 28  o 58.21915 23.93135 0.3095033      0.3090529     0.000000       0.000000      0.3095033      0.3090529     ?        ?        58.21915 23.93135 0.000000       23.93135 
1 1 1 4  15 29  o 31.11648 14.19468 -0.4336776E-01 0.1352025     -0.1002878     0.1734082     0.4487841E-01  0.2159160     32.71381 15.31967 42.24398 18.70425 -9.530163      24.17729 
1 1 1 4  15 30  o 36.31005 15.58237 0.4174042E-01  0.1401521     0.1797266      0.1782281     -0.1818417     0.2268699     47.85181 18.67171 34.74879 16.63262 13.10302       25.00554 
1 1 1 4  15 31  o 29.69040 13.67299 -0.5493435E-01 0.1294950     0.2103060E-01  0.1686463     -0.1640659     0.2021368     37.34499 16.53305 32.99766 15.76872 4.347332       22.84719 
1 1 1 4  15 32  o 23.39167 11.39875 -0.1767090     0.1189993     -0.4244269     0.1655350     0.8821733E-01  0.1711881     23.12900 11.62552 41.04809 17.40612 -17.91909      20.93145 
1 1 1 4  15 33  o 33.11042 15.09132 -0.2939516E-01 0.1524088     -0.6527591E-02 0.2093180     -0.5519859E-01 0.2223490     38.68890 17.65403 37.77295 17.57540 0.9159508      24.91103 
1 1 1 4  15 34  o ?        ?        -0.5192425     0.5176861E-01 -0.3956691     0.7114024E-01 -0.6583368     0.7547570E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  15 35  o 28.77777 13.42265 -0.6813496E-01 0.1309517     -0.1688385     0.1922251     0.1907298E-01  0.1788815     31.30123 15.06726 37.13224 16.69241 -5.831011      22.48686 
1 1 1 4  15 36  o 33.05711 14.95683 -0.7348883E-02 0.1463426     -0.1194074     0.2146460     0.8998189E-01  0.2000440     34.34971 16.36882 41.46247 18.19446 -7.112762      24.47400 
1 1 1 4  15 37  o 49.36809 21.44212 0.2335525      0.2717170     0.000000       0.000000      0.2335525      0.2717170     ?        ?        49.36809 21.44212 0.000000       21.44212 
1 1 1 4  15 38  o ?        ?        -0.3187756     0.6365587E-01 0.000000       0.000000      -0.3187756     0.6365587E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  15 39  o 29.20671 13.93337 -0.1045170     0.1564265     0.000000       0.000000      -0.1045170     0.1564265     ?        ?        29.20671 13.93337 0.000000       13.93337 
1 1 1 4  15 40  o 22.20462 10.90354 -0.1747802     0.1152815     0.000000       0.000000      -0.1747802     0.1152815     ?        ?        22.20462 10.90354 0.000000       10.90354 
1 1 1 4  15 41  o ?        ?        -0.2854134     0.6208421E-01 0.000000       0.000000      -0.2854134     0.6208421E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 4   o ?        ?        -0.3109040     0.6004088E-01 0.000000       0.000000      -0.3109040     0.6004088E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 4  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  0   o 1085.242 29.36570 81.67830       4.393247      81.67830       4.393247      0.000000       0.000000      1085.242 29.36570 1085.242 29.36570 0.000000       0.000000 
1 1 1 5  0  1   o 607.1017 17.05056 25.54620       1.426798      25.30394       2.004220      25.79514       2.031655      603.0193 24.15810 608.8530 24.25313 0.000000       0.000000 
1 1 1 5  0  2   o 893.6963 19.32361 55.32981       2.382087      49.33242       3.129992      63.58480       3.672148      842.3835 26.97149 956.4849 27.85726 0.000000       0.000000 
1 1 1 5  0  3   o 640.2291 24.41858 28.51263       2.151579      28.51263       2.151579      0.000000       0.000000      640.2291 24.41858 640.2291 24.41858 0.000000       0.000000 
1 1 1 5  0  4   o 417.2814 16.34042 12.09406       0.9382422     10.05708       1.271593      14.52824       1.390056      378.6968 24.55424 456.5227 22.17040 0.000000       0.000000 
1 1 1 5  0  5   o 810.0299 15.13321 45.40454       1.691329      47.50553       2.967777      44.39396       2.058290      826.7698 26.05473 800.4786 18.64452 0.000000       0.000000 
1 1 1 5  0  6   o 177.7318 12.71463 2.216085       0.3083686     2.102522       0.3778892     2.442434       0.5334997     172.1328 16.23031 184.1050 21.78902 -0.000000      0.000000 
1 1 1 5  0  7   o 479.3189 13.35098 15.91420       0.8820901     16.50977       1.535701      15.62096       1.077583      486.7002 22.96766 474.4566 16.49330 0.000000       0.000000 
1 1 1 5  0  8   o 334.6648 12.87264 7.773883       0.5928630     7.983082       0.7291651     7.365821       1.018377      338.7337 15.66572 323.7345 23.04992 -0.000000      0.000000 
1 1 1 5  0  9   o 324.7364 12.85424 7.321404       0.5743371     7.571493       0.9967030     7.197080       0.7027398     328.4915 22.20668 321.4686 15.92041 0.000000       0.000000 
1 1 1 5  0  10  f 766.5076 12.86498 40.63554       1.360779      37.88622       1.858464      43.81311       1.997964      739.4224 18.22721 795.2582 18.21614 -0.000000      0.000000 
1 1 1 5  0  11  o 227.3175 11.04822 3.595213       0.3449197     4.288622       0.4942910     2.937119       0.4815390     247.8133 14.56014 203.8937 17.39496 0.000000       0.000000 
1 1 1 5  0  12  o 203.8116 10.95810 2.894629       0.3063545     2.794726       0.4323437     2.995375       0.4341633     199.1607 15.95691 206.4449 15.42849 -0.000000      0.000000 
1 1 1 5  0  13  o 163.8258 11.00417 1.879205       0.2463524     1.969717       0.3492042     1.789528       0.3475911     166.6756 15.47984 158.4201 16.28405 0.000000       0.000000 
1 1 1 5  0  14  f 242.0488 11.03288 4.072922       0.3670036     3.969995       0.5177491     4.176867       0.5203032     238.0432 15.91489 244.3204 15.56756 -0.000000      0.000000 
1 1 1 5  0  15  o 506.8083 11.70380 17.77602       0.8180602     17.53834       1.153889      18.01621       1.159958      502.7805 16.66210 509.6267 16.52295 0.000000       0.000000 
1 1 1 5  0  16  o 1250.003 18.15464 108.1554       3.132062      108.9134       3.856290      106.6864       5.368771      1253.562 22.29441 1238.291 31.44469 -0.000000      0.000000 
1 1 1 5  0  17  o 751.0327 14.71304 39.03784       1.524485      40.68658       2.690526      38.25821       1.850137      764.9072 25.53812 743.0240 18.05688 0.000000       0.000000 
1 1 1 5  0  18  o 1670.631 21.66727 193.3400       4.996409      196.7987       8.804118      191.6969       6.068260      1679.721 38.00256 1662.151 26.45476 -0.000000      0.000000 
1 1 1 5  0  19  o 730.7286 12.63457 36.93473       1.273977      36.99581       1.802849      36.87382       1.800504      730.6452 17.89385 729.4365 17.90028 0.000000       0.000000 
1 1 1 5  0  20  o 1007.950 14.18650 70.27310       1.973596      68.84456       2.755104      71.77879       2.828516      996.7238 20.03648 1017.748 20.14487 -0.000000      0.000000 
1 1 1 5  0  21  o 357.1161 11.23966 8.838138       0.5530000     9.371701       0.7880633     8.320527       0.7761922     367.1566 15.60848 345.7092 16.34322 0.000000       0.000000 
1 1 1 5  0  22  o 143.2764 12.97877 1.453365       0.2519260     1.641284       0.3096334     1.085328       0.4333183     151.8626 15.10898 113.8670 31.84834 -0.000000      0.000000 
1 1 1 5  0  23  o 91.75187 13.95645 0.6208289      0.1646887     0.5701259      0.2856782     0.6460665      0.2015506     78.66116 28.59797 91.94585 17.79233 0.000000       0.000000 
1 1 1 5  0  24  o 415.6313 13.18827 11.97679       0.7551666     12.09406       1.310272      11.91846       0.9240819     415.9129 22.97530 414.1710 16.21464 -0.000000      0.000000 
1 1 1 5  0  25  o 722.4090 12.62099 36.10363       1.258101      36.53452       1.788223      35.68130       1.770359      725.9811 17.86294 717.4329 17.89588 0.000000       0.000000 
1 1 1 5  0  26  o 649.8008 12.29068 29.21478       1.101904      28.04954       1.535838      30.45086       1.581834      635.9768 17.51911 662.7331 17.31230 -0.000000      0.000000 
1 1 1 5  0  27  o 830.1915 13.16469 47.68116       1.508276      46.86833       2.114400      48.52328       2.152149      822.2355 18.64479 836.6473 18.65003 0.000000       0.000000 
1 1 1 5  0  28  o 662.6470 12.37198 30.38308       1.131144      30.11653       1.595022      30.65277       1.604378      658.9911 17.55685 664.8533 17.50345 -0.000000      0.000000 
1 1 1 5  0  29  o 547.9579 11.86943 20.78234       0.8971291     20.90801       1.270424      20.65735       1.267047      548.9258 16.79649 545.6067 16.85444 0.000000       0.000000 
1 1 1 5  0  30  o 176.8129 11.09292 2.185955       0.2683873     2.244696       0.3798525     2.127396       0.3792620     178.0838 15.72957 173.1244 16.19054 -0.000000      0.000000 
1 1 1 5  0  31  o 220.1650 11.06212 3.375364       0.3343612     3.365115       0.4728137     3.385617       0.4729027     218.8415 15.83729 219.5293 15.78824 0.000000       0.000000 
1 1 1 5  0  32  o 522.8975 11.77782 18.92948       0.8494182     19.10575       1.204137      18.75488       1.198401      524.6108 16.66072 519.7435 16.73773 -0.000000      0.000000 
1 1 1 5  0  33  o 95.79494 11.75780 0.6624357      0.1492498     0.7489312      0.2120378     0.5774998      0.2101175     100.1072 16.74874 84.70591 20.74056 0.000000       0.000000 
1 1 1 5  0  34  o 134.2885 11.26271 1.272638       0.2054632     1.273115       0.2901264     1.272159       0.2910132     132.6341 16.53546 132.5555 16.60500 -0.000000      0.000000 
1 1 1 5  0  35  o 167.6991 11.12030 1.969590       0.2549067     1.929157       0.3605928     2.009979       0.3603922     164.5877 16.22861 168.2150 15.83840 0.000000       0.000000 
1 1 1 5  0  36  o 104.4772 11.62371 0.7822488      0.1623790     0.7595837      0.2288029     0.8052481      0.2304835     100.0708 18.39080 103.6487 17.63779 -0.000000      0.000000 
1 1 1 5  0  37  f 260.0766 12.87798 4.713164       0.4598875     4.803993       0.7977436     4.667953       0.5628237     260.1352 22.60133 258.1834 15.92609 0.000000       0.000000 
1 1 1 5  0  38  o 157.2114 16.15345 1.765181       0.3421791     1.758934       0.4832162     1.771464       0.4846155     153.5017 24.72043 154.1070 24.66900 -0.000000      0.000000 
1 1 1 5  0  39  o 134.5676 13.19610 1.288791       0.2397898     1.232192       0.2937871     1.401744       0.4150293     130.0706 17.19438 135.9348 24.46744 0.000000       0.000000 
1 1 1 5  0  40  o 205.4670 11.13376 2.945676       0.3137604     2.898251       0.4430396     2.993397       0.4444121     202.6166 16.06785 206.0398 15.83568 -0.000000      0.000000 
1 1 1 5  0  41  o 346.5972 11.30852 8.337782       0.5399085     8.449846       0.7649875     8.226559       0.7621124     348.0166 15.99599 343.3216 16.15761 0.000000       0.000000 
1 1 1 5  0  42  o 151.0045 11.26898 1.603939       0.2319616     1.554366       0.3271833     1.654036       0.3289098     146.9374 16.68065 151.9484 16.08888 -0.000000      0.000000 
1 1 1 5  0  43  o 171.1621 13.02509 2.064201       0.3037417     2.133842       0.5276726     2.029691       0.3714525     170.1979 23.78228 168.7202 16.29295 0.000000       0.000000 
1 1 1 5  0  44  o 388.6156 16.25538 10.53926       0.8688087     10.39728       1.225483      10.68274       1.231905      383.7989 23.32138 389.1626 23.11156 -0.000000      0.000000 
1 1 1 5  0  45  o 179.2784 13.03269 2.262421       0.3187082     2.338428       0.3910927     2.112155       0.5498974     181.4822 15.88662 168.4343 25.33521 0.000000       0.000000 
1 1 1 5  0  46  o 180.4327 11.22193 2.280516       0.2771111     2.283382       0.3914854     2.277638       0.3923043     179.1698 16.12419 178.9194 16.18364 -0.000000      0.000000 
1 1 1 5  0  47  o 37.79015 15.33408 0.1379091      0.7839729E-01 0.1426686      0.1125176     0.1334185      0.1092937     37.32290 18.33538 36.09882 18.01331 0.000000       0.000000 
1 1 1 5  0  48  o 185.4969 11.24443 2.410451       0.2855891     2.473054       0.4039608     2.347897       0.4038074     186.5748 15.94816 181.5296 16.41860 -0.000000      0.000000 
1 1 1 5  0  49  o 70.08363 13.90940 0.3782162      0.1195818     0.5042711      0.1708369     0.2571205      0.1674425     79.94135 17.70055 50.44305 22.57521 0.000000       0.000000 
1 1 1 5  0  50  o 84.40913 12.80709 0.5271702      0.1390926     0.4503842      0.1953466     0.6061323      0.1980954     71.70893 22.47793 88.07008 18.49849 -0.000000      0.000000 
1 1 1 5  0  51  o 526.1139 11.95143 19.24023       0.8672242     19.50359       1.230447      18.98028       1.222473      527.9282 16.91848 520.7242 17.04310 0.000000       0.000000 
1 1 1 5  0  52  o 391.0877 11.55276 10.64265       0.6226438     10.80663       0.8825992     10.48018       0.8785176     392.5779 16.34613 386.5047 16.52982 -0.000000      0.000000 
1 1 1 5  0  53  o 233.8639 11.31339 3.822410       0.3633882     3.864302       0.5145814     3.780736       0.5132381     233.7003 16.12238 231.0720 16.27077 0.000000       0.000000 
1 1 1 5  0  54  o 123.5397 11.70933 1.087872       0.1956226     1.140359       0.2761842     1.035028       0.2771223     124.5085 16.95306 117.6357 18.40447 -0.000000      0.000000 
1 1 1 5  0  55  o 141.6384 11.56377 1.420672       0.2226932     1.352234       0.3151343     1.488938       0.3147375     135.7892 17.62690 143.2823 16.47308 0.000000       0.000000 
1 1 1 5  0  56  o 75.93256 13.80926 0.4383008      0.1306019     0.4258340      0.1861216     0.4503936      0.1833086     69.45673 22.05044 72.60352 21.06823 0.000000       0.000000 
1 1 1 5  0  57  o 201.5799 13.20397 2.863747       0.3639100     2.751284       0.4443277     3.092890       0.6342378     196.3167 16.66751 205.5157 23.09978 -0.000000      0.000000 
1 1 1 5  0  58  o 151.1054 16.88765 1.653908       0.3410832     1.620153       0.4808040     1.688105       0.4839402     144.4945 26.81063 148.1693 26.06283 -0.000000      0.000000 
1 1 1 5  0  59  o 67.35493 17.84679 0.3754223      0.1434080     0.4106039      0.1767893     0.3077297      0.2452271     68.49993 21.32619 54.18484 26.99175 0.000000       0.000000 
1 1 1 5  0  60  o 157.5224 11.58772 1.750615       0.2489101     1.609082       0.3500842     1.895308       0.3539722     148.6557 17.71980 162.4508 16.14601 -0.000000      0.000000 
1 1 1 5  0  61  o 100.9903 12.47774 0.7401204      0.1668672     0.7587085      0.2375633     0.7220178      0.2344396     98.93966 19.56104 95.98441 20.07469 0.000000       0.000000 
1 1 1 5  0  62  o 196.3479 11.48153 2.703286       0.3088529     2.664394       0.4355507     2.742621       0.4380277     193.2798 16.60157 196.2187 16.43189 -0.000000      0.000000 
1 1 1 5  0  63  o 79.51469 16.83433 0.4946916      0.1625776     0.4958118      0.2830524     0.4941402      0.1986060     70.69138 29.21361 76.30082 21.75281 0.000000       0.000000 
1 1 1 5  0  64  o 199.2493 16.52755 2.825846       0.4475207     2.853480       0.6320719     2.798069       0.6337111     196.9042 24.23164 194.6987 24.64687 -0.000000      0.000000 
1 1 1 5  0  65  o 309.2230 13.34881 6.684316       0.5675540     6.542815       0.6941809     6.969601       0.9856727     304.8757 16.60218 312.0001 23.17301 0.000000       0.000000 
1 1 1 5  0  66  o 125.2284 12.09750 1.118668       0.2047048     1.037681       0.2880758     1.201272       0.2909380     117.4062 19.34959 127.8313 17.39255 -0.000000      0.000000 
1 1 1 5  0  67  o 232.4606 11.51609 3.777433       0.3675824     3.639930       0.5194067     3.915395       0.5202743     226.5448 16.81714 235.3122 16.18807 0.000000       0.000000 
1 1 1 5  0  68  o 212.2617 11.55792 3.154474       0.3364623     3.348783       0.4767618     2.961677       0.4749028     217.3940 16.08480 203.8448 17.15138 -0.000000      0.000000 
1 1 1 5  0  69  o 159.1974 11.78089 1.787917       0.2557115     1.996098       0.3639699     1.585002       0.3593360     166.9049 16.13931 147.2453 18.45959 0.000000       0.000000 
1 1 1 5  0  70  o 160.2648 11.78737 1.811945       0.2576080     1.685211       0.3646456     1.938217       0.3639807     152.1844 18.01706 164.2648 16.42366 0.000000       0.000000 
1 1 1 5  0  71  o 97.94775 13.07986 0.7014342      0.1680639     0.7604996      0.2365260     0.6412038      0.2388473     99.14935 19.40035 88.14077 22.70580 -0.000000      0.000000 
1 1 1 5  0  72  o 82.10397 14.36310 0.5096371      0.1479251     0.5358482      0.2112276     0.4844098      0.2072252     79.66573 22.19537 74.37721 23.04377 0.000000       0.000000 
1 1 1 5  0  73  f 70.61505 15.91905 0.3955339      0.1354295     0.3890733      0.1895584     0.4022698      0.1935565     64.76978 23.19501 66.02167 23.35001 -0.000000      0.000000 
1 1 1 5  0  74  o 8.854566 6.429096 -0.9212507E-01 0.4358532E-01 -0.6871002E-01 0.6603283E-01 -0.1102020     0.5801960E-01 13.47869 9.441437 10.60152 7.659485 0.000000       0.000000 
1 1 1 5  0  75  o 80.18868 15.01451 0.4922121      0.1491808     0.5086254      0.2092953     0.4752615      0.2126928     76.75192 22.70872 72.75996 23.87163 -0.000000      0.000000 
1 1 1 5  0  76  o 101.8450 13.41686 0.7591215      0.1795824     0.7317547      0.2560294     0.7856242      0.2519554     95.01447 22.47449 100.0077 20.66986 0.000000       0.000000 
1 1 1 5  0  77  o 227.0839 13.63898 3.637194       0.4241346     3.793605       0.5189867     3.322668       0.7359574     230.8704 16.47250 210.6902 26.42348 -0.000000      0.000000 
1 1 1 5  0  78  o 68.33830 24.50912 0.4363356      0.2114576     0.6286806      0.3036534     0.2552367      0.2946426     81.50638 29.42960 50.45720 28.22534 0.000000       0.000000 
1 1 1 5  0  79  o 130.6769 14.88590 1.239528       0.2595987     1.271777       0.4477549     1.223199       0.3186143     123.5614 30.30204 127.6353 19.40874 -0.000000      0.000000 
1 1 1 5  0  80  o 89.66060 14.67931 0.6042495      0.1671032     0.5662858      0.2405672     0.6396456      0.2322893     80.01185 24.85579 88.13505 22.06502 0.000000       0.000000 
1 1 1 5  0  81  o 67.62778 17.80451 0.3792836      0.1436479     0.2892520      0.1973547     0.4807233      0.2094853     52.71514 24.47268 73.42842 23.44626 -0.000000      0.000000 
1 1 1 5  0  82  o 127.4830 12.96156 1.168356       0.2227579     1.390419       0.3198853     0.9592882      0.3103840     137.3575 17.66852 109.8029 23.27826 0.000000       0.000000 
1 1 1 5  0  83  o 24.23709 15.09310 0.2714883E-01  0.1022926     0.8650526E-01  0.1223243     -0.1108882     0.1865420     31.01918 17.84259 25.08731 17.14610 -0.000000      0.000000 
1 1 1 5  0  84  o 215.4327 17.16348 3.327943       0.5031149     2.950925       0.7114114     3.705174       0.7116126     196.6230 27.80574 224.0257 23.60379 0.000000       0.000000 
1 1 1 5  0  85  o 76.32223 20.03219 0.4849081      0.1824065     0.6701729      0.3015879     0.3780458      0.2290497     85.28699 28.66958 60.78190 26.38954 -0.000000      0.000000 
1 1 1 5  0  86  o 32.56215 17.49501 0.1070340      0.1084995     0.1850625      0.1596865     0.4012046E-01  0.1478762     42.06528 21.60031 29.07021 18.12243 0.000000       0.000000 
1 1 1 5  0  87  o 84.75775 16.52384 0.5566525      0.1723234     0.4583624      0.2399155     0.6614025      0.2476737     68.52593 26.62254 88.78722 23.38228 -0.000000      0.000000 
1 1 1 5  0  88  o 175.1357 12.51178 2.173520       0.2990260     2.066467       0.4243213     2.279137       0.4214665     167.8798 18.92347 177.2294 17.62191 0.000000       0.000000 
1 1 1 5  0  89  o 96.53302 15.41206 0.7003564      0.1897403     0.4922371      0.2640924     0.9224024      0.2727855     70.43278 28.06993 109.2069 20.09628 -0.000000      0.000000 
1 1 1 5  0  90  o 44.94175 20.42585 0.2077048      0.1371764     0.3443609      0.1982554     0.8219106E-01  0.1900011     58.51927 24.48091 34.66519 21.11458 0.000000       0.000000 
1 1 1 5  0  91  o 134.0130 13.64339 1.295906       0.2464708     1.181324       0.3458669     1.414130       0.3513218     123.1116 22.59146 137.2015 19.72855 -0.000000      0.000000 
1 1 1 5  0  92  o 180.1626 12.88440 2.306419       0.3167623     2.242403       0.4458010     2.371697       0.4501700     174.6654 19.06039 180.0453 18.55916 -0.000000      0.000000 
1 1 1 5  0  93  o 70.58056 20.96338 0.4341944      0.1777687     0.1545722E-01  0.2494010     0.8666512      0.2534538     34.70313 22.39155 105.7807 19.23709 -0.000000      0.000000 
1 1 1 5  0  94  o 113.5669 15.21245 0.9563473      0.2265439     0.7185614      0.3175033     1.202955       0.3233393     87.48676 29.42024 125.2012 20.30454 0.000000       0.000000 
1 1 1 5  0  95  o 114.4195 15.31546 0.9733586      0.2298122     1.102914       0.3268976     0.8467630      0.3231421     117.9414 22.43149 98.07812 27.56444 -0.000000      0.000000 
1 1 1 5  0  96  o 126.4201 17.80409 1.207307       0.2930692     0.8430862      0.5209551     1.375943       0.3544811     84.17765 39.70234 133.5744 20.69908 0.000000       0.000000 
1 1 1 5  0  97  o 76.64260 29.88812 0.6034124      0.3019240     0.8598310      0.4118708     0.3055682      0.4438955     90.54888 34.80690 54.44372 32.72157 -0.000000      0.000000 
1 1 1 5  0  98  o 79.00475 24.66555 0.5728651      0.2359671     0.2073713      0.3988145     0.7697341      0.2926980     48.58651 30.05466 92.58068 26.41913 -0.000000      0.000000 
1 1 1 5  0  99  o 74.29900 22.02539 0.4942597      0.1965620     0.4286957      0.2857898     0.5531171      0.2707786     60.82903 29.32454 73.27870 28.23609 0.000000       0.000000 
1 1 1 5  0  100 o 77.08250 21.77937 0.5256207      0.2007453     0.3094273      0.2747841     0.7730758      0.2939805     51.25473 27.74477 91.79990 26.71571 -0.000000      0.000000 
1 1 1 5  0  101 o 39.00372 20.94992 0.1675419      0.1555417     0.1331728      0.2270347     0.1979424      0.2135248     38.37714 23.23282 42.38642 23.90012 0.000000       0.000000 
1 1 1 5  0  102 o 56.33691 24.48717 0.3443266      0.1972087     0.3843542      0.2482810     0.2759056      0.3246072     57.55857 27.37886 48.94878 28.66298 -0.000000      0.000000 
1 1 1 5  0  103 o 26.85399 17.84054 -0.2631776E-01 0.1763812     -0.1787430     0.2313809     0.1851256      0.2725186     25.77005 17.96718 42.66373 25.64003 0.000000       0.000000 
1 1 1 5  0  104 o 56.03146 24.91109 0.3475371      0.2039331     0.7829373      0.3519669     0.1274945      0.2502135     85.44867 31.97992 38.66827 23.86944 -0.000000      0.000000 
1 1 1 5  0  105 o 98.78437 17.98946 0.7787397      0.2212857     0.9657675      0.3155874     0.5978467      0.3103683     105.1247 25.05363 72.68706 30.65090 0.000000       0.000000 
1 1 1 5  0  106 o 37.36276 20.90560 0.1514902      0.1616822     -0.1285243     0.2320509     0.4156847      0.2254004     27.19201 18.72324 61.73115 26.12868 -0.000000      0.000000 
1 1 1 5  0  107 o 45.35248 22.78519 0.2345257      0.1754586     0.3679139      0.2559416     0.1162535      0.2410035     55.50328 27.58747 37.69894 23.33903 -0.000000      0.000000 
1 1 1 5  0  108 o 49.41781 23.72554 0.2775759      0.1868817     0.3884351E-01  0.2698877     0.4974825      0.2590279     35.36089 22.99238 67.32115 27.96607 -0.000000      0.000000 
1 1 1 5  0  109 o 89.92976 20.84170 0.6858435      0.2251507     0.8314034      0.3155481     0.5348781      0.3213538     93.17934 28.12182 66.15211 31.18435 0.000000       0.000000 
1 1 1 5  0  110 o 55.36150 24.18722 0.3388840      0.1923716     0.7398582E-01  0.2739452     0.5965934      0.2702025     36.69974 23.59978 75.40198 27.95235 -0.000000      0.000000 
1 1 1 5  0  111 o 160.4246 14.30225 1.921955       0.3110290     2.088949       0.4411471     1.756893       0.4385869     161.2023 20.76581 144.3061 24.00895 0.000000       0.000000 
1 1 1 5  0  112 o 96.45351 19.49169 0.7804809      0.2299581     0.8452641      0.3250881     0.7156005      0.3253317     90.17800 29.47123 78.39857 31.13908 -0.000000      0.000000 
1 1 1 5  0  113 o 129.0771 15.67990 1.303014       0.2684780     1.279756       0.3798877     1.326223       0.3794832     116.3352 27.20733 119.7461 26.21068 -0.000000      0.000000 
1 1 1 5  0  114 o 106.4788 18.01199 0.9451696      0.2420758     1.214786       0.3452682     0.6844888      0.3394983     113.8339 25.11077 69.89577 32.11517 -0.000000      0.000000 
1 1 1 5  0  115 o 75.43030 26.62862 0.6428112      0.2520090     0.6990630      0.4585186     0.6184641      0.3016563     58.56773 34.16886 65.94650 30.27386 0.000000       0.000000 
1 1 1 5  0  116 o 54.75999 28.92998 0.5075890      0.2923524     0.2882189      0.3983834     0.7635926      0.4303637     40.86828 27.03767 59.13873 33.69637 -0.000000      0.000000 
1 1 1 5  0  117 o 29.23249 19.51988 0.6864733E-01  0.2158761     -0.1088851     0.3253336     0.2083085      0.2885545     28.05761 19.90801 35.63515 23.38272 0.000000       0.000000 
1 1 1 5  0  118 o 31.39854 20.69830 0.1644756      0.2301025     0.1266036      0.3070104     0.2130183      0.3475811     30.66622 21.21906 32.92520 22.73264 -0.000000      0.000000 
1 1 1 5  0  119 o 30.78893 20.37732 0.2176307      0.2266418     0.3844662      0.3606804     0.1087723      0.2913462     32.90462 22.82284 27.43810 19.34571 0.000000       0.000000 
1 1 1 5  0  120 f 21.63608 15.50007 -0.1132486E-01 0.2159954     -0.1132486E-01 0.2159954     0.000000       0.000000      21.63608 15.50007 21.63608 15.50007 -0.000000      0.000000 
1 1 1 5  0  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  0   o 379.8374 23.11670 10.09982       1.202157      10.09982       1.202157      0.000000       0.000000      379.8374 23.11670 379.8374 23.11670 0.000000       0.000000 
1 1 1 5  1  1   o 587.3815 14.10348 23.87209       1.143891      24.35654       1.985031      23.63123       1.399653      592.0534 24.28110 584.0856 17.35425 7.967773       29.84530 
1 1 1 5  1  2   o 366.7311 13.19437 9.303127       0.6681508     9.255682       0.8191809     9.397422       1.154832      365.6170 16.22615 367.1851 22.89091 -1.568115      28.05854 
1 1 1 5  1  3   o 528.0726 13.76668 19.29281       1.003832      17.88835       1.211238      22.37333       1.793848      508.1873 17.26107 567.6354 22.88644 -59.44809      28.66590 
1 1 1 5  1  4   o 374.3168 13.09781 9.691792       0.6769802     9.895923       0.8353647     9.301228       1.155501      378.0632 16.00198 365.2682 23.02763 12.79501       28.04167 
1 1 1 5  1  5   o 384.2729 13.21502 10.21463       0.7012060     9.247076       0.8509851     12.26093       1.237569      365.3999 16.86613 419.8133 21.42014 -54.41336      27.26333 
1 1 1 5  1  6   o 519.4335 10.63296 18.65139       0.7626443     18.95575       1.209068      18.45028       0.9828277     523.1715 16.73665 516.4059 13.78314 6.765625       21.68157 
1 1 1 5  1  7   o 365.4491 10.20480 9.231341       0.5149552     9.598439       0.8219271     8.994134       0.6607038     372.3314 15.98695 360.5792 13.26992 11.75223       20.77675 
1 1 1 5  1  8   o 333.0333 9.272276 7.664794       0.4263948     7.944123       0.6083155     7.394998       0.5978474     338.8902 12.99966 326.9562 13.24228 11.93396       18.55664 
1 1 1 5  1  9   o 398.7554 9.410869 10.98889       0.5181723     11.20990       0.7372305     10.77312       0.7284609     402.5475 13.26320 394.6209 13.36867 7.926605       18.83172 
1 1 1 5  1  10  o 376.8928 9.330193 9.816860       0.4855640     10.60671       0.6948558     9.063075       0.6788077     391.5883 12.85071 361.9341 13.58248 29.65414       18.69825 
1 1 1 5  1  11  o 257.4052 9.064834 4.578786       0.3221923     4.798968       0.4565191     4.360276       0.4547833     263.4081 12.55139 250.7121 13.18315 12.69604       18.20255 
1 1 1 5  1  12  o 530.4022 9.065365 19.44150       0.6639396     19.07497       0.8766807     19.93447       1.016709      525.1851 12.08902 536.7571 13.71768 -11.57196      18.28440 
1 1 1 5  1  13  o 978.1887 9.994639 66.13913       1.349981      67.23148       1.928634      65.08981       1.890268      985.6548 14.17056 969.8375 14.11518 15.81732       20.00108 
1 1 1 5  1  14  o 524.6038 9.058455 19.01912       0.6561807     20.04670       0.8765773     17.70939       0.9896338     538.4086 11.79072 505.8652 14.16778 32.54340       18.43223 
1 1 1 5  1  15  o 558.8971 9.781125 21.59070       0.7548465     21.28910       1.060915      21.89993       1.074238      554.6620 13.85206 562.5651 13.82897 -7.903137      19.57344 
1 1 1 5  1  16  o 1139.187 13.47557 89.79436       2.119728      90.93761       3.392665      89.06229       2.714860      1144.492 21.46794 1133.720 17.34218 10.77197       27.59752 
1 1 1 5  1  17  o 1110.235 12.17985 85.25581       1.867217      83.83885       2.604295      86.75474       2.678559      1099.994 17.14597 1118.914 17.33670 -18.92053      24.38330 
1 1 1 5  1  18  o 1200.224 11.69921 99.62504       1.938906      97.14501       2.513874      103.2667       3.046233      1184.463 15.37036 1220.530 18.07493 -36.06763      23.72659 
1 1 1 5  1  19  o 466.2240 8.213141 15.01987       0.5287397     15.44170       0.7509654     14.60519       0.7445774     472.5322 11.50934 459.5399 11.73407 12.99231       16.43634 
1 1 1 5  1  20  o 750.9948 9.668461 38.98535       1.002611      39.78347       1.338322      37.96447       1.513614      758.3042 12.78143 740.5017 14.80305 17.80249       19.55748 
1 1 1 5  1  21  o 989.0460 11.51158 67.65354       1.572133      67.01438       2.211604      68.30644       2.235250      983.5141 16.28503 992.9463 16.30280 -9.432190      23.04308 
1 1 1 5  1  22  o 370.7392 9.277432 9.500421       0.4749352     9.176741       0.8182466     9.664873       0.5832365     363.9356 16.28252 373.8307 11.29878 -9.895172      19.81876 
1 1 1 5  1  23  o 327.4794 9.149532 7.412588       0.4137337     7.412420       0.5851825     7.412755       0.5850331     327.2892 12.94856 327.2968 12.94496 -0.7629395E-02 18.30948 
1 1 1 5  1  24  o 360.3219 8.526094 8.972827       0.4242080     8.959568       0.5603755     8.990621       0.6492246     359.9192 11.27551 360.4345 13.04460 -0.5153198     17.24235 
1 1 1 5  1  25  o 542.3211 8.400149 20.32641       0.6290447     20.06791       0.8855205     20.58974       0.8937435     538.5864 11.90708 545.5480 11.86429 -6.961609      16.80893 
1 1 1 5  1  26  o 687.3157 8.830839 32.65286       0.8381007     32.93163       1.188882      32.37747       1.181657      689.8470 12.48096 684.0144 12.51089 5.832642       17.67192 
1 1 1 5  1  27  o 458.5787 8.171928 14.53376       0.5174596     14.67473       0.7331633     14.39383       0.7304412     460.5653 11.52847 456.1306 11.59733 4.434662       16.35248 
1 1 1 5  1  28  o 531.2536 8.349322 19.50694       0.6124789     19.79193       0.8696853     19.22650       0.8627088     534.8297 11.77629 527.1271 11.85253 7.702576       16.70819 
1 1 1 5  1  29  o 585.8232 8.501983 23.72229       0.6877407     23.97001       0.9764112     23.47839       0.9688575     588.5260 12.01515 582.4558 12.04645 6.070190       17.01413 
1 1 1 5  1  30  o 255.5897 7.807447 4.514891       0.2755437     4.534177       0.3901221     4.495694       0.3892345     256.0020 11.03619 254.9123 11.05815 1.089737       15.62307 
1 1 1 5  1  31  o 461.2244 8.191165 14.70451       0.5216700     14.94898       0.7405907     14.46376       0.7349472     464.7697 11.53991 457.1550 11.64273 7.614746       16.39276 
1 1 1 5  1  32  o 189.8604 7.769533 2.491517       0.2036888     2.515410       0.2884089     2.467740       0.2877113     190.3440 11.02031 188.5169 11.10171 1.827042       15.64273 
1 1 1 5  1  33  o 250.8965 7.822495 4.351284       0.2710053     4.326756       0.3833594     4.375788       0.3831595     250.0365 11.10362 251.4530 11.03532 -1.416489      15.65467 
1 1 1 5  1  34  o 447.8543 8.175075 13.86689       0.5055527     14.06612       0.7170813     13.67000       0.7128564     450.7546 11.52100 444.3521 11.61815 6.402527       16.36199 
1 1 1 5  1  35  o 518.9448 8.344688 18.62111       0.5979561     18.89864       0.8489043     18.34780       0.8424083     522.4086 11.76821 514.7278 11.85242 7.680786       16.70242 
1 1 1 5  1  36  o 315.7256 9.148727 6.895467       0.3988489     6.811285       0.5633385     6.980082       0.5647793     313.4839 13.01416 317.3564 12.88824 -3.872498      18.31598 
1 1 1 5  1  37  o 160.2070 9.960414 1.783199       0.2192508     1.733407       0.3455591     1.816750       0.2836590     157.1310 16.15674 161.3826 12.83528 -4.251556      20.63455 
1 1 1 5  1  38  o 209.4751 9.023376 3.036114       0.2609993     3.057774       0.3691894     3.014472       0.3690281     209.6022 12.81763 208.0959 12.90641 1.506256       18.18975 
1 1 1 5  1  39  o 100.8938 8.048523 0.7086082      0.1111961     0.7130907      0.1570821     0.7041060      0.1574286     100.7878 11.49256 100.1264 11.60165 0.6614380      16.33025 
1 1 1 5  1  40  o 360.4422 8.010358 8.988132       0.3986810     8.975780       0.5636403     9.000499       0.5640001     359.8242 11.34420 360.3204 11.33580 -0.4962158     16.03718 
1 1 1 5  1  41  o 71.83261 8.449822 0.3620296      0.8221009E-01 0.3914643      0.1162139     0.3325454      0.1163113     74.22871 11.72788 68.10683 12.83871 6.121880       17.38895 
1 1 1 5  1  42  o 150.5974 9.153460 1.576555       0.1894420     1.718217       0.2689008     1.436959       0.2669328     156.7970 12.52437 143.1205 13.67348 13.67648       18.54249 
1 1 1 5  1  43  o 254.2455 9.109882 4.478181       0.3198188     4.567440       0.5550003     4.433806       0.3913240     255.4151 15.81430 252.7604 11.21217 2.654770       19.38568 
1 1 1 5  1  44  o 363.0590 9.293261 9.135380       0.4658898     9.317536       0.6604764     8.954988       0.6572708     365.9770 13.06970 358.7448 13.26847 7.232239       18.62442 
1 1 1 5  1  45  o 212.9308 7.869310 3.139543       0.2313732     3.314291       0.3279637     2.966388       0.3264637     218.4843 10.87095 206.3153 11.50530 12.16899       15.82876 
1 1 1 5  1  46  o 144.3953 7.943114 1.448530       0.1577643     1.469993       0.2231781     1.427091       0.2230468     145.0179 11.23294 142.8463 11.40311 2.171631       16.00656 
1 1 1 5  1  47  o 262.4132 7.920236 4.771228       0.2869867     4.786221       0.4058623     4.756235       0.4058587     262.3576 11.20333 261.5286 11.23874 0.8290405      15.86896 
1 1 1 5  1  48  o 361.5005 8.062831 9.058844       0.4024709     8.908629       0.5678324     9.210490       0.5705368     357.7501 11.49483 363.7957 11.35764 -6.045624      16.15943 
1 1 1 5  1  49  o 285.9790 7.963232 5.670705       0.3144571     5.723440       0.4450214     5.618119       0.4443984     286.6978 11.24135 284.0284 11.33112 2.669434       15.96127 
1 1 1 5  1  50  o 175.6009 7.946342 2.138597       0.1926779     2.192389       0.2726989     2.084971       0.2722770     177.0548 11.21207 172.5894 11.49075 4.465347       16.05452 
1 1 1 5  1  51  o 307.6506 8.012290 6.566678       0.3403708     6.462976       0.4804642     6.671156       0.4822549     304.4448 11.42917 309.3461 11.29000 -4.901337      16.06518 
1 1 1 5  1  52  o 344.3243 8.085818 8.228946       0.3844409     8.362619       0.5445117     8.096085       0.5428551     346.2105 11.39014 340.6007 11.54251 5.609802       16.21619 
1 1 1 5  1  53  o 197.3055 7.980069 2.702348       0.2174122     2.721939       0.3075466     2.682777       0.3073880     197.1606 11.34459 195.7133 11.42404 1.447342       16.09995 
1 1 1 5  1  54  o 278.0195 8.015071 5.366892       0.3076952     5.292413       0.4344973     5.441817       0.4357990     275.2797 11.43076 279.1731 11.30511 -3.893433      16.07693 
1 1 1 5  1  55  o 318.7482 8.069578 7.056668       0.3551702     7.173238       0.5029379     6.940701       0.5016379     320.4317 11.36687 315.1424 11.52778 5.289337       16.18936 
1 1 1 5  1  56  o 178.0909 8.586122 2.204812       0.2111431     2.167435       0.2791710     2.254769       0.3227500     175.7198 11.57039 178.8139 13.16412 -3.094055      17.52621 
1 1 1 5  1  57  o 340.2990 10.28711 8.073565       0.4833839     8.500833       0.7688090     7.794230       0.6216258     346.7793 16.05563 333.1898 13.51137 13.58942       20.98429 
1 1 1 5  1  58  o 372.7797 9.445724 9.671731       0.4862119     9.539608       0.6866508     9.804594       0.6885682     368.6943 13.48750 373.8463 13.33877 -5.151978      18.96933 
1 1 1 5  1  59  o 276.9350 8.615382 5.329727       0.3294507     5.341626       0.4362621     5.313936       0.5025696     276.5611 11.42400 275.3112 13.22009 1.249878       17.47222 
1 1 1 5  1  60  o 149.2276 8.173247 1.550930       0.1677750     1.583090       0.2379218     1.519121       0.2366229     150.1263 11.56639 147.0022 11.75556 3.124054       16.49165 
1 1 1 5  1  61  o 157.6853 8.154026 1.730879       0.1769348     1.702606       0.2505274     1.759015       0.2499208     155.7053 11.73869 158.3279 11.51035 -2.622635      16.44034 
1 1 1 5  1  62  o 188.0855 8.625814 2.457324       0.2240234     2.461729       0.2969388     2.451505       0.3413089     187.4659 11.52701 186.6242 13.33246 0.8417664      17.62459 
1 1 1 5  1  63  o 108.8890 10.78991 0.8340974      0.1600975     0.7166789      0.2544360     0.9110562      0.2059866     98.83452 19.33622 113.3004 13.42776 -14.46590      23.54133 
1 1 1 5  1  64  o 235.9252 10.26878 3.874841       0.3345270     3.622779       0.5257780     4.046281       0.4336163     225.9210 16.97835 240.1178 13.12779 -14.19685      21.46167 
1 1 1 5  1  65  o 298.2200 8.709010 6.176673       0.3586274     6.329746       0.4749297     5.973596       0.5470299     301.2539 11.41718 292.0490 13.56492 9.204895       17.73017 
1 1 1 5  1  66  o 131.7505 8.367670 1.209769       0.1514386     1.222449       0.2145429     1.197179       0.2137920     131.8140 11.91615 130.4151 12.00689 1.398895       16.91626 
1 1 1 5  1  67  o 203.1281 8.126189 2.863506       0.2279266     2.960947       0.3230298     2.766896       0.3216484     205.7317 11.41594 198.7723 11.77135 6.959366       16.39782 
1 1 1 5  1  68  o 169.0357 8.186461 1.983273       0.1910789     2.076300       0.2708882     1.891149       0.2695694     172.1470 11.46152 164.1450 11.97601 8.001984       16.57683 
1 1 1 5  1  69  o 155.6264 8.287408 1.686194       0.1774485     1.567010       0.2508453     1.805576       0.2510551     149.2536 12.28043 160.4761 11.40400 -11.22247      16.75888 
1 1 1 5  1  70  o 142.0174 8.367798 1.405499       0.1633681     1.513448       0.2318320     1.299018       0.2302510     146.7979 11.52985 135.7412 12.42208 11.05670       16.94832 
1 1 1 5  1  71  o 150.1476 8.342963 1.570903       0.1722905     1.648839       0.2445098     1.494046       0.2428102     153.1864 11.64671 145.6538 12.18470 7.532562       16.85565 
1 1 1 5  1  72  o 117.1549 8.621517 0.9592180      0.1384905     0.9670783      0.1966661     0.9514860      0.1950542     116.8972 12.37195 115.9411 12.37491 0.9561005      17.49867 
1 1 1 5  1  73  o 59.70576 10.65372 0.2561008      0.8461083E-01 0.3134602      0.1214962     0.2020864      0.1179004     65.58116 13.85100 52.90651 15.28217 12.67465       20.62511 
1 1 1 5  1  74  o 213.7928 8.237958 3.177697       0.2431927     3.344646       0.3450382     3.012883       0.3428254     218.3353 11.48509 207.0265 12.04454 11.30888       16.64266 
1 1 1 5  1  75  o 141.5984 8.529075 1.400149       0.1659842     1.420087       0.2349010     1.380266       0.2345737     141.8002 12.11314 139.7413 12.28138 2.058899       17.24994 
1 1 1 5  1  76  o 270.8474 8.835034 5.110208       0.3304235     4.941552       0.4356753     5.338572       0.5069634     265.3849 11.88910 275.2714 13.33760 -9.886475      17.86735 
1 1 1 5  1  77  o 261.0804 10.53515 4.768738       0.3797981     4.309870       0.5984415     5.078204       0.4914549     244.6453 17.83815 268.3896 13.26111 -23.74426      22.22739 
1 1 1 5  1  78  o 128.1889 10.12762 1.155769       0.1778051     1.111888       0.2528439     1.198699       0.2500874     124.3536 15.03001 129.4353 14.22747 -5.081718      20.69594 
1 1 1 5  1  79  o 161.9296 9.120190 1.835038       0.2030936     1.881913       0.2693921     1.773317       0.3091255     163.1866 12.04039 157.6171 14.36104 5.569550       18.74061 
1 1 1 5  1  80  o 102.4233 9.228210 0.7379509      0.1291116     0.7504491      0.1834948     0.7256958      0.1817012     102.2998 13.30496 100.5388 13.42368 1.761017       18.90019 
1 1 1 5  1  81  o 61.80872 11.36913 0.2762927      0.9345651E-01 0.2621738      0.1332624     0.2899570      0.1310991     59.59833 15.89945 62.64352 15.29009 -3.045197      22.05854 
1 1 1 5  1  82  o 148.7616 9.304893 1.551290       0.1901743     1.539009       0.2528579     1.567284       0.2885584     147.2653 12.55468 148.0385 14.29409 -0.7731628     19.02474 
1 1 1 5  1  83  o 84.92941 12.50468 0.5186638      0.1422563     0.4920645      0.2222995     0.5371107      0.1851252     80.72558 20.03678 85.38407 16.29636 -4.658493      25.82719 
1 1 1 5  1  84  o 159.1546 10.02364 1.779820       0.2191584     1.823039       0.3087134     1.735910       0.3111748     159.7286 14.14322 155.6459 14.65109 4.082733       20.36382 
1 1 1 5  1  85  o 26.42577 11.24857 0.1303229E-02  0.7196906E-01 -0.4838508E-01 0.9395666E-01 0.7184632E-01  0.1119509     26.56932 12.00627 38.52340 14.86306 -11.95408      19.10657 
1 1 1 5  1  86  o 77.95617 10.72744 0.4340033      0.1124149     0.3461461      0.1582223     0.5235607      0.1597461     68.13454 16.89964 84.84419 14.13262 -16.70965      22.03017 
1 1 1 5  1  87  o 190.4688 8.647045 2.531722       0.2274204     2.347833       0.3203163     2.718639       0.3229419     181.8368 12.83984 196.0708 11.98572 -14.23399      17.56471 
1 1 1 5  1  88  o 77.60085 11.09278 0.4312986      0.1154802     0.3362626      0.1626930     0.5277987      0.1639414     67.07545 17.41284 85.05908 14.47682 -17.98363      22.64476 
1 1 1 5  1  89  o 80.98466 10.84096 0.4685208      0.1181877     0.5489551      0.1674917     0.3887537      0.1667958     86.74792 14.49428 72.11340 17.02382 14.63453       22.35832 
1 1 1 5  1  90  o 42.35544 13.64314 0.1247746      0.9069992E-01 0.1123853      0.1285344     0.1370620      0.1280054     43.75993 16.13339 46.06818 16.21199 -2.308247      22.87170 
1 1 1 5  1  91  o 47.48876 13.96154 0.1637519      0.9763226E-01 0.1211413      0.1381063     0.2063213      0.1380394     45.27920 16.71771 53.49326 16.78618 -8.214058      23.69088 
1 1 1 5  1  92  o 105.4341 10.30749 0.7887839      0.1481430     0.8482749      0.2102275     0.7301030      0.2087914     108.0335 14.45505 99.65469 15.69216 8.378860       21.33524 
1 1 1 5  1  93  o 81.83591 11.63876 0.4829598      0.1278131     0.4526751      0.1818643     0.5125167      0.1796658     77.37186 17.43981 82.82535 16.29001 -5.453484      23.86444 
1 1 1 5  1  94  f 117.1363 10.07754 0.9743807      0.1614118     0.8362957      0.2283683     1.112230       0.2281734     106.1883 16.07782 123.8766 13.56095 -17.68833      21.03320 
1 1 1 5  1  95  o 152.7046 9.489063 1.650389       0.1990945     1.689429       0.2815417     1.611337       0.2815827     152.6309 13.49780 148.8459 13.85964 3.785049       19.34632 
1 1 1 5  1  96  o 68.50042 15.73987 0.3575613      0.1457524     0.4816689      0.2018710     0.2224117      0.2106599     78.46746 18.86412 56.80245 20.69746 21.66501       28.00428 
1 1 1 5  1  97  o 55.79843 18.97126 0.2307405      0.1747146     0.1249979      0.2579373     0.3203859      0.2374942     52.91196 21.81956 64.35242 22.11461 -11.44045      31.06685 
1 1 1 5  1  98  o 91.39837 13.88209 0.6248844      0.1696890     0.6098210      0.2497316     0.6378043      0.2312820     86.24152 21.13567 89.36740 19.30643 -3.125877      28.62612 
1 1 1 5  1  99  o 114.9185 10.72540 0.9576041      0.1682259     0.9529762      0.2384537     0.9621896      0.2373648     111.5719 15.93017 112.2368 15.74945 -0.6648560     22.40124 
1 1 1 5  1  100 o 86.12583 12.26377 0.5515636      0.1417269     0.5098034      0.2010644     0.5928025      0.1998057     79.25424 18.67852 86.48514 17.33497 -7.230896      25.48310 
1 1 1 5  1  101 o 99.76458 11.36600 0.7323296      0.1537798     0.7825357      0.2170782     0.6817523      0.2178790     100.1495 16.25476 92.36992 17.72699 7.779533       24.05126 
1 1 1 5  1  102 o 74.58635 14.81417 0.4324147      0.1471926     0.4594602      0.2089124     0.4057543      0.2074193     73.90266 19.98963 69.30566 20.34252 4.597000       28.52023 
1 1 1 5  1  103 o 88.02219 16.99562 0.6188304      0.1990897     0.5630168      0.2735188     0.6817223      0.2903447     79.21016 23.39150 87.18118 23.55912 -7.971016      33.19931 
1 1 1 5  1  104 o 36.04501 14.91706 0.4665441E-01  0.1211598     -0.1218188E-01 0.1664205     0.1130106      0.1767360     37.07472 16.41799 45.37809 18.30256 -8.303368      24.58727 
1 1 1 5  1  105 o 65.76057 14.25948 0.3371063      0.1257512     0.5035284      0.1783855     0.1727083      0.1772974     79.17686 16.83461 49.63814 18.81309 29.53872       25.24552 
1 1 1 5  1  106 o 42.91474 14.91387 0.1329808      0.1081591     0.2465572      0.1547142     0.2441332E-01  0.1512642     55.43983 17.81460 37.60477 16.16455 17.83507       24.05520 
1 1 1 5  1  107 o 40.96922 14.71729 0.1157934      0.1060101     0.1362160      0.1518422     0.9637275E-01  0.1480707     45.54583 17.37474 42.19053 16.84534 3.355301       24.20015 
1 1 1 5  1  108 o 37.66628 14.53042 0.8243316E-01  0.1069848     0.7279775E-01  0.1542548     0.9136394E-01  0.1485075     40.92882 16.87529 41.78952 16.80469 -0.8606987     23.81540 
1 1 1 5  1  109 o 65.85057 14.46463 0.3409529      0.1279279     0.2817355      0.1828137     0.3977754      0.1790788     58.28824 19.40565 68.93984 18.44878 -10.65160      26.77568 
1 1 1 5  1  110 o 52.16815 15.33626 0.2181229      0.1178089     -0.7066017E-01 0.1671187     0.5033955      0.1660998     34.00299 15.61220 79.25089 15.73345 -45.24789      22.16488 
1 1 1 5  1  111 o 79.01878 12.85305 0.4827732      0.1354206     0.6054402      0.1921292     0.3616656      0.1909040     85.61994 16.85105 63.92136 19.68873 21.69858       25.91532 
1 1 1 5  1  112 o 68.78191 14.09802 0.3814507      0.1293988     0.3245568      0.1834078     0.4378385      0.1825900     59.85489 19.41347 70.22603 18.55220 -10.37114      26.85269 
1 1 1 5  1  113 o 72.61889 13.78336 0.4288530      0.1331555     0.1870021      0.1886054     0.6691967      0.1880167     48.01141 19.06128 89.07082 15.86881 -41.05941      24.80225 
1 1 1 5  1  114 o 85.73890 13.48090 0.6033317      0.1543329     0.5163343      0.2036020     0.7208338      0.2366201     72.20676 19.81897 85.46492 20.34385 -13.25816      28.40183 
1 1 1 5  1  115 o 58.88760 19.47645 0.3687655      0.1842610     0.1978501      0.2656431     0.5272549      0.2558043     46.72802 20.71532 65.02773 22.91431 -18.29971      30.88997 
1 1 1 5  1  116 o 24.62120 11.89097 -0.1192955     0.1221025     -0.5148493     0.1784525     0.2289104      0.1674318     21.96362 11.15624 46.04259 18.06062 -24.07898      21.22846 
1 1 1 5  1  117 o 25.83519 12.36111 -0.7301578E-01 0.1250230     -0.1305526     0.1829717     -0.2262638E-01 0.1712303     28.61707 13.98618 31.08096 14.75638 -2.463896      20.33135 
1 1 1 5  1  118 o 26.43425 12.60398 -0.3039314E-01 0.1276424     -0.2141728     0.1852603     0.1356882      0.1761141     25.44020 12.71633 34.93077 16.03401 -9.490572      20.46447 
1 1 1 5  1  119 o 22.45487 11.03991 -0.8786600E-01 0.1193232     0.1179298      0.1756807     -0.2641071     0.1625770     31.04342 14.79753 21.75992 11.00848 9.283499       18.44325 
1 1 1 5  1  120 o 21.87166 10.96101 -0.1001291     0.1418252     -0.1401631     0.2321693     -0.7629650E-01 0.1791330     24.11154 12.29230 23.67942 11.92699 0.4321156      17.12757 
1 1 1 5  1  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  133 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  0   o 236.9950 16.00877 3.936295       0.5183971     4.221319       0.7340845     3.652756       0.7321677     243.9468 22.21648 225.8587 24.17550 0.000000       0.000000 
1 1 1 5  2  1   o 238.7073 13.02324 3.953478       0.4276403     3.942131       0.5243278     3.976024       0.7390696     238.0611 16.04414 238.1961 22.74701 -0.1349945     27.83597 
1 1 1 5  2  2   f 668.3923 12.56466 30.90071       1.159632      31.71310       1.350957      28.62636       2.260417      676.9208 14.45325 641.4885 25.51889 35.43237       29.32764 
1 1 1 5  2  3   o 591.2931 12.16833 24.18040       0.9935094     24.41507       1.148195      23.48122       1.981906      593.9897 13.99905 581.1201 24.69898 12.86957       28.39037 
1 1 1 5  2  4   o 449.0851 11.65530 13.94618       0.7227532     13.77072       0.8320408     14.48558       1.458857      446.1298 13.50658 456.0290 23.24480 -9.899200      26.88398 
1 1 1 5  2  5   o 666.0427 14.43469 30.70251       1.327540      30.31630       1.617784      31.49870       2.322843      661.4320 17.71321 672.9833 24.99640 -11.55127      30.63622 
1 1 1 5  2  6   o 838.1870 15.42035 48.64146       1.784733      48.50211       2.180376      48.92442       3.106884      836.4019 18.87897 838.2442 26.84211 -1.842346      32.81637 
1 1 1 5  2  7   o 546.6896 12.00656 20.66958       0.9063532     20.63631       1.283464      20.70268       1.280097      545.7782 17.03058 546.6631 16.95841 -0.8849487     24.03390 
1 1 1 5  2  8   o 279.4299 11.20644 5.398884       0.4323930     5.450562       0.6134763     5.347869       0.6095348     280.1012 15.92732 277.4358 15.97859 2.665405       22.56091 
1 1 1 5  2  9   o 519.8129 11.95554 18.68733       0.8581321     19.42750       1.226277      17.97704       1.201273      529.5682 16.76983 509.3841 17.07885 20.18414       23.93563 
1 1 1 5  2  10  o 429.6548 11.60356 12.76599       0.6884128     12.80468       0.9735788     12.72730       0.9735467     429.9568 16.39866 428.6514 16.44806 1.305328       23.22616 
1 1 1 5  2  11  o 493.9212 13.86220 16.88261       0.9454268     15.76989       1.609107      17.46926       1.168362      475.5535 24.58869 502.1492 16.85027 -26.59567      29.80831 
1 1 1 5  2  12  o 454.0954 16.77279 14.28578       1.051696      16.95086       1.535827      11.93266       1.443142      493.9586 22.51717 413.3315 25.40867 80.62720       33.95031 
1 1 1 5  2  13  o 592.2224 24.53402 24.39585       2.006280      24.39585       2.006280      0.000000       0.000000      592.2224 24.53402 ?        ?        0.000000       24.53402 
1 1 1 5  2  14  o 541.3804 14.07974 20.28596       1.052532      18.68483       1.257544      24.03130       1.923336      519.2197 17.54019 587.9026 23.69255 -68.68298      29.47872 
1 1 1 5  2  15  o 773.3574 13.17046 41.38348       1.406433      37.83863       1.912396      45.55921       2.075608      738.6581 18.74979 810.5596 18.54481 -71.90143      26.37166 
1 1 1 5  2  16  o 603.3926 11.04533 25.17628       0.9202729     23.90423       1.431932      26.07139       1.201188      587.2335 17.65930 613.7134 14.17449 -26.47986      22.64437 
1 1 1 5  2  17  o 682.3463 11.28498 32.19898       1.063270      31.59255       1.673630      32.60939       1.376830      675.0291 17.95556 686.3052 14.52865 -11.27612      23.09727 
1 1 1 5  2  18  o 737.5629 11.60657 37.62581       1.182063      36.11412       1.832976      38.70211       1.546641      721.6165 18.39553 747.5909 14.98262 -25.97443      23.72497 
1 1 1 5  2  19  o 630.1249 11.08727 27.45899       0.9646932     29.16613       1.560765      26.40361       1.227177      648.6241 17.42635 617.5452 14.39132 31.07892       22.60062 
1 1 1 5  2  20  o 337.6569 9.346595 7.881046       0.4357797     7.485320       0.6139005     8.282983       0.6186987     328.8537 13.51939 345.9681 12.95106 -17.11438      18.72175 
1 1 1 5  2  21  o 196.9895 10.78032 2.691537       0.2921207     2.344656       0.3570671     3.393605       0.5079833     183.4753 14.20470 220.6322 16.80037 -37.15694      22.00059 
1 1 1 5  2  22  o 424.5715 8.276189 12.45783       0.4851982     12.14233       0.6838167     12.77771       0.6885557     418.9439 11.82077 429.7812 11.60255 -10.83728      16.56351 
1 1 1 5  2  23  o 910.4042 9.785008 57.30560       1.230080      54.85433       1.701277      59.99086       1.780628      890.0840 13.84223 930.8228 13.85378 -40.73883      19.58403 
1 1 1 5  2  24  f 359.0097 8.124499 8.907590       0.4027548     9.025061       0.5713743     8.791583       0.5678051     361.1885 11.45642 356.4810 11.53520 4.707520       16.25762 
1 1 1 5  2  25  o 523.7318 8.456580 18.95909       0.6115637     19.10647       0.8669505     18.81311       0.8628279     525.4675 11.94842 521.4144 11.98404 4.053101       16.92282 
1 1 1 5  2  26  o 391.0128 8.207208 10.56745       0.4431231     10.66468       0.6264219     10.47006       0.6269199     392.5947 11.55539 388.9873 11.67182 3.607391       16.42432 
1 1 1 5  2  27  o 228.2885 7.898993 3.601943       0.2489968     3.528528       0.3514332     3.675946       0.3528404     225.8261 11.27017 230.5033 11.08570 -4.677200      15.80853 
1 1 1 5  2  28  o 251.3550 7.908070 4.366789       0.2744707     4.220063       0.3868864     4.515465       0.3894468     246.9521 11.34574 255.4646 11.04026 -8.512466      15.83077 
1 1 1 5  2  29  o 227.8927 8.024564 3.589896       0.2525165     3.785506       0.3572602     3.394609       0.3569647     233.8949 11.06180 221.1502 11.73157 12.74474       16.12430 
1 1 1 5  2  30  o 566.8000 8.549554 22.21146       0.6691313     21.47933       0.9358580     22.97719       0.9570884     556.9800 12.16837 576.0915 12.03158 -19.11151      17.11222 
1 1 1 5  2  31  o 303.3873 7.974321 6.362952       0.3340636     6.334584       0.4707631     6.391726       0.4741293     302.5174 11.26975 303.8768 11.29955 -1.359375      15.95892 
1 1 1 5  2  32  o 308.0338 8.030991 6.559889       0.3415902     6.636384       0.4817108     6.482519       0.4844640     309.6205 11.26727 305.9955 11.46591 3.624939       16.07540 
1 1 1 5  2  33  o 112.1197 8.681904 0.8745494      0.1333632     0.8157315      0.1753925     0.9551640      0.2053352     107.8684 11.97772 116.6932 12.96227 -8.824783      17.64897 
1 1 1 5  2  34  f 261.6730 10.04729 4.738688       0.3630326     5.185471       0.5743582     4.441442       0.4684811     272.8814 15.30478 252.7392 13.47260 20.14226       20.38988 
1 1 1 5  2  35  o 266.9776 9.189205 4.931549       0.3387590     5.299904       0.5867152     4.747341       0.4149049     275.8051 15.46832 261.7880 11.47786 14.01715       19.26163 
1 1 1 5  2  36  o 410.3158 8.742539 11.64796       0.4953290     11.51362       0.6523373     11.83087       0.7611966     407.6215 11.58983 412.9527 13.34930 -5.331238      17.67846 
1 1 1 5  2  37  o 240.4758 8.458608 4.001067       0.2808719     4.039260       0.3709620     3.949757       0.4299626     241.4333 11.12741 238.2166 13.12197 3.216766       17.20481 
1 1 1 5  2  38  o 130.7772 8.044935 1.187705       0.1445709     1.476605       0.2053311     0.9036890      0.2035883     145.6368 10.27641 113.3267 13.26090 32.31014       16.77665 
1 1 1 5  2  39  o 258.8934 8.476772 4.639180       0.3030327     4.667115       0.4011989     4.602074       0.4623921     259.4291 11.19961 257.0862 13.06849 2.342926       17.21095 
1 1 1 5  2  40  o 228.6366 9.146430 3.620594       0.2887589     3.742502       0.4092092     3.499685       0.4075295     231.7489 12.83774 224.0150 13.23354 7.733856       18.43730 
1 1 1 5  2  41  o 301.5255 9.262906 6.299240       0.3856642     6.057737       0.6657876     6.421196       0.4731247     294.1298 16.45905 304.1740 11.26459 -10.04428      19.94471 
1 1 1 5  2  42  o 86.17055 9.811657 0.5214113      0.1146636     0.6173525      0.1625813     0.4264610      0.1617396     93.34417 12.96377 76.80123 15.77921 16.54294       20.42162 
1 1 1 5  2  43  o 287.4948 8.522245 5.726143       0.3383156     5.724154       0.4475379     5.728794       0.5168034     287.0729 11.29015 286.9004 13.04537 0.1725159      17.25251 
1 1 1 5  2  44  o 266.8084 7.949050 4.930579       0.2928551     4.785481       0.4132770     5.076923       0.4150479     262.4094 11.40575 270.3258 11.11918 -7.916443      15.92882 
1 1 1 5  2  45  o 242.7133 7.936415 4.081525       0.2659843     3.975674       0.3756107     4.187995       0.3767088     239.1031 11.37666 245.4448 11.11511 -6.341690      15.90516 
1 1 1 5  2  46  o 177.8096 7.960331 2.191217       0.1954449     2.098285       0.2761132     2.284538       0.2766894     173.2456 11.60931 180.8917 11.13139 -7.646133      16.08365 
1 1 1 5  2  47  o 232.0583 7.940168 3.733434       0.2544280     3.739785       0.3601309     3.727104       0.3595009     231.7711 11.25286 231.3780 11.25226 0.3931732      15.91353 
1 1 1 5  2  48  o 80.07479 8.580858 0.4500058      0.9339994E-01 0.4329741      0.1324438     0.4668557      0.1317340     77.76102 12.77882 80.94016 12.16292 -3.179146      17.64185 
1 1 1 5  2  49  f 242.8726 7.962755 4.091762       0.2670422     4.053298       0.3779170     4.130118       0.3773928     241.1446 11.34961 243.4439 11.22682 -2.299286      15.96418 
1 1 1 5  2  50  o 408.4408 8.209563 11.57956       0.4630065     11.72927       0.6566513     11.43153       0.6529446     409.9833 11.59927 404.7148 11.68394 5.268433       16.46382 
1 1 1 5  2  51  o 242.6317 7.989557 4.086209       0.2676753     4.136618       0.3790247     4.036052       0.3780772     243.4825 11.27358 240.4792 11.38584 3.003250       16.02282 
1 1 1 5  2  52  o 358.1581 8.122139 8.907444       0.4016827     8.862059       0.5679807     8.952857       0.5681495     356.2036 11.54775 358.0437 11.49181 -1.840088      16.29148 
1 1 1 5  2  53  o 213.9629 7.979702 3.178892       0.2357561     3.111897       0.3332164     3.246042       0.3336031     210.7477 11.49394 215.3178 11.25961 -4.570114      16.09004 
1 1 1 5  2  54  o 299.4554 8.059899 6.228634       0.3332727     6.289040       0.4717150     6.168431       0.4709237     300.0066 11.38704 297.0869 11.47966 2.919617       16.16933 
1 1 1 5  2  55  o 200.8181 9.254583 2.806497       0.2566243     2.790511       0.3624704     2.822564       0.3633744     198.9971 13.26736 200.1549 13.22220 -1.157791      18.73097 
1 1 1 5  2  56  o 295.3058 9.324089 6.068758       0.3802038     5.971209       0.6568701     6.117904       0.4662436     290.0710 16.46763 295.9175 11.41049 -5.846527      20.03452 
1 1 1 5  2  57  o 180.4370 9.382381 2.271476       0.2329571     2.364248       0.3306543     2.180042       0.3282609     183.1875 13.15963 175.7390 13.63408 7.448547       18.94899 
1 1 1 5  2  58  o 291.1806 8.090299 5.887314       0.3252857     5.964948       0.4602519     5.809834       0.4597952     292.2725 11.40433 288.4067 11.54572 3.865753       16.22844 
1 1 1 5  2  59  o 138.4526 8.232923 1.335808       0.1566864     1.270716       0.2212032     1.401355       0.2219748     134.3074 12.05601 141.2180 11.48295 -6.910614      16.64949 
1 1 1 5  2  60  o 267.3808 8.623232 4.966620       0.3183745     5.039419       0.4219505     4.870389       0.4851310     268.7202 11.37164 263.3086 13.38716 5.411621       17.56503 
1 1 1 5  2  61  o 175.6187 8.658709 2.142326       0.2099722     2.154427       0.2782554     2.126322       0.3199907     175.3319 11.55813 173.7256 13.44405 1.606369       17.72943 
1 1 1 5  2  62  o 169.4749 9.455676 2.003157       0.2203948     1.885137       0.3814029     2.062322       0.2700450     162.4784 17.26456 171.5664 11.46499 -9.087997      20.72465 
1 1 1 5  2  63  o 253.2190 8.670740 4.453088       0.3031730     4.311499       0.4000377     4.644142       0.4646927     248.5721 11.65496 257.2990 13.12307 -8.726898      17.55144 
1 1 1 5  2  64  o 153.5977 8.822588 1.644051       0.1863338     1.627144       0.2460033     1.666807       0.2853942     152.2503 11.79360 153.6985 13.58734 -1.448166      17.99180 
1 1 1 5  2  65  o 74.72539 9.375684 0.3941194      0.9461091E-01 0.4153874      0.1346710     0.3733929      0.1329457     75.97385 13.32304 71.82523 13.90729 4.148621       19.25919 
1 1 1 5  2  66  o 108.9855 8.586821 0.8298337      0.1281761     0.7939788      0.1819543     0.8651531      0.1805902     105.8410 12.70385 110.6894 12.00803 -4.848427      17.48087 
1 1 1 5  2  67  o 172.0295 8.176154 2.054157       0.1942183     2.133114       0.2756221     1.976286       0.2737200     174.4832 11.50446 167.8343 11.88795 6.648926       16.54315 
1 1 1 5  2  68  o 164.3954 8.199169 1.876186       0.1861220     1.941520       0.2641544     1.811772       0.2622879     166.3940 11.56887 160.6356 11.90975 5.758423       16.60365 
1 1 1 5  2  69  o 114.3615 8.559116 0.9135884      0.1341795     0.9096863      0.1906707     0.9174168      0.1888592     113.4019 12.37760 113.9285 12.19453 -0.5265198     17.37560 
1 1 1 5  2  70  o 68.91585 9.775252 0.3371290      0.9041470E-01 0.4003250      0.1297298     0.2774391      0.1260797     74.52991 13.08308 61.57045 14.97396 12.95946       19.88433 
1 1 1 5  2  71  o 131.3401 8.466986 1.203845       0.1527370     1.201254       0.2167811     1.206399       0.2152328     130.4597 12.17459 130.7688 12.05547 -0.3090668     17.13345 
1 1 1 5  2  72  o 110.1574 8.743670 0.8492455      0.1319046     0.8840248      0.1874323     0.8151200      0.1856628     111.6718 12.36262 107.0740 12.81193 4.597824       17.80393 
1 1 1 5  2  73  o 106.7619 8.849895 0.7986083      0.1292882     0.7608596      0.1833582     0.8359345      0.1823284     103.2725 13.15697 108.5081 12.39119 -5.235603      18.07339 
1 1 1 5  2  74  o 192.4495 8.273746 2.576174       0.2198654     2.606136       0.3110478     2.546256       0.3108256     192.4965 11.75855 190.2245 11.89319 2.272018       16.72458 
1 1 1 5  2  75  o 233.1368 8.848951 3.786507       0.2848660     3.760968       0.3762189     3.820825       0.4361054     231.2509 11.82151 232.3847 13.65077 -1.133759      18.05801 
1 1 1 5  2  76  o 239.0378 10.53392 3.997577       0.3476919     3.636426       0.5460196     4.243896       0.4509335     224.6664 17.74524 244.9644 13.38192 -20.29800      22.22541 
1 1 1 5  2  77  o 101.5036 10.63690 0.7288208      0.1468703     0.6865602      0.2111856     0.7684067      0.2043928     96.92529 16.36190 103.1549 14.77121 -6.229637      22.04315 
1 1 1 5  2  78  o 60.63616 11.91234 0.2669843      0.9618143E-01 0.2078446      0.1287637     0.3416297      0.1446624     53.64094 16.09866 67.98862 15.72275 -14.34768      22.50271 
1 1 1 5  2  79  o 179.2293 8.441777 2.238183       0.2089204     2.182407       0.2952526     2.294114       0.2956640     175.7011 12.24632 180.2623 11.94604 -4.561218      17.10789 
1 1 1 5  2  80  o 145.0621 8.692493 1.472287       0.1733125     1.387697       0.2448976     1.557158       0.2453048     139.7242 12.83687 148.3064 12.08372 -8.582199      17.62956 
1 1 1 5  2  81  o 165.1800 9.187259 1.910568       0.2087185     1.946049       0.2772107     1.864126       0.3171496     165.8376 12.19114 161.5303 14.36915 4.307312       18.84400 
1 1 1 5  2  82  o 107.2938 11.67148 0.8184410      0.1701280     0.8540005      0.2653327     0.7936154      0.2216987     107.4093 18.56137 104.3815 15.88251 3.027847       24.42905 
1 1 1 5  2  83  o 179.6689 10.90572 2.273210       0.2692810     2.367420       0.4200723     2.207491       0.3508494     180.8894 17.01801 175.6933 14.59407 5.196106       22.41873 
1 1 1 5  2  84  o 161.7584 9.383047 1.834738       0.2086791     1.825758       0.2748898     1.846952       0.3205856     160.4112 12.50929 160.5649 14.61973 -0.1537323     19.24107 
1 1 1 5  2  85  o 69.06018 11.57384 0.3441040      0.1064629     0.4517091      0.1507775     0.2371141      0.1503459     78.59434 14.42494 57.12814 17.45202 21.46620       22.64182 
1 1 1 5  2  86  o 115.9149 9.535038 0.9458836      0.1512625     1.047271       0.2145016     0.8455926      0.2133382     121.0399 13.03990 108.1142 14.66932 12.92564       19.62723 
1 1 1 5  2  87  o 252.4807 8.551366 4.448238       0.2981272     4.640549       0.4228327     4.258127       0.4204089     256.5965 11.93383 245.2816 12.45364 11.31485       17.24846 
1 1 1 5  2  88  o 135.5517 9.224725 1.290481       0.1716348     1.311740       0.2431108     1.269356       0.2423475     135.5009 13.15939 133.2092 13.35534 2.291748       18.74926 
1 1 1 5  2  89  o 45.03483 13.64217 0.1454111      0.9215058E-01 0.2291681E-01  0.1303172     0.2679180      0.1303240     36.64635 15.34305 60.05773 15.58156 -23.41138      21.86765 
1 1 1 5  2  90  o 122.2045 9.693467 1.053149       0.1622277     1.168262       0.2308394     0.9408152      0.2280356     127.6191 13.29471 113.8409 14.86121 13.77822       19.94003 
1 1 1 5  2  91  o 96.62629 10.60820 0.6646196      0.1392098     0.6443028      0.1978646     0.6845340      0.1958950     93.43097 15.90692 96.62849 15.18247 -3.197517      21.98948 
1 1 1 5  2  92  o 112.9609 10.07540 0.9044897      0.1555054     0.9536960      0.2214241     0.8565998      0.2184418     114.5599 14.30972 108.2149 15.02411 6.345062       20.74830 
1 1 1 5  2  93  o 48.94698 14.46153 0.1759576      0.1045217     0.1450128      0.1497039     0.2053893      0.1459979     47.92368 17.45007 53.33136 17.32219 -5.407681      24.58786 
1 1 1 5  2  94  o 59.65451 14.10063 0.2667489      0.1143150     0.3030787      0.1627431     0.2313653      0.1606098     62.97865 17.88033 56.05671 18.16534 6.921936       25.48894 
1 1 1 5  2  95  o 75.07368 14.03388 0.4204419      0.1401312     0.6011782      0.1859217     0.1827300      0.2132224     89.43312 15.62411 54.17698 20.60778 35.25615       25.86104 
1 1 1 5  2  96  o 81.77146 16.84061 0.5148311      0.1838187     0.6231049      0.3046840     0.4528680      0.2304916     86.07986 24.47435 74.84892 21.28899 11.23094       32.43786 
1 1 1 5  2  97  o 56.06149 16.93708 0.2422769      0.1421782     0.2476356      0.2204634     0.2384612      0.1860333     58.23441 21.18054 56.47836 19.56320 1.756050       28.83286 
1 1 1 5  2  98  o 66.05952 14.58373 0.3352802      0.1294695     0.5416235      0.1852856     0.1384045      0.1809851     83.30985 16.68843 48.22252 18.81580 35.08734       25.15031 
1 1 1 5  2  99  o 59.93256 14.99239 0.2796906      0.1237596     0.3229171      0.1765150     0.2378958      0.1735673     63.15859 18.82480 55.48466 18.90866 7.673931       26.68165 
1 1 1 5  2  100 o 110.7523 11.01368 0.8971218      0.1661975     0.9045468      0.2364508     0.8898717      0.2336517     107.7390 16.41244 106.8930 16.34975 0.8459244      23.16640 
1 1 1 5  2  101 f 59.64076 16.70991 0.2848459      0.1431151     0.3966433      0.2053295     0.1792183      0.1995834     68.62630 20.26733 51.38189 19.83932 17.24442       28.36129 
1 1 1 5  2  102 o 95.49943 13.98265 0.6957173      0.1789240     0.9944993      0.2981066     0.5274759      0.2236972     109.0611 20.54918 78.83228 20.39531 30.22881       28.95233 
1 1 1 5  2  103 o 96.32114 12.91735 0.6992677      0.1674754     0.8438174      0.2192108     0.4966056      0.2595612     103.9425 15.76815 74.60302 22.95431 29.33952       27.84842 
1 1 1 5  2  104 o 60.90226 14.99977 0.2929896      0.1253098     0.4978383      0.1787042     0.9483095E-01  0.1757619     78.64301 16.95552 44.09579 18.07742 34.54723       24.78473 
1 1 1 5  2  105 o 41.32489 14.50656 0.1210154      0.1024548     0.2344584E-01  0.1448807     0.2186179      0.1449051     36.90173 15.83986 52.67337 17.26451 -15.77164      23.43000 
1 1 1 5  2  106 f 38.05760 14.32835 0.8987633E-01  0.1024274     0.1416245      0.1454691     0.3899388E-01  0.1442471     45.64790 17.09708 37.84194 16.00835 7.805958       23.42173 
1 1 1 5  2  107 o 38.42779 14.45483 0.9249710E-01  0.1041986     0.4399614E-02  0.1466436     0.1823350      0.1480850     35.90708 15.67162 49.27365 17.42676 -13.36657      23.43697 
1 1 1 5  2  108 o 40.48165 14.95052 0.1094872      0.1104669     0.9693602E-01  0.1561607     0.1220587      0.1562871     42.66264 17.20531 44.51308 17.45256 -1.850445      24.50744 
1 1 1 5  2  109 o 69.06824 13.80505 0.3721823      0.1270567     0.2782557      0.1805186     0.4643943      0.1788634     57.69972 19.28543 74.88824 17.59539 -17.18851      26.10605 
1 1 1 5  2  110 o 59.09673 15.07579 0.2828060      0.1234171     0.1539753      0.1752118     0.4096743      0.1738722     47.18916 18.48532 69.43692 17.98912 -22.24776      25.79371 
1 1 1 5  2  111 o 87.93875 12.47823 0.5976252      0.1472704     0.4958457      0.2084012     0.6991523      0.2081427     73.90595 19.95454 91.20490 17.15713 -17.29895      26.31636 
1 1 1 5  2  112 o 68.38400 14.52965 0.3853675      0.1329661     0.2566214      0.1892891     0.5107769      0.1868201     53.35955 19.59264 75.71564 18.11230 -22.35609      26.68196 
1 1 1 5  2  113 o 63.58461 15.81564 0.3538200      0.1382851     0.3539870      0.1828226     0.3535966      0.2114059     60.19338 19.36783 58.74264 20.81690 1.450745       28.43336 
1 1 1 5  2  114 o 54.55414 18.06699 0.2939038      0.1585378     0.3463171      0.2577047     0.2619889      0.2010937     54.56854 22.06877 50.57821 19.80618 3.990334       29.65325 
1 1 1 5  2  115 o 34.62127 15.34860 0.4980907E-01  0.1458417     0.8660993E-01  0.2129934     0.1732511E-01  0.2001113     39.45420 17.92761 36.19955 16.78531 3.254646       24.55903 
1 1 1 5  2  116 o 36.55360 15.87307 0.1082766      0.1488411     -0.1192189     0.2159720     0.3140674      0.2054112     31.35782 15.29722 48.14532 19.61762 -16.78750      24.87682 
1 1 1 5  2  117 o 32.34366 14.68827 0.7351417E-01  0.1427161     0.4219131E-02  0.2065401     0.1368311      0.1974301     31.96715 15.44512 36.01522 16.69017 -4.048069      22.74013 
1 1 1 5  2  118 o 35.14886 15.72212 0.1874119      0.1565814     0.3610496      0.2273336     0.3068287E-01  0.2159814     39.18492 18.07098 30.04002 14.78530 9.144901       23.34878 
1 1 1 5  2  119 o 20.28886 10.17369 -0.1452776     0.1230418     -0.1380311     0.1569583     -0.1568298     0.1981767     22.40023 11.26756 23.72603 12.02003 -1.325806      16.47541 
1 1 1 5  2  120 o 21.54684 11.03071 -0.1386365     0.2051505     0.000000       0.000000      -0.1386365     0.2051505     ?        ?        21.54684 11.03071 0.000000       11.03071 
1 1 1 5  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  132 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  1   o 464.1128 23.65077 15.01772       1.510652      15.01772       1.510652      0.000000       0.000000      464.1128 23.65077 ?        ?        0.000000       23.65077 
1 1 1 5  3  2   o 294.6878 16.15134 6.033848       0.6547133     6.033848       0.6547133     0.000000       0.000000      294.6878 16.15134 ?        ?        0.000000       16.15134 
1 1 1 5  3  3   o 307.1393 12.99139 6.527320       0.5509716     6.527320       0.5509716     0.000000       0.000000      307.1393 12.99139 ?        ?        0.000000       12.99139 
1 1 1 5  3  4   o 162.8119 12.89971 1.845544       0.2876301     1.845544       0.2876301     0.000000       0.000000      162.8119 12.89971 ?        ?        0.000000       12.89971 
1 1 1 5  3  5   o 371.7835 16.15633 9.575874       0.8294128     9.575874       0.8294128     0.000000       0.000000      371.7835 16.15633 ?        ?        0.000000       16.15633 
1 1 1 5  3  6   o 128.9028 13.03614 1.161452       0.2288433     1.334300       0.2800382     0.8139997      0.3970394     138.0150 14.93251 106.0538 27.03226 31.96120       30.88241 
1 1 1 5  3  7   o 716.1669 12.79671 35.48812       1.265467      35.10554       1.774735      35.88382       1.804927      711.5280 18.06357 719.3533 18.17102 -7.825378      25.62184 
1 1 1 5  3  8   o 712.5422 12.73462 35.12952       1.252952      34.70477       1.762039      35.56397       1.782014      707.4497 18.03774 716.1565 18.02043 -8.706787      25.49698 
1 1 1 5  3  9   o 187.8273 11.14463 2.448345       0.2877501     2.334985       0.4065555     2.562135       0.4073258     182.8602 16.27138 191.7062 15.52069 -8.845978      22.48665 
1 1 1 5  3  10  o 335.1568 11.38116 7.769102       0.5267110     7.884634       0.7456746     7.654058       0.7440918     337.3487 16.00783 332.3644 16.21340 4.984222       22.78431 
1 1 1 5  3  11  f 493.5382 11.83814 16.84952       0.8067560     16.79043       1.140428      16.90871       1.141423      492.1935 16.78008 493.9292 16.73571 -1.735626      23.69926 
1 1 1 5  3  12  o 383.1830 11.49041 10.15596       0.6079668     10.07209       0.8590459     10.24013       0.8605459     381.2407 16.31846 384.4171 16.21188 -3.176331      23.00255 
1 1 1 5  3  13  o 461.2738 11.74122 14.71884       0.7478423     15.19809       1.065737      14.25395       1.049664      468.2801 16.48186 453.4716 16.76341 14.80853       23.50879 
1 1 1 5  3  14  o 471.5002 11.78775 15.37947       0.7674511     15.54394       1.088942      15.21717       1.081773      473.5429 16.65357 468.5315 16.72089 5.011444       23.59936 
1 1 1 5  3  15  o 604.4349 12.30182 25.27958       1.026731      25.21558       1.452660      25.34348       1.451375      602.9943 17.44668 604.5308 17.38694 -1.536560      24.63113 
1 1 1 5  3  16  o 446.7642 11.70893 13.80870       0.7223268     13.98245       1.025226      13.63744       1.017862      449.1106 16.53212 443.5257 16.62005 5.584930       23.44220 
1 1 1 5  3  17  o 108.0853 11.41055 0.8171278      0.1677245     0.8382933      0.2379014     0.7962108      0.2365013     108.7764 16.34422 105.8875 16.73105 2.888916       23.38935 
1 1 1 5  3  18  o 195.9834 11.22369 2.665683       0.3024703     2.629526       0.4278111     2.701822       0.4277042     194.1064 16.10703 196.8051 15.87373 -2.698700      22.61442 
1 1 1 5  3  19  o 466.2814 11.77772 15.04397       0.7583110     14.90587       1.069773      15.18345       1.075074      463.6188 16.71063 467.9246 16.63889 -4.305847      23.58173 
1 1 1 5  3  20  o 328.5406 11.41063 7.468117       0.5176507     7.472288       0.7305394     7.463910       0.7336074     328.2850 16.11590 328.0943 16.19299 0.1907349      22.84590 
1 1 1 5  3  21  o 248.8681 11.30177 4.285281       0.3883771     4.157529       0.5467073     4.415437       0.5518249     244.3113 16.29947 251.8531 15.95013 -7.541870      22.80525 
1 1 1 5  3  22  o 411.5992 9.562860 11.71510       0.5435009     11.16679       0.7610892     12.28569       0.7763919     401.5140 13.72767 421.1869 13.34960 -19.67285      19.14839 
1 1 1 5  3  23  o 392.9307 9.567719 10.67701       0.5191135     10.89645       0.7353843     10.45905       0.7328969     396.6340 13.42723 388.5699 13.65953 8.064087       19.15393 
1 1 1 5  3  24  o 252.6653 9.266232 4.414552       0.3232859     4.430167       0.4566294     4.398859       0.4577633     252.5713 13.13844 251.6659 13.21911 0.9053802      18.63769 
1 1 1 5  3  25  o 413.7735 9.557295 11.84114       0.5460541     11.49408       0.7670224     12.19782       0.7775598     407.2956 13.63830 419.6026 13.42016 -12.30707      19.13384 
1 1 1 5  3  26  f 532.3521 9.876174 19.60423       0.7259817     19.89679       1.031514      19.31708       1.021939      535.7933 13.94247 527.9191 14.01909 7.874268       19.77188 
1 1 1 5  3  27  o 585.7485 9.990051 23.73717       0.8080102     23.58173       1.141277      23.89339       1.144127      583.2175 14.17172 587.0688 14.11391 -3.851318      20.00100 
1 1 1 5  3  28  o 397.1913 10.35694 10.91725       0.5680271     11.15191       0.7376162     10.57530       0.8904062     401.1345 13.31688 390.2245 16.52478 10.90997       21.22281 
1 1 1 5  3  29  o 104.0117 10.49367 0.7563454      0.1486520     0.6928529      0.1913983     0.8528666      0.2359870     98.91880 14.43808 109.6859 16.05661 -10.76711      21.59335 
1 1 1 5  3  30  o 175.3679 10.15430 2.135628       0.2448361     1.990000       0.3165843     2.352346       0.3862025     168.8456 13.69686 183.4283 15.39018 -14.58267      20.60246 
1 1 1 5  3  31  o 583.8010 10.99127 23.60355       0.8860349     25.79918       1.443520      22.27630       1.122330      609.0020 17.16588 566.5359 14.34680 42.46606       22.37182 
1 1 1 5  3  32  o 151.5883 9.269197 1.596139       0.1930875     1.670873       0.2738717     1.522278       0.2722692     154.6792 12.94155 147.5107 13.51743 7.168488       18.71376 
1 1 1 5  3  33  o 235.2846 8.640136 3.830479       0.2807063     4.158374       0.3740678     3.407831       0.4246907     244.9761 11.05831 221.0969 13.98283 23.87923       17.82710 
1 1 1 5  3  34  o 240.3105 8.558970 3.996336       0.2840091     3.991346       0.3763041     4.002941       0.4329195     239.9488 11.35749 239.7807 13.12521 0.1680450      17.35695 
1 1 1 5  3  35  o 75.90810 8.938232 0.4043810      0.9189132E-01 0.4061804      0.1220432     0.4020255      0.1396338     75.58283 12.10203 74.86300 14.02315 0.7198334      18.52317 
1 1 1 5  3  36  o 125.9892 9.318587 1.105383       0.1609643     1.097614       0.2275831     1.113159       0.2276927     124.9725 13.39714 125.8788 13.30106 -0.9062729     18.87860 
1 1 1 5  3  37  o 116.7103 9.440561 0.9499016      0.1508376     0.9460092      0.2620989     0.9518290      0.1844425     115.2000 16.98663 116.5316 11.61735 -1.331581      20.57932 
1 1 1 5  3  38  o 163.7655 8.606063 1.862518       0.1939275     1.921697       0.2978288     1.818958       0.2555175     165.7246 13.12222 161.4549 11.53723 4.269699       17.47285 
1 1 1 5  3  39  o 93.69921 8.997529 0.6139126      0.1149804     0.5463352      0.1519354     0.7044860      0.1758972     87.70569 12.93386 99.79688 13.07937 -12.09119      18.39441 
1 1 1 5  3  40  o 198.2393 8.565575 2.722805       0.2344684     2.575949       0.3094501     2.920762       0.3592777     192.1752 11.71750 204.4882 12.78826 -12.31297      17.34472 
1 1 1 5  3  41  o 145.7026 8.115426 1.475206       0.1626258     1.463164       0.2298407     1.487278       0.2301348     144.6179 11.60759 145.8262 11.52289 -1.208328      16.35583 
1 1 1 5  3  42  o 177.1957 7.969574 2.175562       0.1949962     2.180642       0.2753828     2.170454       0.2761514     176.7223 11.34510 176.2976 11.40502 0.4247131      16.08682 
1 1 1 5  3  43  o 307.9422 8.070485 6.573085       0.3431680     6.378737       0.4830241     6.771161       0.4876345     302.7269 11.55526 311.9506 11.32063 -9.223663      16.17655 
1 1 1 5  3  44  o 267.7668 8.031145 4.971299       0.2969424     4.735020       0.4174300     5.213348       0.4224958     260.7263 11.59473 273.6634 11.18067 -12.93701      16.10730 
1 1 1 5  3  45  o 181.5101 7.995481 2.284856       0.2003934     2.191254       0.2823315     2.379886       0.2844789     176.9437 11.62002 184.5155 11.21878 -7.571793      16.15196 
1 1 1 5  3  46  o 222.4518 8.021010 3.432753       0.2463786     3.365850       0.3471363     3.500664       0.3497423     219.4344 11.49663 223.8306 11.35311 -4.396210      16.15752 
1 1 1 5  3  47  o 143.2366 8.208193 1.428579       0.1616686     1.456576       0.2280820     1.400309       0.2291898     144.0457 11.56457 141.1553 11.86889 2.890411       16.57136 
1 1 1 5  3  48  o 396.1543 8.240959 10.89613       0.4507961     10.79243       0.6347281     11.00167       0.6403530     393.1529 11.69199 396.9493 11.68279 -3.796356      16.52846 
1 1 1 5  3  49  o 186.1048 8.052056 2.404599       0.2069199     2.452723       0.2920117     2.356066       0.2932501     187.1124 11.35583 183.3057 11.64619 3.806763       16.26618 
1 1 1 5  3  50  o 243.2418 8.074065 4.108714       0.2711867     4.006699       0.3815166     4.212895       0.3855471     239.4820 11.53726 245.6089 11.36830 -6.126892      16.19711 
1 1 1 5  3  51  o 192.0658 8.098955 2.562339       0.2147915     2.688851       0.3034539     2.435314       0.3040692     195.8862 11.26638 186.2346 11.88627 9.651611       16.37727 
1 1 1 5  3  52  o 269.3461 8.631345 5.043510       0.3210164     4.978599       0.4228819     5.131785       0.4931464     266.9025 11.47436 270.4464 13.20555 -3.543884      17.49422 
1 1 1 5  3  53  o 206.0904 10.21422 2.960681       0.2906707     3.224416       0.4601172     2.785527       0.3749685     213.1382 15.74543 198.6836 13.75226 14.45459       20.90558 
1 1 1 5  3  54  o 192.5725 10.23562 2.591669       0.2711964     2.378012       0.4271759     2.735924       0.3510051     182.4358 17.15900 197.1666 12.96494 -14.73080      21.50630 
1 1 1 5  3  55  o 125.9341 8.863512 1.107895       0.1531471     1.150206       0.2033804     1.052485       0.2327424     127.7961 11.65348 121.6269 14.12102 6.169167       18.30865 
1 1 1 5  3  56  o 260.3278 8.107479 4.705695       0.2914368     4.711296       0.4115059     4.700058       0.4128048     259.7438 11.47342 259.4208 11.52396 0.3229370      16.26165 
1 1 1 5  3  57  o 299.6804 8.672899 6.240240       0.3588894     6.122881       0.4741215     6.397713       0.5492098     296.1068 11.59587 302.1859 13.16213 -6.079041      17.54155 
1 1 1 5  3  58  o 113.4576 9.117989 0.9004992      0.1416404     0.8948581      0.1882209     0.9078650      0.2150736     112.4979 12.31805 112.9154 14.10162 -0.4175034     18.72405 
1 1 1 5  3  59  o 246.2311 10.22981 4.221276       0.3478150     3.984438       0.5481305     4.380920       0.4500225     236.9722 16.86131 249.8514 13.08965 -12.87917      21.34579 
1 1 1 5  3  60  o 236.7736 9.352827 3.897328       0.3057835     4.010860       0.5296646     3.840571       0.3744955     238.0492 16.21025 234.6186 11.55969 3.430603       19.90977 
1 1 1 5  3  61  o 92.51108 9.540295 0.6012692      0.1201201     0.5876314      0.1575462     0.6202050      0.1856414     90.78980 12.93258 92.85107 14.98998 -2.061272      19.79775 
1 1 1 5  3  62  o 177.6824 8.782770 2.192832       0.2154835     2.001379       0.2830178     2.456890       0.3323781     168.8512 12.22131 186.9911 12.95259 -18.13992      17.80815 
1 1 1 5  3  63  o 166.6815 8.175874 1.928167       0.1881740     1.798844       0.2652591     2.059180       0.2669859     160.0630 12.09086 171.4773 11.33972 -11.41431      16.57643 
1 1 1 5  3  64  o 114.6656 8.616147 0.9181201      0.1354246     0.8764156      0.1908774     0.9603903      0.1921677     111.2822 12.64659 116.6678 12.10483 -5.385643      17.50609 
1 1 1 5  3  65  o 200.4515 8.148330 2.788867       0.2255360     2.731782       0.3184066     2.846347       0.3195085     197.4947 11.72847 201.6567 11.52225 -4.162018      16.44139 
1 1 1 5  3  66  o 143.5948 8.360912 1.436539       0.1650618     1.480376       0.2332940     1.392596       0.2335716     145.1526 11.74020 140.6691 12.14401 4.483490       16.89110 
1 1 1 5  3  67  o 74.02274 9.511356 0.3873366      0.9496874E-01 0.3285974      0.1342851     0.4461124      0.1343271     67.08594 14.88543 78.87425 12.77014 -11.78831      19.61256 
1 1 1 5  3  68  o 56.90804 10.66966 0.2330467      0.8076180E-01 0.2501562      0.1150786     0.2164417      0.1133694     58.51305 14.35202 54.54341 14.71391 3.969643       20.55431 
1 1 1 5  3  69  o 136.9468 8.436440 1.308275       0.1587560     1.324970       0.2252378     1.291792       0.2237990     137.1056 12.01859 135.3460 12.10268 1.759628       17.05642 
1 1 1 5  3  70  o 82.66914 9.395964 0.4818659      0.1053509     0.4342074      0.1499508     0.5283206      0.1480448     77.30717 14.58195 85.88270 12.88112 -8.575523      19.45653 
1 1 1 5  3  71  o 116.0087 8.724987 0.9415829      0.1387399     0.8874359      0.1971130     0.9947467      0.1953150     111.6894 13.02569 118.5574 12.10039 -6.868050      17.77887 
1 1 1 5  3  72  f 116.0599 8.817751 0.9430709      0.1402549     0.9282777      0.1991279     0.9576355      0.1975819     114.2579 12.84400 116.1540 12.51669 -1.896088      17.93421 
1 1 1 5  3  73  o 250.2838 8.839276 4.363552       0.3054833     4.419576       0.4048960     4.289520       0.4654412     251.0568 11.67975 246.2520 13.74304 4.804810       18.03574 
1 1 1 5  3  74  o 133.2990 11.04846 1.252780       0.2015273     1.479428       0.3207029     1.104879       0.2590670     143.2150 16.52020 123.8656 15.48524 19.34937       22.64309 
1 1 1 5  3  75  o 93.79259 11.77503 0.6268377      0.1491382     0.7066926      0.2414861     0.5776007      0.1896216     97.67540 18.58379 88.82468 16.05099 8.850723       24.55589 
1 1 1 5  3  76  o 132.0870 9.212814 1.223151       0.1669791     1.252731       0.2229182     1.185336       0.2520430     132.9108 12.28540 128.6080 14.44249 4.302780       18.96093 
1 1 1 5  3  77  o 111.8319 8.973474 0.8777871      0.1374014     0.9103766      0.1952033     0.8457842      0.1934385     112.9931 12.73312 108.7469 13.14922 4.246170       18.30394 
1 1 1 5  3  78  o 84.60990 9.799932 0.5068436      0.1123743     0.6132976      0.1601691     0.4036437      0.1577021     92.42334 12.90226 73.92574 15.91970 18.49760       20.49159 
1 1 1 5  3  79  o 50.26125 13.01948 0.1849158      0.9108288E-01 0.2552168      0.1224924     0.9797505E-01  0.1362197     58.81975 15.02684 43.29382 16.47072 15.52593       22.29552 
1 1 1 5  3  80  o 64.49408 13.81455 0.3051876      0.1193192     0.2586168      0.1868195     0.3372732      0.1550675     60.28334 19.59550 67.34687 16.74587 -7.063534      25.77611 
1 1 1 5  3  81  o 189.8813 10.83986 2.537212       0.2830345     2.484750       0.4428329     2.573444       0.3680142     185.1219 17.53278 189.9984 14.12844 -4.876495      22.51691 
1 1 1 5  3  82  o 143.9910 9.524044 1.455632       0.1882934     1.387276       0.2482759     1.548181       0.2888888     139.5438 13.03604 146.9889 14.41903 -7.445053      19.43828 
1 1 1 5  3  83  o 217.7990 8.473684 3.308306       0.2548392     3.294297       0.3606330     3.322278       0.3601615     215.8766 12.14761 216.8230 12.07762 -0.9463196     17.12989 
1 1 1 5  3  84  o 105.2397 9.669661 0.7811428      0.1389453     0.7058553      0.1968240     0.8559344      0.1961744     98.54977 14.93160 109.2324 13.27944 -10.68262      19.98240 
1 1 1 5  3  85  o 126.6905 9.189473 1.127378       0.1596646     1.184473       0.2269076     1.071384       0.2247082     128.8295 12.92989 122.2704 13.53655 6.559128       18.71952 
1 1 1 5  3  86  o 126.4534 9.205009 1.123521       0.1596252     1.255542       0.2267792     0.9938830      0.2247232     132.7752 12.51712 117.4893 14.13565 15.28586       18.88107 
1 1 1 5  3  87  o 188.0968 8.695059 2.470957       0.2258353     2.795851       0.3218806     2.155970       0.3169356     198.8093 11.77769 173.9081 13.29896 24.90117       17.76447 
1 1 1 5  3  88  o 178.5554 8.815297 2.228487       0.2173441     2.669814       0.3102423     1.803127       0.3045779     194.2381 11.62055 158.5612 14.05690 35.67691       18.23824 
1 1 1 5  3  89  o 162.0408 9.039412 1.843290       0.2014507     1.995187       0.2860692     1.693862       0.2837336     167.3878 12.46618 153.7502 13.50137 13.63757       18.37641 
1 1 1 5  3  90  o 58.70138 13.49150 0.2550153      0.1070648     0.3929133      0.1537531     0.1252061      0.1491755     72.52817 15.79955 46.38694 17.32537 26.14122       23.44769 
1 1 1 5  3  91  o 105.7096 10.23282 0.7943381      0.1474953     0.9831230      0.2107687     0.6131626      0.2064772     116.6215 13.32785 90.36235 17.17590 26.25912       21.74035 
1 1 1 5  3  92  o 77.98933 11.99902 0.4423336      0.1250751     0.5182799      0.1780256     0.3683064      0.1757618     83.06892 16.10183 69.27881 18.15417 13.79012       24.26608 
1 1 1 5  3  93  o 59.56581 15.02710 0.2682037      0.1235893     0.3763497      0.1617823     0.1166463      0.1915201     70.09619 16.90976 48.45483 19.21727 21.64136       25.59772 
1 1 1 5  3  94  o 67.01012 17.73596 0.3488004      0.1666735     0.3602491      0.2747074     0.3421305      0.2096767     68.20918 23.76447 66.10287 20.67942 2.106308       31.50220 
1 1 1 5  3  95  o 75.15807 16.46555 0.4362776      0.1661549     0.3153860      0.2877839     0.4967265      0.2034992     64.98586 24.10490 79.17503 18.87953 -14.18917      30.61834 
1 1 1 5  3  96  o 96.37614 12.17336 0.6826379      0.1583878     0.7659366      0.2140593     0.5818557      0.2354545     100.0912 16.02910 84.51692 20.40670 15.57430       25.94929 
1 1 1 5  3  97  o 37.79468 14.28724 0.8419845E-01  0.1020862     0.1194195E-01  0.1452923     0.1546522      0.1434684     36.65745 15.80021 47.25755 17.10180 -10.60010      23.28344 
1 1 1 5  3  98  o 72.28040 13.78448 0.3985748      0.1325569     0.5438092      0.1884284     0.2562769      0.1865138     82.87758 17.03470 57.17894 19.60062 25.69864       25.96855 
1 1 1 5  3  99  o 66.72398 14.93541 0.3474026      0.1341747     0.4308765      0.1807885     0.2450455      0.2001956     72.80153 18.06908 56.32843 20.22574 16.47310       27.12144 
1 1 1 5  3  100 o 33.68190 13.93551 0.3720783E-01  0.1057004     0.2409064      0.1593890     -0.1226991     0.1412206     55.11724 18.10880 29.12891 13.69950 25.98833       22.70694 
1 1 1 5  3  101 o 32.02943 14.20475 -0.2014833E-01 0.1250248     -0.1457310     0.1727326     0.1180399      0.1811944     32.00174 15.08129 46.06916 18.54930 -14.06742      23.90653 
1 1 1 5  3  102 o 40.03976 15.44727 0.9545320E-01  0.1209195     -0.6542671E-01 0.1527978     0.3650388      0.1977947     32.97508 15.06099 65.72707 20.00381 -32.75199      25.03969 
1 1 1 5  3  103 o 29.67994 12.94449 -0.4544043E-02 0.9988691E-01 -0.1212946     0.1381441     0.1233733      0.1445998     28.71748 13.51938 44.05191 16.91949 -15.33442      21.65740 
1 1 1 5  3  104 f 44.71521 14.88877 0.1495032      0.1076130     0.2150908      0.1504620     0.8081782E-01  0.1539744     52.42104 17.60643 41.53570 16.96141 10.88534       24.44741 
1 1 1 5  3  105 o 53.26701 15.00073 0.2233639      0.1150282     0.1401888      0.1607884     0.3105594      0.1646285     46.36219 17.83328 61.50285 18.14330 -15.14065      25.44023 
1 1 1 5  3  106 o 32.85379 13.60452 0.3536387E-01  0.1008631     -0.6516860E-02 0.1402705     0.8020166E-01  0.1451380     34.55965 15.19878 40.70083 16.52625 -6.141178      22.45262 
1 1 1 5  3  107 o 34.31087 13.96233 0.4952413E-01  0.1038803     0.5070754E-01  0.1449923     0.4827601E-01  0.1489037     38.49760 16.15467 38.69773 16.31171 -0.2001381     22.95747 
1 1 1 5  3  108 o 63.80666 14.76227 0.3244612      0.1274813     0.2727974      0.1795164     0.3770204      0.1810653     57.10049 19.23109 66.45251 18.85771 -9.352013      26.93415 
1 1 1 5  3  109 o 81.49412 13.01955 0.5141928      0.1415764     0.5099502      0.1990758     0.5185342      0.2013825     76.72065 18.91235 77.30953 18.99986 -0.5888824     26.80805 
1 1 1 5  3  110 o 79.19057 13.42361 0.4959240      0.1415417     0.3351738      0.1981148     0.6635227      0.2022909     60.35313 20.20335 88.51619 17.17020 -28.16306      26.51399 
1 1 1 5  3  111 o 70.63847 14.33597 0.4107548      0.1350539     0.3700234      0.1892664     0.4530092      0.1927721     62.39767 19.66730 69.56070 19.35955 -7.163029      27.59701 
1 1 1 5  3  112 o 44.93694 15.93486 0.1728488      0.1238937     0.2854454      0.1606217     0.7454673E-02  0.1946712     54.82800 18.18667 37.63791 17.11652 17.19009       24.97459 
1 1 1 5  3  113 o 37.85131 15.94170 0.9114669E-01  0.1420347     -0.3602466E-01 0.2203777     0.1815063      0.1857635     36.59812 17.18057 45.03322 18.53742 -8.435101      25.27465 
1 1 1 5  3  114 f 27.99338 13.18377 -0.5956100E-01 0.1316116     -0.4243499E-01 0.1868548     -0.7642274E-01 0.1854075     33.00432 15.59397 31.78803 15.16605 1.216288       21.75272 
1 1 1 5  3  115 o 24.70088 11.92878 -0.1005640     0.1228371     0.1605809E-01  0.1764595     -0.2102099     0.1711002     32.90028 15.42192 25.96329 12.84966 6.936995       20.07360 
1 1 1 5  3  116 o 31.24381 14.45073 0.5449022E-01  0.1469442     0.4870826E-01  0.2097096     0.6006737E-01  0.2059619     32.85385 15.79522 33.09665 15.84336 -0.2427940     22.37188 
1 1 1 5  3  117 o 24.76395 12.04663 -0.4651046E-01 0.1313124     -0.6506693E-01 0.1891743     -0.2925591E-01 0.1824175     26.97349 13.37820 27.52906 13.55689 -0.5555782     19.04640 
1 1 1 5  3  118 o 24.27424 12.02852 -0.2201979E-01 0.1516380     -0.1008063     0.1940550     0.1015287      0.2430064     24.07186 12.16012 27.65762 13.92577 -3.585756      18.48771 
1 1 1 5  3  119 o 25.52036 13.14326 0.4823996      0.3603379     0.000000       0.000000      0.4823996      0.3603379     ?        ?        25.52036 13.14326 0.000000       13.14326 
1 1 1 5  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  0   o 396.1993 23.39482 10.99775       1.269670      0.000000       0.000000      10.99775       1.269670      396.1993 23.39482 396.1993 23.39482 0.000000       0.000000 
1 1 1 5  4  1   o 440.6201 13.59150 13.44408       0.8269318     12.94955       1.009953      14.44995       1.440387      432.0861 16.92751 454.9791 23.00178 -22.89307      28.55910 
1 1 1 5  4  2   o 226.1419 11.20994 3.537959       0.3500437     3.673127       0.4055957     3.143408       0.6929599     229.9943 12.82241 211.0333 24.21907 18.96100       27.40397 
1 1 1 5  4  3   o 145.0444 11.23528 1.464154       0.2232654     1.580252       0.2580849     1.118862       0.4450844     150.5810 12.52603 124.2533 26.73431 26.32771       29.52329 
1 1 1 5  4  4   o 529.3778 11.97078 19.39350       0.8750366     19.08053       1.005005      20.37425       1.779063      524.8790 13.86664 540.7288 23.82725 -15.84973      27.56849 
1 1 1 5  4  5   o 345.5169 13.14091 8.265715       0.6269495     8.001021       0.7628165     8.816717       1.100588      339.6835 16.26326 355.1700 22.55844 -15.48651      27.80965 
1 1 1 5  4  6   o 132.8698 13.04475 1.233990       0.2362456     1.329848       0.2894510     1.042712       0.4088776     137.6524 15.49796 120.0262 25.45956 17.62626       29.80563 
1 1 1 5  4  7   o 151.3769 12.96453 1.598075       0.2683761     1.733868       0.3287978     1.327013       0.4645432     157.4276 15.31958 135.7110 25.73144 21.71669       29.94656 
1 1 1 5  4  8   o 599.9553 12.27518 24.91435       1.016915      24.00199       1.416229      25.88544       1.461091      588.1080 17.43968 610.7675 17.32461 -22.65948      24.58220 
1 1 1 5  4  9   o 351.9326 11.40920 8.570237       0.5544375     8.702706       0.7835641     8.437411       0.7846231     354.2602 16.01822 348.7925 16.29131 5.467651       22.84710 
1 1 1 5  4  10  o 620.4562 12.34425 26.64872       1.057581      26.14428       1.485666      27.16694       1.505830      613.7341 17.53085 625.6412 17.43060 -11.90717      24.72158 
1 1 1 5  4  11  o 225.5237 11.18523 3.519211       0.3483175     3.554522       0.4926409     3.483913       0.4925498     225.8488 15.89844 223.5611 16.06278 2.287704       22.60029 
1 1 1 5  4  12  o 154.0472 11.23946 1.650767       0.2374267     1.651946       0.3353834     1.649582       0.3361621     153.5050 16.06050 153.3856 16.11260 0.1194000      22.74984 
1 1 1 5  4  13  o 369.2384 11.49553 9.435457       0.5861030     9.255342       0.8256232     9.618439       0.8321652     365.2479 16.37028 372.3639 16.18468 -7.115967      23.02021 
1 1 1 5  4  14  o 318.6309 11.34384 7.026109       0.4990982     7.029627       0.7050862     7.022577       0.7065791     317.9244 16.11394 317.7587 16.15691 0.1657715      22.81896 
1 1 1 5  4  15  o 181.0099 11.26957 2.276247       0.2802774     2.436985       0.3971514     2.116764       0.3955975     186.8141 15.53696 173.8548 16.68382 12.95927       22.79796 
1 1 1 5  4  16  o 392.0612 11.53690 10.63983       0.6245699     10.69687       0.8843881     10.58307       0.8821666     392.6063 16.31352 390.5065 16.36004 2.099823       23.10372 
1 1 1 5  4  17  o 665.9462 12.58073 30.71496       1.156866      31.34523       1.648799      30.10381       1.623602      671.6956 17.77695 658.2401 17.86312 13.45551       25.20141 
1 1 1 5  4  18  o 287.0591 11.34663 5.704143       0.4497551     5.758272       0.6367803     5.650261       0.6353216     287.5931 16.09983 284.8563 16.21923 2.736816       22.85318 
1 1 1 5  4  19  o 321.3176 11.43591 7.147741       0.5073917     7.074241       0.7175810     7.221233       0.7175394     318.7931 16.35644 322.5302 16.11155 -3.737152      22.95898 
1 1 1 5  4  20  o 414.7929 11.66593 11.91364       0.6681725     11.89221       0.9458033     11.93500       0.9440762     413.8061 16.55259 414.5587 16.49237 -0.7526550     23.36636 
1 1 1 5  4  21  o 200.5633 11.27354 2.793829       0.3109458     2.822518       0.4407238     2.765393       0.4387704     200.9916 16.01286 198.9196 16.11272 2.071945       22.71632 
1 1 1 5  4  22  o 519.5068 11.98081 18.69532       0.8594397     18.66684       1.216893      18.72366       1.213975      518.2398 17.00527 519.0416 16.93830 -0.8017578     24.00177 
1 1 1 5  4  23  o 93.84601 11.75792 0.6195631      0.1490201     0.5745729      0.2111375     0.6642213      0.2103572     89.34332 17.74022 96.45805 16.37940 -7.114731      24.14540 
1 1 1 5  4  24  f 311.2078 11.38501 6.708772       0.4892399     6.769556       0.6931428     6.648426       0.6906435     311.6837 16.16084 308.8583 16.25126 2.825409       22.91891 
1 1 1 5  4  25  o 318.5832 13.18423 7.040034       0.5799834     6.990190       1.004714      7.064944       0.7102776     315.0931 23.25658 318.3646 16.21081 -3.271484      28.34888 
1 1 1 5  4  26  o 298.4380 16.25880 6.213495       0.6674824     6.264246       0.9432923     6.162599       0.9446346     298.1034 23.09641 295.5993 23.33286 2.504150       32.83088 
1 1 1 5  4  27  o 177.1685 23.51741 2.239963       0.5611089     2.239963       0.5611089     0.000000       0.000000      177.1685 23.51741 ?        ?        0.000000       23.51741 
1 1 1 5  4  28  o 258.3434 16.20213 4.664588       0.5750477     4.664588       0.5750477     0.000000       0.000000      258.3434 16.20213 ?        ?        0.000000       16.20213 
1 1 1 5  4  29  o 182.6831 13.25702 2.329916       0.3321349     2.091022       0.5677786     2.454189       0.4095107     170.5766 24.83478 187.0543 16.00900 -16.47763      29.54749 
1 1 1 5  4  30  o 340.5156 10.33859 8.036565       0.4861119     7.922872       0.7654085     8.113425       0.6293291     337.0993 16.44362 341.6998 13.33813 -4.600464      21.17306 
1 1 1 5  4  31  o 259.6252 9.301901 4.669419       0.3334698     4.554212       0.4698678     4.786339       0.4733467     255.6050 13.35916 262.4276 13.06267 -6.822556      18.68423 
1 1 1 5  4  32  o 61.66922 11.39922 0.2722856      0.9349370E-01 0.2445550      0.1490970     0.2902557      0.1200228     58.67017 17.25452 63.35493 14.08457 -4.684757      22.27316 
1 1 1 5  4  33  o 283.8199 10.24273 5.586761       0.4014178     5.887057       0.6357417     5.387659       0.5176620     289.9953 15.93754 278.2581 13.47288 11.73718       20.86921 
1 1 1 5  4  34  o 198.6889 9.248640 2.736256       0.2537403     2.703594       0.3577907     2.769305       0.3599046     196.6605 13.25298 199.0611 13.16811 -2.400635      18.68263 
1 1 1 5  4  35  o 227.7843 9.273817 3.597160       0.2916891     3.742175       0.4127460     3.452474       0.4122758     231.5195 12.96301 222.2436 13.49839 9.275909       18.71486 
1 1 1 5  4  36  o 232.6846 9.292240 3.754692       0.2985562     3.641927       0.4212284     3.868528       0.4232232     228.2303 13.42528 235.3208 13.07636 -7.090454      18.74112 
1 1 1 5  4  37  o 106.2159 9.540057 0.7890867      0.1384273     0.6839033      0.1943372     0.8974210      0.1972264     97.86124 14.84775 112.7732 12.89741 -14.91199      19.66720 
1 1 1 5  4  38  o 258.5111 9.300113 4.637715       0.3319750     4.732237       0.4708572     4.544287       0.4681217     260.1430 13.15076 254.8631 13.34833 5.279831       18.73820 
1 1 1 5  4  39  o 126.3121 9.481436 1.114020       0.1641636     1.151347       0.2327434     1.077064       0.2315858     127.7276 13.39578 123.4038 13.82859 4.323807       19.25297 
1 1 1 5  4  40  o 292.5986 9.374358 5.946550       0.3787493     6.313022       0.5402936     5.592459       0.5310897     300.6448 13.01482 282.8181 13.59949 17.82669       18.82370 
1 1 1 5  4  41  o 305.7402 9.404504 6.494764       0.3970329     6.845394       0.5669890     6.157414       0.5561464     312.9512 13.12079 296.6809 13.57568 16.27029       18.88000 
1 1 1 5  4  42  o 234.0177 9.320975 3.805700       0.3011952     3.933389       0.4288070     3.681353       0.4231579     236.7958 13.16645 228.9838 13.44213 7.811981       18.81612 
1 1 1 5  4  43  f 138.9498 8.314708 1.345051       0.1587975     1.359244       0.2250671     1.330982       0.2240834     139.0505 11.83456 137.5706 11.91393 1.479843       16.79281 
1 1 1 5  4  44  o 256.1133 8.099138 4.553438       0.2864237     4.606202       0.4062632     4.501291       0.4038757     256.8959 11.45282 253.9378 11.51814 2.958130       16.24299 
1 1 1 5  4  45  o 50.47015 9.999125 0.1834954      0.6722036E-01 0.1894556      0.9526397E-01 0.1775850      0.9486517E-01 51.06296 13.35781 49.52760 13.50115 1.535358       18.99242 
1 1 1 5  4  46  o 103.8192 8.315045 0.7534530      0.1182008     0.7157295      0.1676505     0.7907394      0.1666762     100.4124 12.35193 105.7757 11.60215 -5.363266      16.94638 
1 1 1 5  4  47  o 180.1623 8.073119 2.254413       0.2008368     2.254565       0.2847303     2.254262       0.2833270     179.2486 11.56548 179.2506 11.50775 -0.2029419E-02 16.31529 
1 1 1 5  4  48  o 163.3319 8.798396 1.860367       0.1977006     1.890223       0.2615719     1.820588       0.3019332     164.0390 11.62324 160.4201 13.76387 3.618881       18.01510 
1 1 1 5  4  49  o 188.5873 9.388472 2.475474       0.2444812     2.464595       0.3465392     2.486256       0.3449633     186.9020 13.51889 187.7623 13.39319 -0.8603668     19.02992 
1 1 1 5  4  50  o 379.2478 9.543881 10.01234       0.4997883     10.00919       0.8640869     10.01392       0.6126713     376.0509 16.64075 378.4879 11.72297 -2.436951      20.35540 
1 1 1 5  4  51  o 124.9608 9.575800 1.093098       0.1639721     1.111428       0.2323464     1.074910       0.2314393     125.1364 13.66897 122.9893 13.87021 2.147079       19.47366 
1 1 1 5  4  52  o 131.5892 8.796775 1.208845       0.1589177     1.144402       0.2104841     1.294285       0.2423589     127.3795 12.11271 135.2936 13.13879 -7.914055      17.87024 
1 1 1 5  4  53  o 216.8113 8.109217 3.263793       0.2427722     3.105917       0.3415681     3.424973       0.3451228     210.5242 11.79750 221.2271 11.33597 -10.70293      16.36109 
1 1 1 5  4  54  o 149.2762 8.754292 1.553573       0.1796577     1.541045       0.2376866     1.570271       0.2743979     148.1035 11.71824 149.0998 13.47360 -0.9963074     17.85651 
1 1 1 5  4  55  o 208.5335 9.332836 3.023685       0.2687370     3.051169       0.3795348     2.996052       0.3805702     208.3282 13.26267 206.3841 13.42735 1.944107       18.87306 
1 1 1 5  4  56  o 106.4650 10.01857 0.7956416      0.1455502     0.9031974      0.2515274     0.7414949      0.1784654     111.9720 16.78541 102.1724 12.93977 9.799591       21.19405 
1 1 1 5  4  57  o 148.5836 8.949556 1.539287       0.1827590     1.689122       0.2816264     1.430284       0.2402075     154.7924 13.30539 142.5697 12.32286 12.22263       18.13522 
1 1 1 5  4  58  o 178.3778 8.773376 2.210037       0.2160954     2.165409       0.2848720     2.270522       0.3316425     175.7586 11.80656 179.5908 13.47175 -3.832199      17.91321 
1 1 1 5  4  59  o 120.7283 9.172345 1.018623       0.1517637     1.050451       0.1997041     0.9751155      0.2334862     122.0970 12.00028 116.9711 14.78615 5.125931       19.04303 
1 1 1 5  4  60  o 187.4928 8.171137 2.439700       0.2115461     2.387709       0.2984058     2.492229       0.2999429     184.6089 11.76753 188.6663 11.56933 -4.057404      16.50225 
1 1 1 5  4  61  o 138.3487 8.350313 1.333466       0.1587727     1.279980       0.2241408     1.387333       0.2249383     134.8483 12.16864 140.5311 11.69814 -5.682816      16.87964 
1 1 1 5  4  62  o 71.66611 9.760941 0.3637269      0.9407985E-01 0.3763160      0.1329387     0.3510959      0.1331596     72.11201 13.85422 69.50951 14.34921 2.602501       19.94590 
1 1 1 5  4  63  o 207.9933 8.197405 3.003249       0.2354311     3.019485       0.3322037     2.986866       0.3337009     207.6651 11.63198 206.5070 11.75125 1.158081       16.53465 
1 1 1 5  4  64  o 75.24486 9.766492 0.4004937      0.9908048E-01 0.4890964      0.1400931     0.3118205      0.1401488     82.69172 12.67323 65.24778 15.73767 17.44394       20.20606 
1 1 1 5  4  65  o 235.3809 8.214918 3.848198       0.2670007     3.752616       0.3759966     3.945425       0.3792160     231.4130 11.80606 237.6407 11.55654 -6.227646      16.52080 
1 1 1 5  4  66  o 246.3558 8.234915 4.216502       0.2801301     4.039463       0.3939267     4.397621       0.3984396     240.3214 11.87094 250.8478 11.50308 -10.52637      16.52997 
1 1 1 5  4  67  o 173.4345 8.299806 2.090573       0.1987656     2.041425       0.2799563     2.140529       0.2822519     170.3727 11.97627 174.5285 11.78100 -4.155807      16.79950 
1 1 1 5  4  68  o 241.1444 8.236997 4.042359       0.2742736     3.886077       0.3861275     4.201513       0.3896594     235.2706 11.92468 245.0491 11.51580 -9.778473      16.57744 
1 1 1 5  4  69  o 127.4893 8.602019 1.136027       0.1505445     1.142008       0.2125177     1.130002       0.2132885     127.0347 12.26795 126.3291 12.38651 0.7056351      17.43354 
1 1 1 5  4  70  o 118.3086 9.476841 0.9821517      0.1535171     1.012461       0.2019602     0.9406710      0.2362658     119.4569 12.42566 114.2840 15.36087 5.172836       19.75736 
1 1 1 5  4  71  o 141.1830 10.11784 1.399608       0.1959380     1.389440       0.2782400     1.409610       0.2759704     139.3963 14.67588 140.4939 14.43050 -1.097565      20.58205 
1 1 1 5  4  72  o 161.9047 9.889049 1.837802       0.2200212     1.967425       0.3843818     1.774635       0.2683276     165.1174 17.10721 158.4089 12.36524 6.708496       21.10819 
1 1 1 5  4  73  o 210.2792 8.882041 3.082799       0.2578974     2.797775       0.3410721     3.463320       0.3940899     199.0171 12.47436 221.3165 12.95212 -22.29944      17.98241 
1 1 1 5  4  74  o 106.4408 9.578366 0.7974865      0.1392711     0.7315630      0.1857875     0.8820524      0.2104232     100.8898 13.68972 110.8287 14.06679 -9.938896      19.62863 
1 1 1 5  4  75  o 73.35174 10.23102 0.3834261      0.1008046     0.3510513      0.1420673     0.4162533      0.1430564     68.99021 15.31279 75.51205 14.24222 -6.521843      20.91226 
1 1 1 5  4  76  o 79.62045 10.63798 0.4516425      0.1140310     0.4349135      0.1524449     0.4728930      0.1718157     77.05190 14.86683 80.09716 16.09340 -3.045265      21.90936 
1 1 1 5  4  77  o 48.19246 12.82985 0.1695919      0.8688985E-01 0.1884767      0.1216583     0.1499285      0.1241409     51.26880 15.70512 47.25547 15.99187 4.013329       22.41407 
1 1 1 5  4  78  o 133.8950 10.20025 1.262161       0.1871689     1.117080       0.3153824     1.341041       0.2325488     122.9196 19.21006 137.4243 12.38816 -14.50466      22.85810 
1 1 1 5  4  79  o 129.4191 10.45694 1.181096       0.1852742     1.205182       0.2585369     1.155669       0.2656421     129.4419 14.72688 126.4387 15.54252 3.003151       21.41146 
1 1 1 5  4  80  o 132.3792 9.634791 1.231824       0.1749081     1.358172       0.2291045     1.055294       0.2708077     138.3462 12.11510 120.2762 16.76139 18.07002       20.68139 
1 1 1 5  4  81  o 100.7340 9.571371 0.7158004      0.1315342     0.8563023      0.1861991     0.5758452      0.1858365     109.4888 12.54224 88.58339 15.77100 20.90544       20.15024 
1 1 1 5  4  82  o 155.8395 8.795739 1.700549       0.1884992     1.629259       0.2660792     1.772376       0.2670799     151.3271 12.85545 158.0575 12.33504 -6.730453      17.81617 
1 1 1 5  4  83  o 82.50349 10.11521 0.4837311      0.1128213     0.6232823      0.1598689     0.3452760      0.1592399     93.11255 12.77062 68.00790 17.00273 25.10464       21.26456 
1 1 1 5  4  84  o 122.2772 9.237160 1.051093       0.1548125     1.109083       0.2185295     0.9926687      0.2193485     124.5985 12.88791 117.5267 13.77780 7.071823       18.86600 
1 1 1 5  4  85  o 34.37719 10.98710 0.8150260E-01  0.5891011E-01 0.1660350      0.8283853E-01 -0.4988226E-02 0.8379263E-01 47.60599 12.45758 27.90460 12.01334 19.70139       17.30640 
1 1 1 5  4  86  o 94.11929 10.27265 0.6289563      0.1313375     0.5911923      0.1854794     0.6669326      0.1860004     89.66351 15.54440 95.70026 14.53234 -6.036758      21.27950 
1 1 1 5  4  87  o 71.62157 11.84131 0.3714689      0.1130143     0.3635108      0.1593581     0.3795213      0.1602989     69.59145 16.77924 71.15295 16.61650 -1.561501      23.61464 
1 1 1 5  4  88  o 132.2209 9.466362 1.232769       0.1716873     1.444378       0.2437921     1.024560       0.2418249     142.0952 12.55430 118.5279 15.11993 23.56734       19.65255 
1 1 1 5  4  89  o 83.37649 11.40465 0.5007973      0.1278571     0.6401554      0.1806795     0.3610133      0.1809554     93.38901 14.48000 68.76045 18.60633 24.62856       23.57681 
1 1 1 5  4  90  o 85.62056 11.32039 0.5288019      0.1305554     0.4328622      0.1831645     0.6278818      0.1861379     75.14787 17.90626 91.99198 15.18345 -16.84411      23.47704 
1 1 1 5  4  91  o 76.79137 12.98945 0.4343255      0.1328223     0.4596644      0.1723136     0.3972288      0.2084938     77.70764 16.56515 71.16436 20.24993 6.543282       26.16226 
1 1 1 5  4  92  o 54.77190 17.53554 0.2243411      0.1500097     0.2562355      0.2459233     0.2054416      0.1893077     60.42174 22.30848 54.47477 19.65536 5.946968       29.73217 
1 1 1 5  4  93  o 77.60214 16.07197 0.4624777      0.1665523     0.6135554      0.2884919     0.3869505      0.2039787     85.51514 23.64102 69.50364 20.10829 16.01150       31.03613 
1 1 1 5  4  94  o 115.0602 11.00325 0.9594371      0.1726856     0.8243585      0.2304770     1.132321       0.2607425     103.4972 16.69541 122.1777 15.82744 -18.68050      23.00531 
1 1 1 5  4  95  o 39.91611 14.15782 0.1074769      0.9780696E-01 0.1005368      0.1369643     0.1146988      0.1397166     42.18703 16.39402 43.56747 16.65549 -1.380440      23.37026 
1 1 1 5  4  96  o 80.17647 12.35380 0.4798384      0.1323758     0.3740948      0.1862953     0.5876792      0.1881334     67.58284 19.11058 86.68793 16.31572 -19.10509      25.12801 
1 1 1 5  4  97  o 42.94771 14.78081 0.1324444      0.1061130     0.1791416      0.1425892     0.7448290E-01  0.1588587     49.14334 17.12131 41.74562 17.15843 7.397717       24.23945 
1 1 1 5  4  98  o 31.20338 13.09282 0.2276151E-01  0.9522726E-01 0.5422344E-01  0.1414670     -0.3306333E-02 0.1287701     38.71623 16.07849 33.56411 14.66629 5.152122       21.76276 
1 1 1 5  4  99  o 45.34676 16.56751 0.1437209      0.1351075     0.1347820      0.1945093     0.1520544      0.1878085     47.98885 19.25518 48.76755 19.12853 -0.7787018     27.14153 
1 1 1 5  4  100 o 37.84714 14.55615 0.8373806E-01  0.1071154     -0.4237485E-01 0.1373320     0.2796367      0.1711622     32.28609 14.55930 58.51614 18.73077 -26.23005      23.72372 
1 1 1 5  4  101 o 48.79296 14.92478 0.1848481      0.1099151     0.4582810E-01  0.1560990     0.3215573      0.1547961     39.38249 16.65615 62.83946 17.29475 -23.45697      24.01116 
1 1 1 5  4  102 o 63.52444 14.22220 0.3146097      0.1216446     0.2746215      0.1729677     0.3537436      0.1711101     58.05758 18.85423 65.48363 18.24460 -7.426052      26.23637 
1 1 1 5  4  103 o 45.10203 14.45211 0.1541463      0.1018761     0.2426034      0.1451764     0.6832449E-01  0.1429975     55.07490 17.20362 39.73929 16.30020 15.33561       23.69939 
1 1 1 5  4  104 o 31.54416 13.27190 0.2312086E-01  0.9828339E-01 0.7817366E-02  0.1400854     0.3795645E-01  0.1379272     35.40514 15.38677 37.10689 15.67316 -1.701752      21.96362 
1 1 1 5  4  105 o 52.93089 14.97838 0.2218206      0.1143982     0.3628494      0.1635088     0.8659132E-01  0.1601116     66.36009 17.56814 42.22263 17.27522 24.13746       24.63885 
1 1 1 5  4  106 o 58.26513 15.10238 0.2721176      0.1225064     0.2992299      0.1749498     0.2460339      0.1715993     59.59175 18.92232 54.87450 18.80067 4.717255       26.67432 
1 1 1 5  4  107 o 61.73407 14.91102 0.3074089      0.1256778     0.4974774      0.1805930     0.1289122      0.1750092     77.20240 17.36187 45.42511 18.25108 31.77729       25.19001 
1 1 1 5  4  108 o 78.07082 13.36752 0.4798639      0.1389221     0.4477470      0.1985543     0.5106641      0.1944413     70.37563 19.66956 76.32182 18.61639 -5.946198      27.08250 
1 1 1 5  4  109 o 70.66997 14.23766 0.4080359      0.1341326     0.5712518      0.1915409     0.2509726      0.1878959     80.73884 17.67124 52.96898 19.50964 27.76986       26.32297 
1 1 1 5  4  110 o 69.91989 15.54924 0.4210976      0.1462410     0.4596379      0.1916738     0.3674097      0.2262265     69.12727 19.32756 59.33718 21.47483 9.790096       28.89157 
1 1 1 5  4  111 o 30.88380 13.98829 -0.1136651E-01 0.1283942     0.9779565E-01  0.1993026     -0.8881136E-01 0.1678700     41.23729 18.12660 31.23090 14.76357 10.00638       23.37812 
1 1 1 5  4  112 o 23.10548 11.30800 -0.1676193     0.1208394     -0.2044326     0.1699663     -0.1299921     0.1718346     27.19175 13.32957 29.42235 14.18372 -2.230597      19.46420 
1 1 1 5  4  113 o 39.65337 16.84061 0.1516580      0.1606421     0.1968975      0.2290267     0.1078471      0.2253816     42.18885 18.93254 38.70855 17.90096 3.480309       26.05543 
1 1 1 5  4  114 o 23.13257 11.35495 -0.1371709     0.1246559     -0.1874044     0.1746679     -0.8502690E-01 0.1779584     25.95393 12.86956 28.62695 13.94759 -2.673023      18.97790 
1 1 1 5  4  115 o 32.90678 15.12243 0.1251379      0.1572781     0.1603025      0.2226041     0.9008625E-01  0.2222461     33.97812 16.31952 32.16699 15.65353 1.811131       22.61327 
1 1 1 5  4  116 o 32.86485 15.62378 0.2457476      0.1931798     0.2185151      0.2399200     0.2959507      0.3257530     31.05275 15.34038 31.09203 15.71222 -0.3927422E-01 21.95908 
1 1 1 5  4  117 o 22.67190 11.60535 -0.1309517     0.2264476     0.000000       0.000000      -0.1309517     0.2264476     ?        ?        22.67190 11.60535 0.000000       11.60535 
1 1 1 5  4  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  0   o 269.5959 23.23691 5.159633       0.8502432     0.000000       0.000000      5.159633       0.8502432     269.5959 23.23691 269.5959 23.23691 0.000000       0.000000 
1 1 1 5  5  1   o 229.5506 16.04955 3.677505       0.5055193     2.782957       0.7042349     4.628438       0.7260906     197.4817 26.49381 256.8351 20.64831 -59.35333      33.58980 
1 1 1 5  5  2   o 301.8774 11.41150 6.310971       0.4756760     6.340158       0.5509013     6.225454       0.9429903     302.4195 13.19247 297.5539 23.13294 4.865570       26.63032 
1 1 1 5  5  3   o 494.3231 11.89783 16.92700       0.8121131     16.84444       0.9374335     17.17535       1.625861      492.8364 13.77526 495.4732 23.76431 -2.636780      27.46816 
1 1 1 5  5  4   o 292.2457 11.30672 5.914594       0.4562710     5.852394       0.5262241     6.102998       0.9158511     290.5526 13.11620 294.6747 22.68269 -4.122101      26.20189 
1 1 1 5  5  5   o 128.4995 11.38505 1.152471       0.1999192     1.248076       0.2312196     0.8693178      0.3979203     133.5984 12.68606 109.1467 26.63705 24.45171       29.50370 
1 1 1 5  5  6   o 59.19671 13.75158 0.2527849      0.1102582     0.2509719      0.1343858     0.2565190      0.1928592     59.14287 16.04714 61.57771 19.90064 -2.434845      25.56455 
1 1 1 5  5  7   o 69.34091 13.85370 0.3452922      0.1280051     0.3248797      0.1560831     0.3872229      0.2237038     67.06651 16.86987 73.59512 20.98736 -6.528610      26.92697 
1 1 1 5  5  8   o 80.54363 13.73856 0.4624539      0.1473137     0.4041211      0.1794720     0.5829138      0.2579061     74.73367 17.66992 89.61536 21.17763 -14.88170      27.58112 
1 1 1 5  5  9   o 112.9526 13.21398 0.8966769      0.2021999     0.8717173      0.2469663     0.9474274      0.3521591     110.7697 16.66253 114.3801 23.09282 -3.610443      28.47663 
1 1 1 5  5  10  o 221.4279 12.97692 3.411373       0.3950402     3.460478       0.4831673     3.312357       0.6860970     222.6085 15.82177 216.3135 23.33995 6.295029       28.19719 
1 1 1 5  5  11  o 380.4177 13.29828 10.03823       0.6985447     9.747191       0.8502591     10.64261       1.225276      374.4010 16.44661 389.2806 22.89547 -14.87964      28.19030 
1 1 1 5  5  12  o 415.7398 13.43628 11.99167       0.7713269     11.97288       0.9424567     12.02977       1.342330      414.9084 16.45020 413.6554 23.59860 1.253052       28.76635 
1 1 1 5  5  13  o 380.2509 16.37766 10.05770       0.8599241     9.495463       1.201821      10.64750       1.230935      367.2100 23.83092 389.1830 23.00792 -21.97296      33.12518 
1 1 1 5  5  14  o 59.05486 16.29285 0.2500173      0.1371856     0.3243687      0.1915898     0.1717873      0.1965237     67.45147 19.48041 54.88501 19.99215 12.56646       27.91366 
1 1 1 5  5  15  o 169.1223 23.60346 2.044338       0.5361835     0.000000       0.000000      2.044338       0.5361835     ?        ?        169.1223 23.60346 0.000000       23.60346 
1 1 1 5  5  16  o 201.5096 16.11405 2.843679       0.4446214     0.000000       0.000000      2.843679       0.4446214     ?        ?        201.5096 16.11405 0.000000       16.11405 
1 1 1 5  5  17  o 474.6188 16.89490 15.69486       1.107232      0.000000       0.000000      15.69486       1.107232      ?        ?        474.6188 16.89490 0.000000       16.89490 
1 1 1 5  5  18  o 193.5042 23.02563 2.665756       0.6031547     0.000000       0.000000      2.665756       0.6031547     ?        ?        193.5042 23.02563 0.000000       23.02563 
1 1 1 5  5  19  o 369.8196 13.33821 9.500651       0.6811227     9.005113       0.8296283     10.52534       1.193001      359.4188 16.71648 386.4734 22.45221 -27.05460      27.99183 
1 1 1 5  5  20  o 67.50891 14.20151 0.3287398      0.1281888     0.2009890      0.1572961     0.5813663      0.2211951     54.78518 17.98903 89.60979 18.48992 -34.82460      25.79694 
1 1 1 5  5  21  o 488.9292 11.91200 16.59251       0.8042085     16.75789       1.140296      16.42885       1.134372      490.0588 16.85122 485.1993 16.93158 4.859497       23.88812 
1 1 1 5  5  22  o 102.8769 11.64327 0.7438923      0.1624864     0.7870046      0.2300841     0.7009993      0.2294980     104.9925 16.40738 98.75067 17.46983 6.241837       23.96659 
1 1 1 5  5  23  o 76.01357 12.22224 0.4113063      0.1239390     0.4199450      0.1755315     0.4027176      0.1750221     76.05868 17.12585 74.45087 17.34669 1.607811       24.37627 
1 1 1 5  5  24  o 198.8250 11.36885 2.753143       0.3108272     2.806007       0.4408252     2.700873       0.4383376     199.8705 16.10953 196.0170 16.34387 3.853592       22.94862 
1 1 1 5  5  25  o 70.93868 12.37129 0.3597888      0.1167748     0.3687513      0.1665695     0.3511266      0.1637555     71.21539 17.14474 69.50321 17.16462 1.712173       24.26038 
1 1 1 5  5  26  o 124.9255 11.51617 1.093146       0.1964174     1.097514       0.2787306     1.088838       0.2768314     124.2169 16.67122 123.7265 16.62434 0.4904022      23.54354 
1 1 1 5  5  27  o 340.8833 11.53461 8.074159       0.5429335     8.151703       0.7698212     7.997415       0.7658421     341.4251 16.32888 338.1595 16.40135 3.265625       23.14382 
1 1 1 5  5  28  f 217.6784 11.36490 3.301615       0.3404160     3.308022       0.4825964     3.295271       0.4802540     216.8673 16.23356 216.4588 16.18497 0.4085693      22.92339 
1 1 1 5  5  29  o 71.34053 12.61279 0.3646839      0.1197019     0.3975873      0.1694817     0.3319336      0.1690872     73.87516 16.97139 67.55627 17.85598 6.318886       24.63461 
1 1 1 5  5  30  o 347.6116 11.54661 8.406331       0.5542257     8.553171       0.7857652     8.260955       0.7818365     349.3235 16.29022 343.2390 16.49610 6.084595       23.18389 
1 1 1 5  5  31  o 224.6608 11.40036 3.520797       0.3524993     3.496743       0.4988343     3.544788       0.4981849     222.6954 16.33608 224.2676 16.19635 -1.572144      23.00411 
1 1 1 5  5  32  o 118.0137 11.67651 0.9791438      0.1877793     0.9718503      0.2662055     0.9863670      0.2649192     116.4029 17.06919 117.3425 16.83214 -0.9395218     23.97245 
1 1 1 5  5  33  o 95.14477 12.04393 0.6408617      0.1546876     0.6070929      0.2199592     0.6739047      0.2175826     91.25091 18.09604 96.52775 16.94227 -5.276840      24.78926 
1 1 1 5  5  34  o 188.4531 11.48896 2.483667       0.2975381     2.427207       0.4202426     2.540419       0.4213242     185.0048 16.62811 189.4073 16.26735 -4.402435      23.26200 
1 1 1 5  5  35  o 52.89854 13.47317 0.2032205      0.9868264E-01 0.3128029      0.1390832     0.9212775E-01  0.1400384     65.44697 15.60930 43.50461 16.66439 21.94236       22.83314 
1 1 1 5  5  36  o 396.2782 9.825454 10.92204       0.5376390     10.19917       0.7534746     11.67185       0.7673891     381.3770 14.30791 408.2816 13.61187 -26.90463      19.74840 
1 1 1 5  5  37  o 72.52699 10.42602 0.3736282      0.1014117     0.2933539      0.1430546     0.4547225      0.1437836     63.32765 16.27205 79.50378 13.58531 -16.17614      21.19765 
1 1 1 5  5  38  o 263.3817 9.464569 4.825090       0.3442107     5.093020       0.4882087     4.560257       0.4853787     269.6801 13.11048 254.6178 13.85773 15.06233       19.07672 
1 1 1 5  5  39  f 56.44419 11.00133 0.2297073      0.8266233E-01 0.1695236      0.1161688     0.2914352      0.1176497     49.21497 15.39184 63.25834 13.85267 -14.04337      20.70761 
1 1 1 5  5  40  o 539.2111 10.00013 20.25057       0.7445646     20.04836       1.048148      20.45654       1.057866      534.1382 14.21120 539.5563 14.19894 -5.418091      20.08901 
1 1 1 5  5  41  o 47.12107 11.21315 0.1612013      0.7190289E-01 0.1837303      0.9956688E-01 0.1366468      0.1039465     50.36661 13.87399 44.81308 14.61917 5.553535       20.15460 
1 1 1 5  5  42  o 89.55941 11.09161 0.5683113      0.1342312     0.5249073      0.1709569     0.6380863      0.2167561     85.10637 15.10044 93.43069 17.44285 -8.324318      23.07111 
1 1 1 5  5  43  o 155.8915 10.39758 1.701964       0.2225329     1.849673       0.2867859     1.478448       0.3527852     161.9352 12.93354 143.0893 18.27242 18.84584       22.38655 
1 1 1 5  5  44  o 49.52646 12.84567 0.1782907      0.8859236E-01 0.1487097      0.1105505     0.2313847      0.1481074     46.56149 15.06903 56.89919 17.30828 -10.33770      22.94890 
1 1 1 5  5  45  o 70.94544 12.28183 0.3619246      0.1159599     0.3622995      0.1807883     0.3616626      0.1511476     70.10539 18.43178 70.22926 15.94995 -0.1238632     24.37481 
1 1 1 5  5  46  o 62.88429 12.82363 0.2867469      0.1075759     0.1607690      0.1672080     0.3757188      0.1405194     51.37577 18.48051 71.83797 14.66216 -20.46220      23.59042 
1 1 1 5  5  47  o 130.1985 10.50144 1.189048       0.1871901     1.130914       0.2428368     1.274173       0.2938530     126.1308 14.18932 133.3963 16.29176 -7.265411      21.60459 
1 1 1 5  5  48  o 62.40201 13.56202 0.2833660      0.1135216     0.3165573      0.1339923     0.1989452      0.2136939     65.80074 15.07125 57.40235 20.85665 8.398388       25.73213 
1 1 1 5  5  49  o 89.41741 12.44308 0.5694870      0.1494703     0.4132705      0.2077561     0.7371088      0.2152065     74.80826 19.80225 101.1021 15.94381 -26.29388      25.42311 
1 1 1 5  5  50  o 197.4747 10.36891 2.723378       0.2817478     2.714743       0.4428952     2.729249       0.3651638     195.4519 16.56644 196.9102 13.51192 -1.458313      21.37800 
1 1 1 5  5  51  o 149.8703 10.51642 1.571982       0.2162531     1.611110       0.3398560     1.545360       0.2803257     150.2350 16.66341 147.8465 13.89436 2.388443       21.69614 
1 1 1 5  5  52  o 123.5617 10.79328 1.071632       0.1823033     0.9836103      0.2916535     1.128076       0.2335513     116.4016 18.78513 126.2051 13.61770 -9.803459      23.20179 
1 1 1 5  5  53  o 266.6389 10.39804 4.950086       0.3828360     4.871588       0.6091390     5.001336       0.4921909     262.2056 16.91449 267.2939 13.33542 -5.088257      21.53911 
1 1 1 5  5  54  o 103.5637 9.385606 0.7515535      0.1327590     0.7155731      0.1737545     0.8020205      0.2057819     100.3825 12.82889 105.9987 14.43485 -5.616219      19.31179 
1 1 1 5  5  55  o 375.1047 8.329882 9.766744       0.4314489     9.958195       0.6123911     9.578055       0.6079548     377.7649 11.74003 370.4354 11.88559 7.329468       16.70616 
1 1 1 5  5  56  o 165.7007 8.466779 1.911140       0.1930760     1.869573       0.2732326     1.952596       0.2728691     163.1687 12.21576 166.8371 11.92325 -3.668381      17.07011 
1 1 1 5  5  57  o 222.9688 8.186561 3.450488       0.2520482     3.422667       0.3569873     3.478142       0.3559151     221.1572 11.73194 222.9801 11.59963 -1.822876      16.49818 
1 1 1 5  5  58  o 223.2394 8.218537 3.459302       0.2533397     3.454534       0.3588786     3.464038       0.3576775     222.1660 11.74023 222.4868 11.68347 -0.3208618     16.56310 
1 1 1 5  5  59  o 114.4734 8.571431 0.9151810      0.1345031     0.9130156      0.1906104     0.9173287      0.1898241     113.6453 12.34523 113.9351 12.25870 -0.2898102     17.39771 
1 1 1 5  5  60  f 150.1227 8.372251 1.569977       0.1728597     1.540624       0.2448754     1.599132       0.2440477     147.9936 12.08852 150.8575 11.81002 -2.863846      16.89997 
1 1 1 5  5  61  o 154.4301 8.323499 1.661377       0.1768354     1.580452       0.2503181     1.741999       0.2498485     149.8355 12.20477 157.5022 11.56917 -7.666687      16.81672 
1 1 1 5  5  62  o 67.38100 9.631568 0.3223594      0.8706343E-01 0.2736401      0.1234084     0.3706356      0.1228461     61.14983 14.77941 71.67873 12.88545 -10.52890      19.60780 
1 1 1 5  5  63  o 190.3222 8.232426 2.517111       0.2163492     2.539695       0.3064347     2.494665       0.3054953     190.1969 11.72516 188.4777 11.79776 1.719238       16.63330 
1 1 1 5  5  64  o 58.80511 10.73720 0.2488046      0.8397280E-01 0.2886773      0.1187674     0.2089479      0.1187435     62.85296 14.03899 53.69891 15.28274 9.154049       20.75224 
1 1 1 5  5  65  o 288.2870 8.279722 5.779114       0.3295937     5.712164       0.4660293     5.846112       0.4662025     285.5595 11.81894 288.9351 11.68521 -3.375549      16.62021 
1 1 1 5  5  66  o 252.4061 8.279107 4.431723       0.2885501     4.290296       0.4069431     4.574730       0.4092094     247.3558 11.91444 255.5269 11.59768 -8.171097      16.62708 
1 1 1 5  5  67  o 23.79066 9.669511 0.1573421E-01  0.4974606E-01 0.1322549      0.6556825E-01 -0.1423070     0.7636201E-01 42.67546 11.04250 18.55436 9.061180 24.12110       14.28432 
1 1 1 5  5  68  o 43.39603 13.91656 0.1303506      0.9445121E-01 0.8366730E-02  0.1506584     0.2093395      0.1212341     38.31607 16.29161 53.67354 15.49469 -15.35747      22.48337 
1 1 1 5  5  69  o 99.00539 11.35845 0.6959938      0.1524700     0.5944706      0.2514343     0.7550383      0.1917478     88.79124 20.86158 102.4986 13.90709 -13.70734      25.07215 
1 1 1 5  5  70  o 138.3958 9.125874 1.341805       0.1734167     1.258173       0.2321710     1.447348       0.2608174     133.0594 12.79416 142.6032 13.40278 -9.543808      18.52903 
1 1 1 5  5  71  o 29.52394 7.766801 0.6283262E-01  0.3208901E-01 0.1961379E-01  0.4480594E-01 0.1083425      0.4597817E-01 23.30921 9.279064 38.66547 8.808410 -15.35626      12.79410 
1 1 1 5  5  72  o 183.6591 9.042891 2.353397       0.2293283     2.385307       0.3045695     2.311622       0.3484874     183.7796 12.06902 180.1649 14.12115 3.614624       18.57600 
1 1 1 5  5  73  o 101.6980 10.48445 0.7316687      0.1451186     0.8222496      0.2023648     0.6357721      0.2082178     106.9130 14.04783 92.95911 16.84149 13.95386       21.93120 
1 1 1 5  5  74  o 75.14429 10.80970 0.4036126      0.1089341     0.3996601      0.1601145     0.4070187      0.1486370     73.45947 16.21868 74.43649 14.97981 -0.9770126     22.07805 
1 1 1 5  5  75  o 123.6633 9.781604 1.075928       0.1656646     0.9677327      0.2545724     1.155403       0.2181845     115.2624 16.46279 127.4284 12.56343 -12.16602      20.70901 
1 1 1 5  5  76  o 326.5612 9.841453 7.461121       0.4437739     7.521111       0.6257139     7.400406       0.6294854     325.7339 13.91153 322.9861 14.11444 2.747803       19.81787 
1 1 1 5  5  77  o 30.87574 11.52144 0.5136967E-01  0.6594035E-01 0.6480853E-01  0.7994547E-01 0.2276974E-01  0.1166259     34.22283 12.70271 34.97036 14.56709 -0.7475319     19.32767 
1 1 1 5  5  78  o 85.32411 10.34616 0.5173438      0.1194032     0.5561605      0.1710413     0.4804447      0.1667631     87.33953 14.70490 80.81535 15.50805 6.524178       21.37133 
1 1 1 5  5  79  o 71.44019 10.74637 0.3657312      0.1027260     0.3254852      0.1469769     0.4041671      0.1436336     66.15633 16.21525 74.20775 14.53746 -8.051422      21.77779 
1 1 1 5  5  80  o 83.27830 10.84945 0.4947390      0.1217979     0.6076761      0.1743435     0.3870722      0.1702268     91.48522 14.26659 71.94907 17.33848 19.53615       22.45348 
1 1 1 5  5  81  o 51.65689 12.97271 0.1960531      0.9240456E-01 0.1948856      0.1318378     0.1971804      0.1295517     52.20801 16.40834 52.37596 16.23367 -0.1679497     23.08172 
1 1 1 5  5  82  o 71.27595 11.77314 0.3670355      0.1118249     0.3798658      0.1603552     0.3548892      0.1560225     71.33817 16.59208 68.93705 16.59110 2.401115       23.46405 
1 1 1 5  5  83  o 97.23887 10.09335 0.6702041      0.1335487     0.7923979      0.1917045     0.5549877      0.1861507     104.8071 13.56484 86.62196 16.15754 18.18515       21.09670 
1 1 1 5  5  84  o 72.65865 12.03757 0.3825387      0.1165434     0.4172156      0.1666188     0.3493219      0.1630729     74.67287 16.59035 68.14803 17.29933 6.524834       23.96886 
1 1 1 5  5  85  o 24.65175 10.43623 0.3824285E-02  0.6137871E-01 0.2925099E-01  0.8853322E-01 -0.1970709E-01 0.8516966E-01 31.55131 12.87025 26.94138 11.84590 4.609930       17.49196 
1 1 1 5  5  86  f 101.1616 10.10211 0.7273846      0.1392256     0.7468861      0.1997646     0.7089645      0.1941450     100.9485 14.76789 98.31013 14.75744 2.638405       20.87757 
1 1 1 5  5  87  o 41.73538 12.82825 0.1251924      0.8109108E-01 -0.3725973E-01 0.1156225     0.2824543      0.1137604     30.47985 13.58077 61.57789 13.72922 -31.09804      19.31137 
1 1 1 5  5  88  o 36.19572 12.99031 0.8171953E-01  0.8257215E-01 0.6204105E-01  0.1082712     0.1090763      0.1276584     36.82185 14.49796 42.92152 16.02797 -6.099670      21.61219 
1 1 1 5  5  89  o 125.9604 11.52783 1.142882       0.1982789     1.184962       0.2762157     1.098147       0.2847987     125.7853 16.28539 120.2130 17.68589 5.572273       24.04173 
1 1 1 5  5  90  o 50.93495 15.81087 0.1942186      0.1228390     0.3075040      0.2314558     0.1497980      0.1449351     63.28946 21.82695 47.42041 17.18466 15.86905       27.78000 
1 1 1 5  5  91  o 87.74999 11.60379 0.5635712      0.1371510     0.4958642      0.1870524     0.6422942      0.2016960     79.51388 17.51013 91.28174 16.61411 -11.76786      24.13780 
1 1 1 5  5  92  o 35.60703 13.19753 0.7680397E-01  0.8623392E-01 0.7222860E-01  0.1239138     0.8110079E-01  0.1200828     38.78651 15.43400 39.18110 15.31576 -0.3945847     21.74353 
1 1 1 5  5  93  o 31.52800 13.07656 0.2786938E-01  0.9340220E-01 0.1132950      0.1343149     -0.5212290E-01 0.1299734     42.96761 16.35312 31.08563 14.07739 11.88197       21.57771 
1 1 1 5  5  94  o 42.88492 14.07105 0.1351869      0.9624666E-01 0.1738056      0.1340159     0.9405239E-01  0.1383124     48.40022 16.61351 41.55355 16.37824 6.846664       23.32928 
1 1 1 5  5  95  o 33.92942 13.74493 0.4733776E-01  0.1001471     0.7985941E-01  0.1461028     0.1851510E-01  0.1375433     40.99862 16.60415 35.96729 15.43601 5.031334       22.67087 
1 1 1 5  5  96  o 38.32133 14.60911 0.8784040E-01  0.1073059     0.1206257      0.1764519     0.6860013E-01  0.1351739     46.00378 18.38167 39.13705 15.92681 6.866730       24.32178 
1 1 1 5  5  97  o 62.15892 15.84694 0.3080676      0.1364266     0.1844478      0.1853020     0.4543889      0.2015996     50.93348 19.25009 73.54486 19.52518 -22.61139      27.41895 
1 1 1 5  5  98  o 18.92964 9.020397 -0.7936233E-01 0.6517509E-01 -0.7039794E-01 0.7377736E-01 -0.1112193     0.1390801     21.12653 9.924988 29.26346 13.70895 -8.136932      16.92456 
1 1 1 5  5  99  o 85.99244 11.89848 0.5521990      0.1374975     0.6703632      0.1975148     0.4410931      0.1915250     92.23196 16.09431 72.76366 18.89451 19.46830       24.81994 
1 1 1 5  5  100 o 42.97244 13.86744 0.1381630      0.9367409E-01 0.1442480      0.1356013     0.1326085      0.1295557     45.38208 16.59513 43.99516 16.20078 1.386925       23.19189 
1 1 1 5  5  101 o 28.12866 12.10958 0.3190152E-02  0.8513758E-01 0.1316208      0.1225599     -0.1165800     0.1183555     43.50377 15.79689 26.21057 12.39223 17.29320       20.07758 
1 1 1 5  5  102 o 51.87952 15.02251 0.2119609      0.1138020     0.1578572      0.1622494     0.2643531      0.1596625     47.72187 18.01854 57.01585 18.07376 -9.293983      25.52114 
1 1 1 5  5  103 o 70.18899 14.09191 0.3842289      0.1318316     0.5973537      0.1883141     0.1793905      0.1846170     86.38197 16.38736 50.12070 19.14920 36.26127       25.20392 
1 1 1 5  5  104 f 45.56466 15.72968 0.1577482      0.1202192     0.1792918      0.1655410     0.1337069      0.1748739     49.02673 18.26286 46.04289 18.33074 2.983837       25.87563 
1 1 1 5  5  105 o 134.7398 11.11082 1.355644       0.2048752     1.638620       0.2748021     1.001536       0.3074062     145.2591 13.86910 105.0574 21.90060 40.20172       25.92274 
1 1 1 5  5  106 f 40.87341 15.11189 0.1216894      0.1129265     0.1473267      0.1599432     0.9620613E-01  0.1594623     45.15315 17.66878 41.50437 17.13968 3.648781       24.61614 
1 1 1 5  5  107 o 44.43463 15.45763 0.1609938      0.1162037     0.1625374      0.1646256     0.1594610      0.1640497     45.69342 17.91299 45.45088 17.86168 0.2425423      25.29654 
1 1 1 5  5  108 o 65.43331 15.91905 0.3773735      0.1424587     0.5937585      0.1856058     0.6713608E-01  0.2222414     81.43317 17.05298 41.78709 18.70824 39.64607       25.31407 
1 1 1 5  5  109 o 41.44868 16.79744 0.1375757      0.1496299     -0.2996242E-01 0.2369172     0.2487481      0.1929915     37.79730 17.76595 49.53306 19.40137 -11.73576      26.30670 
1 1 1 5  5  110 o 35.32898 15.54839 0.6380904E-01  0.1470312     0.6230286E-01  0.2141659     0.6515184E-01  0.2022155     38.33578 17.62818 37.98015 17.33889 0.3556290      24.72630 
1 1 1 5  5  111 o 31.85341 14.55746 0.2765716E-01  0.1430229     0.5920244E-01  0.2103452     0.5328356E-03  0.1950495     36.07290 16.88630 33.50486 15.86128 2.568039       23.16737 
1 1 1 5  5  112 o 30.66377 14.13683 0.4229761E-01  0.1389625     0.2168466      0.2031060     -0.1113222     0.1905406     39.15083 17.67565 28.34833 13.94003 10.80251       22.51118 
1 1 1 5  5  113 o 36.57517 16.63228 0.2371919      0.1837793     0.3254175      0.2370905     0.1043845      0.2908894     37.63082 17.71421 32.16430 16.05560 5.466522       23.90765 
1 1 1 5  5  114 o 27.98881 13.80983 0.8701595E-01  0.1923771     0.1611179E-01  0.2983680     0.1374651      0.2516770     27.57002 14.04473 28.90082 14.50013 -1.330797      20.18683 
1 1 1 5  5  115 o 21.41152 10.90096 -0.1220347     0.1777388     0.000000       0.000000      -0.1220347     0.1777388     ?        ?        21.41152 10.90096 0.000000       10.90096 
1 1 1 5  5  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  1   o 338.2166 16.45724 7.990584       0.7685817     7.516421       1.090179      8.459151       1.083727      324.9005 24.48004 345.4326 22.84960 -20.53217      33.48696 
1 1 1 5  6  2   o 109.6007 16.74507 0.8580038      0.2453763     0.7651144      0.3486888     0.9491302      0.3453641     101.9203 24.97241 114.0664 22.72520 -12.14613      33.76471 
1 1 1 5  6  3   o 134.8305 13.27689 1.276747       0.2439783     1.364360       0.3005029     1.107294       0.4179167     138.9214 15.95493 122.7706 25.48642 16.15077       30.06854 
1 1 1 5  6  4   o 178.0401 13.07587 2.216613       0.3192108     2.222355       0.3914094     2.205210       0.5516021     177.6887 16.12838 175.1832 23.38720 2.505447       28.40926 
1 1 1 5  6  5   o 184.3145 13.03393 2.374709       0.3295819     2.229351       0.4022305     2.671698       0.5749432     177.8699 16.56759 193.5068 21.90315 -15.63693      27.46330 
1 1 1 5  6  6   f 111.5879 13.31734 0.8785284      0.2011440     0.7967945      0.2454386     1.045700       0.3510131     105.3642 17.48272 120.0004 21.99427 -14.63621      28.09615 
1 1 1 5  6  7   o 141.2984 13.11562 1.400806       0.2529781     1.400790       0.3088333     1.400840       0.4410423     140.7127 16.18981 138.8469 23.86427 1.865845       28.83771 
1 1 1 5  6  8   o 154.6609 13.12279 1.676197       0.2776048     1.631163       0.3387816     1.768232       0.4843136     151.9185 16.41065 156.5759 23.09420 -4.657410      28.33110 
1 1 1 5  6  9   o 275.9739 13.10254 5.300431       0.4993001     5.331941       0.6103442     5.236680       0.8681542     275.7833 16.09756 271.0228 23.42851 4.760437       28.42581 
1 1 1 5  6  10  o 162.7708 11.36002 1.849144       0.2537242     1.918581       0.3567721     1.778090       0.3609039     164.9901 15.85537 158.5894 16.73349 6.400742       23.05217 
1 1 1 5  6  11  o 183.8069 11.30005 2.355519       0.2854110     2.385062       0.4024174     2.325617       0.4048578     184.0705 15.99160 181.6749 16.31258 2.395599       22.84363 
1 1 1 5  6  12  o 187.2007 11.27072 2.443194       0.2899798     2.324657       0.4083399     2.563790       0.4118696     181.5777 16.46533 190.9162 15.76454 -9.338486      22.79535 
1 1 1 5  6  13  o 199.2551 11.26711 2.767084       0.3087284     2.735863       0.4357134     2.798562       0.4375079     197.1537 16.14669 199.4422 16.02182 -2.288422      22.74674 
1 1 1 5  6  14  o 147.2198 11.31536 1.514904       0.2282630     1.475804       0.3223123     1.554248       0.3233154     144.3073 16.47028 148.2307 16.05258 -3.923325      22.99904 
1 1 1 5  6  15  f 220.9131 11.31322 3.400840       0.3439429     3.457717       0.4868380     3.344163       0.4859807     221.7429 16.00759 217.9886 16.26240 3.754333       22.81903 
1 1 1 5  6  16  o 66.34413 12.30536 0.3160297      0.1085780     0.3530020      0.1528764     0.2783960      0.1542378     69.63814 16.20317 62.09188 17.32961 7.546253       23.72463 
1 1 1 5  6  17  o 262.6833 11.35896 4.798894       0.4120113     4.775968       0.5818370     4.821954       0.5835106     260.5837 16.25122 261.8487 16.21822 -1.264923      22.95937 
1 1 1 5  6  18  o 95.54092 11.77553 0.6446716      0.1520611     0.7207881      0.2145901     0.5679038      0.2155064     100.2312 16.04620 88.27628 18.28145 11.95496       24.32472 
1 1 1 5  6  19  o 166.8850 11.40972 1.946771       0.2613474     1.863902       0.3677908     2.031291       0.3714382     162.1436 16.66430 169.4880 16.06296 -7.344391      23.14557 
1 1 1 5  6  20  o 151.4085 11.38762 1.604377       0.2363354     1.591965       0.3337097     1.616867       0.3347503     149.7431 16.40793 150.9427 16.32078 -1.199570      23.14277 
1 1 1 5  6  21  o 125.4318 11.51517 1.104554       0.1972149     1.262899       0.2792822     0.9470636      0.2785274     133.3684 15.45157 114.5729 18.21518 18.79549       23.88606 
1 1 1 5  6  22  o 121.7027 11.54202 1.040786       0.1916440     0.9886534      0.2704130     1.093394       0.2716423     117.3349 17.20096 123.7347 16.29531 -6.399803      23.69410 
1 1 1 5  6  23  o 313.5071 11.48090 6.847974       0.4970058     6.934969       0.7026735     6.760880       0.7030714     313.6595 16.27994 309.5982 16.50567 4.061310       23.18348 
1 1 1 5  6  24  o 190.3247 11.38799 2.532778       0.2979074     2.523513       0.4205597     2.542108       0.4220535     188.7434 16.29663 189.4431 16.29284 -0.6997223     23.04424 
1 1 1 5  6  25  o 350.6272 11.60427 8.571510       0.5618252     8.742212       0.7962228     8.402243       0.7928695     352.4064 16.36262 345.3788 16.62524 7.027557       23.32668 
1 1 1 5  6  26  o 198.3250 11.42070 2.751137       0.3114360     2.721994       0.4400468     2.780384       0.4408281     195.9298 16.41655 198.0834 16.26042 -2.153580      23.10637 
1 1 1 5  6  27  o 153.2044 11.51815 1.646242       0.2418811     1.701778       0.3425618     1.591023       0.3415832     154.6019 16.29199 149.2684 16.86858 5.333496       23.45160 
1 1 1 5  6  28  o 70.87328 12.65590 0.3614784      0.1193108     0.3789428      0.1683906     0.3438720      0.1690734     71.83431 17.20361 68.44334 17.74276 3.390968       24.71375 
1 1 1 5  6  29  o 238.9024 11.43397 3.983272       0.3771861     3.897258       0.5327279     4.069736       0.5341181     234.3863 16.56692 239.6652 16.23543 -5.278870      23.19595 
1 1 1 5  6  30  o 263.0604 11.46210 4.831115       0.4163490     4.932259       0.5902663     4.730967       0.5873573     263.8536 16.28073 258.2821 16.55629 5.571472       23.22010 
1 1 1 5  6  31  o 190.7470 11.48575 2.549779       0.3011099     2.626139       0.4273461     2.474490       0.4243372     192.1910 16.25548 186.3851 16.66351 5.805939       23.27903 
1 1 1 5  6  32  o 177.9417 11.51601 2.220732       0.2814385     2.220661       0.3986751     2.220803       0.3973564     176.4884 16.55269 176.5138 16.49402 -0.2534485E-01 23.36759 
1 1 1 5  6  33  o 289.0112 11.52271 5.836388       0.4598404     5.695327       0.6499628     5.977754       0.6506627     283.1949 16.69515 290.3431 16.29542 -7.148224      23.32957 
1 1 1 5  6  34  o 167.0216 11.55946 1.958692       0.2649533     1.853005       0.3741702     2.064981       0.3752333     160.8338 17.11100 170.1928 16.16082 -9.358994      23.53632 
1 1 1 5  6  35  o 360.1613 11.66945 9.068577       0.5803441     9.078662       0.8215585     9.058532       0.8199049     358.0803 16.61576 357.6913 16.60035 0.3889465      23.48733 
1 1 1 5  6  36  o 319.8799 11.62840 7.152452       0.5136233     6.974644       0.7245160     7.332096       0.7282443     313.3756 16.80470 321.5069 16.45915 -8.131256      23.52236 
1 1 1 5  6  37  o 162.8061 11.65526 1.861737       0.2602843     1.831652       0.3683834     1.891729       0.3678125     159.9811 16.93346 162.7188 16.60266 -2.737717      23.71477 
1 1 1 5  6  38  o 254.3290 11.53821 4.519083       0.4052026     4.442242       0.5733338     4.595767       0.5727528     250.0346 16.70226 254.4696 16.38736 -4.434952      23.39895 
1 1 1 5  6  39  o 211.1833 13.46352 3.140368       0.3905595     3.320609       0.6833236     3.052919       0.4759662     213.0172 23.62945 207.0947 16.78894 5.922516       28.98654 
1 1 1 5  6  40  o 98.70633 25.15110 0.7358153      0.3437829     0.7358153      0.3437829     0.000000       0.000000      98.70633 25.15110 ?        ?        0.000000       25.15110 
1 1 1 5  6  41  f 135.3839 17.23616 1.316817       0.3149075     1.316817       0.3149075     0.000000       0.000000      135.3839 17.23616 ?        ?        0.000000       17.23616 
1 1 1 5  6  42  o 344.7088 16.71049 8.397808       0.7953888     9.820624       1.143697      7.065062       1.106905      368.6743 22.57496 310.1696 26.08704 58.50470       34.49873 
1 1 1 5  6  43  o 191.7144 10.35516 2.567345       0.2731089     2.572971       0.4287633     2.563504       0.3542777     190.2540 16.48386 190.7919 13.53548 -0.5378876     21.32901 
1 1 1 5  6  44  o 352.0772 10.48099 8.634426       0.5095397     8.760597       0.8037402     8.549641       0.6588604     352.3398 16.52023 349.2687 13.66142 3.071106       21.43717 
1 1 1 5  6  45  o 240.5555 10.41761 4.029755       0.3460360     4.123478       0.5487897     3.967899       0.4458346     241.2275 16.57619 237.6006 13.64629 3.626892       21.47071 
1 1 1 5  6  46  o 82.55582 11.80513 0.4849868      0.1307407     0.5968815      0.2137345     0.4180864      0.1652661     90.39425 17.75712 75.63873 16.30377 14.75552       24.10660 
1 1 1 5  6  47  o 318.1601 10.45779 7.048375       0.4594346     6.894106       0.7251003     7.151852       0.5938547     312.1191 16.88723 319.6018 13.45653 -7.482666      21.59298 
1 1 1 5  6  48  o 201.5923 9.430783 2.825167       0.2625184     2.768327       0.3701919     2.882667       0.3723316     198.3773 13.59644 202.5060 13.39098 -4.128693      19.08354 
1 1 1 5  6  49  o 69.48674 11.18444 0.3448363      0.1036720     0.2850984      0.1450517     0.4072196      0.1482287     62.49017 16.54846 74.90083 14.85664 -12.41065      22.23896 
1 1 1 5  6  50  o 240.1167 9.444148 4.008226       0.3131288     3.894910       0.4416244     4.122789       0.4440476     235.4425 13.64255 242.3499 13.32044 -6.907364      19.06708 
1 1 1 5  6  51  o 87.57183 10.35131 0.5411219      0.1227483     0.4943120      0.1724498     0.5891933      0.1747580     82.52282 15.70770 90.57505 14.45930 -8.052231      21.34955 
1 1 1 5  6  52  o 264.1092 9.481004 4.850145       0.3457609     4.875114       0.4892981     4.825241       0.4886620     263.5057 13.49288 262.1334 13.54674 1.372314       19.11994 
1 1 1 5  6  53  f 66.56676 11.48575 0.3177087      0.1017588     0.2778728      0.1429510     0.3586301      0.1448859     61.69886 16.47082 70.09075 15.39154 -8.391888      22.54302 
1 1 1 5  6  54  o 65.75011 11.77202 0.3107364      0.1029526     0.2475741      0.1449452     0.3750477      0.1462577     58.54675 16.95412 71.71253 15.23999 -13.16578      22.79692 
1 1 1 5  6  55  o 99.75450 10.23950 0.7002355      0.1390419     0.7692294      0.1963054     0.6307763      0.1969662     103.7878 14.05961 93.37868 15.84209 10.40912       21.18123 
1 1 1 5  6  56  o 234.6501 9.513550 3.832107       0.3082487     3.754327       0.4358158     3.909967       0.4360432     230.8711 13.73281 235.7170 13.45256 -4.845963      19.22397 
1 1 1 5  6  57  o 128.5770 9.899978 1.158284       0.1744145     1.235300       0.2473301     1.082098       0.2459941     131.9380 13.77921 123.1413 14.76135 8.796677       20.19317 
1 1 1 5  6  58  o 182.1079 9.642467 2.316280       0.2416046     2.373498       0.3423250     2.259491       0.3410395     183.3144 13.62129 178.7428 13.92771 4.571579       19.48129 
1 1 1 5  6  59  o 99.59624 10.44291 0.6995521      0.1414792     0.6313974      0.1985393     0.7698670      0.2016609     93.24026 15.99670 103.5867 14.49578 -10.34640      21.58755 
1 1 1 5  6  60  o 84.16110 11.36607 0.5041367      0.1287081     0.5492516      0.1807700     0.4577515      0.1832977     86.86604 15.64634 78.76155 17.32492 8.104492       23.34439 
1 1 1 5  6  61  o 175.7553 9.714583 2.160855       0.2348452     2.100883       0.3316593     2.221161       0.3325852     172.0626 14.08281 177.0709 13.70931 -5.008331      19.65377 
1 1 1 5  6  62  o 86.04453 12.17869 0.5294862      0.1406564     0.4887179      0.1782281     0.5968063      0.2290278     81.54453 16.39704 89.57353 19.10014 -8.029007      25.17297 
1 1 1 5  6  63  o 79.78030 12.74589 0.4583053      0.1356857     0.4070321      0.1717037     0.5435665      0.2214164     74.10666 17.12369 85.31596 19.25229 -11.20930      25.76570 
1 1 1 5  6  64  f 106.9703 11.72011 0.8121947      0.1702804     1.048162       0.2715249     0.6592342      0.2186117     120.1321 16.83062 94.66418 17.36427 25.46794       24.18238 
1 1 1 5  6  65  o 221.9681 11.87957 3.470347       0.3627869     3.432039       0.5201046     3.506648       0.5062904     218.2918 17.39953 221.0164 16.71317 -2.724579      24.12620 
1 1 1 5  6  66  o 140.0859 11.00584 1.383632       0.2111764     1.382959       0.2775569     1.384556       0.3254175     138.9413 14.68990 138.0158 17.46647 0.9255066      22.82260 
1 1 1 5  6  67  o 46.79435 12.69462 0.1593941      0.8410817E-01 0.1700027      0.9722950E-01 0.1278536      0.1676500     48.42548 13.84555 48.42926 18.30866 -0.3780365E-02 22.95444 
1 1 1 5  6  68  o 138.6197 9.829775 1.349725       0.1869309     1.466833       0.2612230     1.226817       0.2676131     143.5425 13.33158 130.5901 15.12058 12.95238       20.15845 
1 1 1 5  6  69  o 98.90983 10.06126 0.6911783      0.1355005     0.7590030      0.1880085     0.6178691      0.1954622     102.7889 13.57866 91.87070 15.98882 10.91818       20.97671 
1 1 1 5  6  70  o 115.0013 9.520211 0.9302090      0.1498181     0.9455186      0.2230667     0.9176279      0.2022142     114.6252 14.41205 113.2738 13.17448 1.351395       19.52624 
1 1 1 5  6  71  o 217.4048 9.046124 3.299468       0.2715624     3.240893       0.4166197     3.342739       0.3580865     213.3141 14.22592 217.6241 11.96226 -4.309967      18.58688 
1 1 1 5  6  72  o 63.62654 12.46176 0.2948110      0.1055681     0.3084423      0.1449537     0.2794146      0.1540532     64.44975 16.28241 61.47445 17.37661 2.975300       23.81309 
1 1 1 5  6  73  o 121.5416 9.941482 1.040555       0.1653850     0.8679765      0.2132176     1.301212       0.2620385     109.6851 14.42798 134.6811 14.30949 -24.99600      20.32063 
1 1 1 5  6  74  o 42.19686 11.10280 0.1295746      0.6556649E-01 0.1506557      0.9230945E-01 0.1081096      0.9314626E-01 45.77045 13.60671 40.54542 13.85174 5.225033       19.41683 
1 1 1 5  6  75  o 107.1721 9.280665 0.8085178      0.1359849     0.6583832      0.1931745     0.9560000      0.1914604     95.02099 15.23781 115.8648 12.14781 -20.84385      19.48744 
1 1 1 5  6  76  o 184.4977 8.653152 2.375565       0.2204465     2.355305       0.3125359     2.395625       0.3109868     182.2560 12.49423 183.8828 12.31917 -1.626724      17.54616 
1 1 1 5  6  77  o 157.7687 8.832789 1.743497       0.1916498     1.705097       0.2712165     1.781793       0.2708515     154.8028 12.80309 158.3806 12.48613 -3.577759      17.88358 
1 1 1 5  6  78  o 72.48405 11.32305 0.3780659      0.1096233     0.4330725      0.1551901     0.3232848      0.1548719     76.63417 15.20247 65.78450 16.94559 10.84967       22.76550 
1 1 1 5  6  79  o 57.80515 11.75085 0.2438238      0.9059751E-01 0.2284701      0.1281894     0.2591462      0.1280591     55.68154 15.89007 59.08126 15.50277 -3.399719      22.19978 
1 1 1 5  6  80  o 91.38346 10.18891 0.5933012      0.1263792     0.6040322      0.1735629     0.5811906      0.1843815     91.03166 14.27750 88.82394 15.60244 2.207718       21.14907 
1 1 1 5  6  81  o 98.74403 10.14052 0.6920900      0.1363006     0.7345243      0.1873341     0.6443588      0.1986823     100.6227 13.84995 93.39664 15.98046 7.226013       21.14702 
1 1 1 5  6  82  o 64.66722 12.16427 0.3057176      0.1046329     0.2346453      0.1451867     0.3825209      0.1509269     56.39470 17.13274 71.50896 15.71399 -15.11426      23.24780 
1 1 1 5  6  83  o 98.38626 10.58810 0.6911319      0.1415788     0.6357861      0.1936920     0.7546266      0.2074617     92.52442 15.72328 101.1372 15.33665 -8.612747      21.96439 
1 1 1 5  6  84  o 54.95605 11.40145 0.2221311      0.8368377E-01 0.2472784      0.1180752     0.1967511      0.1186201     57.35591 14.80722 51.55223 15.44698 5.803677       21.39774 
1 1 1 5  6  85  o 160.5028 10.68445 1.837252       0.2354420     1.849329       0.2917996     1.814721       0.3985545     159.6155 13.36245 154.3105 19.11386 5.304947       23.32155 
1 1 1 5  6  86  o 124.8052 14.38031 1.150033       0.2432885     1.102813       0.3602380     1.189631       0.3298861     116.5080 23.20738 123.4125 20.04618 -6.904572      30.66646 
1 1 1 5  6  87  o 120.9786 12.38117 1.068137       0.2039135     0.9162353      0.3441648     1.150305       0.2531265     104.3475 24.33357 124.0263 15.09146 -19.67882      28.63345 
1 1 1 5  6  88  o 71.08856 12.92309 0.3783327      0.1221812     0.4207144      0.1667589     0.3292125      0.1795273     73.33173 16.82579 64.26479 18.94322 9.066948       25.33678 
1 1 1 5  6  89  o 46.03490 14.34546 0.1587494      0.1010131     0.5206394E-01  0.1383231     0.2806559      0.1478616     38.60007 15.95363 59.63466 17.08188 -21.03460      23.37325 
1 1 1 5  6  90  o 94.87356 11.14878 0.6597018      0.1432683     0.5816442      0.1918539     0.7581040      0.2154098     86.00790 16.75693 98.72912 16.37471 -12.72122      23.42916 
1 1 1 5  6  91  f 82.55746 13.08560 0.5137964      0.1441973     0.4215784      0.2010217     0.6115425      0.2069593     71.19530 19.75346 87.38366 17.75755 -16.18835      26.56181 
1 1 1 5  6  92  o 60.43474 14.52407 0.2850201      0.1196986     0.1900970      0.1743900     0.3695774      0.1645931     51.14858 18.80199 67.53760 17.50518 -16.38902      25.68942 
1 1 1 5  6  93  o 119.4820 10.96893 1.046221       0.1789487     0.7910911      0.2718383     1.241331       0.2377223     96.67829 20.96677 128.2866 13.62865 -31.60833      25.00692 
1 1 1 5  6  94  o 35.29264 13.33467 0.7433065E-01  0.8889875E-01 0.1454895      0.1044321     -0.1129331     0.1694129     44.18071 14.66499 32.85931 15.30651 11.32140       21.19790 
1 1 1 5  6  95  o 48.63100 15.69009 0.1823868      0.1199210     0.9991371E-01  0.1481274     0.3392574      0.2042914     42.46933 16.88252 63.43131 20.48014 -20.96198      26.54158 
1 1 1 5  6  96  o 55.67923 14.61008 0.2435958      0.1137359     0.1612397      0.1666570     0.3153911      0.1556049     48.31261 18.25681 62.22283 17.42044 -13.91022      25.23456 
1 1 1 5  6  97  o 37.67628 13.25439 0.9773844E-01  0.8555403E-01 0.8368482E-01  0.1252164     0.1100434      0.1171676     39.40387 15.56683 41.13338 15.35626 -1.729511      21.86643 
1 1 1 5  6  98  o 91.32710 12.08574 0.6231434      0.1486650     0.7516309      0.2218584     0.5184326      0.2002816     96.97440 17.19815 79.22574 18.62219 17.74866       25.34882 
1 1 1 5  6  99  o 97.12009 12.05485 0.7045898      0.1581860     0.8722792      0.2356260     0.5669997      0.2134342     104.7032 16.87093 82.43367 19.12140 22.26956       25.50012 
1 1 1 5  6  100 o 116.1591 11.36809 0.9996419      0.1800015     1.054890       0.2686116     0.9546110      0.2425063     114.3077 17.58140 109.5503 16.54710 4.757431       24.14357 
1 1 1 5  6  101 o 156.0586 10.61463 1.791379       0.2273746     1.969867       0.3442990     1.653328       0.3027966     157.7412 16.02983 145.2168 15.33249 12.52440       22.18199 
1 1 1 5  6  102 o 83.44549 13.09739 0.5392424      0.1459435     0.6229754      0.2098726     0.4608378      0.2030853     85.66336 18.29862 72.11336 19.79401 13.55000       26.95630 
1 1 1 5  6  103 o 162.2601 10.46360 1.961771       0.2331897     2.150500       0.3555191     1.819267       0.3089277     162.1554 16.09036 150.5135 15.06662 11.64189       22.04320 
1 1 1 5  6  104 o 42.54620 15.38962 0.1414790      0.1161594     0.1714996      0.1785552     0.1194512      0.1529497     46.90538 18.57038 42.22080 17.02737 4.684582       25.19505 
1 1 1 5  6  105 o 36.29849 14.84283 0.7702779E-01  0.1181123     0.8051443E-01  0.1668227     0.7352325E-01  0.1672502     39.67305 17.01235 39.29476 16.94451 0.3782921      24.01118 
1 1 1 5  6  106 o 32.97301 14.49311 0.2735495E-01  0.1273950     0.2697338      0.2203262     -0.9437773E-01 0.1561429     50.93968 20.47414 29.92484 14.17369 21.01484       24.90149 
1 1 1 5  6  107 o 52.94352 18.89605 0.3078803      0.1744883     0.4876896      0.2717021     0.1816693      0.2276331     58.83969 23.02754 44.14347 19.38885 14.69623       30.10308 
1 1 1 5  6  108 o 37.54403 16.11786 0.1181997      0.1500490     0.2893228      0.2350326     0.4697294E-03  0.1949473     46.41463 20.05055 33.99519 16.02105 12.41944       25.66512 
1 1 1 5  6  109 o 30.23183 13.73965 0.3710628E-01  0.1251799     -0.2131353     0.2060530     0.1834895      0.1575959     27.57647 13.72456 39.29110 16.68317 -11.71463      21.60305 
1 1 1 5  6  110 o 29.88184 14.19254 0.4005341E-01  0.1586925     0.5913905E-01  0.2145378     0.1699356E-01  0.2358189     31.71567 15.42132 31.15015 15.35443 0.5655117      21.76180 
1 1 1 5  6  111 o 29.55161 14.45959 0.1002677      0.1972582     0.3168492      0.3092348     -0.4832269E-01 0.2561374     32.52782 16.28428 27.62569 13.95717 4.902126       21.44715 
1 1 1 5  6  112 f 29.20430 14.52325 0.3000454      0.2288661     0.5031161      0.3455786     0.1413936      0.3054538     28.95292 14.78123 26.38765 13.50521 2.565269       20.02187 
1 1 1 5  6  113 o 19.21615 9.837570 -0.1456389     0.1631847     0.000000       0.000000      -0.1456389     0.1631847     ?        ?        19.21615 9.837570 0.000000       9.837570 
1 1 1 5  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  0   o 56.96054 26.07258 0.3327958      0.2236722     0.3327958      0.2236722     0.000000       0.000000      56.96054 26.07258 56.96054 26.07258 -0.000000      0.000000 
1 1 1 5  7  1   o 157.4756 13.28052 1.747170       0.2860848     1.601483       0.3498528     2.041200       0.4970170     149.6784 17.24254 167.5765 22.01180 -17.89809      27.96113 
1 1 1 5  7  2   o 128.5718 13.37519 1.168987       0.2339805     1.127258       0.2861802     1.253124       0.4063650     125.3306 16.97318 130.2257 23.46156 -4.895088      28.95744 
1 1 1 5  7  3   o 238.5150 13.17321 3.992136       0.4321737     4.065160       0.5294654     3.846356       0.7480869     239.7525 16.08646 229.9195 23.91330 9.833038       28.82048 
1 1 1 5  7  4   o 201.0526 11.47042 2.828295       0.3171195     2.998338       0.3680807     2.338576       0.6246507     206.6535 12.96486 177.7424 26.24031 28.91118       29.26844 
1 1 1 5  7  5   o 279.5182 11.46774 5.449976       0.4426149     5.002995       0.5082614     6.852813       0.9004211     266.8469 13.84143 308.9699 21.23421 -42.12305      25.34713 
1 1 1 5  7  6   o 241.3547 11.42875 4.063370       0.3808839     4.318852       0.4423115     3.330411       0.7491824     248.1419 12.95386 212.6697 26.05706 35.47217       29.09936 
1 1 1 5  7  7   o 267.0732 13.13613 4.992293       0.4844354     4.901844       0.5917738     5.176042       0.8434621     263.1867 16.36476 267.3274 23.07606 -4.140717      28.28975 
1 1 1 5  7  8   o 264.6763 13.13999 4.903514       0.4802285     4.748937       0.5858406     5.220139       0.8384511     258.9780 16.46800 268.5735 22.82506 -9.595428      28.14566 
1 1 1 5  7  9   o 211.0356 13.13844 3.129320       0.3809589     3.189702       0.4655224     3.006897       0.6628549     212.1849 16.00653 202.7320 24.15422 9.452927       28.97646 
1 1 1 5  7  10  o 251.5694 13.20593 4.443329       0.4571342     4.238786       0.5565840     4.867317       0.8013346     244.5225 16.58246 259.2944 22.60734 -14.77191      28.03693 
1 1 1 5  7  11  o 201.0002 11.44568 2.828323       0.3163555     2.677228       0.4425282     2.986251       0.4524245     194.0378 16.67854 205.2006 16.09635 -11.16278      23.17900 
1 1 1 5  7  12  o 115.4316 11.62821 0.9393854      0.1828188     0.8919354      0.2563188     0.9885201      0.2608298     111.0738 17.27335 117.2457 16.57288 -6.171913      23.93803 
1 1 1 5  7  13  o 184.4235 11.38970 2.382617       0.2886262     2.570429       0.4080668     2.194598       0.4082915     190.3915 15.66078 175.3796 17.07643 15.01192       23.17034 
1 1 1 5  7  14  o 256.8932 11.37727 4.606500       0.4035791     4.324041       0.5674235     4.895676       0.5741299     246.8025 16.74936 263.0313 15.88205 -16.22873      23.08204 
1 1 1 5  7  15  o 106.0027 11.69575 0.7940812      0.1683414     0.8120450      0.2371475     0.7758349      0.2390047     105.9780 16.76323 103.3765 17.35881 2.601563       24.13160 
1 1 1 5  7  16  o 224.8047 11.38381 3.537275       0.3522190     3.566638       0.4989375     3.508105       0.4972923     224.1829 16.22754 222.2941 16.31511 1.888763       23.01122 
1 1 1 5  7  17  o 146.9094 11.48382 1.516190       0.2311034     1.539138       0.3265679     1.493169       0.3270918     146.7382 16.39768 144.4089 16.71236 2.329300       23.41339 
1 1 1 5  7  18  o 488.5383 12.00552 16.68935       0.8098740     17.03208       1.149547      16.35160       1.141168      490.4365 16.97486 480.3762 17.20403 10.06036       24.16866 
1 1 1 5  7  19  o 219.5952 11.41613 3.377212       0.3449685     3.394763       0.4871424     3.359559       0.4885791     218.5919 16.25555 217.3964 16.39655 1.195450       23.08874 
1 1 1 5  7  20  o 193.3256 11.43243 2.620020       0.3038302     2.587592       0.4287029     2.652746       0.4306654     190.5950 16.45067 193.0451 16.30898 -2.450165      23.16479 
1 1 1 5  7  21  o 136.2825 11.55123 1.306970       0.2153278     1.285526       0.3034835     1.328709       0.3055663     133.7630 16.80161 136.0816 16.60625 -2.318604      23.62333 
1 1 1 5  7  22  o 163.3312 11.48244 1.873060       0.2573186     1.873448       0.3626268     1.872667       0.3651937     161.9486 16.44412 161.8741 16.57197 0.7449341E-01  23.34608 
1 1 1 5  7  23  o 47.66676 12.93490 0.1645327      0.8730789E-01 0.1082542      0.1216938     0.2242252      0.1253305     43.13625 15.72911 55.59296 15.65891 -12.45671      22.19474 
1 1 1 5  7  24  o 197.4986 11.43890 2.734121       0.3106152     2.766104       0.4388923     2.702027       0.4396612     197.1586 16.26670 194.7639 16.50345 2.394714       23.17260 
1 1 1 5  7  25  o 185.2073 11.46393 2.405478       0.2917355     2.382894       0.4118176     2.428230       0.4133392     182.8361 16.48935 184.6163 16.38458 -1.780182      23.24550 
1 1 1 5  7  26  o 137.3473 11.64533 1.327445       0.2187762     1.014440       0.3066749     1.651812       0.3121912     117.7956 19.53906 152.4370 15.02723 -34.64133      24.64939 
1 1 1 5  7  27  o 316.5800 11.54000 7.001820       0.5044606     7.325813       0.7164685     6.683291       0.7104004     321.6226 16.18465 306.8443 16.83094 14.77829       23.35003 
1 1 1 5  7  28  f 235.9804 13.33731 3.916865       0.4328127     4.041206       0.5293944     3.666224       0.7516189     238.6918 16.15733 223.3155 24.79330 15.37630       29.59336 
1 1 1 5  7  29  o 218.7440 16.55903 3.400474       0.4964535     3.073436       0.6986859     3.733968       0.7055469     204.0494 25.34332 226.4451 22.87822 -22.39577      34.14230 
1 1 1 5  7  30  f 165.9410 16.83431 1.966105       0.3803937     1.541943       0.5355891     2.397854       0.5403584     142.5268 28.21280 181.4386 22.01937 -38.91180      35.78848 
1 1 1 5  7  31  o 238.3907 23.98642 4.151728       0.7788533     0.000000       0.000000      4.151728       0.7788533     ?        ?        238.3907 23.98642 0.000000       23.98642 
1 1 1 5  7  32  o 143.1018 24.43137 1.520352       0.4654297     0.000000       0.000000      1.520352       0.4654297     ?        ?        143.1018 24.43137 0.000000       24.43137 
1 1 1 5  7  33  o 159.7621 16.52226 1.820102       0.3592202     1.703823       0.5068521     1.937453       0.5091839     151.4578 25.11542 162.4288 23.37584 -10.97093      34.31056 
1 1 1 5  7  34  o 100.3344 17.34256 0.7309675      0.2315791     0.7753845      0.3292762     0.6874951      0.3257568     101.7119 23.85738 95.66652 24.54055 6.045395       34.22591 
1 1 1 5  7  35  o 100.5846 12.25671 0.7170212      0.1667128     0.6661834      0.2349159     0.7686033      0.2366285     95.40565 18.49971 102.9865 17.24988 -7.580803      25.29422 
1 1 1 5  7  36  o 215.9759 11.55900 3.263721       0.3434676     3.352621       0.4871438     3.175841       0.4843413     217.4868 16.34077 211.5160 16.71958 5.970810       23.37873 
1 1 1 5  7  37  o 107.5470 12.17526 0.8177964      0.1776217     0.8572583      0.2537754     0.7798998      0.2486916     108.8659 17.47284 103.5762 18.04435 5.289780       25.11769 
1 1 1 5  7  38  o 212.4171 11.64019 3.157255       0.3401189     3.087743       0.4814101     3.226531       0.4805925     208.5423 16.86224 213.3481 16.44031 -4.805817      23.55035 
1 1 1 5  7  39  o 442.0040 11.94275 13.63770       0.7289007     13.59985       1.031539      13.67544       1.030105      438.9201 17.02011 440.1792 16.94782 -1.259064      24.01901 
1 1 1 5  7  40  o 139.0660 11.85635 1.359175       0.2254976     1.319742       0.3193470     1.398389       0.3184584     135.6353 17.45622 139.8580 16.82801 -4.222656      24.24669 
1 1 1 5  7  41  o 244.2707 11.56008 4.162135       0.3899151     4.066853       0.5515971     4.257296       0.5512496     239.5594 16.78115 245.2794 16.37009 -5.719986      23.44327 
1 1 1 5  7  42  o 85.23797 12.96873 0.5192210      0.1478266     0.5551690      0.2090661     0.4832784      0.2090505     87.07633 17.98329 80.97743 19.01981 6.098900       26.17541 
1 1 1 5  7  43  o 285.4146 11.63206 5.683322       0.4584278     5.723280       0.6496767     5.643696       0.6469613     284.4289 16.61416 282.4175 16.66391 2.011383       23.53118 
1 1 1 5  7  44  o 196.6342 11.70719 2.707370       0.3164316     2.574789       0.4479451     2.839426       0.4470599     190.1873 17.24462 200.0961 16.32261 -9.908783      23.74456 
1 1 1 5  7  45  o 284.2326 11.65833 5.637753       0.4575603     5.663202       0.6478863     5.612428       0.6462925     282.8503 16.66198 281.5616 16.69786 1.288727       23.58899 
1 1 1 5  7  46  o 329.2623 11.74494 7.568058       0.5339870     7.512655       0.7546908     7.623604       0.7556534     325.7716 16.83466 328.2248 16.72847 -2.453186      23.73284 
1 1 1 5  7  47  f 117.5887 12.35361 0.9768363      0.1975860     0.9797783      0.2800137     0.9739187      0.2788476     116.3280 18.01475 115.9788 17.99519 0.3492432      25.46288 
1 1 1 5  7  48  o 75.30991 13.97307 0.4102081      0.1399555     0.3832891      0.1971962     0.4375298      0.1986659     72.12855 19.38384 76.97030 18.84383 -4.841751      27.03374 
1 1 1 5  7  49  o 200.1202 9.481933 2.786868       0.2620147     2.702955       0.3693047     2.871918       0.3717974     195.7823 13.74787 201.9368 13.41003 -6.154465      19.20502 
1 1 1 5  7  50  o 212.4567 9.502541 3.141899       0.2787713     3.163193       0.3932276     3.120384       0.3952647     211.8906 13.51026 210.3927 13.67998 1.497971       19.22678 
1 1 1 5  7  51  o 136.7354 9.783289 1.308865       0.1834953     1.426842       0.2595542     1.190983       0.2594491     141.9719 13.39842 129.2307 14.80664 12.74121       19.96883 
1 1 1 5  7  52  o 166.1488 9.639694 1.929287       0.2202053     1.988446       0.3111851     1.869951       0.3116501     167.7097 13.55345 162.4679 14.02952 5.241852       19.50702 
1 1 1 5  7  53  o 114.5583 9.954111 0.9217516      0.1558937     1.039691       0.2202938     0.8034401      0.2206407     120.9269 13.41921 105.5420 15.61086 15.38488       20.58578 
1 1 1 5  7  54  o 140.1105 9.904956 1.375834       0.1903941     1.283025       0.2681233     1.470230       0.2704071     134.0623 14.72670 143.8901 13.77818 -9.827789      20.16715 
1 1 1 5  7  55  o 204.0786 9.569935 2.904098       0.2696773     2.922870       0.3808245     2.885216       0.3819405     203.2746 13.64678 201.9079 13.78183 1.366638       19.39519 
1 1 1 5  7  56  o 95.00892 11.96909 0.6427945      0.1535382     0.6486499      0.1948389     0.6332008      0.2493957     94.52663 15.46210 92.02132 20.18277 2.505318       25.42480 
1 1 1 5  7  57  o 225.1319 10.59114 3.545331       0.3292438     3.535978       0.4222998     3.559829       0.5257620     223.4490 13.75369 222.6279 17.23732 0.8211060      22.05197 
1 1 1 5  7  58  o 306.4827 9.652906 6.557685       0.4085093     6.650118       0.5777781     6.465289       0.5776608     306.9517 13.63180 302.5609 13.82681 4.390778       19.41666 
1 1 1 5  7  59  o 77.44492 12.30606 0.4315771      0.1271960     0.3744198      0.1997478     0.4705620      0.1649662     70.85967 19.70161 80.12888 15.46990 -9.269203      25.04938 
1 1 1 5  7  60  o 131.9407 12.25383 1.234339       0.2206990     1.038917       0.3172511     1.417601       0.3072215     118.2972 20.14370 140.1831 16.16791 -21.88589      25.82964 
1 1 1 5  7  61  o 127.5463 12.22760 1.154261       0.2127116     1.106940       0.2501385     1.277858       0.4042592     124.0781 14.89765 130.0141 23.37757 -5.935921      27.72094 
1 1 1 5  7  62  o 18.91318 8.570618 -0.2756046E-01 0.4826747E-01 -0.1677389E-01 0.6539344E-01 -0.4047047E-01 0.7154109E-01 23.60908 10.38032 22.99737 10.42668 0.6117096      14.71281 
1 1 1 5  7  63  o 120.7812 12.91581 1.039857       0.2120674     0.9791047      0.2919008     1.107766       0.3086138     115.0990 19.03160 122.6610 18.82203 -7.562042      26.76696 
1 1 1 5  7  64  o 130.8356 11.33701 1.210322       0.2027909     1.161120       0.3119584     1.246330       0.2668705     125.7207 18.52542 131.6697 14.94297 -5.949036      23.80091 
1 1 1 5  7  65  o 126.3624 11.84368 1.132311       0.2042424     1.042788       0.3319506     1.186848       0.2590892     117.9219 21.16413 128.4441 14.88405 -10.52215      25.87383 
1 1 1 5  7  66  o 138.4075 11.41975 1.354618       0.2163012     1.459365       0.3496220     1.289664       0.2753150     141.1756 18.37015 133.8264 15.16655 7.349213       23.82198 
1 1 1 5  7  67  o 77.20601 13.45438 0.4330723      0.1382204     0.4308796      0.2285050     0.4343375      0.1735764     75.53008 21.09774 76.43684 16.89508 -0.9067535     27.02884 
1 1 1 5  7  68  o 78.69216 12.41053 0.4465768      0.1303837     0.4325837      0.1826397     0.4611197      0.1861925     76.07872 17.71622 78.61034 17.59236 -2.531616      24.96709 
1 1 1 5  7  69  o 107.3799 11.21661 0.8184469      0.1638569     0.8529119      0.2300675     0.7829685      0.2334265     108.2279 15.86606 103.2346 16.96466 4.993240       23.22782 
1 1 1 5  7  70  o 128.0860 10.71222 1.158778       0.1877213     1.141950       0.2637125     1.176064       0.2672796     125.6196 15.53429 127.5182 15.49804 -1.898521      21.94319 
1 1 1 5  7  71  o 237.9338 9.882208 3.963487       0.3246744     3.890309       0.4606048     4.035754       0.4577265     233.5405 14.35281 238.0712 13.98533 -4.530685      20.03977 
1 1 1 5  7  72  o 83.23061 12.41540 0.4989571      0.1383215     0.5259899      0.1986507     0.4735152      0.1927166     83.95191 17.69434 79.50094 17.97688 4.450974       25.22416 
1 1 1 5  7  73  o 184.7400 10.28977 2.400776       0.2614435     2.376593       0.3708233     2.424679       0.3686599     181.9855 14.88713 183.9427 14.63567 -1.957230      20.87652 
1 1 1 5  7  74  o 99.43541 12.56329 0.7095174      0.1686479     0.7513459      0.2265678     0.6575451      0.2525506     100.9385 16.84960 93.09172 20.22543 7.846741       26.32446 
1 1 1 5  7  75  o 25.04974 10.37519 0.1226933E-01  0.5868052E-01 -0.9249574E-01 0.8545226E-01 0.1057593      0.8072309E-01 22.49882 10.60431 39.30626 12.88593 -16.80744      16.68827 
1 1 1 5  7  76  o 93.68993 13.02582 0.6342773      0.1639550     0.6974609      0.2211031     0.5570936      0.2443741     96.87406 17.15708 85.12579 20.93542 11.74827       27.06764 
1 1 1 5  7  77  o 36.46343 12.97996 0.8266865E-01  0.8228093E-01 0.1625002      0.1163877     0.2905308E-02  0.1163379     47.92060 15.45683 33.32713 14.24668 14.59347       21.02098 
1 1 1 5  7  78  o 97.87048 12.86508 0.6931859      0.1696484     0.6333759      0.2277023     0.7678081      0.2543400     91.28845 18.69304 100.5983 19.00643 -9.309868      26.65847 
1 1 1 5  7  79  o 117.8914 12.35207 1.000819       0.1980897     0.9970614      0.2633893     1.005713       0.3005583     115.6183 17.00618 114.7549 19.67612 0.8633957      26.00691 
1 1 1 5  7  80  o 69.21783 14.82406 0.3597659      0.1374143     0.4757613      0.1862336     0.2211413      0.2035906     78.81886 17.56108 56.74265 20.39419 22.07621       26.91309 
1 1 1 5  7  81  o 81.16094 14.00583 0.4894300      0.1512898     0.4482801      0.1648715     0.7087741      0.3806482     76.80359 16.06277 90.97252 27.76434 -14.16893      32.07602 
1 1 1 5  7  82  o 106.4245 13.68566 0.8351863      0.1964554     0.5386425      0.2895726     1.088073       0.2674088     80.50275 24.13774 120.0215 16.57792 -39.51872      29.28238 
1 1 1 5  7  83  o 88.82664 13.21233 0.5850673      0.1571195     0.6791953      0.2738453     0.5388750      0.1918364     90.87006 22.04890 83.27130 17.25116 7.598763       27.99565 
1 1 1 5  7  84  o 105.4070 11.14000 0.8077779      0.1596841     0.8812752      0.2255621     0.7339340      0.2260938     107.6754 15.62739 96.98895 17.52726 10.68647       23.48234 
1 1 1 5  7  85  o 60.85753 12.51468 0.2792266      0.1016534     0.3291175      0.1430389     0.2283174      0.1444914     64.78439 16.06811 54.31181 17.19120 10.47258       23.53128 
1 1 1 5  7  86  f 89.46242 11.54517 0.5898371      0.1392917     0.5230227      0.1939513     0.6610064      0.2001725     80.80515 17.85804 92.08673 16.34079 -11.28159      24.20601 
1 1 1 5  7  87  f 125.6435 10.58242 1.147788       0.1818864     1.247303       0.2531103     1.041526       0.2615497     128.2487 14.55036 115.3239 16.92857 12.92481       22.32240 
1 1 1 5  7  88  o 43.55299 12.91707 0.1435025      0.8326211E-01 0.1514650      0.1213060     0.1364096      0.1144902     45.57953 15.79687 43.72297 15.33570 1.856564       22.01647 
1 1 1 5  7  89  o 97.17063 12.81886 0.7089543      0.1677989     0.5339136      0.2656177     0.8252031      0.2164622     77.52033 23.08939 102.9857 15.72003 -25.46542      27.93276 
1 1 1 5  7  90  o 113.7693 14.33243 0.9882346      0.2201588     1.055439       0.3054810     0.9156042      0.3175741     112.4702 20.42238 102.0814 23.07254 10.38882       30.81259 
1 1 1 5  7  91  o 81.65144 14.15169 0.5132986      0.1537732     0.5629020      0.1930597     0.4272171      0.2543258     83.58572 17.29731 69.58092 22.87539 14.00480       28.67892 
1 1 1 5  7  92  o 46.68559 13.88273 0.1676971      0.9608230E-01 0.2370413      0.1379972     0.1024494      0.1338591     54.53577 16.72996 41.63150 16.19904 12.90427       23.28734 
1 1 1 5  7  93  o 55.92126 13.84827 0.2433383      0.1063711     0.2175357      0.1512828     0.2685681      0.1495942     52.70266 17.65462 57.68323 17.36111 -4.980572      24.76073 
1 1 1 5  7  94  o 88.01568 12.70927 0.5835220      0.1499862     0.7107489      0.2125839     0.4574174      0.2116442     94.49378 16.91359 73.34452 20.23771 21.14926       26.37488 
1 1 1 5  7  95  o 133.8308 11.17628 1.316730       0.2046440     1.316234       0.2898528     1.317222       0.2889698     129.2667 16.62400 129.3799 16.55476 -0.1131897     23.46098 
1 1 1 5  7  96  o 154.7476 10.34594 1.746854       0.2197972     1.699807       0.2966336     1.804133       0.3273051     148.7752 14.62863 152.0332 15.82291 -3.258057      21.54904 
1 1 1 5  7  97  f 69.85232 13.91728 0.3807751      0.1295233     0.2942218      0.1786840     0.4766086      0.1880195     59.17155 19.15871 75.49702 18.23983 -16.32547      26.45274 
1 1 1 5  7  98  o 148.4948 10.32450 1.621833       0.2103825     1.485376       0.2832323     1.789790       0.3142275     137.3555 15.18751 150.7117 15.31202 -13.35626      21.56661 
1 1 1 5  7  99  o 59.82917 15.63997 0.2961339      0.1306560     0.1370596      0.1843764     0.4565932      0.1851773     46.00220 18.64491 72.45349 18.45758 -26.45129      26.23576 
1 1 1 5  7  100 o 57.59894 15.59277 0.2797138      0.1270534     0.3857163      0.1817478     0.1784003      0.1776825     65.09206 19.02397 47.82270 18.64790 17.26937       26.63936 
1 1 1 5  7  101 o 42.87289 15.30910 0.1476714      0.1145443     0.1323204      0.1627754     0.1627298      0.1612162     43.23889 17.52088 45.37325 17.74336 -2.134361      24.93608 
1 1 1 5  7  102 o 140.7880 12.56839 1.587659       0.2417647     1.567010       0.3150775     1.617225       0.3770112     131.3612 17.83136 124.9037 22.69551 6.457504       28.86249 
1 1 1 5  7  103 o 42.43142 16.64818 0.1559321      0.1423004     0.4390490E-01  0.3184682     0.1838785      0.1590624     42.85809 20.28285 44.74088 17.58635 -1.882786      26.84537 
1 1 1 5  7  104 o 33.38683 15.13122 0.2624311E-01  0.1504964     0.3119178      0.3150813     -0.5819568E-01 0.1713001     48.04124 21.81993 31.34899 14.84751 16.69225       26.39238 
1 1 1 5  7  105 o 52.58464 19.98030 0.3869863      0.2002984     0.6823201      0.3900585     0.2812197      0.2334251     52.22191 23.93087 44.70477 19.63471 7.517147       30.95494 
1 1 1 5  7  106 o 21.13731 10.39387 -0.1328182     0.1059111     -0.1545821     0.2494966     -0.1280343     0.1169735     30.06525 14.98564 22.46312 11.02092 7.602129       18.60188 
1 1 1 5  7  107 o 42.63488 19.41941 0.4948104      0.2518288     0.2206395      0.3835751     0.7025140      0.3338580     33.68498 17.02576 42.52806 20.30701 -8.843075      26.50002 
1 1 1 5  7  108 o 24.26446 12.01627 -0.4713906E-01 0.1504766     -0.1335038     0.2565923     -0.1867310E-02 0.1857757     25.81245 13.13733 26.28652 13.07429 -0.4740658     18.53447 
1 1 1 5  7  109 o 26.35877 13.42624 0.2283104      0.2721155     0.000000       0.000000      0.2283104      0.2721155     ?        ?        26.35877 13.42624 0.000000       13.42624 
1 1 1 5  7  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  0   o 60.39269 27.00478 0.3728345      0.2396053     0.000000       0.000000      0.3728345      0.2396053     60.39269 27.00478 60.39269 27.00478 0.000000       0.000000 
1 1 1 5  8  1   o 68.97636 17.34336 0.3499607      0.1650143     0.2484234      0.2314685     0.4548961      0.2353099     61.98143 21.80179 78.32082 21.22768 -16.33940      30.42914 
1 1 1 5  8  2   o 116.9688 16.97880 0.9867755      0.2662176     0.7503536      0.3724903     1.233628       0.3806183     99.46069 26.60365 129.3556 22.10303 -29.89494      34.58755 
1 1 1 5  8  3   o 222.1810 16.33361 3.504767       0.4975900     3.475640       0.7034470     3.533937       0.7039503     217.9777 23.75586 219.9227 23.54705 -1.945023      33.44853 
1 1 1 5  8  4   o 157.9383 16.67689 1.781890       0.3581977     2.470671       0.5136816     1.129983       0.4997422     184.8257 20.47149 121.0182 30.04487 63.80750       36.35625 
1 1 1 5  8  5   f 154.4503 16.61654 1.704364       0.3488029     1.524465       0.4944345     1.882594       0.4921372     142.5630 26.07779 160.1273 22.91090 -17.56438      34.71254 
1 1 1 5  8  6   o 246.9154 13.46439 4.287485       0.4573300     3.684296       0.5577443     5.525195       0.7989473     227.2150 17.92258 276.9104 21.05260 -49.69539      27.64834 
1 1 1 5  8  7   o 158.5726 16.59050 1.795200       0.3578885     1.376240       0.5041528     2.220801       0.5081323     134.5352 28.04749 174.7330 21.51474 -40.19786      35.34892 
1 1 1 5  8  8   o 90.90443 17.52492 0.6040438      0.2120031     0.4199654      0.2979881     0.7927133      0.3016814     76.60580 24.73483 103.2608 21.84021 -26.65501      32.99707 
1 1 1 5  8  9   o 87.72430 17.44937 0.5631623      0.2039285     0.6420679      0.2891267     0.4850467      0.2876759     92.62304 22.76734 81.03954 24.00429 11.58350       33.08410 
1 1 1 5  8  10  o 197.0793 16.33318 2.760405       0.4404717     2.732478       0.6194978     2.788958       0.6264017     193.0919 23.73444 195.0968 23.74173 -2.004837      33.57072 
1 1 1 5  8  11  o 134.6689 16.63110 1.299590       0.3026920     1.359800       0.4246914     1.237425       0.4315328     135.4684 23.55914 128.4884 25.22315 6.980042       34.51435 
1 1 1 5  8  12  o 185.5594 13.39202 2.425528       0.3408312     2.585420       0.5825971     2.342331       0.4202508     188.1577 22.89572 181.2366 16.99120 6.921127       28.51166 
1 1 1 5  8  13  o 224.9677 16.53765 3.593246       0.5101253     0.000000       0.000000      3.593246       0.5101253     ?        ?        224.9677 16.53765 0.000000       16.53765 
1 1 1 5  8  14  o 187.6003 16.51000 2.503633       0.4233232     0.000000       0.000000      2.503633       0.4233232     ?        ?        187.6003 16.51000 0.000000       16.51000 
1 1 1 5  8  15  o 150.3447 13.39997 1.596063       0.2752664     1.694925       0.4765053     1.546549       0.3372267     151.6662 23.51437 147.0105 16.92126 4.655685       28.96989 
1 1 1 5  8  16  o 141.4154 13.43597 1.413478       0.2592119     1.508842       0.4487725     1.365733       0.3175378     142.9408 23.55777 138.0257 17.02149 4.915161       29.06372 
1 1 1 5  8  17  o 97.71227 17.48128 0.6947048      0.2272042     0.4093972      0.3196954     0.9858688      0.3229600     76.59253 25.66440 115.8033 20.96915 -39.21081      33.14162 
1 1 1 5  8  18  o 187.4294 16.31730 2.495676       0.4180895     2.556767       0.5968708     2.436826       0.5858199     186.9308 23.65321 182.3545 23.83574 4.576233       33.58000 
1 1 1 5  8  19  o 97.89662 13.91563 0.6848018      0.1828136     0.6433644      0.2245631     0.7662276      0.3147917     93.84136 17.98492 101.3109 23.02484 -7.469582      29.21645 
1 1 1 5  8  20  f 219.0536 13.23729 3.371288       0.3985130     3.567545       0.4903656     2.989542       0.6839048     224.5093 15.92111 201.7364 25.09349 22.77292       29.71809 
1 1 1 5  8  21  f 145.8791 13.39496 1.502206       0.2668051     1.600945       0.3278715     1.308654       0.4590459     149.9326 16.08835 132.1318 26.08589 17.80078       30.64814 
1 1 1 5  8  22  f 117.8419 11.77733 0.9785907      0.1890727     0.8583623      0.2658308     1.101680       0.2689753     108.6820 18.36832 124.0892 16.07570 -15.40715      24.40949 
1 1 1 5  8  23  o 77.43426 12.56911 0.4294496      0.1297846     0.3603652      0.1822433     0.5005410      0.1848713     70.05819 18.54737 82.82499 16.74057 -12.76680      24.98503 
1 1 1 5  8  24  o 89.74104 12.25591 0.5725467      0.1479004     0.5529640      0.2083334     0.5924442      0.2100021     86.89603 17.95665 90.11415 17.50780 -3.218117      25.07916 
1 1 1 5  8  25  o 227.4013 11.50637 3.615857       0.3601255     3.737655       0.5090925     3.493865       0.5094966     229.8262 16.14446 221.9622 16.74689 7.863998       23.26160 
1 1 1 5  8  26  o 215.4725 11.52277 3.247374       0.3415940     3.241629       0.4817863     3.253181       0.4843980     213.8655 16.44047 214.2271 16.50239 -0.3615723     23.29416 
1 1 1 5  8  27  o 154.0150 11.63708 1.663954       0.2456562     1.717288       0.3473592     1.610589       0.3474614     155.2823 16.45067 150.1547 17.06120 5.127609       23.70040 
1 1 1 5  8  28  o 200.7194 11.55098 2.819112       0.3187936     2.760471       0.4499498     2.878220       0.4517398     197.1982 16.68073 201.4838 16.37894 -4.285568      23.37769 
1 1 1 5  8  29  o 112.5208 11.96978 0.8933887      0.1831204     0.8584076      0.2586672     0.9285349      0.2592767     108.8682 17.82386 113.5304 17.06725 -4.662155      24.67753 
1 1 1 5  8  30  o 302.7587 11.57443 6.393755       0.4838762     6.430616       0.6846692     6.356974       0.6839400     301.6245 16.50159 299.8528 16.58298 1.771698       23.39439 
1 1 1 5  8  31  o 164.9880 11.60622 1.907961       0.2627279     1.889737       0.3710631     1.926283       0.3720457     162.8915 16.73515 164.5121 16.60520 -1.620590      23.57537 
1 1 1 5  8  32  o 149.0783 11.72755 1.559986       0.2394634     1.551595       0.3373479     1.568508       0.3399721     147.3992 16.87894 148.1982 16.91668 -0.7989807     23.89713 
1 1 1 5  8  33  o 118.5470 11.95646 0.9906211      0.1930450     0.9714842      0.2722446     1.009974       0.2737757     116.0395 17.53799 118.4399 17.24647 -2.400406      24.59720 
1 1 1 5  8  34  o 118.1861 12.03532 0.9850432      0.1936685     1.045520       0.2748215     0.9253809      0.2729652     120.6048 16.97195 113.0279 18.10058 7.576981       24.81286 
1 1 1 5  8  35  f 118.9455 12.04673 0.9977689      0.1951299     0.9122798      0.2751729     1.084237       0.2767446     112.1044 18.41613 122.9061 16.74242 -10.80166      24.88900 
1 1 1 5  8  36  o 342.1511 11.70811 8.171292       0.5531498     8.237637       0.7826537     8.105076       0.7818906     341.6713 16.58912 338.8573 16.71057 2.813995       23.54659 
1 1 1 5  8  37  o 205.7455 11.66845 2.964235       0.3301337     2.760337       0.4644515     3.172453       0.4693462     196.8738 17.25920 211.5280 16.19191 -14.65425      23.66554 
1 1 1 5  8  38  o 190.6749 11.66819 2.547737       0.3057317     2.410496       0.4310038     2.686731       0.4337492     183.8664 17.17510 194.4908 16.30144 -10.62437      23.67955 
1 1 1 5  8  39  f 149.4938 11.84778 1.570900       0.2425642     1.595096       0.3423977     1.546522       0.3436812     149.2998 16.90662 146.8706 17.27688 2.429199       24.17280 
1 1 1 5  8  40  o 172.8701 11.76609 2.097802       0.2791891     2.189162       0.3949433     2.006544       0.3947228     175.2439 16.51608 167.4472 17.32213 7.796722       23.93402 
1 1 1 5  8  41  o 50.76180 14.15583 0.1864022      0.1029603     0.2561145      0.1483162     0.1215592      0.1430427     59.42700 17.13314 46.18246 17.02062 13.24453       24.15048 
1 1 1 5  8  42  f 219.5146 11.68388 3.378230       0.3528761     3.299138       0.4988180     3.457465       0.4992666     215.1387 16.92809 220.4298 16.52326 -5.291046      23.65540 
1 1 1 5  8  43  o 263.8160 11.69611 4.868020       0.4260698     4.829302       0.6029416     4.906639       0.6021664     260.4643 16.85478 262.6239 16.69187 -2.159668      23.72135 
1 1 1 5  8  44  f 137.5117 12.12366 1.334137       0.2278476     1.301808       0.3234764     1.365970       0.3209882     134.1531 17.90964 137.6827 17.26340 -3.529587      24.87529 
1 1 1 5  8  45  o 211.6513 11.77358 3.145544       0.3427255     3.124578       0.4857905     3.166320       0.4835909     209.0741 16.97369 210.5584 16.77197 -1.484314      23.86221 
1 1 1 5  8  46  o 339.3187 11.84144 8.066237       0.5548177     8.112128       0.7857724     8.020613       0.7834941     337.7823 16.84697 335.4135 16.97198 2.368835       23.91378 
1 1 1 5  8  47  o 139.6456 12.21654 1.378110       0.2331964     1.539525       0.3310244     1.219082       0.3285684     146.2682 16.68851 129.1633 18.98935 17.10495       25.28046 
1 1 1 5  8  48  o 209.3304 11.89861 3.083021       0.3425072     3.212058       0.4856002     2.955275       0.4831655     211.7751 16.74256 202.7805 17.42493 8.994690       24.16488 
1 1 1 5  8  49  o 60.20750 14.76553 0.2665342      0.1218186     0.3648753      0.1744435     0.1729301      0.1701903     70.08367 17.94766 52.35501 18.66444 17.72866       25.89363 
1 1 1 5  8  50  o 159.7086 12.11563 1.801458       0.2651944     1.857450       0.3758278     1.745931       0.3742601     160.3895 17.24039 155.2367 17.78053 5.152863       24.76647 
1 1 1 5  8  51  o 182.0303 11.99682 2.337080       0.2998515     2.217480       0.4238974     2.456858       0.4242110     175.0992 17.77887 184.8229 16.80583 -9.723770      24.46475 
1 1 1 5  8  52  o 141.4695 14.53941 1.431384       0.2799779     1.811444       0.5013057     1.259096       0.3375236     155.0305 24.20922 130.8896 19.25001 24.14091       30.92975 
1 1 1 5  8  53  o 87.95470 21.24177 0.5851411      0.2550729     0.3852817      0.3550602     0.7982903      0.3666753     75.20111 26.94274 101.4298 26.04557 -26.22871      37.47376 
1 1 1 5  8  54  o 68.29202 20.35454 0.3449034      0.2063696     0.3449034      0.2063696     0.000000       0.000000      68.29202 20.35454 ?        ?        0.000000       20.35454 
1 1 1 5  8  55  o 266.5013 13.52695 5.029922       0.4961475     4.903381       0.6076384     5.283044       0.8593973     261.2713 16.93403 266.4923 23.59857 -5.221039      29.04572 
1 1 1 5  8  56  o 49.36067 13.37418 0.1778264      0.9342248E-01 0.1259335      0.1399741     0.2195115      0.1254540     46.07708 16.85886 54.83341 15.74251 -8.756332      23.06617 
1 1 1 5  8  57  o 97.45587 11.34615 0.6752586      0.1498263     0.6783855      0.2293666     0.6729314      0.1978766     95.72306 18.01412 96.15147 15.42544 -0.4284058     23.71609 
1 1 1 5  8  58  o 148.9538 9.913866 1.558352       0.2027426     1.704325       0.2868634     1.412668       0.2865794     154.6919 13.56683 140.2290 15.03475 14.46288       20.25099 
1 1 1 5  8  59  o 154.5167 10.97214 1.683035       0.2325798     1.770222       0.3734242     1.627779       0.2972809     156.0292 17.64234 150.8132 14.45244 5.215958       22.80625 
1 1 1 5  8  60  o 58.44043 13.45072 0.2508710      0.1062910     0.9025071E-01  0.1809295     0.3355186      0.1313460     46.74640 18.63453 67.52782 14.51797 -20.78142      23.62238 
1 1 1 5  8  61  o 102.8335 10.58439 0.7487838      0.1481463     0.6125019      0.2092269     0.8858068      0.2097951     90.98751 17.28521 110.9784 14.00214 -19.99086      22.24497 
1 1 1 5  8  62  o 67.13267 12.46922 0.3274517      0.1113325     0.2843303      0.1569833     0.3710874      0.1579166     61.98153 17.54848 70.64700 16.48865 -8.665470      24.07955 
1 1 1 5  8  63  o 133.9014 10.26315 1.263209       0.1883153     1.203067       0.2659564     1.323679       0.2666811     129.1227 15.20823 135.7907 14.44454 -6.668030      20.97462 
1 1 1 5  8  64  o 179.2524 9.922495 2.255943       0.2446410     2.246988       0.3459387     2.264901       0.3460106     177.3465 14.24687 178.0797 14.18914 -0.7332153     20.10734 
1 1 1 5  8  65  o 160.7427 10.10141 1.816792       0.2230678     1.905240       0.3163260     1.729300       0.3146118     163.2229 14.17589 155.1824 14.86417 8.040497       20.54019 
1 1 1 5  8  66  o 168.7612 10.03934 2.001880       0.2328903     2.158029       0.3314482     1.849613       0.3273041     173.8507 13.92391 160.4635 14.94376 13.38719       20.42526 
1 1 1 5  8  67  o 157.3599 10.21223 1.743116       0.2206983     1.589015       0.3129343     1.895613       0.3113010     148.3544 15.50528 162.7956 13.98416 -14.44118      20.87991 
1 1 1 5  8  68  o 86.07372 11.21163 0.5295812      0.1300900     0.5412743      0.1862320     0.5184383      0.1817983     85.52063 16.36672 83.66573 16.32244 1.854897       23.11475 
1 1 1 5  8  69  o 72.91272 12.53444 0.3860328      0.1216472     0.4504777      0.1709211     0.3198798      0.1731713     77.78268 16.42889 65.34845 18.40640 12.43423       24.67193 
1 1 1 5  8  70  o 77.57502 13.25674 0.4385112      0.1369020     0.4236410      0.1915717     0.4540311      0.1957121     74.79411 18.62132 77.45546 18.54485 -2.661354      26.28051 
1 1 1 5  8  71  o 211.3637 10.04444 3.139031       0.2931527     3.297447       0.4141823     2.980005       0.4149798     214.4360 14.06595 203.3589 14.88170 11.07707       20.47721 
1 1 1 5  8  72  o 79.13266 12.74014 0.4555709      0.1344839     0.5794855      0.1884889     0.3270826      0.1919359     88.32130 16.04654 65.81378 19.63300 22.50752       25.35638 
1 1 1 5  8  73  o 121.1224 10.76036 1.044233       0.1780913     1.079179       0.2500190     1.008239       0.2537404     121.3743 15.25493 116.8628 16.15660 4.511429       22.22045 
1 1 1 5  8  74  o 65.47001 13.97381 0.3194079      0.1224806     0.3289655      0.1714090     0.3094369      0.1750765     65.56649 18.25798 63.71169 18.68615 1.854805       26.12520 
1 1 1 5  8  75  o 36.80047 14.08269 0.7132871E-01  0.9994862E-01 0.5018780E-01  0.1133959     0.1449427      0.2116000     36.36610 14.66302 51.75302 20.30258 -15.38692      25.04394 
1 1 1 5  8  76  o 60.37247 16.62519 0.2789995      0.1429952     0.3156182      0.1697731     0.1895977      0.2652715     63.86164 18.30711 57.35432 22.65786 6.507313       29.12952 
1 1 1 5  8  77  o 106.6920 13.39726 0.8377047      0.1930198     0.8495282      0.2374318     0.8146623      0.3314578     105.6533 16.84024 98.64320 24.45602 7.010086       29.69327 
1 1 1 5  8  78  o 55.63691 10.51482 0.2278174      0.7781982E-01 0.1913946      0.1197357     0.2544545      0.1023953     50.45189 15.60148 58.09282 13.07996 -7.640926      20.35906 
1 1 1 5  8  79  o 77.70289 16.51919 0.4700115      0.1717828     0.5687845      0.2550996     0.3880602      0.2323640     82.53915 21.98780 68.76035 21.80451 13.77881       30.96611 
1 1 1 5  8  80  o 47.35863 15.67203 0.1659899      0.1193005     0.4974613E-01  0.1578101     0.3210258      0.1822494     40.31794 16.88252 63.14328 19.19814 -22.82533      25.56537 
1 1 1 5  8  81  o 36.54773 14.14918 0.7252102E-01  0.1017259     0.1355723      0.1417621     0.5590049E-02  0.1460584     45.35934 16.89965 36.26798 15.73650 9.091358       23.09189 
1 1 1 5  8  82  o 40.29014 14.42858 0.1098383      0.1018169     0.1481930      0.1382551     0.6438561E-01  0.1505054     46.17045 16.77596 40.39341 16.66344 5.777039       23.64536 
1 1 1 5  8  83  o 46.88770 15.66720 0.1645621      0.1191365     0.1534507      0.1722463     0.1747531      0.1649587     48.26526 18.48315 49.58086 18.27732 -1.315598      25.99398 
1 1 1 5  8  84  o 83.54282 18.37163 0.5691606      0.2061646     0.6796100      0.3957807     0.5280305      0.2415196     82.85770 28.54404 78.16384 21.63955 4.693855       35.81944 
1 1 1 5  8  85  o 66.72924 18.64539 0.3683489      0.1784407     0.5043562E-01  0.3516792     0.4785734      0.2070767     52.90628 23.62094 75.49516 19.66752 -22.58887      30.73695 
1 1 1 5  8  86  o 81.99890 16.40372 0.5344206      0.1792464     0.6702113      0.2587650     0.4091595      0.2485300     88.19043 21.45441 68.39619 22.61938 19.79424       31.17576 
1 1 1 5  8  87  o 186.9839 12.83197 2.606759       0.3293059     2.864383       0.4679942     2.354106       0.4634568     189.3410 18.12154 168.7570 20.29586 20.58398       27.20868 
1 1 1 5  8  88  o 23.02937 10.62537 -0.5384853E-01 0.7872757E-01 -0.2221562     0.1311071     0.4106293E-01  0.9845404E-01 24.24461 11.84708 33.10834 13.54640 -8.863726      17.99607 
1 1 1 5  8  89  o 119.8981 14.46938 1.098277       0.2347096     1.373357       0.3353896     0.8342633      0.3285744     129.6954 19.31732 95.64024 24.70568 34.05515       31.36127 
1 1 1 5  8  90  o 122.3472 14.60252 1.146323       0.2418204     1.331549       0.3439545     0.9652780      0.3400502     126.5089 20.38232 103.6182 24.20407 22.89066       31.64294 
1 1 1 5  8  91  o 123.2882 13.30958 1.147499       0.2229868     1.137050       0.2945704     1.161523       0.3412576     118.1381 18.67867 116.0209 22.10859 2.117157       28.94275 
1 1 1 5  8  92  o 152.8764 13.75283 1.776258       0.2872086     1.850885       0.4080681     1.703000       0.4043067     148.3829 20.46064 141.1340 21.41908 7.248840       29.62119 
1 1 1 5  8  93  o 82.22334 17.17735 0.5538043      0.1887366     0.3316268      0.2674057     0.7743547      0.2664248     61.72445 23.16828 94.12077 21.02971 -32.39632      31.28926 
1 1 1 5  8  94  o 113.1663 14.88751 1.009805       0.2269900     1.014867       0.3219586     1.004802       0.3200743     105.1344 22.83167 104.6324 22.79823 0.5020294      32.26522 
1 1 1 5  8  95  o 50.98928 17.49713 0.2162331      0.1486456     0.2576019      0.2128509     0.1768508      0.2076778     54.74902 20.64607 49.32501 19.85922 5.424011       28.64697 
1 1 1 5  8  96  o 56.32301 15.39879 0.2674749      0.1231939     0.3033684      0.1635927     0.2204564      0.1872362     58.14503 18.27851 50.90574 19.32369 7.239296       26.59904 
1 1 1 5  8  97  o 82.53426 13.81579 0.5550686      0.1518868     0.7719485      0.2036230     0.2830412      0.2280466     95.16953 16.06707 54.18322 21.12667 40.98631       26.54217 
1 1 1 5  8  98  o 159.7458 12.57597 2.045588       0.2751583     2.325623       0.4277141     1.847858       0.3594047     153.9891 20.63418 140.2164 19.05665 13.77269       28.08781 
1 1 1 5  8  99  o 30.38221 13.76376 -0.7686917E-02 0.1243743     -0.3267217     0.2608515     0.8618251E-01  0.1414935     31.90955 15.80561 37.29620 15.82042 -5.386650      22.36299 
1 1 1 5  8  100 o 71.39981 20.62918 0.5957162      0.2148128     0.3977126      0.3990628     0.6764966      0.2548928     49.42129 23.17434 71.43919 22.85656 -22.01791      32.54954 
1 1 1 5  8  101 o 38.49132 16.39501 0.1446492      0.1530671     0.1420602      0.2974772     0.1455815      0.1785122     39.86755 19.07300 38.75930 17.09184 1.108250       25.61075 
1 1 1 5  8  102 o 48.49875 18.90588 0.3611788      0.1825906     0.2568156      0.3404722     0.4033115      0.2163304     38.87386 19.01583 47.79508 19.86861 -8.921219      27.50206 
1 1 1 5  8  103 o 35.61582 16.49338 0.2076187      0.1923009     -0.2303972E-01 0.2989921     0.3703469      0.2511345     30.89022 15.53989 39.08079 18.34421 -8.190575      24.04159 
1 1 1 5  8  104 o 38.19635 17.98726 0.5066804      0.2448812     0.6748376      0.3640340     0.3676962      0.3309535     35.05311 17.56601 32.12075 16.18294 2.932362       23.88415 
1 1 1 5  8  105 o ?        ?        -0.3037116     0.5772281E-01 -0.2024871     0.1930821     -0.3136463     0.6048915E-01 21.56522 11.01278 ?        ?        0.000000       11.01278 
1 1 1 5  8  106 o ?        ?        -0.2798373     0.5926099E-01 0.000000       0.000000      -0.2798373     0.5926099E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  0   o 382.4246 16.79645 10.26353       0.8830608     10.10687       1.238793      10.42538       1.259128      376.2694 24.06889 382.2157 24.07640 -0.000000      0.000000 
1 1 1 5  9  1   o 257.1360 11.58872 4.611852       0.4114681     4.646383       0.5792626     4.576685       0.5845816     256.2819 16.45589 254.2366 16.74586 2.045334       23.47808 
1 1 1 5  9  2   o 220.7305 13.33765 3.421530       0.4046084     3.712018       0.4968324     2.849504       0.6971950     229.1807 15.79625 196.5378 26.35419 32.64296       30.72563 
1 1 1 5  9  3   o 115.4843 17.26564 0.9609504      0.2668728     0.9355620      0.3754675     0.9868724      0.3793933     111.7461 24.96298 114.9151 24.64869 -3.169044      35.08145 
1 1 1 5  9  4   o 187.9599 16.45394 2.507507       0.4227434     2.349258       0.5952785     2.668519       0.6004542     178.8563 24.76815 191.4746 23.18312 -12.61829      33.92518 
1 1 1 5  9  5   o 281.8481 16.38660 5.615228       0.6349849     5.204427       0.8869219     6.047224       0.9095128     267.6257 24.26427 289.3611 22.95141 -21.73538      33.39943 
1 1 1 5  9  6   o 266.0932 16.39101 5.007014       0.5993203     4.725026       0.8413048     5.297557       0.8539709     254.9497 24.18747 270.6618 23.06978 -15.71207      33.42527 
1 1 1 5  9  7   o 203.0613 13.43531 2.898382       0.3745861     2.714898       0.4589415     3.264540       0.6483249     195.3924 17.18506 212.3304 22.45337 -16.93799      28.27508 
1 1 1 5  9  8   o 178.7333 13.43205 2.248219       0.3290775     2.549173       0.4057400     1.669677       0.5625544     189.7722 15.62257 148.8687 28.40312 40.90352       32.41607 
1 1 1 5  9  9   o 272.1656 13.33385 5.184212       0.5011027     5.087308       0.6129413     5.379510       0.8701589     268.1227 16.63784 272.6013 23.34219 -4.478668      28.66488 
1 1 1 5  9  10  o 242.3632 13.33842 4.122958       0.4446663     4.194685       0.5453401     3.980659       0.7681117     243.4904 16.31422 233.8551 24.13395 9.635315       29.13076 
1 1 1 5  9  11  o 171.3196 13.35419 2.066085       0.3134142     1.984577       0.3822808     2.233197       0.5473781     166.9486 16.81168 174.9179 23.23803 -7.969330      28.68168 
1 1 1 5  9  12  o 146.7444 13.48586 1.519709       0.2702037     1.553481       0.3301592     1.451209       0.4702115     147.6070 16.47995 139.7059 25.30655 7.901108       30.19950 
1 1 1 5  9  13  o 133.8553 13.50893 1.266671       0.2462707     1.230050       0.2996901     1.342824       0.4321705     131.0089 16.96504 134.6729 24.12614 -3.663971      29.49378 
1 1 1 5  9  14  o 166.5597 11.63279 1.944632       0.2658618     2.123796       0.3733152     1.760248       0.3787136     173.0390 15.79828 156.8197 17.80490 16.21925       23.80336 
1 1 1 5  9  15  o 294.5801 11.60106 6.054246       0.4718883     5.903436       0.6615055     6.210505       0.6733540     288.8492 16.65598 296.3460 16.52104 -7.496887      23.45989 
1 1 1 5  9  16  o 225.6899 11.57478 3.562684       0.3595005     3.649317       0.5071620     3.475192       0.5096682     227.0065 16.28797 221.3195 16.80289 5.686981       23.40161 
1 1 1 5  9  17  o 486.5032 12.06334 16.52857       0.8103846     16.39909       1.142632      16.65962       1.149513      481.7944 17.17539 485.6276 17.14244 -3.833130      24.26638 
1 1 1 5  9  18  o 170.0624 11.60328 2.027097       0.2708483     1.952629       0.3819144     2.102447       0.3841702     165.4954 16.95174 171.9598 16.37713 -6.464417      23.57057 
1 1 1 5  9  19  o 298.0083 11.55095 6.196767       0.4753176     6.379593       0.6740414     6.015924       0.6703749     300.3899 16.31152 291.5027 16.72468 8.887238       23.36195 
1 1 1 5  9  20  o 241.4021 11.49632 4.066273       0.3832111     3.839987       0.5403495     4.295247       0.5435494     232.5847 16.94148 246.3819 16.06479 -13.79721      23.34719 
1 1 1 5  9  21  o 256.0719 11.49662 4.575969       0.4065088     4.561101       0.5756544     4.590758       0.5741292     253.7206 16.52126 254.5874 16.41937 -0.8668365     23.29265 
1 1 1 5  9  22  o 234.2074 11.52475 3.828550       0.3727094     4.213969       0.5309598     3.454164       0.5233049     244.0627 15.84079 220.3320 17.34057 23.73065       23.48672 
1 1 1 5  9  23  o 247.2062 11.49952 4.265814       0.3925336     4.436450       0.5562185     4.096512       0.5540406     250.2788 16.18133 240.2194 16.80898 10.05948       23.33189 
1 1 1 5  9  24  o 99.85686 12.24911 0.7072150      0.1653549     0.6449558      0.2333366     0.7700220      0.2343610     93.73309 18.68389 103.0761 17.06297 -9.343010      25.30282 
1 1 1 5  9  25  o 245.3969 11.53033 4.205591       0.3907049     4.196883       0.5516578     4.214355       0.5534269     243.1654 16.52782 243.6656 16.54663 -0.5001984     23.38717 
1 1 1 5  9  26  o 225.7589 11.60042 3.569754       0.3604017     3.415779       0.5072059     3.726778       0.5122007     219.0755 16.89741 229.1191 16.29603 -10.04353      23.47516 
1 1 1 5  9  27  o 193.7625 11.62476 2.632521       0.3095848     2.550665       0.4362102     2.715595       0.4394457     189.1144 16.88198 195.3300 16.44592 -6.215546      23.56841 
1 1 1 5  9  28  f 345.1687 11.74808 8.329041       0.5599331     8.474974       0.7922104     8.183359       0.7915199     346.0566 16.57889 339.9068 16.86413 6.149811       23.64865 
1 1 1 5  9  29  o 395.5328 11.87809 10.94269       0.6487349     11.44197       0.9223608     10.45390       0.9126163     401.9763 16.61738 383.8759 17.21707 18.10031       23.92833 
1 1 1 5  9  30  o 148.2987 11.81522 1.547819       0.2399378     1.584945       0.3387298     1.510432       0.3399200     148.6714 16.79458 144.9202 17.33052 3.751190       24.13306 
1 1 1 5  9  31  o 248.8135 11.59938 4.329675       0.3985167     4.114266       0.5614407     4.548410       0.5657596     240.2213 17.03650 252.9722 16.28300 -12.75085      23.56647 
1 1 1 5  9  32  o 187.5693 11.67354 2.470589       0.3008456     2.449881       0.4250867     2.491370       0.4258341     185.1255 16.81261 186.7444 16.68997 -1.618820      23.69006 
1 1 1 5  9  33  o 114.4183 12.20143 0.9273171      0.1897985     0.9116434      0.2674932     0.9432089      0.2693477     111.8497 17.92505 113.8800 17.70386 -2.030281      25.19392 
1 1 1 5  9  34  f 101.1164 12.44750 0.7274539      0.1701271     0.7658758      0.2402764     0.6888268      0.2409170     102.3729 17.63405 96.64877 18.72864 5.724106       25.72395 
1 1 1 5  9  35  f 166.0925 11.82898 1.942207       0.2695183     2.050949       0.3821108     1.834545       0.3802091     169.1685 16.57084 159.5564 17.54712 9.612091       24.13492 
1 1 1 5  9  36  f 178.0624 11.80824 2.231636       0.2886851     2.302778       0.4075707     2.160009       0.4089575     179.2329 16.65887 173.2838 17.32372 5.949112       24.03392 
1 1 1 5  9  37  o 229.4031 11.71936 3.698481       0.3699896     3.972960       0.5256259     3.428921       0.5208948     235.9121 16.23455 218.5504 17.40505 17.36168       23.80119 
1 1 1 5  9  38  o 134.0562 12.12078 1.271397       0.2219384     1.151708       0.3124864     1.393226       0.3152687     125.4983 18.59516 138.9220 16.77465 -13.42371      25.04334 
1 1 1 5  9  39  o 69.83948 13.77333 0.3555704      0.1281048     0.2465310      0.1799155     0.4676988      0.1824461     59.16836 19.22986 79.52572 17.12114 -20.35736      25.74725 
1 1 1 5  9  40  o 122.9541 12.27605 1.072378       0.2056341     1.249147       0.2913096     0.8968139      0.2903141     131.5076 16.39861 109.9535 19.85198 21.55408       25.74908 
1 1 1 5  9  41  o 87.68992 13.30977 0.5536713      0.1560975     0.5262653      0.2198231     0.5815471      0.2216991     83.85787 19.37390 88.38831 18.74598 -4.530441      26.95848 
1 1 1 5  9  42  o 207.0867 13.81821 3.042571       0.3928630     3.150504       0.4791488     2.821172       0.6862474     209.4657 16.70498 192.7021 26.49091 16.76360       31.31812 
1 1 1 5  9  43  o 56.89499 19.34000 0.2202888      0.1815718     0.4435294      0.2609087     0.1063604E-01  0.2528438     76.90243 22.87890 48.88791 20.95344 28.01451       31.02403 
1 1 1 5  9  44  o 167.8199 17.98620 2.043184       0.4102990     2.185125       0.5852251     1.905969       0.5754005     169.5261 25.81568 157.1727 27.51524 12.35335       37.72980 
1 1 1 5  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  46  o 103.2691 18.06557 0.7863681      0.2482260     0.7489362      0.3522700     0.8232836      0.3498319     98.29791 25.67343 103.3216 24.82914 -5.023674      35.71570 
1 1 1 5  9  47  o 205.5623 16.71389 3.039921       0.4703076     3.005851       0.6670375     3.073601       0.6632098     199.8017 24.70392 202.3840 24.21286 -2.582275      34.59113 
1 1 1 5  9  48  o 70.05923 14.76721 0.3607735      0.1383539     0.4820682      0.1988355     0.2469249      0.1926357     80.33160 18.33016 59.55396 19.92209 20.77764       27.07184 
1 1 1 5  9  49  o 192.0005 12.01757 2.602961       0.3170038     2.773717       0.4515794     2.437060       0.4451128     196.1763 16.83360 183.3445 17.80642 12.83183       24.50385 
1 1 1 5  9  50  o 50.97823 15.36302 0.1871615      0.1170862     0.3247735      0.1687266     0.5934187E-01  0.1626125     66.07102 18.00350 42.91522 17.46698 23.15580       25.08428 
1 1 1 5  9  51  o 133.5849 12.70259 1.269332       0.2314878     1.252656       0.3297610     1.285533       0.3250364     130.4678 18.85120 132.4446 18.25837 -1.976761      26.24377 
1 1 1 5  9  52  o 170.6354 12.32478 2.061723       0.2884395     2.126979       0.4119943     1.998989       0.4039546     171.1197 17.69169 165.7291 17.93835 5.390610       25.19485 
1 1 1 5  9  53  o 215.3380 12.17953 3.276444       0.3606662     3.382661       0.5128282     3.172491       0.5073344     216.3306 17.31291 209.2400 17.72609 7.090637       24.77803 
1 1 1 5  9  54  o 68.90014 15.34177 0.3509149      0.1422113     0.2461519      0.2013529     0.4551886      0.2008821     59.74976 20.36598 77.81947 18.88583 -18.06972      27.77495 
1 1 1 5  9  55  o 133.8564 12.79020 1.275976       0.2335265     1.401882       0.3328399     1.153905       0.3277321     138.4737 17.82082 124.6756 19.69080 13.79805       26.55766 
1 1 1 5  9  56  o 177.6862 12.38354 2.236947       0.3019347     2.281697       0.4290292     2.193033       0.4249997     177.1190 17.78226 173.5040 18.00149 3.615067       25.30341 
1 1 1 5  9  57  o 71.40677 15.67649 0.3775341      0.1503343     0.3257559      0.2136971     0.4282670      0.2115290     66.59280 20.88393 75.29763 20.00488 -8.704826      28.91943 
1 1 1 5  9  58  f 78.45164 15.41024 0.4533084      0.1609799     0.3709297      0.2289600     0.5338424      0.2263820     70.51813 21.53553 84.02083 19.83155 -13.50270      29.27575 
1 1 1 5  9  59  o 105.6834 13.91345 0.8052774      0.1981035     0.8418815      0.2812191     0.7692192      0.2791141     105.9074 19.96223 100.8339 20.73874 5.073494       28.78517 
1 1 1 5  9  60  o 93.68803 12.44227 0.6300529      0.1569801     0.5615439      0.2593016     0.6696882      0.1972300     85.58178 21.86302 95.71055 15.44984 -10.12877      26.77105 
1 1 1 5  9  61  o 166.1842 10.04461 1.943074       0.2294116     2.155034       0.3256298     1.734193       0.3232572     173.6922 13.68799 155.0462 15.29848 18.64592       20.52814 
1 1 1 5  9  62  f 19.81426 8.618071 -0.7297325E-02 0.4401655E-01 -0.5456263E-01 0.6363621E-01 0.3605957E-01  0.6094837E-01 20.36579 9.451216 28.21134 10.94361 -7.845554      14.45988 
1 1 1 5  9  63  o 70.93687 11.93082 0.3646019      0.1127158     0.2887762      0.1603425     0.4386782      0.1584821     62.20547 17.77832 76.95449 15.45126 -14.74902      23.55441 
1 1 1 5  9  64  o 45.72383 13.94374 0.1503588      0.9603544E-01 0.1341536      0.1361623     0.1663996      0.1354696     46.25484 16.67267 49.29717 16.70551 -3.042328      23.60195 
1 1 1 5  9  65  o 87.05261 11.20008 0.5433992      0.1315071     0.5353621      0.1852946     0.5515561      0.1866713     84.70953 16.43427 86.05678 16.30610 -1.347252      23.15111 
1 1 1 5  9  66  f 51.62924 13.09400 0.1974459      0.9348665E-01 0.2873104      0.1323217     0.1078839      0.1320988     61.87784 15.51522 43.41970 16.28656 18.45814       22.49387 
1 1 1 5  9  67  o 52.53493 11.59591 0.2033029      0.8186661E-01 0.2441317      0.1152811     0.1617642      0.1162791     57.10131 14.57238 47.65123 15.45795 9.450081       21.24388 
1 1 1 5  9  68  o 125.7303 10.46602 1.126306       0.1800512     1.267630       0.2544411     0.9845589      0.2548212     131.7870 14.20685 114.8705 16.54235 16.91644       21.80559 
1 1 1 5  9  69  o 82.35495 13.63993 0.5011808      0.1496813     0.5246352      0.1840722     0.4553993      0.2571705     83.09341 16.62343 75.44321 22.77582 7.650208       28.19710 
1 1 1 5  9  70  o 43.95834 14.80967 0.1352421      0.1064604     0.1892176      0.1262986     0.2757722E-02  0.1978710     50.63292 16.07742 42.09909 18.29143 8.533825       24.35282 
1 1 1 5  9  71  o 89.48990 11.67696 0.5838115      0.1408527     0.5849559      0.1989123     0.5826604      0.1994806     87.09329 17.15048 86.87601 17.23734 0.2172852      24.31593 
1 1 1 5  9  72  o 57.11431 13.59477 0.2474406      0.1056680     0.2572004      0.1657087     0.2407524      0.1371766     57.76269 18.42367 55.92646 16.57824 1.836235       24.78447 
1 1 1 5  9  73  o 40.81791 12.22677 0.1230227      0.7432663E-01 0.1316163      0.1151209     0.1168797      0.9733175E-01 43.68053 15.37415 41.05008 14.15440 2.630451       20.89764 
1 1 1 5  9  74  o 76.48839 14.86770 0.4489209      0.1513718     0.4202115      0.1847067     0.5076393      0.2641543     72.22571 18.45288 77.00474 23.04614 -4.779030      29.52344 
1 1 1 5  9  75  o 74.98354 13.39177 0.4254568      0.1335695     0.3511332      0.1762124     0.5258349      0.2047822     65.81416 18.57776 80.53691 18.76286 -14.72276      26.40413 
1 1 1 5  9  76  o 96.77460 12.35152 0.6958593      0.1612874     0.7902776      0.2439929     0.6225826      0.2149476     99.21100 18.49093 87.92696 18.29942 11.28403       26.01506 
1 1 1 5  9  77  o 49.34407 15.78378 0.1866493      0.1215560     0.2755966      0.1731120     0.1001378      0.1707252     58.52225 18.84816 44.39153 17.95912 14.13072       26.03427 
1 1 1 5  9  78  o 76.56454 13.69589 0.4479904      0.1394802     0.3482787      0.1897876     0.5650994      0.2056790     64.75405 19.56960 83.28556 18.37739 -18.53151      26.84581 
1 1 1 5  9  79  o 33.14059 13.86619 0.2974194E-01  0.1063388     -0.1246586     0.2122156     0.8150835E-01  0.1228788     36.89897 17.16925 39.07677 15.42616 -2.177799      23.08137 
1 1 1 5  9  80  o 58.21876 17.47168 0.2739076      0.1516671     0.2623392      0.2511693     0.2805464      0.1902731     58.39446 22.32961 58.69081 19.79872 -0.2963448     29.84293 
1 1 1 5  9  81  o 97.70296 12.73161 0.7170829      0.1676817     0.6323725      0.2238663     0.8253521      0.2530890     87.46470 19.07349 100.3725 18.95560 -12.90781      26.89076 
1 1 1 5  9  82  o 88.15658 13.62374 0.5920752      0.1604929     0.6006119      0.2147694     0.5812795      0.2415210     85.44263 18.72104 82.20120 21.15468 3.241425       28.24886 
1 1 1 5  9  83  f 53.28034 16.48546 0.2244083      0.1336671     0.3079826      0.1794039     0.1201256      0.2004019     61.11237 19.13010 47.41924 19.35561 13.69313       27.21397 
1 1 1 5  9  84  o 96.65472 13.36308 0.7071232      0.1735771     0.7189595      0.2293416     0.6912513      0.2655754     94.05816 18.31703 89.44359 21.71996 4.614571       28.41250 
1 1 1 5  9  85  o 122.8498 12.47880 1.126085       0.2087442     1.099798       0.2752142     1.161692       0.3203085     117.3839 17.51552 118.0025 20.39579 -0.6185989     26.88460 
1 1 1 5  9  86  o 82.08751 16.09462 0.5352274      0.1759095     0.2482639      0.2485479     0.8232354      0.2489998     57.13178 22.11710 100.1865 18.68653 -43.05475      28.95432 
1 1 1 5  9  87  o 102.1676 14.63883 0.8089876      0.2006158     0.8983032      0.2847100     0.7209116      0.2827275     102.3746 20.84891 89.53148 22.80608 12.84314       30.89975 
1 1 1 5  9  88  o 83.89543 15.63113 0.5615558      0.1744159     0.5683651      0.2479134     0.5548823      0.2454280     79.32634 21.90937 78.40140 21.85273 0.9249420      30.94451 
1 1 1 5  9  89  o 80.70062 14.64863 0.5170278      0.1572226     0.4587426      0.2393603     0.5612572      0.2085109     70.20579 22.11623 80.66299 19.02846 -10.45721      29.17550 
1 1 1 5  9  90  o 56.67769 16.93005 0.2731672      0.1426548     0.3421683      0.2031153     0.2059981      0.2004008     61.18790 20.45687 50.97456 19.82440 10.21334       28.48667 
1 1 1 5  9  91  o 70.99643 17.07052 0.4364647      0.1652898     0.6836036      0.2348224     0.1937689      0.2327021     86.17223 20.10301 50.18792 20.71362 35.98432       28.86495 
1 1 1 5  9  92  o 68.66320 17.57045 0.4242306      0.1672777     0.3658693      0.2352816     0.4838844      0.2378724     59.66530 21.85333 68.16183 22.10897 -8.496536      31.08657 
1 1 1 5  9  93  o 136.3166 17.28085 1.661717       0.3179724     2.064436       0.3883746     0.8429189      0.5537811     147.5800 19.53876 66.31543 29.62193 81.26454       35.48552 
1 1 1 5  9  94  o 100.2073 25.46296 1.233254       0.3530490     1.706291       0.5047794     0.7802604      0.4939694     99.32603 32.20567 62.42831 27.92451 36.89771       42.62609 
1 1 1 5  9  95  o 83.67027 25.49059 0.9893396      0.3210617     1.269117       0.4669557     0.7384886      0.4421582     75.50163 29.98709 58.49350 26.27373 17.00814       39.86896 
1 1 1 5  9  96  f 65.42310 23.81487 0.6978035      0.2787974     0.4937773      0.4090180     0.8748602      0.3810267     48.50287 22.96349 61.78760 26.07134 -13.28473      34.74244 
1 1 1 5  9  97  o 35.24330 16.22593 0.9915182E-01  0.1822033     0.1769439      0.2877403     0.4708065E-01  0.2354138     38.62989 18.55385 34.73792 16.70962 3.891964       24.96912 
1 1 1 5  9  98  o 39.32806 19.35103 0.4687242      0.3690558     0.4687242      0.3690558     0.000000       0.000000      39.32806 19.35103 ?        ?        0.000000       19.35103 
1 1 1 5  9  99  o 22.04092 11.13389 -0.2389355     0.1626243     -0.2389355     0.1626243     0.000000       0.000000      22.04092 11.13389 ?        ?        0.000000       11.13389 
1 1 1 5  9  100 o 27.52737 13.94987 0.1074233      0.2681732     0.1074233      0.2681732     0.000000       0.000000      27.52737 13.94987 ?        ?        0.000000       13.94987 
1 1 1 5  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 0   o 170.8165 17.09738 2.102097       0.3940046     2.152927       0.5549698     2.050439       0.5594708     168.8125 25.53734 163.7241 26.93964 -0.000000      0.000000 
1 1 1 5  10 1   f 254.1175 11.65744 4.518106       0.4090493     4.587904       0.5771582     4.447663       0.5798171     253.8796 16.55435 249.7912 16.90993 4.088333       23.66415 
1 1 1 5  10 2   o 231.7489 11.65851 3.766882       0.3718859     3.818812       0.5218433     3.713295       0.5301064     231.5838 16.42558 228.1233 16.95000 3.460480       23.60301 
1 1 1 5  10 3   o 176.5412 13.59764 2.203416       0.3289210     2.245364       0.4028907     2.119577       0.5695766     177.2005 16.66151 168.4677 25.26382 8.732849       30.26328 
1 1 1 5  10 4   o 89.03266 18.10812 0.5839701      0.2150385     0.7251491      0.3069969     0.4479788      0.3013038     98.08797 23.05554 78.31713 24.82867 19.77084       33.88245 
1 1 1 5  10 5   o 200.0446 16.60075 2.856654       0.4544131     2.601623       0.6363404     3.122035       0.6491245     186.8691 25.31266 206.0871 23.21507 -19.21799      34.34632 
1 1 1 5  10 6   o 319.9554 16.65802 7.282201       0.7334101     7.304697       1.034983      7.259511       1.039428      315.5941 23.92818 314.4637 24.12175 1.130402       33.97671 
1 1 1 5  10 7   o 108.6528 17.68689 0.8601208      0.2562284     0.7503183      0.3608127     0.9718292      0.3639308     99.11572 26.02925 113.5183 23.96954 -14.40260      35.38448 
1 1 1 5  10 8   o 174.3269 16.76825 2.175751       0.3986567     2.274740       0.5650150     2.077618       0.5625644     175.1600 23.99128 166.6881 25.23068 8.471878       34.81622 
1 1 1 5  10 9   o 182.3821 13.70210 2.352704       0.3425480     2.266612       0.4204493     2.522660       0.5907463     177.7238 17.35432 184.7045 23.70991 -6.980637      29.38252 
1 1 1 5  10 10  o 140.4647 13.82325 1.401377       0.2646382     1.452173       0.3242252     1.299993       0.4580537     142.0706 16.85624 130.7118 26.28938 11.35878       31.22923 
1 1 1 5  10 11  o 148.6681 13.64255 1.567538       0.2769359     1.500474       0.3389750     1.702145       0.4802365     144.2527 17.36685 151.1501 23.79637 -6.897415      29.45971 
1 1 1 5  10 12  o 167.6892 13.65140 1.991398       0.3133530     2.081269       0.3838172     1.811769       0.5426311     170.4887 16.51073 154.7889 26.33081 15.69983       31.07919 
1 1 1 5  10 13  o 244.4659 13.46377 4.216733       0.4527365     4.342552       0.5539191     3.963541       0.7857755     246.8569 16.34282 231.0311 25.03181 15.82581       29.89447 
1 1 1 5  10 14  o 262.2371 13.47240 4.851405       0.4861921     4.727710       0.5922054     5.107162       0.8515509     257.3701 16.75521 263.3763 23.66780 -6.006226      28.99831 
1 1 1 5  10 15  o 224.7089 13.48943 3.566332       0.4166167     3.076365       0.5035318     4.629709       0.7418004     206.9081 17.79749 251.9690 21.52733 -45.06094      27.93164 
1 1 1 5  10 16  o 141.9943 11.90550 1.422919       0.2312755     1.570812       0.3242216     1.269706       0.3300008     147.9578 16.13099 131.9994 18.62267 15.95842       24.63762 
1 1 1 5  10 17  o 279.9405 11.68393 5.491810       0.4516402     5.633008       0.6373350     5.349381       0.6401054     281.0194 16.49688 273.5438 17.03124 7.475647       23.71097 
1 1 1 5  10 18  o 148.1577 11.81399 1.548386       0.2396808     1.788953       0.3382239     1.305715       0.3397007     158.0966 15.70098 133.7162 18.92681 24.38031       24.59156 
1 1 1 5  10 19  o 145.8301 11.83385 1.500804       0.2362376     1.464368       0.3327633     1.537826       0.3354335     142.3167 17.28832 146.0094 16.95302 -3.692749      24.21344 
1 1 1 5  10 20  o 55.80547 13.91330 0.2282361      0.1068403     0.2350266      0.1493218     0.2211133      0.1529328     57.12018 17.37988 55.86103 17.68674 1.259155       24.79680 
1 1 1 5  10 21  o 80.92771 13.05670 0.4720114      0.1409386     0.5881698      0.1987509     0.3545193      0.1998886     89.54999 16.68728 69.19568 19.87285 20.35431       25.94987 
1 1 1 5  10 22  o 122.6471 12.03050 1.065665       0.2011185     1.222288       0.2850784     0.9104715      0.2837751     130.1629 16.21273 111.0803 19.19546 19.08265       25.12605 
1 1 1 5  10 23  o 146.1178 11.84325 1.507735       0.2368969     1.563531       0.3359011     1.452519       0.3341514     147.1902 16.82954 141.5734 17.46338 5.616821       24.25290 
1 1 1 5  10 24  o 182.8464 13.69892 2.371952       0.3433547     2.290955       0.4183744     2.539053       0.6009251     178.3130 17.20560 184.2262 24.20896 -5.913193      29.70028 
1 1 1 5  10 25  o 123.5773 14.50217 1.094491       0.2427583     1.496787       0.2987500     0.3125668      0.4165024     144.5206 15.19836 74.00163 28.63549 70.51900       32.41885 
1 1 1 5  10 26  o 341.8503 13.67624 8.251398       0.6455660     8.065248       0.7864048     8.636067       1.130469      335.5463 17.02870 341.1264 24.15588 -5.580170      29.55475 
1 1 1 5  10 27  o 155.7816 13.97028 1.728113       0.2973169     1.703690       0.3626384     1.778194       0.5192880     153.3908 17.43083 152.9544 25.48383 0.4364014      30.87489 
1 1 1 5  10 28  o 249.8692 13.65613 4.421745       0.4693865     4.676393       0.5749735     3.912955       0.8127338     255.5943 16.37758 227.3984 26.37315 28.19586       31.04462 
1 1 1 5  10 29  o 346.9573 16.88354 8.605319       0.8088677     8.228421       1.126458      9.006516       1.162202      332.1221 24.74030 347.9381 24.34371 -15.81601      34.70877 
1 1 1 5  10 30  o 103.3602 18.62648 0.7899683      0.2560624     0.000000       0.000000      0.7899683      0.2560624     ?        ?        103.3602 18.62648 0.000000       18.62648 
1 1 1 5  10 31  o 69.96778 18.76538 0.3651094      0.1850341     0.000000       0.000000      0.3651094      0.1850341     ?        ?        69.96778 18.76538 0.000000       18.76538 
1 1 1 5  10 32  o 207.2582 16.97064 3.091581       0.4814195     0.000000       0.000000      3.091581       0.4814195     ?        ?        207.2582 16.97064 0.000000       16.97064 
1 1 1 5  10 33  o 157.5733 24.87344 1.882320       0.5232421     0.000000       0.000000      1.882320       0.5232421     ?        ?        157.5733 24.87344 0.000000       24.87344 
1 1 1 5  10 34  o 281.8436 13.57887 5.613846       0.5284573     5.538986       0.6506588     5.758937       0.9058301     277.6552 17.05362 278.0877 23.81984 -0.4325256     29.29523 
1 1 1 5  10 35  o 124.2496 14.20811 1.106547       0.2393811     1.043016       0.2964417     1.225620       0.4058361     119.0403 18.64690 126.8955 24.04156 -7.855278      30.42537 
1 1 1 5  10 36  o 181.4342 13.77892 2.341052       0.3426225     2.099190       0.4212902     2.813503       0.5888127     169.8909 18.24437 194.6598 22.30872 -24.76888      28.81902 
1 1 1 5  10 37  o 284.6875 11.80451 5.697734       0.4640390     5.630555       0.6560949     5.764977       0.6564057     279.8285 17.06147 283.2932 16.85637 -3.464722      23.98398 
1 1 1 5  10 38  o 227.8972 11.88350 3.662103       0.3726614     3.689507       0.5279796     3.634898       0.5260710     226.3068 17.02056 224.5778 17.09277 1.729065       24.12182 
1 1 1 5  10 39  o 89.56412 13.75332 0.5798450      0.1646529     0.6419203      0.2339208     0.5188890      0.2318025     92.73154 18.90953 82.85669 20.39735 9.874855       27.81407 
1 1 1 5  10 40  o 122.7304 12.68252 1.072955       0.2118298     1.126840       0.3006664     1.019848       0.2984905     123.9268 18.10453 117.4164 19.06431 6.510315       26.29110 
1 1 1 5  10 41  o 145.7436 12.25142 1.506236       0.2442678     1.431484       0.3464532     1.580125       0.3444493     139.7886 18.39553 147.4604 17.24211 -7.671753      25.21282 
1 1 1 5  10 42  o 76.20245 13.84741 0.4231934      0.1403384     0.4198410      0.2002896     0.4264266      0.1966961     74.71774 19.28309 75.34122 18.93053 -0.6234818     27.02226 
1 1 1 5  10 43  o 95.52635 13.37053 0.6570008      0.1715314     0.5314707      0.2434090     0.7808393      0.2417634     83.64527 21.08177 102.8932 17.65188 -19.24791      27.49599 
1 1 1 5  10 44  o 224.3188 12.00023 3.552846       0.3703533     3.280191       0.5220007     3.829206       0.5255345     212.6203 17.94760 230.6056 16.61549 -17.98534      24.45794 
1 1 1 5  10 45  o 245.1514 11.92880 4.231742       0.4038028     4.360523       0.5718900     4.103704       0.5702402     245.9186 16.94500 238.2281 17.45667 7.690506       24.32835 
1 1 1 5  10 46  o 291.5154 11.94621 5.984890       0.4808720     6.194215       0.6811157     5.776861       0.6790006     293.2776 16.89057 282.7860 17.47462 10.49158       24.30336 
1 1 1 5  10 47  o 211.2545 12.15079 3.155286       0.3529511     3.245243       0.4985813     3.064918       0.4997172     211.8070 17.19584 205.4784 17.78793 6.328537       24.74080 
1 1 1 5  10 48  o 61.60884 16.37410 0.2816633      0.1416805     0.1778165      0.1991809     0.3880200      0.2015734     54.30154 20.07121 71.80774 19.72435 -17.50620      28.14078 
1 1 1 5  10 49  o 157.9573 12.49184 1.771671       0.2702377     1.515508       0.3769999     2.042395       0.3875669     143.1404 19.58795 167.7912 16.96070 -24.65086      25.91048 
1 1 1 5  10 50  o 76.13115 14.63199 0.4254764      0.1482286     0.3057112      0.2078365     0.5494593      0.2114643     64.73156 20.63169 85.60683 18.43420 -20.87527      27.66742 
1 1 1 5  10 51  o 147.2483 12.55200 1.542711       0.2527754     1.467689       0.3554244     1.619492       0.3595684     141.1044 18.70272 148.7154 17.86772 -7.611069      25.86594 
1 1 1 5  10 52  o 114.3641 13.16479 0.9382752      0.2040999     0.9253594      0.2876450     0.9513713      0.2896472     111.2198 19.43756 112.8755 19.27575 -1.655693      27.37468 
1 1 1 5  10 53  o 233.0672 12.12898 3.847646       0.3889919     3.948919       0.5505233     3.746673       0.5497130     233.1771 17.22009 226.7906 17.69387 6.386475       24.69017 
1 1 1 5  10 54  o 91.80264 14.38895 0.6144860      0.1764047     0.7767130      0.2482726     0.4490806      0.2506929     101.9776 18.30399 76.54786 22.33442 25.42979       28.87668 
1 1 1 5  10 55  o 73.37058 15.56022 0.4003430      0.1527556     0.3943866      0.2136039     0.4065776      0.2185387     71.96770 20.50286 72.99829 20.71817 -1.030594      29.14807 
1 1 1 5  10 56  f 80.86664 15.33365 0.4842779      0.1649538     0.5493667      0.2310035     0.4165588      0.2356250     84.63575 20.07069 73.68357 21.69698 10.95218       29.55658 
1 1 1 5  10 57  o 79.98396 14.97122 0.4735225      0.1592702     0.4945615      0.2266178     0.4529868      0.2238912     80.04509 20.43343 76.60307 20.68287 3.442017       29.07415 
1 1 1 5  10 58  o 145.5092 12.98497 1.522499       0.2581560     1.448032       0.3641985     1.597697       0.3659836     138.4832 19.59283 146.1846 18.54838 -7.701340      26.98002 
1 1 1 5  10 59  o 77.07066 14.67752 0.4417873      0.1504949     0.6165676      0.2124471     0.2657346      0.2132190     90.15666 17.69716 60.75456 20.94961 29.40210       27.42400 
1 1 1 5  10 60  o 85.20287 14.84737 0.5399179      0.1683300     0.5291633      0.2384845     0.5505953      0.2376270     81.90385 20.99069 83.67238 20.68468 -1.768524      29.46973 
1 1 1 5  10 61  o 44.26487 15.74147 0.1288065      0.1209874     0.8750129E-01  0.1683946     0.1728791      0.1739444     44.59443 17.90796 51.38757 18.79485 -6.793144      25.96038 
1 1 1 5  10 62  o 128.1306 13.31159 1.198563       0.2320786     1.249049       0.3256443     1.146455       0.3308346     127.3716 19.10461 121.0038 20.53447 6.367744       28.04729 
1 1 1 5  10 63  o 55.38386 17.00828 0.2329240      0.1425834     0.1005322      0.1961781     0.3811701      0.2075924     47.35569 19.21878 69.19498 20.36269 -21.83929      28.00001 
1 1 1 5  10 64  f 47.08199 17.58540 0.1408664      0.1536888     0.3190587      0.2949872     0.7447632E-01  0.1800572     65.29719 24.36818 44.25543 18.23776 21.04176       30.43721 
1 1 1 5  10 65  o 89.93410 18.95560 0.6429734      0.2279754     0.7430151      0.4112166     0.5985816      0.2739249     89.74023 29.06505 84.34997 22.92066 5.390266       37.01532 
1 1 1 5  10 66  o 40.97404 15.19089 0.1056189      0.1142662     0.1503807      0.1533189     0.4969095E-01  0.1713787     47.53445 17.60165 41.65643 17.52598 5.878025       24.83904 
1 1 1 5  10 67  o 67.79802 14.52840 0.3535801      0.1319194     0.3351789      0.1616663     0.3902479      0.2282126     64.78451 17.61027 68.47202 21.59776 -3.687508      27.86727 
1 1 1 5  10 68  o 169.7998 12.38767 2.121095       0.2884416     2.191752       0.4070243     2.049815       0.4088176     167.2345 17.90431 160.7760 18.76817 6.458466       25.93855 
1 1 1 5  10 69  o 55.45066 13.02075 0.2352242      0.9799449E-01 0.2627273      0.1449058     0.2120460      0.1330255     57.52039 17.03618 52.27532 16.48951 5.245071       23.70940 
1 1 1 5  10 70  o 154.5093 10.36440 1.730210       0.2198434     1.779760       0.3098854     1.680003       0.3119358     153.0090 14.85435 148.0525 15.48772 4.956421       21.45975 
1 1 1 5  10 71  o 78.21485 12.99858 0.4627562      0.1354581     0.5502154      0.1912531     0.3747209      0.1918819     82.90138 17.26810 67.09315 19.52952 15.80824       26.06894 
1 1 1 5  10 72  o 56.64970 15.93257 0.2547228      0.1298511     0.1787386      0.2224734     0.2939833      0.1599169     52.30737 20.72254 60.16306 17.91469 -7.855690      27.39269 
1 1 1 5  10 73  o 96.23664 13.31201 0.7002929      0.1721607     1.014927       0.2901648     0.5293586      0.2138733     111.0351 19.64422 79.54067 19.59968 31.49439       27.74965 
1 1 1 5  10 74  o 69.72127 13.74652 0.3744082      0.1276377     0.4333425      0.1837019     0.3194026      0.1774731     72.53802 18.33219 62.16635 18.95466 10.37167       26.36946 
1 1 1 5  10 75  o 114.2942 11.06670 0.9596680      0.1724674     1.058191       0.2457828     0.8640985      0.2420712     116.7593 15.63762 103.9809 17.47996 12.77843       23.45387 
1 1 1 5  10 76  f 85.76201 12.39770 0.5518658      0.1425551     0.6189688      0.2037396     0.4875053      0.1995328     87.75541 17.42825 76.65865 18.95642 11.09676       25.75053 
1 1 1 5  10 77  o 31.01260 12.32040 0.4397335E-01  0.7884189E-01 0.6394169E-01  0.1153430     0.2646142E-01  0.1080158     36.89226 14.81887 33.07784 13.91515 3.814419       20.32807 
1 1 1 5  10 78  o 143.9793 10.70582 1.513086       0.2113201     1.761909       0.3019982     1.274369       0.2958016     152.0524 14.56188 126.7244 17.36093 25.32798       22.65944 
1 1 1 5  10 79  o 62.19843 14.40337 0.3027458      0.1212678     0.4185217      0.1762119     0.1985785      0.1671444     71.42017 17.90251 51.33206 18.47570 20.08812       25.72647 
1 1 1 5  10 80  o 136.4172 10.79792 1.364183       0.2017359     1.294191       0.2888259     1.430856       0.2818958     127.8576 16.76346 135.9206 15.28497 -8.063034      22.68576 
1 1 1 5  10 81  o 116.9060 11.28249 1.012071       0.1798668     1.279173       0.2583431     0.7607898      0.2505749     128.5452 14.82655 94.88536 19.76661 33.65984       24.70922 
1 1 1 5  10 82  o 118.0518 11.25304 1.035999       0.1812135     1.200957       0.2588915     0.8775467      0.2537354     123.4096 15.53693 102.6421 18.58698 20.76746       24.22544 
1 1 1 5  10 83  o 75.84349 13.40916 0.4486518      0.1352924     0.5612986      0.1910878     0.3354264      0.1915778     82.01871 17.41099 61.75144 19.82165 20.26727       26.38258 
1 1 1 5  10 84  o 40.39608 14.63381 0.1187961      0.1050871     0.5500719E-01  0.1412459     0.1978835      0.1572741     37.65359 15.87997 49.44724 17.90398 -11.79365      23.93169 
1 1 1 5  10 85  o 47.11037 15.25496 0.1824793      0.1132837     0.8834895E-01  0.1501095     0.3070186      0.1726620     40.17216 16.61271 58.28401 18.82912 -18.11185      25.11011 
1 1 1 5  10 86  o 72.60678 14.89772 0.4403625      0.1443523     0.5424182      0.1891414     0.2979906      0.2233984     77.76189 17.97485 55.51596 21.09936 22.24593       27.71783 
1 1 1 5  10 87  o 70.26401 17.49755 0.4527879      0.1691190     0.4875855      0.1938533     0.3419315      0.3460026     70.89879 19.28861 55.39939 24.12868 15.49939       30.89084 
1 1 1 5  10 88  o 62.16797 17.79583 0.3741147      0.1605275     0.3532491      0.1860953     0.4347856      0.3173294     58.15973 19.58035 57.50097 23.99696 0.6587563      30.97166 
1 1 1 5  10 89  o 71.34972 20.69197 0.5716433      0.2157602     0.5738472      0.2702852     0.5677720      0.3582264     64.89951 23.47531 58.39874 24.98282 6.500771       34.28165 
1 1 1 5  10 90  o 32.57397 14.63288 0.3484040E-01  0.1371870     -0.4790976E-01 0.1781732     0.1553302      0.2149974     31.79185 15.08188 41.17535 18.41997 -9.383499      23.80668 
1 1 1 5  10 91  o 59.80875 20.62304 0.5056930      0.2066228     0.5289830      0.2598965     0.4656852      0.3406335     54.61684 22.13645 47.14631 21.87479 7.470524       31.12120 
1 1 1 5  10 92  f 20.70419 10.33425 -0.2042516     0.1204205     -0.2042516     0.1204205     0.000000       0.000000      20.70419 10.33425 ?        ?        0.000000       10.33425 
1 1 1 5  10 93  o 35.78908 17.62424 0.3138979      0.3082437     0.3138979      0.3082437     0.000000       0.000000      35.78908 17.62424 ?        ?        0.000000       17.62424 
1 1 1 5  10 94  o 30.23099 15.10683 0.1589240      0.2606426     0.1589240      0.2606426     0.000000       0.000000      30.23099 15.10683 ?        ?        0.000000       15.10683 
1 1 1 5  10 95  o 21.78946 11.01618 -0.1271906     0.1612188     -0.1271906     0.1612188     0.000000       0.000000      21.78946 11.01618 ?        ?        0.000000       11.01618 
1 1 1 5  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 3   o 145.6316 25.55449 1.620697       0.4951366     1.620697       0.4951366     0.000000       0.000000      145.6316 25.55449 ?        ?        0.000000       25.55449 
1 1 1 5  11 4   o 170.0023 16.99939 2.086933       0.3936994     2.024964       0.5572641     2.148685       0.5562872     163.1162 25.58298 168.6705 24.60948 -5.554276      35.49811 
1 1 1 5  11 5   o 70.46489 23.16122 0.3582830      0.2607261     0.000000       0.000000      0.3582830      0.2607261     ?        ?        70.46489 23.16122 0.000000       23.16122 
1 1 1 5  11 6   o 148.8120 25.63264 1.691938       0.5076984     0.000000       0.000000      1.691938       0.5076984     ?        ?        148.8120 25.63264 0.000000       25.63264 
1 1 1 5  11 7   o 264.4088 24.48761 5.230252       0.8838969     0.000000       0.000000      5.230252       0.8838969     ?        ?        264.4088 24.48761 0.000000       24.48761 
1 1 1 5  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 11  o 146.2307 25.82284 1.638155       0.5023457     1.638155       0.5023457     0.000000       0.000000      146.2307 25.82284 ?        ?        0.000000       25.82284 
1 1 1 5  11 12  o 277.2587 24.57866 5.754790       0.9312275     5.754790       0.9312275     0.000000       0.000000      277.2587 24.57866 ?        ?        0.000000       24.57866 
1 1 1 5  11 13  o 204.5352 24.80080 3.151537       0.6861187     3.151537       0.6861187     0.000000       0.000000      204.5352 24.80080 ?        ?        0.000000       24.80080 
1 1 1 5  11 14  o 200.9463 24.83386 3.044422       0.6744041     3.044422       0.6744041     0.000000       0.000000      200.9463 24.83386 ?        ?        0.000000       24.83386 
1 1 1 5  11 15  o 267.4753 16.85862 5.140361       0.6194635     5.140361       0.6194635     0.000000       0.000000      267.4753 16.85862 ?        ?        0.000000       16.85862 
1 1 1 5  11 16  o 117.3670 18.03614 1.011221       0.2829455     1.011221       0.2829455     0.000000       0.000000      117.3670 18.03614 ?        ?        0.000000       18.03614 
1 1 1 5  11 17  o 166.5685 17.13071 2.007709       0.3883930     2.007709       0.3883930     0.000000       0.000000      166.5685 17.13071 ?        ?        0.000000       17.13071 
1 1 1 5  11 18  o 236.9263 16.85308 4.038702       0.5477586     4.038702       0.5477586     0.000000       0.000000      236.9263 16.85308 ?        ?        0.000000       16.85308 
1 1 1 5  11 19  o 163.7340 13.93043 1.911091       0.3119570     2.232663       0.3817180     1.264397       0.5413184     176.2738 15.85209 125.1372 31.38353 51.13660       35.15985 
1 1 1 5  11 20  o 296.6996 13.65527 6.228749       0.5594422     6.471406       0.6850477     5.742897       0.9693395     300.2952 16.58522 275.5871 25.77217 24.70813       30.64758 
1 1 1 5  11 21  o 179.0716 13.92486 2.283870       0.3416070     2.442873       0.4178892     1.963603       0.5930803     184.0659 16.62113 158.8040 28.07360 25.26195       32.62497 
1 1 1 5  11 22  o 262.7242 13.73162 4.898524       0.4964200     4.755036       0.6052456     5.193464       0.8677415     256.8929 17.16120 263.3041 24.13543 -6.411163      29.61462 
1 1 1 5  11 23  o 223.8875 13.83729 3.562581       0.4256816     4.190821       0.5250071     2.357002       0.7272780     241.8637 15.80709 171.5870 31.86895 70.27669       35.57378 
1 1 1 5  11 24  o 273.1104 13.74846 5.293880       0.5168179     5.396202       0.6327324     5.088772       0.8958285     273.9161 16.81004 259.5359 25.31957 14.38025       30.39175 
1 1 1 5  11 25  o 290.3344 11.83939 5.930864       0.4746415     6.013685       0.6717302     5.848282       0.6707598     289.1252 16.89917 284.9556 17.12667 4.169678       24.06044 
1 1 1 5  11 26  o 157.9107 12.05230 1.765341       0.2608117     2.023391       0.3709753     1.513138       0.3667480     167.4975 16.24399 143.4974 18.97450 24.00012       24.97797 
1 1 1 5  11 27  o 146.4700 12.05530 1.520263       0.2416525     1.412732       0.3402527     1.629704       0.3432637     138.9186 18.17368 149.9033 16.87718 -10.98470      24.80165 
1 1 1 5  11 28  f 50.67096 14.17089 0.1874750      0.1030257     0.2579725      0.1453244     0.1162434      0.1460792     59.19036 16.92827 45.67163 17.12761 13.51873       24.08155 
1 1 1 5  11 29  o 103.2957 12.68408 0.7635192      0.1771153     0.7585521      0.2494131     0.7685720      0.2515583     101.0480 18.55924 101.7146 18.59618 -0.6666641     26.27286 
1 1 1 5  11 30  o 227.5394 11.82555 3.653318       0.3702684     3.337603       0.5195970     3.979052       0.5277761     214.6105 17.69153 235.2275 16.35049 -20.61707      24.09002 
1 1 1 5  11 31  o 176.6913 11.97641 2.208091       0.2904741     2.284092       0.4099843     2.131488       0.4116052     177.6621 16.91650 171.2247 17.66276 6.437393       24.45692 
1 1 1 5  11 32  o 96.62337 13.09398 0.6711304      0.1701993     0.6338561      0.2393307     0.7092690      0.2420895     91.84987 19.47465 97.57490 18.64783 -5.725029      26.96300 
1 1 1 5  11 33  o 278.8188 11.91216 5.474838       0.4586177     5.470994       0.6452463     5.478763       0.6519726     275.4391 17.04913 275.5155 17.22386 -0.7641602E-01 24.23498 
1 1 1 5  11 34  o 100.3398 13.14744 0.7233278      0.1777769     0.7033935      0.2484494     0.7442431      0.2544884     96.92435 19.24258 99.79326 19.16502 -2.868912      27.15833 
1 1 1 5  11 35  f 102.9412 12.81723 0.7594793      0.1782431     0.6064163      0.2462282     0.9279925      0.2583567     89.47280 20.38492 112.4579 17.18301 -22.98509      26.66084 
1 1 1 5  11 36  o 165.6300 12.19586 1.944633       0.2769641     1.815466       0.3892095     2.077141       0.3942112     157.5095 18.23236 169.1422 17.11423 -11.63268      25.00631 
1 1 1 5  11 37  o 118.5643 12.66286 1.003836       0.2041050     0.8261514      0.2860651     1.188086       0.2913024     104.6487 20.53008 127.5366 16.96205 -22.88787      26.63072 
1 1 1 5  11 38  o 275.3926 11.89562 5.347083       0.4523527     5.362547       0.6391168     5.331558       0.6403317     272.3457 17.08149 271.4928 17.16925 0.8529053      24.21901 
1 1 1 5  11 39  o 85.20867 14.12860 0.5288987      0.1604106     0.4639660      0.2250768     0.5959246      0.2286757     78.07583 20.58444 88.91718 19.18790 -10.84135      28.14062 
1 1 1 5  11 40  o 207.0879 12.06402 3.037361       0.3434785     2.888845       0.4840012     3.188046       0.4875217     199.0353 17.79859 209.6388 16.98771 -10.60352      24.60431 
1 1 1 5  11 41  o 216.5028 12.08193 3.320989       0.3597513     3.496970       0.5102932     3.147101       0.5072508     219.5116 16.96717 207.6359 17.86621 11.87569       24.63913 
1 1 1 5  11 42  o 101.4466 13.81398 0.7447612      0.1884743     0.6361107      0.2648947     0.8561586      0.2682224     90.96978 21.43916 106.9687 18.84796 -15.99892      28.54616 
1 1 1 5  11 43  o 81.63723 14.68496 0.4898348      0.1594519     0.5173891      0.2241592     0.4616118      0.2268633     82.31449 19.93363 77.60535 20.76355 4.709137       28.78323 
1 1 1 5  11 44  o 64.60294 14.92333 0.3105731      0.1304425     0.3221545      0.1811818     0.2981100      0.1879515     65.42827 18.95773 63.32579 19.54096 2.102478       27.22581 
1 1 1 5  11 45  o 113.2536 13.10295 0.9240883      0.2011242     0.8332252      0.2823524     1.017679       0.2865595     104.5507 20.28992 116.7183 18.38883 -12.16757      27.38302 
1 1 1 5  11 46  o 132.1619 12.70562 1.253343       0.2290101     1.231953       0.3197617     1.275868       0.3281392     128.3602 18.58142 130.5835 18.73508 -2.223236      26.38697 
1 1 1 5  11 47  o 79.88692 14.40316 0.4713447      0.1530360     0.5242401      0.2115492     0.4132747      0.2216555     82.72586 18.92941 73.09617 20.90700 9.629692       28.20328 
1 1 1 5  11 48  o 118.9552 13.05731 1.023387       0.2109471     0.9222618      0.2930602     1.132120       0.3038825     109.5842 20.10841 122.5413 18.53839 -12.95713      27.34996 
1 1 1 5  11 49  o 113.2334 13.27804 0.9314916      0.2036679     0.9312093      0.2835715     0.9317924      0.2927054     110.3282 19.31779 109.9887 20.00994 0.3395462      27.81322 
1 1 1 5  11 50  o 61.42815 16.21465 0.2868553      0.1395509     0.2335315      0.1909234     0.3480223      0.2044832     57.16754 19.81771 67.04324 20.32471 -9.875706      28.38724 
1 1 1 5  11 51  o 66.00612 15.78510 0.3315678      0.1419288     0.4358660      0.1966431     0.2181541      0.2050563     74.70162 19.01507 56.38210 20.43921 18.31952       27.91656 
1 1 1 5  11 52  o 106.4680 13.78518 0.8342786      0.1979023     0.9091583      0.2771150     0.7563381      0.2827215     108.2613 19.24243 97.16298 21.62902 11.09837       28.94971 
1 1 1 5  11 53  o 116.1712 13.45630 0.9914069      0.2118585     0.9018411      0.2941149     1.087998       0.3054318     106.5574 20.73541 118.2070 19.38469 -11.64968      28.38527 
1 1 1 5  11 54  o 133.2552 13.25323 1.302784       0.2406266     1.509713       0.3393988     1.093650       0.3412031     140.2916 17.93043 116.2158 22.06936 24.07582       28.43514 
1 1 1 5  11 55  o 85.96612 17.61336 0.5774731      0.2020490     0.7775764      0.2396411     0.8548683E-01  0.3757600     99.83271 18.04834 57.52035 25.09604 42.31236       30.91203 
1 1 1 5  11 56  f 47.63775 19.35731 0.1091034      0.1993002     0.2288150      0.2769507     -0.1947604E-01 0.2870253     58.89613 23.18799 47.86524 21.35712 11.03089       31.52475 
1 1 1 5  11 57  o 83.77952 28.70910 0.6527957      0.4001371     0.6527957      0.4001371     0.000000       0.000000      83.77952 28.70910 ?        ?        0.000000       28.70910 
1 1 1 5  11 58  o 152.2231 28.72822 2.121410       0.5817094     2.121410       0.5817094     0.000000       0.000000      152.2231 28.72822 ?        ?        0.000000       28.72822 
1 1 1 5  11 59  o 131.2247 19.27526 1.379418       0.3388551     1.522699       0.4794824     1.236458       0.4789450     128.9334 27.75368 112.6806 30.17801 16.25280       40.99974 
1 1 1 5  11 60  o 103.8041 16.75812 0.8427486      0.2320208     1.522774       0.3888723     0.4668477      0.2891220     135.4750 21.50647 72.86002 24.40642 62.61496       32.53001 
1 1 1 5  11 61  o 83.65059 15.91906 0.5471483      0.1771580     0.6392900      0.2522265     0.4574314      0.2488855     86.89785 21.20717 72.71132 22.49473 14.18653       30.91532 
1 1 1 5  11 62  o 142.0310 13.55208 1.513164       0.2625582     1.723720       0.3761494     1.313098       0.3666591     146.2931 19.07466 124.5388 22.13251 21.75431       29.21798 
1 1 1 5  11 63  o 40.76300 15.69794 0.9894554E-01  0.1246999     0.2112768      0.1705297     -0.3015412E-01 0.1828151     52.72770 18.69520 37.95767 16.98266 14.77003       25.25710 
1 1 1 5  11 64  o 45.14682 16.55004 0.1410244      0.1349848     -0.9666301E-03 0.1859708     0.2991253      0.1962372     39.62791 17.46158 60.35323 20.10608 -20.72531      26.63008 
1 1 1 5  11 65  o 90.96704 15.80603 0.6479267      0.1913335     0.5805452      0.2718456     0.7140743      0.2693446     80.69427 23.17546 91.02247 21.73057 -10.32820      31.76979 
1 1 1 5  11 66  o 91.88960 15.62280 0.6595387      0.1911314     0.9284118      0.2780712     0.4187523      0.2631471     105.9996 19.72415 68.97446 23.28339 37.02512       30.51489 
1 1 1 5  11 67  o 41.66974 16.27228 0.1009449      0.1354463     0.4447584      0.1984872     -0.1986775     0.1852927     72.90138 19.38318 31.62318 15.10787 41.27821       24.57550 
1 1 1 5  11 68  o 53.61584 17.72056 0.2264014      0.1525444     0.4915416      0.2210682     -0.1459204E-01 0.2107614     75.95575 20.57051 41.14374 18.33374 34.81201       27.55489 
1 1 1 5  11 69  o 49.69032 17.16379 0.1867227      0.1431497     0.1435405      0.2015597     0.2306714      0.2033405     48.99785 19.62188 55.05454 20.29294 -6.056690      28.22803 
1 1 1 5  11 70  o 55.66249 17.66389 0.2477981      0.1524713     0.3063315      0.2159805     0.1896465      0.2152752     60.91906 21.08036 52.60896 20.52275 8.310108       29.42048 
1 1 1 5  11 71  o 81.33325 12.36796 0.4973701      0.1345241     0.6924849      0.1928746     0.3125415      0.1877217     94.34238 15.33219 61.38264 19.61252 32.95974       24.89432 
1 1 1 5  11 72  o 45.76756 14.43278 0.1600987      0.1019160     0.1027947      0.1471751     0.2128953      0.1412682     42.57421 16.85846 52.02714 17.04618 -9.452927      23.97457 
1 1 1 5  11 73  o 52.41917 14.15412 0.2156552      0.1048491     0.7494460E-01  0.1496462     0.3513387      0.1469487     40.61166 16.66838 66.00174 16.23581 -25.39008      23.26878 
1 1 1 5  11 74  o 69.06048 12.96088 0.3668515      0.1190559     0.3266843      0.1690186     0.4064083      0.1677296     62.39859 18.37684 70.15588 17.39935 -7.757294      25.30702 
1 1 1 5  11 75  o 59.68471 13.87774 0.2813013      0.1122067     0.3251514      0.1586770     0.2374432      0.1586915     62.26266 17.64806 53.83230 18.08151 8.430359       25.26648 
1 1 1 5  11 76  f 89.53783 11.92124 0.6089963      0.1437265     0.5973788      0.2020548     0.6208952      0.2044870     84.09959 17.94625 85.89362 17.82500 -1.794037      25.29424 
1 1 1 5  11 77  o 24.88681 10.94982 -0.8392096E-02 0.7287831E-01 -0.6919169E-01 0.1022504     0.5438551E-01  0.1039004     25.64741 11.92849 34.15774 13.93904 -8.510334      18.34627 
1 1 1 5  11 78  o 48.65998 13.96806 0.1933910      0.9877284E-01 0.2226252      0.1386157     0.1632362      0.1407813     51.08195 16.89261 45.53079 16.86524 5.551155       23.87041 
1 1 1 5  11 79  o 25.34440 11.06982 -0.5942790E-03 0.7328919E-01 -0.6672448E-01 0.1019463     0.7013931E-01  0.1054349     25.43084 11.85541 35.12217 14.14685 -9.691322      18.45763 
1 1 1 5  11 80  o 65.66999 15.28546 0.3725128      0.1360094     0.5900543      0.1711020     -0.8814309E-03 0.2241650     82.96879 15.50502 39.28209 18.05285 43.68670       23.79729 
1 1 1 5  11 81  o 58.24504 15.71037 0.3058555      0.1292548     0.4020048      0.1631217     0.1436290      0.2118846     64.93171 17.70565 44.10802 19.04588 20.82369       26.00454 
1 1 1 5  11 82  o 62.05618 15.99015 0.3590648      0.1378701     0.4650447      0.1756984     0.1892347      0.2224147     68.00381 18.30580 45.29344 19.53566 22.71038       26.77208 
1 1 1 5  11 83  o 40.32494 15.97334 0.1485655      0.1321689     0.2109512      0.1871122     0.8644193E-01  0.1867185     44.62270 18.50805 38.00415 17.07184 6.618542       25.17927 
1 1 1 5  11 84  o 40.77562 16.85147 0.1753141      0.1543125     0.2475532      0.1920381     0.4366326E-01  0.2592465     44.59029 18.64341 37.10572 17.76581 7.484570       25.75268 
1 1 1 5  11 85  o 47.53679 20.23919 0.3968445      0.2330812     0.3968445      0.2330812     0.000000       0.000000      47.53679 20.23919 ?        ?        0.000000       20.23919 
1 1 1 5  11 86  o 32.34550 15.80195 0.4533402E-01  0.2328523     0.4533402E-01  0.2328523     0.000000       0.000000      32.34550 15.80195 ?        ?        0.000000       15.80195 
1 1 1 5  11 87  o 36.53909 18.09879 0.4906717      0.3420421     0.4906717      0.3420421     0.000000       0.000000      36.53909 18.09879 ?        ?        0.000000       18.09879 
1 1 1 5  11 88  o 33.87769 17.16912 0.8225150      0.4066801     0.8225150      0.4066801     0.000000       0.000000      33.87769 17.16912 ?        ?        0.000000       17.16912 
1 1 1 5  11 89  o 25.88404 13.15751 0.1409093      0.2515967     0.1409093      0.2515967     0.000000       0.000000      25.88404 13.15751 ?        ?        0.000000       13.15751 
1 1 1 5  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 4   o 129.3703 18.57614 1.233365       0.3223188     2.151804       0.4705278     0.4213624      0.4424243     170.5293 20.38658 79.46244 29.80578 91.06683       36.11090 
1 1 1 5  12 5   o 57.46602 21.36509 0.1993278      0.2263406     0.000000       0.000000      0.1993278      0.2263406     ?        ?        57.46602 21.36509 0.000000       21.36509 
1 1 1 5  12 6   o 66.62365 23.11889 0.3088480      0.2598596     0.000000       0.000000      0.3088480      0.2598596     ?        ?        66.62365 23.11889 0.000000       23.11889 
1 1 1 5  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 8   o 232.0765 24.93467 4.086922       0.7865177     0.000000       0.000000      4.086922       0.7865177     ?        ?        232.0765 24.93467 0.000000       24.93467 
1 1 1 5  12 9   o 143.2802 26.34978 1.595541       0.5021058     0.000000       0.000000      1.595541       0.5021058     ?        ?        143.2802 26.34978 0.000000       26.34978 
1 1 1 5  12 10  o 114.8392 26.69384 1.038637       0.4152525     0.000000       0.000000      1.038637       0.4152525     ?        ?        114.8392 26.69384 0.000000       26.69384 
1 1 1 5  12 11  o 165.2748 17.49409 1.989275       0.3931728     2.068195       0.5549541     1.909740       0.5571129     164.1720 25.29265 156.7839 26.69005 7.388077       36.77060 
1 1 1 5  12 12  o 76.46559 19.51023 0.4420277      0.2066731     0.1231818      0.2915235     0.7642045      0.2930423     57.17068 23.34147 100.0596 21.82411 -42.88889      31.95491 
1 1 1 5  12 13  o 106.9881 19.09309 0.8539149      0.2717186     1.332037       0.3875768     0.3917781      0.3810428     132.8769 21.88584 75.79946 27.80335 57.07748       35.38385 
1 1 1 5  12 14  o 150.9355 18.03564 1.668795       0.3684454     2.750818       0.5287523     0.6475208      0.5136948     192.9931 20.13801 91.90205 32.46231 101.0911       38.20132 
1 1 1 5  12 15  f 176.6277 17.50752 2.271787       0.4213688     2.233444       0.5910800     2.311408       0.6008512     170.0751 25.99450 173.1037 25.93621 -3.028595      36.72058 
1 1 1 5  12 16  o 150.1572 17.84012 1.650859       0.3626601     1.697644       0.5080482     1.602252       0.5178498     147.9788 25.80197 142.7953 27.25778 5.183456       37.53303 
1 1 1 5  12 17  o 156.8849 17.75002 1.800093       0.3777546     2.021076       0.5294679     1.570984       0.5391141     162.6012 24.32954 140.3466 28.78482 22.25458       37.68942 
1 1 1 5  12 18  o 176.8181 17.51264 2.279187       0.4219562     1.875544       0.5845565     2.718317       0.6097104     153.7428 28.58777 189.1986 23.86941 -35.45580      37.24257 
1 1 1 5  12 19  o 92.68132 16.23849 0.6331599      0.2002402     0.7912346      0.2424525     0.2939848      0.3551464     103.3403 17.62316 69.40312 26.54916 33.93717       31.86587 
1 1 1 5  12 20  o 168.5853 14.41631 2.039659       0.3323647     1.967653       0.4045377     2.189219       0.5830173     163.7525 18.19877 168.0278 25.96536 -4.275284      31.70797 
1 1 1 5  12 21  o 226.6248 17.22620 3.731862       0.5350221     4.664172       0.7526537     2.779559       0.7606811     249.6517 22.06047 185.7269 30.73628 63.92488       37.83363 
1 1 1 5  12 22  o 185.4398 17.55423 2.511089       0.4441428     3.674365       0.6256277     1.329146       0.6306276     222.4245 20.60422 124.4150 35.15376 98.00946       40.74703 
1 1 1 5  12 23  o 206.6066 17.31821 3.110526       0.4895084     3.160284       0.6793838     3.056805       0.7059172     202.9286 24.75904 198.1906 26.45533 4.737991       36.23388 
1 1 1 5  12 24  o 72.08577 17.17220 0.3904847      0.1684894     0.5043433      0.2010301     0.1216734      0.3088883     81.75658 18.26758 57.93990 23.88343 23.81667       30.06863 
1 1 1 5  12 25  o 123.5508 18.72199 1.136968       0.3093929     1.252606       0.4256926     1.007487       0.4504517     126.2908 25.29293 111.0201 29.04865 15.27069       38.51696 
1 1 1 5  12 26  o 156.8391 17.92630 1.812419       0.3812506     1.942990       0.5276709     1.669812       0.5514548     158.0403 25.01273 143.7338 28.78882 14.30643       38.13702 
1 1 1 5  12 27  o 146.4141 12.57976 1.532052       0.2518577     1.612701       0.3546893     1.450033       0.3576909     147.8666 17.72485 139.4260 19.07981 8.440659       26.04246 
1 1 1 5  12 28  o 108.6719 13.27966 0.8527711      0.1951245     0.7911346      0.2731462     0.9170027      0.2788371     101.8665 20.13269 110.4022 18.97478 -8.535675      27.66528 
1 1 1 5  12 29  o 132.7030 12.65117 1.262665       0.2290118     1.209418       0.3207582     1.318030       0.3270775     127.0757 18.85164 133.0435 18.28764 -5.967789      26.26446 
1 1 1 5  12 30  o 119.7559 13.05092 1.033864       0.2123182     0.6543443      0.2948198     1.442768       0.3060199     90.94489 23.35526 140.2763 16.08994 -49.33144      28.36114 
1 1 1 5  12 31  o 69.64455 15.04565 0.3623728      0.1404620     0.3870934      0.1935196     0.3348490      0.2041967     71.01657 19.25174 66.40868 20.34738 4.607895       28.01152 
1 1 1 5  12 32  o 124.2420 12.85713 1.113355       0.2173805     1.013049       0.3022356     1.220855       0.3128859     115.2597 19.69778 127.5301 18.29162 -12.27036      26.88096 
1 1 1 5  12 33  o 107.1220 13.33124 0.8340847      0.1929251     0.8248029      0.2679839     0.8440709      0.2779644     103.7723 19.41576 104.7346 19.94885 -0.9623032     27.83753 
1 1 1 5  12 34  o 95.77917 13.82184 0.6725226      0.1775092     0.6970198      0.2469444     0.6463320      0.2553379     95.04196 19.47146 90.82489 20.80648 4.217072       28.49644 
1 1 1 5  12 35  o 49.60936 15.81373 0.1788446      0.1220986     0.1105509      0.1665569     0.2581804      0.1795176     46.18577 18.04214 58.94006 19.21117 -12.75429      26.35504 
1 1 1 5  12 36  o 129.3765 12.91508 1.213508       0.2276396     1.128003       0.3170904     1.304441       0.3270005     121.0700 19.64038 131.0137 18.59771 -9.943611      27.04846 
1 1 1 5  12 37  o 80.18124 14.88654 0.4818313      0.1587501     0.5100492      0.2221413     0.4523787      0.2269491     80.38815 20.07321 75.43596 21.00963 4.952194       29.05750 
1 1 1 5  12 38  o 50.28288 15.67074 0.1871659      0.1205358     0.1151433      0.1662431     0.2669963      0.1750223     46.25825 18.03769 59.30531 18.93631 -13.04706      26.15229 
1 1 1 5  12 39  o 60.22521 15.47212 0.2771551      0.1293514     0.2359074      0.1761352     0.3254448      0.1905784     56.44312 19.04893 64.52115 19.63524 -8.078026      27.35698 
1 1 1 5  12 40  o 53.93465 16.96221 0.2193438      0.1408625     0.3768569      0.1664422     -0.1782528     0.2644395     69.53416 17.38226 40.96882 19.09724 28.56534       25.82339 
1 1 1 5  12 41  o 69.45286 17.81080 0.3790081      0.1716262     0.4522539      0.2045708     0.2049276      0.3153748     75.20030 19.52751 59.87267 24.34202 15.32763       31.20669 
1 1 1 5  12 42  o 34.15426 13.80717 0.4500590E-01  0.1008291     0.1034401      0.1155663     -0.1412779     0.2063408     41.01851 15.26325 36.41788 16.94024 4.600628       22.80216 
1 1 1 5  12 43  o 42.89778 17.74899 0.6754761E-01  0.1714734     0.2816467      0.2434545     -0.1432265     0.2415567     61.12534 22.25366 39.69926 18.42000 21.42608       28.88809 
1 1 1 5  12 44  o 55.76745 22.56397 0.1802894      0.2695330     0.000000       0.000000      0.1802894      0.2695330     ?        ?        55.76745 22.56397 0.000000       22.56397 
1 1 1 5  12 45  o 89.62260 28.86016 0.7586253      0.4058814     0.000000       0.000000      0.7586253      0.4058814     ?        ?        89.62260 28.86016 0.000000       28.86016 
1 1 1 5  12 46  o 89.27365 27.80193 0.7447884      0.3794689     0.000000       0.000000      0.7447884      0.3794689     ?        ?        89.27365 27.80193 0.000000       27.80193 
1 1 1 5  12 47  o 156.1988 28.37012 2.232363       0.5893573     0.000000       0.000000      2.232363       0.5893573     ?        ?        156.1988 28.37012 0.000000       28.37012 
1 1 1 5  12 48  o 139.8531 18.78260 1.557312       0.3535472     1.733319       0.5038030     1.386533       0.4962646     138.0539 27.39548 119.6239 30.07580 18.43001       40.68250 
1 1 1 5  12 49  o 88.90173 17.05102 0.6250570      0.2016991     0.5993745      0.2496554     0.6733277      0.3422654     84.01328 21.44720 85.18406 26.38351 -1.170784      34.00106 
1 1 1 5  12 50  o 53.79955 16.19333 0.2271214      0.1301432     0.2046120      0.1798820     0.2518452      0.1885224     52.63168 19.13372 56.66317 19.68987 -4.031490      27.45525 
1 1 1 5  12 51  o 88.25240 14.98087 0.6010439      0.1760307     0.8693141      0.2492205     0.3339564      0.2486705     104.3003 17.95210 63.47211 22.56816 40.82815       28.83747 
1 1 1 5  12 52  o 68.46370 16.40011 0.3737970      0.1530007     0.6262289      0.2177939     0.1278349      0.2149847     87.67928 18.56719 48.93193 20.01876 38.74735       27.30368 
1 1 1 5  12 53  o 99.65596 14.58442 0.7612027      0.1947523     0.8459163      0.2754492     0.6765234      0.2753934     100.5715 20.52952 87.96675 22.56311 12.60473       30.50500 
1 1 1 5  12 54  o 74.11856 16.24135 0.4366338      0.1616299     0.4589997      0.2285713     0.4142646      0.2285872     72.99613 21.33431 69.36265 21.57429 3.633484       30.34144 
1 1 1 5  12 55  o 62.00100 17.38652 0.3118465      0.1548683     0.4209661      0.2204887     0.2055926      0.2175742     70.07483 21.07419 53.76474 20.72687 16.31009       29.55883 
1 1 1 5  12 56  o 41.24584 15.30468 0.1116085      0.1160333     0.1102701      0.1601300     0.1130883      0.1683719     44.17092 17.55499 44.92808 17.95445 -0.7571602     25.11056 
1 1 1 5  12 57  o 57.73793 17.08899 0.2680261      0.1458425     0.3637704      0.2022731     0.1643585      0.2104764     65.69758 20.27162 50.77474 20.14318 14.92284       28.57772 
1 1 1 5  12 58  o 49.94286 16.87839 0.1906042      0.1382843     0.2379464      0.1931963     0.1408685      0.1980199     55.36095 19.87001 48.63721 19.45895 6.723740       27.81129 
1 1 1 5  12 59  o 80.20630 16.23475 0.5092637      0.1736311     0.7280141      0.2490308     0.3023255      0.2422139     93.54320 19.89193 60.95325 22.19599 32.58995       29.80522 
1 1 1 5  12 60  o 92.75708 15.57605 0.6705987      0.1924282     0.9480782      0.2744398     0.4022503      0.2698865     107.7307 19.15057 67.86517 23.56008 39.86552       30.36152 
1 1 1 5  12 61  o 58.28659 17.44201 0.2743869      0.1513122     0.3571558      0.2153037     0.1936110      0.2126957     64.90666 21.03203 52.75042 20.44898 12.15625       29.33440 
1 1 1 5  12 62  o 70.64692 17.05962 0.4039120      0.1645371     0.2625046      0.2339764     0.5422532      0.2314258     57.90297 21.68394 79.50652 20.83011 -21.60355      30.06804 
1 1 1 5  12 63  o 78.46577 16.72452 0.4946316      0.1756666     0.9085445      0.2515741     0.1007822      0.2454010     106.1630 17.79095 48.86721 20.78549 57.29575       27.35972 
1 1 1 5  12 64  o 43.90005 16.19568 0.1335512      0.1295650     0.3026413      0.1833956     -0.3493883E-01 0.1830699     60.18336 19.40167 37.44987 16.85608 22.73349       25.70121 
1 1 1 5  12 65  o 111.6567 14.74220 0.9685530      0.2217344     0.9966289      0.3140948     0.9406604      0.3130674     106.3704 22.10630 102.6106 22.69747 3.759727       31.68380 
1 1 1 5  12 66  o 40.25826 15.84217 0.9556323E-01  0.1292120     0.2638075      0.1839327     -0.6836337E-01 0.1815572     56.25772 19.45439 35.53566 16.29995 20.72205       25.38034 
1 1 1 5  12 67  o 89.65479 16.14241 0.6524008      0.1924894     0.8665559      0.2715277     0.4360442      0.2729199     99.34435 20.47481 67.40822 23.67565 31.93613       31.30102 
1 1 1 5  12 68  o 47.50002 16.76318 0.1791540      0.1369508     0.3470334      0.1871072     -0.1456741E-01 0.2009929     62.32434 19.54089 39.01669 17.60219 23.30765       26.29987 
1 1 1 5  12 69  o 70.79459 17.59470 0.4354588      0.1712468     0.2557197      0.2337421     0.6437144      0.2516019     54.28146 21.32437 81.98396 21.83495 -27.70250      30.52038 
1 1 1 5  12 70  o 42.43132 16.08982 0.1346550      0.1297249     0.1163038      0.1772074     0.1558452      0.1904220     43.29978 17.98973 46.34271 18.88629 -3.042934      26.08299 
1 1 1 5  12 71  o 33.90151 14.30074 0.4637004E-01  0.1145905     -0.4268810E-01 0.1551365     0.1532999      0.1699913     32.71994 15.03012 44.87424 18.00242 -12.15430      23.45190 
1 1 1 5  12 72  o 29.89871 12.96443 0.1764958E-01  0.9900352E-01 0.9170818E-01  0.1356065     -0.6688099E-01 0.1448770     38.36996 15.82158 30.28591 14.12348 8.084051       21.20837 
1 1 1 5  12 73  o 46.67093 16.02771 0.1969598      0.1247390     0.1785455      0.1761370     0.2154877      0.1766796     45.15155 18.25032 47.71925 18.59863 -2.567699      26.05731 
1 1 1 5  12 74  o 33.88774 13.96290 0.7124010E-01  0.1055187     -0.2362773E-01 0.1480475     0.1691901      0.1504332     31.59255 14.57433 43.20576 17.06447 -11.61321      22.44119 
1 1 1 5  12 75  f 25.43101 11.81715 -0.4016479E-01 0.9998731E-01 0.1343177      0.1805599     -0.1173348     0.1200797     40.24970 17.48042 24.49864 11.82195 15.75107       21.10270 
1 1 1 5  12 76  o 33.01398 14.31290 0.6691170E-01  0.1206304     -0.3387679E-01 0.1472754     0.2723719      0.2102754     29.67512 13.96682 45.84923 19.35813 -16.17411      23.87068 
1 1 1 5  12 77  o 44.71043 18.92897 0.2904177      0.2019389     0.2904177      0.2019389     0.000000       0.000000      44.71043 18.92897 ?        ?        0.000000       18.92897 
1 1 1 5  12 78  o 39.61026 18.82719 0.3053201      0.2802778     0.3053201      0.2802778     0.000000       0.000000      39.61026 18.82719 ?        ?        0.000000       18.82719 
1 1 1 5  12 79  o 27.49285 13.52900 -0.4952160E-01 0.1805446     -0.4952160E-01 0.1805446     0.000000       0.000000      27.49285 13.52900 ?        ?        0.000000       13.52900 
1 1 1 5  12 80  o 30.40005 15.09930 0.1334714      0.2443716     0.1334714      0.2443716     0.000000       0.000000      30.40005 15.09930 ?        ?        0.000000       15.09930 
1 1 1 5  12 81  o 24.62867 12.35244 -0.2921858E-01 0.1818611     -0.2921858E-01 0.1818611     0.000000       0.000000      24.62867 12.35244 ?        ?        0.000000       12.35244 
1 1 1 5  12 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 4   o 147.4756 27.68178 1.828800       0.5430020     0.000000       0.000000      1.828800       0.5430020     ?        ?        147.4756 27.68178 0.000000       27.68178 
1 1 1 5  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 11  o 169.5656 27.58648 2.427554       0.6237046     2.427554       0.6237046     0.000000       0.000000      169.5656 27.58648 ?        ?        0.000000       27.58648 
1 1 1 5  13 12  o 104.3680 28.70311 0.9607412      0.4265563     0.000000       0.000000      0.9607412      0.4265563     ?        ?        104.3680 28.70311 0.000000       28.70311 
1 1 1 5  13 13  o 47.60386 19.41304 0.9717230E-01  0.2013590     0.000000       0.000000      0.9717230E-01  0.2013590     ?        ?        47.60386 19.41304 0.000000       19.41304 
1 1 1 5  13 14  o 20.23705 9.919181 -0.1789863     0.9403298E-01 0.000000       0.000000      -0.1789863     0.9403298E-01 ?        ?        20.23705 9.919181 0.000000       9.919181 
1 1 1 5  13 15  o 45.27908 19.13183 0.5267009E-01  0.2056371     0.000000       0.000000      0.5267009E-01  0.2056371     ?        ?        45.27908 19.13183 0.000000       19.13183 
1 1 1 5  13 16  o 74.11852 25.46243 0.4519563      0.3148305     0.000000       0.000000      0.4519563      0.3148305     ?        ?        74.11852 25.46243 0.000000       25.46243 
1 1 1 5  13 17  o 35.30558 16.00650 -0.6935814E-01 0.1685830     0.000000       0.000000      -0.6935814E-01 0.1685830     ?        ?        35.30558 16.00650 0.000000       16.00650 
1 1 1 5  13 18  f 87.88146 27.49132 0.6827583      0.3705699     0.000000       0.000000      0.6827583      0.3705699     ?        ?        87.88146 27.49132 0.000000       27.49132 
1 1 1 5  13 19  o 62.48936 23.78176 0.2785467      0.2840520     0.000000       0.000000      0.2785467      0.2840520     ?        ?        62.48936 23.78176 0.000000       23.78176 
1 1 1 5  13 20  o 187.3077 28.09338 3.060622       0.7041952     0.000000       0.000000      3.060622       0.7041952     ?        ?        187.3077 28.09338 0.000000       28.09338 
1 1 1 5  13 21  o 69.93332 24.96073 0.3976467      0.3044685     0.000000       0.000000      0.3976467      0.3044685     ?        ?        69.93332 24.96073 0.000000       24.96073 
1 1 1 5  13 22  o ?        ?        -0.3144214     0.6677410E-01 0.000000       0.000000      -0.3144214     0.6677410E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  13 23  o 85.25776 21.03253 0.5980484      0.2460743     1.550518       0.3436502     -0.4042376     0.3525226     141.3555 18.01577 41.98164 20.25778 99.37390       27.10988 
1 1 1 5  13 24  o 19.70327 9.827831 -0.2718849     0.1081163     0.000000       0.000000      -0.2718849     0.1081163     ?        ?        19.70327 9.827831 0.000000       9.827831 
1 1 1 5  13 25  o 102.8189 29.61503 1.003940       0.4433280     0.000000       0.000000      1.003940       0.4433280     ?        ?        102.8189 29.61503 0.000000       29.61503 
1 1 1 5  13 26  o 65.84548 24.96113 0.3406892      0.3121544     0.000000       0.000000      0.3406892      0.3121544     ?        ?        65.84548 24.96113 0.000000       24.96113 
1 1 1 5  13 27  o 82.04288 27.74487 0.6211355      0.3736621     0.000000       0.000000      0.6211355      0.3736621     ?        ?        82.04288 27.74487 0.000000       27.74487 
1 1 1 5  13 28  o 74.08397 26.72894 0.4843077      0.3500734     0.000000       0.000000      0.4843077      0.3500734     ?        ?        74.08397 26.72894 0.000000       26.72894 
1 1 1 5  13 29  o 75.46903 25.93007 0.5076821      0.3265067     0.5076821      0.3265067     0.000000       0.000000      75.46903 25.93007 ?        ?        0.000000       25.93007 
1 1 1 5  13 30  o 134.5339 20.66867 1.477747       0.3716745     0.2146655      0.5134531     2.868148       0.5387102     65.62068 28.95949 187.1804 21.21765 -121.5597      35.90042 
1 1 1 5  13 31  o 121.1725 20.78145 1.206978       0.3351935     -0.2656743E-01 0.4709828     2.473029       0.4771479     57.16084 26.23176 174.8900 20.12529 -117.7291      33.06255 
1 1 1 5  13 32  o 174.7070 15.13707 2.317523       0.3615571     1.677986       0.4401343     3.644660       0.6340310     139.9682 23.61317 208.8875 22.32747 -68.91934      32.49766 
1 1 1 5  13 33  o 191.7949 14.99515 2.789323       0.3939638     1.837811       0.4751949     4.881052       0.7045590     145.2604 24.56715 243.7326 21.14416 -98.47215      32.41327 
1 1 1 5  13 34  o 159.5017 19.65007 2.057646       0.4236288     0.6305428      0.5902027     3.574184       0.6084155     79.25780 32.87195 207.6102 21.53667 -128.3524      39.29877 
1 1 1 5  13 35  o 161.1804 13.17122 1.936335       0.2905790     1.968324       0.4087151     1.903639       0.4132032     156.1684 19.36927 152.7783 20.07265 3.390076       27.89408 
1 1 1 5  13 36  o 83.84417 15.89925 0.5508019      0.1773361     0.7157720      0.2512641     0.3870679      0.2503209     92.72519 20.19613 67.21371 22.70878 25.51147       30.39033 
1 1 1 5  13 37  o 83.43645 16.14676 0.5480506      0.1793036     0.5525510      0.2533385     0.5435334      0.2538093     79.68788 22.19885 78.95838 22.29891 0.7294998      31.46474 
1 1 1 5  13 38  o 117.6860 14.09248 1.050485       0.2244530     0.9909413      0.3155612     1.111455       0.3193210     107.8037 21.94492 115.4409 20.79721 -7.637154      30.23414 
1 1 1 5  13 39  o 75.06129 19.36753 0.4694643      0.2020766     0.1585447      0.3484167     0.6270673      0.2480602     56.90133 24.49685 85.74776 21.09536 -28.84643      32.32816 
1 1 1 5  13 40  o 40.06030 19.39682 -0.3751598     0.3301533     -0.6701795     0.4695551     -0.8670186E-01 0.4643038     43.93118 21.65675 54.50906 25.37417 -10.57788      33.35960 
1 1 1 5  13 41  o 63.01253 16.60150 0.3189266      0.1464681     0.7184042E-01  0.2100587     0.5527295      0.2043343     45.35196 19.25901 82.17000 18.45963 -36.81804      26.67709 
1 1 1 5  13 42  o ?        ?        -0.3688609     0.5714510E-01 -0.9656385E-01 0.1427476     -0.4208267     0.6236000E-01 30.40930 14.12686 ?        ?        0.000000       14.12686 
1 1 1 5  13 43  o 49.16518 17.03160 0.1817406      0.1410024     0.3198312      0.1744651     -0.7833617E-01 0.2394293     62.34292 18.74553 41.00601 18.77571 21.33691       26.53153 
1 1 1 5  13 44  o 26.65408 11.76314 -0.1559687E-01 0.8472059E-01 0.1142498      0.1027200     -0.2918376     0.1498247     40.68347 14.50059 24.80372 12.22861 15.87975       18.96855 
1 1 1 5  13 45  o 32.09679 13.97170 -0.1219918E-02 0.1158777     0.1708009      0.1461939     -0.2919470     0.1900560     48.35792 17.29235 29.52554 14.39165 18.83238       22.49766 
1 1 1 5  13 46  o 38.90641 15.88182 0.6551748E-01  0.1349344     0.2619582      0.1700996     -0.2679218     0.2216133     57.10019 18.70478 33.42712 16.11263 23.67307       24.68776 
1 1 1 5  13 47  o 58.15207 18.50299 0.2735732      0.1672162     0.3953890      0.2084381     0.5361313E-01  0.2800897     68.33573 20.47647 49.15849 21.55137 19.17725       29.72789 
1 1 1 5  13 48  o 46.87472 17.27457 0.1537016      0.1473394     0.3867741      0.1824903     -0.2827157     0.2497154     68.35164 18.76437 35.65702 17.16630 32.69461       25.43194 
1 1 1 5  13 49  o 40.00018 16.03443 0.8074324E-01  0.1347403     0.1815213      0.1648606     -0.1220062     0.2338373     49.93992 18.29263 38.93530 18.08539 11.00463       25.72356 
1 1 1 5  13 50  o 52.97160 18.09664 0.2193314      0.1589838     0.3854244      0.1918362     -0.1449244     0.2840914     67.74704 19.47184 42.22963 19.72149 25.51741       27.71444 
1 1 1 5  13 51  o 58.97231 18.75809 0.2856265      0.1718691     0.4554571      0.2119363     -0.4059387E-01 0.2937332     72.98357 20.29440 46.16037 21.00500 26.82319       29.20740 
1 1 1 5  13 52  f 111.6032 14.63488 0.9604889      0.2200939     1.117235       0.3166186     0.8139234      0.3061640     114.9067 20.71721 95.00179 23.47498 19.90488       31.30938 
1 1 1 5  13 53  o 88.99245 15.95458 0.6290717      0.1888522     0.8868895      0.2710598     0.3858676      0.2632655     102.6065 19.84939 65.77421 23.23869 36.83225       30.56198 
1 1 1 5  13 54  o 77.80943 16.43907 0.4904273      0.1710898     0.6676645      0.2444566     0.3202568      0.2395337     87.68462 20.54885 60.94174 22.09098 26.74287       30.17063 
1 1 1 5  13 55  o 45.42965 16.02986 0.1554517      0.1252258     0.5537802E-01  0.1735414     0.2641660      0.1808784     40.88661 17.43720 56.19501 19.30018 -15.30840      26.01063 
1 1 1 5  13 56  o 47.60477 16.27782 0.1788558      0.1286332     0.2035047E-01  0.1761451     0.3599745      0.1882913     38.91519 17.07496 63.95399 19.52918 -25.03880      25.94115 
1 1 1 5  13 57  o 54.18548 16.68103 0.2458883      0.1370539     0.2753146      0.1906419     0.2144123      0.1971698     56.24192 19.78559 51.71693 19.78227 4.524986       27.97870 
1 1 1 5  13 58  o 51.22104 16.77364 0.2206892      0.1367933     0.1952200      0.1896906     0.2482854      0.1974527     49.66568 19.29518 53.59668 19.94949 -3.931000      27.75402 
1 1 1 5  13 59  o 55.15939 17.03168 0.2646427      0.1427550     0.2226940      0.1963507     0.3116794      0.2079176     51.20951 19.70457 57.67559 20.62242 -6.466084      28.52287 
1 1 1 5  13 60  o 92.05645 16.06932 0.7167833      0.1968316     0.7115057      0.2740591     0.7224060      0.2828739     83.00529 23.07671 82.88979 23.58725 0.1154938      32.99837 
1 1 1 5  13 61  o 102.9044 15.86021 0.9026736      0.2181214     0.7866146      0.3016810     1.029802       0.3157396     83.67722 24.52532 99.15218 23.43260 -15.47496      33.92017 
1 1 1 5  13 62  o 66.28583 17.26671 0.4044748      0.1596168     0.3988343      0.2214734     0.4105710      0.2302465     60.95114 21.33223 61.33206 21.72577 -0.3809242     30.44787 
1 1 1 5  13 63  o 62.76173 17.05682 0.3707103      0.1516832     0.4951617      0.2115119     0.2389375      0.2176446     68.01979 20.68232 49.14766 20.12866 18.87213       28.86038 
1 1 1 5  13 64  o 44.18502 16.06084 0.1793500      0.1267372     0.8350354E-01  0.1753944     0.2840728      0.1833363     38.64969 16.99655 51.54774 19.21597 -12.89805      25.65417 
1 1 1 5  13 65  o 23.09747 10.77404 -0.4641270E-01 0.8439588E-01 -0.4031550E-01 0.1193724     -0.5250610E-01 0.1193352     27.68562 12.88049 27.11580 12.70150 0.5698185      18.08964 
1 1 1 5  13 66  o 15.06671 7.569191 -0.1833838     0.6971297E-01 -0.1114116     0.1235229     -0.2170226     0.8444735E-01 24.82545 11.98235 16.53629 8.310644 8.289154       14.58230 
1 1 1 5  13 67  o 36.40531 16.17893 0.1097153      0.1630086     0.3553560      0.2390409     -0.1038071     0.2228660     47.55943 20.37848 31.58949 15.43825 15.96994       25.56603 
1 1 1 5  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 4   o 54.73365 22.17587 0.1904872      0.2607229     0.000000       0.000000      0.1904872      0.2607229     ?        ?        54.73365 22.17587 0.000000       22.17587 
1 1 1 5  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 11  o 34.26701 15.64279 -0.6833018E-01 0.1645568     -0.6833018E-01 0.1645568     0.000000       0.000000      34.26701 15.64279 ?        ?        0.000000       15.64279 
1 1 1 5  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 13  o 16.06581 8.006641 -0.1777787     0.7111350E-01 0.000000       0.000000      -0.1777787     0.7111350E-01 ?        ?        16.06581 8.006641 0.000000       8.006641 
1 1 1 5  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 20  o 63.51178 24.27839 0.3296812      0.2968619     0.3296812      0.2968619     0.000000       0.000000      63.51178 24.27839 ?        ?        0.000000       24.27839 
1 1 1 5  14 21  o 24.70716 11.98642 -0.1931956     0.1276710     -0.1931956     0.1276710     0.000000       0.000000      24.70716 11.98642 ?        ?        0.000000       11.98642 
1 1 1 5  14 22  o 68.00952 24.97001 0.4039912      0.3074439     0.000000       0.000000      0.4039912      0.3074439     ?        ?        68.00952 24.97001 0.000000       24.97001 
1 1 1 5  14 23  o 35.37938 16.18308 -0.7433784E-01 0.1772544     0.000000       0.000000      -0.7433784E-01 0.1772544     ?        ?        35.37938 16.18308 0.000000       16.18308 
1 1 1 5  14 24  o 14.24196 7.227160 -0.2657156     0.7364795E-01 0.000000       0.000000      -0.2657156     0.7364795E-01 ?        ?        14.24196 7.227160 0.000000       7.227160 
1 1 1 5  14 25  o ?        ?        -0.4074880     0.6439371E-01 0.000000       0.000000      -0.4074880     0.6439371E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  14 26  f 71.88329 20.74336 0.4397978      0.2173171     1.077528       0.2987127     -0.2772519     0.3167451     114.7402 19.55503 41.30445 19.73855 73.43571       27.78506 
1 1 1 5  14 27  o 59.06429 19.97688 0.2830448      0.1937177     0.4712036      0.2636725     0.6236695E-01  0.2855499     72.98356 23.23593 49.88622 21.81815 23.09734       31.87382 
1 1 1 5  14 28  o 64.18808 20.56384 0.3455063      0.2062692     0.7195783      0.2847442     -0.6754099E-01 0.2992107     90.59686 22.78397 45.92771 21.01454 44.66915       30.99549 
1 1 1 5  14 29  o 72.46841 21.23987 0.4514260      0.2262684     1.029171       0.3133171     -0.1783153     0.3271123     110.3848 21.32785 44.51603 20.90844 65.86873       29.86704 
1 1 1 5  14 30  o 61.56152 18.21836 0.3099543      0.1657641     0.5760417      0.2007846     -0.2596206     0.2937607     84.37542 17.79377 39.92339 19.05920 44.45203       26.07435 
1 1 1 5  14 31  o 37.72990 15.31764 0.6332952E-01  0.1246655     0.1884064      0.1504227     -0.2110163     0.2227789     50.02702 17.57651 35.08387 16.70691 14.94315       24.24984 
1 1 1 5  14 32  o 27.44145 12.59735 -0.6185559E-01 0.1087423     -0.2511680E-01 0.1347774     -0.1303775     0.1840641     32.92904 14.66803 33.79472 15.81232 -0.8656883     21.56805 
1 1 1 5  14 33  o 32.18582 13.75756 0.1439479E-01  0.1084691     0.7039603E-01  0.1512057     -0.4497682E-01 0.1556893     40.56969 16.71515 34.28109 15.47642 6.288601       22.77972 
1 1 1 5  14 34  o 30.81768 13.21333 0.9975289E-02  0.1006121     -0.2464468E-01 0.1461623     0.4115241E-01  0.1387043     34.21540 15.25550 37.38637 15.75021 -3.170967      21.92714 
1 1 1 5  14 35  o 45.40069 16.16090 0.1499140      0.1275499     0.8621521E-01  0.1819155     0.2115104      0.1788883     43.86951 18.22685 52.56087 19.08495 -8.691360      26.39041 
1 1 1 5  14 36  o 66.54120 16.94292 0.3615324      0.1560875     0.4106795      0.2215703     0.3131143      0.2199211     68.50624 21.22952 60.84958 21.25955 7.656666       30.04432 
1 1 1 5  14 37  o 93.57362 15.53737 0.6906664      0.1937147     0.5549166      0.2690445     0.8367972      0.2791422     77.66266 23.26198 98.19633 21.20726 -20.53367      31.47805 
1 1 1 5  14 38  o 59.20303 19.18268 0.2954906      0.1791071     0.2694207      0.3200395     0.3073791      0.2161210     59.25427 24.35447 59.98082 21.06837 -0.7265511     32.20274 
1 1 1 5  14 39  o 46.22217 21.76453 -0.1432727     0.3583625     0.5272652      0.5150142     -0.7726795     0.4989687     70.91792 30.13681 42.97176 21.38187 27.94616       36.95148 
1 1 1 5  14 40  o 82.58365 19.21598 0.5866731      0.2150072     0.7748564      0.3754503     0.4948446      0.2622712     85.10989 27.78487 72.28614 23.19108 12.82375       36.19151 
1 1 1 5  14 41  o 68.90869 19.60580 0.4198403      0.1954525     0.5191248      0.3480212     0.3740979      0.2362245     70.54488 26.44029 63.71028 22.04617 6.834599       34.42561 
1 1 1 5  14 42  o 49.65834 17.98420 0.1977100      0.1586987     -0.6278815E-01 0.2863902     0.3131464      0.1906458     43.31699 20.08376 59.41121 19.81877 -16.09423      28.21597 
1 1 1 5  14 43  o 34.42374 15.16507 0.5774901E-02  0.1401941     -0.2699013     0.2249964     0.1807323      0.1792429     32.60644 15.84017 48.50687 18.78101 -15.90043      24.56903 
1 1 1 5  14 44  o 38.80272 16.04056 0.7701512E-01  0.1398745     -0.2527950     0.2626988     0.2075156      0.1652464     35.90660 17.36542 49.96940 18.31242 -14.06280      25.23693 
1 1 1 5  14 45  o 52.87410 18.23974 0.2460053      0.1616341     0.2839883      0.3044862     0.2311024      0.1907253     55.87436 23.42658 51.65715 19.52828 4.217216       30.49850 
1 1 1 5  14 46  o 23.12133 10.78201 -0.6054484E-01 0.8442272E-01 -0.5204824     0.1653378     0.1016600      0.9818718E-01 21.56171 10.92955 37.69151 14.06024 -16.12980      17.80858 
1 1 1 5  14 47  o ?        ?        -0.6534608     0.4898576E-01 -0.3563094     0.7513933E-01 -0.8731087     0.6460141E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  14 48  o 49.40246 17.66948 0.2208761      0.1526475     0.6164481      0.1882378     -0.5388650     0.2608716     83.31024 16.94029 29.42873 14.76466 53.88151       22.47151 
1 1 1 5  14 49  o 32.72427 14.22645 0.2951300E-01  0.1198341     0.8894743E-01  0.1473277     -0.8668326E-01 0.2059973     38.65981 16.25667 34.70433 16.38986 3.955482       23.08477 
1 1 1 5  14 50  o 41.65184 16.40977 0.1416299      0.1387887     0.1726900      0.1709880     0.8164879E-01  0.2376137     44.59389 17.99678 41.98449 19.02164 2.609402       26.18600 
1 1 1 5  14 51  o 13.43784 6.776410 -0.1765215     0.5876912E-01 -0.1607896     0.7388575E-01 -0.2036172     0.9696630E-01 16.66003 8.279549 19.02469 9.459706 -2.364656      12.57128 
1 1 1 5  14 52  o 43.27148 16.81369 0.1774596      0.1440548     0.2086150      0.1764875     0.1152699      0.2493486     45.38418 18.29507 41.80426 19.14837 3.579926       26.48338 
1 1 1 5  14 53  o 40.29935 16.39957 0.1491989      0.1433155     0.2408156      0.1752686     -0.3565251E-01 0.2489593     46.53712 18.40689 36.16148 17.33903 10.37565       25.28746 
1 1 1 5  14 54  o 29.01173 13.48444 -0.1987388E-01 0.1303249     0.1088910      0.1911492     -0.1317220     0.1781510     37.99630 17.15159 28.86950 14.04098 9.126806       22.16588 
1 1 1 5  14 55  o 33.93938 15.99652 0.2826531E-01  0.1944494     0.000000       0.000000      0.2826531E-01  0.1944494     ?        ?        33.93938 15.99652 0.000000       15.99652 
1 1 1 5  14 56  o 33.49567 15.91610 0.4666274E-01  0.2000137     0.000000       0.000000      0.4666274E-01  0.2000137     ?        ?        33.49567 15.91610 0.000000       15.91610 
1 1 1 5  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 11  o 43.63653 19.02783 0.5743001E-01  0.2157411     0.5743001E-01  0.2157411     0.000000       0.000000      43.63653 19.02783 ?        ?        0.000000       19.02783 
1 1 1 5  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 13  o 38.89843 17.15598 0.1748939E-01  0.1799265     0.000000       0.000000      0.1748939E-01  0.1799265     ?        ?        38.89843 17.15598 0.000000       17.15598 
1 1 1 5  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 21  o 50.85058 21.26637 0.1997948      0.2499670     0.1997948      0.2499670     0.000000       0.000000      50.85058 21.26637 ?        ?        0.000000       21.26637 
1 1 1 5  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 23  f 57.08429 23.09060 0.3246751      0.2821800     0.000000       0.000000      0.3246751      0.2821800     ?        ?        57.08429 23.09060 0.000000       23.09060 
1 1 1 5  15 24  o 30.95233 14.64654 -0.1157284     0.1659673     0.000000       0.000000      -0.1157284     0.1659673     ?        ?        30.95233 14.64654 0.000000       14.64654 
1 1 1 5  15 25  o 23.60694 11.55249 -0.1966104     0.1260465     0.000000       0.000000      -0.1966104     0.1260465     ?        ?        23.60694 11.55249 0.000000       11.55249 
1 1 1 5  15 26  o 48.66942 21.15846 0.1805383      0.2650687     0.000000       0.000000      0.1805383      0.2650687     ?        ?        48.66942 21.15846 0.000000       21.15846 
1 1 1 5  15 27  f 34.85245 16.26800 -0.6245792E-01 0.1929164     0.000000       0.000000      -0.6245792E-01 0.1929164     ?        ?        34.85245 16.26800 0.000000       16.26800 
1 1 1 5  15 28  o ?        ?        -0.4560213     0.6669019E-01 0.000000       0.000000      -0.4560213     0.6669019E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  15 29  o 38.77715 16.56757 0.8403187E-01  0.1571780     0.1830465      0.2123871     -0.3585754E-01 0.2337055     46.47199 19.52907 38.05261 17.80866 8.419380       26.42977 
1 1 1 5  15 30  o 27.47516 13.25938 -0.1520960     0.1511282     0.000000       0.000000      -0.1520960     0.1511282     ?        ?        27.47516 13.25938 0.000000       13.25938 
1 1 1 5  15 31  o 29.54518 13.55967 -0.2905346E-01 0.1258820     0.9726193E-02  0.1633593     -0.8574303E-01 0.1975120     34.66595 15.73204 33.47887 15.88135 1.187084       22.35429 
1 1 1 5  15 32  o 38.02294 17.56516 0.2189724E-01  0.2161521     0.000000       0.000000      0.2189724E-01  0.2161521     ?        ?        38.02294 17.56516 0.000000       17.56516 
1 1 1 5  15 33  o 35.92109 15.87510 0.5851360E-01  0.1548330     0.7090082E-01  0.2240563     0.4719124E-01  0.2142095     39.68075 18.16672 38.38203 17.64224 1.298725       25.32347 
1 1 1 5  15 34  o 16.44264 8.028118 -0.9541503E-01 0.5984861E-01 -0.3625124     0.1201123     -0.7199662E-02 0.6902789E-01 18.42491 9.336946 23.38664 10.45144 -4.961731      14.01468 
1 1 1 5  15 35  o ?        ?        -0.2434294     0.5978469E-01 0.000000       0.000000      -0.2434294     0.5978469E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  15 36  o 32.05727 15.16389 -0.3376887E-01 0.1776084     0.000000       0.000000      -0.3376887E-01 0.1776084     ?        ?        32.05727 15.16389 0.000000       15.16389 
1 1 1 5  15 37  o 46.30137 21.04125 0.3461522      0.2935075     0.000000       0.000000      0.3461522      0.2935075     ?        ?        46.30137 21.04125 0.000000       21.04125 
1 1 1 5  15 38  o ?        ?        -0.3362909     0.6110074E-01 0.000000       0.000000      -0.3362909     0.6110074E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  15 39  o 30.54173 14.66549 -0.3093400E-01 0.1795272     0.000000       0.000000      -0.3093400E-01 0.1795272     ?        ?        30.54173 14.66549 0.000000       14.66549 
1 1 1 5  15 40  o 27.49952 13.37701 -0.7955205E-01 0.1618878     0.000000       0.000000      -0.7955205E-01 0.1618878     ?        ?        27.49952 13.37701 0.000000       13.37701 
1 1 1 5  15 41  o 34.01236 16.38546 0.1031482      0.2284172     0.000000       0.000000      0.1031482      0.2284172     ?        ?        34.01236 16.38546 0.000000       16.38546 
1 1 1 5  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 3   o 32.21568 15.54528 0.5841084E-01  0.2075837     0.000000       0.000000      0.5841084E-01  0.2075837     ?        ?        32.21568 15.54528 0.000000       15.54528 
1 1 1 5  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 13  o ?        ?        -0.3609092     0.6074506E-01 0.000000       0.000000      -0.3609092     0.6074506E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 5  16 14  o 28.88001 14.24236 0.2178902E-01  0.2037169     0.000000       0.000000      0.2178902E-01  0.2037169     ?        ?        28.88001 14.24236 0.000000       14.24236 
1 1 1 5  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  0   o 497.5727 23.41567 17.23807       1.600678      17.23807       1.600678      0.000000       0.000000      497.5727 23.41567 497.5727 23.41567 0.000000       0.000000 
1 1 1 6  0  1   o 363.0039 15.92772 9.165738       0.7948696     9.934518       1.136189      8.428789       1.112418      376.8056 22.00898 346.3970 23.50558 -0.000000      0.000000 
1 1 1 6  0  2   o 393.0871 16.01521 10.73967       0.8660001     10.62860       1.222050      10.85170       1.227386      389.6714 22.89270 393.8153 22.74458 -0.000000      0.000000 
1 1 1 6  0  3   o 411.6906 22.93564 11.85192       1.294574      0.000000       0.000000      11.85192       1.294574      411.6906 22.93564 411.6906 22.93564 -0.000000      0.000000 
1 1 1 6  0  4   o 230.8054 15.92056 3.736415       0.5018470     4.111913       0.7258846     3.392599       0.6945870     240.6044 22.28838 217.4368 23.86670 -0.000000      0.000000 
1 1 1 6  0  5   o 120.1723 16.78144 1.055525       0.2629226     0.8059776      0.3653835     1.323491       0.3786275     95.46405 31.27039 132.8800 22.59794 0.000000       0.000000 
1 1 1 6  0  6   o 113.8904 17.08502 0.9555425      0.2508569     0.6879390      0.3571940     1.215989       0.3523853     85.73387 32.26064 127.1985 22.04932 -0.000000      0.000000 
1 1 1 6  0  7   o 93.03388 13.76431 0.6362680      0.1654485     0.5816218      0.2853242     0.6639500      0.2030752     79.78587 28.40753 93.44379 17.54900 0.000000       0.000000 
1 1 1 6  0  8   o 225.2257 12.77763 3.539917       0.3944549     3.599539       0.4846185     3.422873       0.6789990     226.5313 15.66495 218.6960 23.07242 -0.000000      0.000000 
1 1 1 6  0  9   o 129.5872 12.98625 1.195293       0.2270199     1.278740       0.3924938     1.153340       0.2782957     129.4940 24.50911 125.8698 16.86108 0.000000       0.000000 
1 1 1 6  0  10  o 400.3677 13.15930 11.11653       0.7257138     10.63920       0.8841444     12.10220       1.270502      391.1441 16.43598 416.1677 22.25437 -0.000000      0.000000 
1 1 1 6  0  11  o 966.6154 14.00940 64.64155       1.868984      61.18139       2.552690      68.63961       2.743945      939.4104 19.69863 995.0346 19.98917 -0.000000      0.000000 
1 1 1 6  0  12  o 691.2346 15.03442 33.09024       1.433462      32.64739       1.750100      33.99295       2.498682      686.0393 18.50508 698.5016 25.98795 -0.000000      0.000000 
1 1 1 6  0  13  o 1168.787 15.25764 94.52789       2.461467      93.38325       3.440984      95.72741       3.522529      1160.395 21.49191 1174.825 21.73094 -0.000000      0.000000 
1 1 1 6  0  14  o 611.0959 12.30269 25.84375       1.037171      23.54075       1.419788      28.47906       1.518772      582.4258 17.69101 640.8449 17.19131 -0.000000      0.000000 
1 1 1 6  0  15  o 650.9443 12.33008 29.32069       1.107379      29.44881       1.568800      29.19346       1.563354      651.6305 17.46361 648.7906 17.47946 -0.000000      0.000000 
1 1 1 6  0  16  o 363.6570 13.04081 9.177895       0.6529290     8.955472       1.128757      9.289742       0.8004345     357.1917 23.10734 365.4128 15.93260 0.000000       0.000000 
1 1 1 6  0  17  o 438.1087 16.29832 13.33511       0.9828713     13.24027       1.384965      13.43135       1.395070      435.1376 23.20084 438.2927 23.19967 -0.000000      0.000000 
1 1 1 6  0  18  o 427.1430 13.23559 12.65121       0.7789496     12.83224       1.350128      12.56088       0.9536800     428.3542 22.97726 425.1348 16.30009 -0.000000      0.000000 
1 1 1 6  0  19  o 563.5736 11.99783 21.98527       0.9327102     21.82018       1.314127      22.15285       1.324031      560.7175 17.00829 564.9875 17.00642 -0.000000      0.000000 
1 1 1 6  0  20  o 531.4566 11.84320 19.55338       0.8681358     20.78140       1.247286      18.39948       1.209065      547.2333 16.54072 514.7387 17.05322 0.000000       0.000000 
1 1 1 6  0  21  o 610.5251 12.13047 25.79911       1.021720      26.20562       1.452474      25.40094       1.437504      614.5594 17.14635 605.0118 17.23874 0.000000       0.000000 
1 1 1 6  0  22  o 547.8413 11.87948 20.77767       0.8976956     20.93619       1.272449      20.62059       1.266638      549.1860 16.81533 545.0101 16.86758 0.000000       0.000000 
1 1 1 6  0  23  o 771.1609 14.92349 41.19218       1.587765      40.21924       2.715641      41.69753       1.957140      759.4665 25.96438 775.2480 18.30587 0.000000       0.000000 
1 1 1 6  0  24  o 61.78665 20.23038 0.3370142      0.1529751     0.2626803      0.2149103     0.4133590      0.2177976     50.71038 25.26704 66.29740 25.26674 -0.000000      0.000000 
1 1 1 6  0  25  o 383.3662 13.20467 10.20127       0.6971236     9.452529       0.8445256     11.80254       1.235032      368.3619 16.68141 410.7097 21.91999 0.000000       0.000000 
1 1 1 6  0  26  o 399.8468 11.40754 11.08046       0.6286705     10.93221       0.8874024     11.22984       0.8907558     396.3651 16.27627 401.7816 16.11465 -0.000000      0.000000 
1 1 1 6  0  27  o 436.6381 11.51718 13.20991       0.6933018     12.91391       0.9761830     13.51116       0.9848278     430.8980 16.46115 440.8361 16.22866 0.000000       0.000000 
1 1 1 6  0  28  o 378.1916 11.35564 9.916615       0.5917992     9.995520       0.8377563     9.838020       0.8361071     378.9000 16.07820 375.8671 16.17796 0.000000       0.000000 
1 1 1 6  0  29  o 113.3007 11.43367 0.9144571      0.1747008     0.9440380      0.2472947     0.8849860      0.2468345     113.1376 16.95128 108.9136 17.85467 0.000000       0.000000 
1 1 1 6  0  30  o 112.6628 11.44263 0.9046181      0.1738007     0.8866587      0.2456583     0.9226164      0.2459245     109.0806 17.71005 111.6661 17.15258 -0.000000      0.000000 
1 1 1 6  0  31  o 180.1430 11.13472 2.269994       0.2745466     2.229169       0.3878842     2.310982       0.3886518     177.1925 16.16245 180.5802 15.86851 -0.000000      0.000000 
1 1 1 6  0  32  o 272.3423 11.16704 5.156389       0.4183387     5.334866       0.5931329     4.979721       0.5901192     276.1360 15.67120 266.5766 16.16793 -0.000000      0.000000 
1 1 1 6  0  33  o 217.2251 11.12962 3.290033       0.3318322     3.334239       0.4694383     3.245885       0.4691251     217.6131 15.81463 214.6045 16.03701 -0.000000      0.000000 
1 1 1 6  0  34  o 139.0784 11.28930 1.364587       0.2135163     1.423159       0.3025235     1.306452       0.3013948     140.5665 16.13755 134.1156 17.02209 0.000000       0.000000 
1 1 1 6  0  35  o 150.7748 11.24696 1.599263       0.2311588     1.503957       0.3261316     1.695481       0.3276897     144.3116 16.98309 153.9804 15.79265 -0.000000      0.000000 
1 1 1 6  0  36  o 120.7287 13.43093 1.046611       0.2168114     1.111952       0.3769265     1.014302       0.2650484     118.4831 26.36584 117.1462 17.54557 0.000000       0.000000 
1 1 1 6  0  37  o 204.3757 16.00137 2.952026       0.4452025     2.826653       0.6269604     3.079542       0.6322964     196.9722 24.00295 206.3946 22.90784 -0.000000      0.000000 
1 1 1 6  0  38  o 125.3973 13.38881 1.126548       0.2251694     1.153687       0.2764659     1.073076       0.3880725     125.6716 16.76792 114.8648 28.25680 0.000000       0.000000 
1 1 1 6  0  39  o 77.86271 12.93665 0.4531724      0.1275429     0.5405624      0.1809089     0.3668106      0.1798416     83.01089 18.00309 63.17587 22.57912 0.000000       0.000000 
1 1 1 6  0  40  o 195.6180 11.21385 2.676569       0.3006244     2.508049       0.4238771     2.847125       0.4264286     187.7573 16.65072 200.6480 15.60847 -0.000000      0.000000 
1 1 1 6  0  41  o 314.1613 11.30602 6.865714       0.4890155     6.924802       0.6920565     6.806791       0.6910891     314.3275 16.04021 311.5812 16.16221 -0.000000      0.000000 
1 1 1 6  0  42  o 344.9725 11.39431 8.276143       0.5414219     8.348522       0.7666728     8.204135       0.7647034     345.2266 16.16376 342.1767 16.26851 0.000000       0.000000 
1 1 1 6  0  43  o 401.5162 13.32546 11.23320       0.7369502     11.18025       0.9019138     11.33956       1.278314      399.6230 16.40755 399.6739 23.34525 -0.000000      0.000000 
1 1 1 6  0  44  o 333.8774 13.17965 7.779238       0.6054652     7.678753       1.045797      7.829901       0.7425718     327.9621 23.36577 334.0674 16.18440 0.000000       0.000000 
1 1 1 6  0  45  o 132.3322 13.48910 1.254105       0.2406130     1.144651       0.2941621     1.475387       0.4182582     124.2402 18.31489 139.2964 23.84240 0.000000       0.000000 
1 1 1 6  0  46  o 245.7912 11.28685 4.218174       0.3812293     4.034881       0.5377041     4.403438       0.5405868     238.8092 16.48669 249.8516 15.81439 0.000000       0.000000 
1 1 1 6  0  47  o 276.6440 11.31959 5.338238       0.4307590     5.199760       0.6075915     5.478178       0.6107917     271.4993 16.34270 278.8739 15.98169 -0.000000      0.000000 
1 1 1 6  0  48  o 197.3569 11.33140 2.730293       0.3064684     2.909132       0.4343542     2.552996       0.4324753     202.4089 15.76069 188.9633 16.88477 -0.000000      0.000000 
1 1 1 6  0  49  o 89.92439 12.61099 0.5938535      0.1477586     0.5590611      0.2096554     0.6281897      0.2082759     82.27005 21.35633 89.27971 19.25700 0.000000       0.000000 
1 1 1 6  0  50  o 62.21233 15.14961 0.3123980      0.1127609     0.4099451      0.1613105     0.2191839      0.1576872     69.86475 19.33293 46.09671 21.83150 0.000000       0.000000 
1 1 1 6  0  51  o 146.3159 11.55430 1.514426       0.2300904     1.512075       0.3247197     1.516796       0.3260784     144.2233 16.91415 144.4362 16.96205 -0.000000      0.000000 
1 1 1 6  0  52  o 252.9566 11.36464 4.470469       0.3951297     4.524374       0.5598863     4.416983       0.5577157     252.9671 16.18047 249.8577 16.32511 0.000000       0.000000 
1 1 1 6  0  53  o 217.9034 11.37770 3.323824       0.3402078     3.255705       0.4798430     3.392678       0.4824204     214.0187 16.46108 218.6524 16.18215 -0.000000      0.000000 
1 1 1 6  0  54  o 266.6609 11.41339 4.964281       0.4185031     5.084613       0.5936813     4.845419       0.5900410     268.4235 16.15143 261.8511 16.46816 0.000000       0.000000 
1 1 1 6  0  55  o 302.7209 11.44271 6.389682       0.4767582     6.364695       0.6732517     6.414816       0.6752285     300.5976 16.33025 301.7956 16.31206 -0.000000      0.000000 
1 1 1 6  0  56  o 271.0331 13.23182 5.145229       0.4925080     5.032007       0.6014301     5.375717       0.8581119     266.9601 16.45886 273.1789 23.13033 -0.000000      0.000000 
1 1 1 6  0  57  o 184.0133 16.58778 2.419873       0.4136022     2.438335       0.5826576     2.401121       0.5872128     181.1545 24.56699 179.4214 25.11058 -0.000000      0.000000 
1 1 1 6  0  58  o 153.8919 13.61198 1.684897       0.2840460     1.870064       0.3495827     1.325128       0.4872803     161.4438 16.04522 125.9470 32.41722 0.000000       0.000000 
1 1 1 6  0  59  o 206.0613 11.50353 2.973973       0.3249822     2.998640       0.4587341     2.949121       0.4604592     205.4132 16.41426 203.5993 16.63404 -0.000000      0.000000 
1 1 1 6  0  60  o 417.1035 11.74126 12.10451       0.6750211     12.19967       0.9547765     12.00941       0.9544714     417.1364 16.63634 413.8058 16.76686 -0.000000      0.000000 
1 1 1 6  0  61  o 117.4278 12.15921 0.9875170      0.1923166     0.9727269      0.2735424     1.001973       0.2704377     113.5600 19.05752 115.7522 18.28491 0.000000       0.000000 
1 1 1 6  0  62  o 45.85328 17.16948 0.1969091      0.1014267     0.2209020      0.1464466     0.1747908      0.1406094     46.65501 21.10977 41.16455 20.45003 0.000000       0.000000 
1 1 1 6  0  63  o 142.2586 13.76111 1.445958       0.2645066     1.332729       0.4576612     1.502750       0.3241225     128.2936 29.69231 143.8935 16.92680 0.000000       0.000000 
1 1 1 6  0  64  o 88.87767 16.04348 0.6003966      0.1778376     0.5675305      0.2173144     0.6670296      0.3094275     82.58618 22.05385 85.39017 29.21955 -0.000000      0.000000 
1 1 1 6  0  65  o 283.3945 13.38738 5.621844       0.5212077     5.369946       0.6368652     6.132746       0.9069923     275.7986 16.86767 292.4531 22.77778 0.000000       0.000000 
1 1 1 6  0  66  o 155.0026 11.81541 1.696987       0.2495077     1.917611       0.3565376     1.485243       0.3492883     163.4607 16.15859 142.1982 18.68347 0.000000       0.000000 
1 1 1 6  0  67  o 87.22760 13.84495 0.5672984      0.1541767     0.5674721      0.2203869     0.5671318      0.2157642     82.23740 22.44909 82.59927 21.89560 0.000000       0.000000 
1 1 1 6  0  68  o 230.1304 11.66122 3.707138       0.3683866     3.753403       0.5227148     3.661484       0.5192572     229.9486 16.66360 227.0305 16.77431 0.000000       0.000000 
1 1 1 6  0  69  o 245.2152 11.64534 4.206409       0.3922832     4.228407       0.5532234     4.184162       0.5563340     244.2313 16.57984 242.8583 16.77367 -0.000000      0.000000 
1 1 1 6  0  70  o 107.8497 12.89201 0.8431383      0.1847384     0.9458752      0.2590204     0.7367705      0.2635578     112.1364 18.15553 95.00980 23.18950 -0.000000      0.000000 
1 1 1 6  0  71  o 116.1375 12.71205 0.9717792      0.1976446     0.8696661      0.2766454     1.078237       0.2824689     105.3173 21.51154 120.1046 18.29044 -0.000000      0.000000 
1 1 1 6  0  72  o 120.0261 12.62638 1.035727       0.2039638     1.024257       0.2859471     1.047608       0.2910165     116.2309 19.45508 117.5917 19.54667 -0.000000      0.000000 
1 1 1 6  0  73  o 86.65277 14.60397 0.5660049      0.1598322     0.5716242      0.2225000     0.5600135      0.2297480     82.22045 22.66222 80.38222 23.79971 -0.000000      0.000000 
1 1 1 6  0  74  o 98.31817 13.76521 0.7123846      0.1763839     0.6991119      0.2457718     0.7264813      0.2532868     92.74108 22.11762 94.65343 22.31167 -0.000000      0.000000 
1 1 1 6  0  75  o 217.6743 11.84397 3.328525       0.3535852     3.356952       0.5027812     3.300710       0.4973530     216.6305 17.05120 214.7922 17.01463 0.000000       0.000000 
1 1 1 6  0  76  o 55.52726 21.06727 0.2935014      0.1516955     0.2447355      0.1821463     0.4038897      0.2740460     48.33113 23.39847 61.90927 28.83351 -0.000000      0.000000 
1 1 1 6  0  77  o 97.78943 22.44649 0.7718812      0.2639350     1.015459       0.3698654     0.5191501      0.3767506     110.0385 28.15934 69.19146 33.62626 -0.000000      0.000000 
1 1 1 6  0  78  o 47.46976 21.37340 0.2305883      0.1500578     0.3954636E-01  0.1867987     0.5781662      0.2519622     31.95144 20.11102 80.25616 25.76937 0.000000       0.000000 
1 1 1 6  0  79  o 26.79714 15.86448 0.5682988E-01  0.1014013     -0.2045457E-01 0.1531756     0.1171200      0.1352903     25.96976 17.03908 34.62343 19.21242 0.000000       0.000000 
1 1 1 6  0  80  o 87.18730 15.74908 0.5806649      0.1712328     0.6215791      0.2364699     0.5355614      0.2482813     85.91589 23.06544 76.10005 26.24117 -0.000000      0.000000 
1 1 1 6  0  81  o 24.17236 15.05648 0.2692379E-01  0.1018594     0.1407452      0.1361555     -0.1177456     0.1535011     37.06128 19.69857 21.80743 15.06904 -0.000000      0.000000 
1 1 1 6  0  82  o 100.6049 14.94657 0.7531488      0.1941510     0.8454635      0.2801100     0.6677914      0.2693480     102.7195 22.56428 87.61614 25.63358 0.000000       0.000000 
1 1 1 6  0  83  o 144.9684 15.12310 1.520200       0.2951856     1.371931       0.5123836     1.593856       0.3611375     125.6099 34.17387 146.9043 18.61766 0.000000       0.000000 
1 1 1 6  0  84  o 215.8544 17.63156 3.350524       0.5174539     2.976360       0.7288516     3.730784       0.7347649     196.8018 28.57600 224.1118 24.48637 0.000000       0.000000 
1 1 1 6  0  85  o 150.4510 15.35664 1.636786       0.3114111     1.598905       0.3833152     1.710326       0.5340804     146.3603 20.03131 145.4199 30.14586 0.000000       0.000000 
1 1 1 6  0  86  o 138.5705 13.48790 1.380389       0.2524655     1.359288       0.3591730     1.400996       0.3549449     133.8231 20.97539 136.4477 20.12365 0.000000       0.000000 
1 1 1 6  0  87  o 114.1346 14.88023 0.9583806      0.2234892     1.016560       0.3134312     0.8982066      0.3187590     113.5952 22.48235 103.9709 25.64588 -0.000000      0.000000 
1 1 1 6  0  88  o 144.3464 13.77308 1.498939       0.2687793     1.262466       0.3750014     1.748754       0.3854360     126.7521 23.90909 153.7347 18.92644 -0.000000      0.000000 
1 1 1 6  0  89  o 62.22100 22.40029 0.3638835      0.1762308     0.3676648      0.2473291     0.3599837      0.2511712     58.75506 27.39063 57.94973 27.54083 -0.000000      0.000000 
1 1 1 6  0  90  o 195.1839 12.90936 2.705287       0.3444335     2.986621       0.4867302     2.423091       0.4874759     202.8570 17.68565 180.8720 20.15919 -0.000000      0.000000 
1 1 1 6  0  91  o 164.7531 13.48246 1.946135       0.3019935     1.759232       0.4219435     2.142431       0.4324155     152.2512 21.25622 170.0894 19.02113 -0.000000      0.000000 
1 1 1 6  0  92  o 115.0325 15.50945 0.9854487      0.2337519     1.034856       0.3372819     0.9397845      0.3242530     112.1437 24.92243 105.7272 25.62601 0.000000       0.000000 
1 1 1 6  0  93  o 55.31289 22.76737 0.3099449      0.1721150     0.2516545      0.2354407     0.3768513      0.2522416     47.93965 25.76694 58.54927 27.62507 -0.000000      0.000000 
1 1 1 6  0  94  o 32.75032 19.31986 0.9470392E-01  0.1494374     0.3815605      0.2043010     -0.2353741     0.2191525     61.17603 24.74202 23.79470 16.77720 -0.000000      0.000000 
1 1 1 6  0  95  o 74.59883 21.71754 0.4923869      0.1942076     0.3141024      0.2654302     0.6977927      0.2849048     52.29187 27.58209 86.57811 27.15039 -0.000000      0.000000 
1 1 1 6  0  96  o 31.04526 19.32051 0.5924795E-01  0.1673532     0.1263229      0.1880597     -0.1960157     0.3668683     36.66547 21.65261 33.98316 23.43546 -0.000000      0.000000 
1 1 1 6  0  97  o 50.12273 25.05681 0.2867343      0.2116310     0.1516344      0.3478458     0.3661320      0.2666631     43.91516 27.55902 55.80109 28.07720 -0.000000      0.000000 
1 1 1 6  0  98  f 29.79052 18.19213 0.6671733E-01  0.1418708     0.2744656E-01  0.1881298     0.1184952      0.2160205     30.39264 19.54922 37.04989 22.54224 -0.000000      0.000000 
1 1 1 6  0  99  o 76.99306 21.08767 0.5206774      0.1938388     0.5086426      0.2805609     0.5316688      0.2681209     67.25211 29.20671 70.41624 28.32127 0.000000       0.000000 
1 1 1 6  0  100 f 26.83641 16.92648 0.3473796E-01  0.1330925     0.4311858E-01  0.1838768     0.2551571E-01  0.1928889     30.83875 19.63339 30.49005 19.68010 -0.000000      0.000000 
1 1 1 6  0  101 o 54.34458 22.94138 0.3137794      0.1738403     0.3334440      0.2381852     0.2913637      0.2542998     53.09039 26.57532 49.35393 26.69861 -0.000000      0.000000 
1 1 1 6  0  102 o 62.94829 23.13497 0.3947487      0.1859143     0.2973624      0.2557774     0.5038314      0.2707020     49.75364 26.82008 67.10467 28.65520 -0.000000      0.000000 
1 1 1 6  0  103 o 45.40262 23.52087 0.2379052      0.1904172     0.2202522      0.3158947     0.2479802      0.2386474     45.52266 27.48136 46.06720 25.53329 0.000000       0.000000 
1 1 1 6  0  104 o 71.25930 28.92307 0.5534166      0.2788935     0.7872984E-01  0.3960089     1.020537       0.3928401     42.24205 27.60315 101.3067 31.95387 -0.000000      0.000000 
1 1 1 6  0  105 o 148.0677 14.93397 1.634851       0.2982109     1.381065       0.4198519     1.893240       0.4236414     125.3558 27.73931 154.7142 20.90497 -0.000000      0.000000 
1 1 1 6  0  106 f 92.75602 21.01601 0.7262295      0.2347193     0.2681391      0.3273654     1.210870       0.3367185     48.06129 28.48077 121.1516 22.37428 -0.000000      0.000000 
1 1 1 6  0  107 o 208.4839 13.58690 3.179861       0.3873281     3.011830       0.5501233     3.345041       0.5454358     195.4517 20.99599 208.0576 19.37148 0.000000       0.000000 
1 1 1 6  0  108 o 102.0975 18.98549 0.8496432      0.2404756     0.5475557      0.3340887     1.174431       0.3464138     65.27190 31.67491 116.4233 24.47348 -0.000000      0.000000 
1 1 1 6  0  109 o 186.7063 13.79637 2.590174       0.3512177     2.689644       0.4935987     2.488167       0.4998539     183.3951 20.10694 174.4359 21.65027 -0.000000      0.000000 
1 1 1 6  0  110 o 101.1882 18.29760 0.8446184      0.2308443     1.198311       0.3322266     0.5144472      0.3209896     117.0224 23.12702 60.85570 30.76308 0.000000       0.000000 
1 1 1 6  0  111 o 73.01444 22.44402 0.5203198      0.1978876     0.1772345      0.2792542     0.8663745      0.2804602     39.42814 24.72230 95.53456 24.59795 0.000000       0.000000 
1 1 1 6  0  112 o 43.12572 22.00147 0.2385200      0.1650586     0.2702888      0.2364428     0.2083213      0.2305258     43.56240 24.91478 39.52636 23.66850 0.000000       0.000000 
1 1 1 6  0  113 o 24.92587 16.32955 0.2192877E-01  0.1399075     0.2200186      0.2019976     -0.1607201     0.1939651     39.26194 22.77718 22.03415 15.58406 0.000000       0.000000 
1 1 1 6  0  114 o 56.92673 26.07725 0.4658607      0.2237705     0.4489532      0.2666633     0.5061063      0.4114180     50.59881 27.35011 46.01675 29.32445 -0.000000      0.000000 
1 1 1 6  0  115 o 15.47849 11.31466 -0.2899783     0.1493016     -0.2145225     0.2369498     -0.3396614     0.1922712     22.07545 15.87974 17.62809 12.88095 0.000000       0.000000 
1 1 1 6  0  116 o 43.54125 26.22598 0.5110435      0.2863990     0.4505658      0.3905230     0.5814232      0.4212823     35.96322 24.64004 38.16961 26.00134 -0.000000      0.000000 
1 1 1 6  0  117 o 17.24515 12.50874 -0.1736604     0.1627640     -0.4195629     0.2541595     -0.2698790E-02 0.2119211     18.14932 13.40075 22.71772 16.10963 0.000000       0.000000 
1 1 1 6  0  118 o 26.62751 18.60707 0.2843185      0.2520061     0.3495416      0.3445455     0.2092861      0.3695474     25.87635 18.69124 24.02741 17.58902 -0.000000      0.000000 
1 1 1 6  0  119 o 15.99715 11.74609 -0.1182272     0.1739820     -0.4561131     0.2588181     0.1603278      0.2349985     15.29595 11.41773 20.52059 14.90314 0.000000       0.000000 
1 1 1 6  0  120 o 15.65109 11.58867 0.3195561E-02  0.2037638     -0.1325116     0.2797280     0.1566073      0.2974156     15.24165 11.39400 16.74598 12.48803 -0.000000      0.000000 
1 1 1 6  0  121 o 12.47182 9.310444 -0.1925493     0.2159412     0.000000       0.000000      -0.1925493     0.2159412     12.47182 9.310444 12.47182 9.310444 0.000000       0.000000 
1 1 1 6  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  0   o 391.1903 23.22894 10.71617       1.244616      10.71617       1.244616      0.000000       0.000000      391.1903 23.22894 391.1903 23.22894 0.000000       0.000000 
1 1 1 6  1  1   o 495.7534 23.71092 17.10264       1.623126      17.10264       1.623126      0.000000       0.000000      495.7534 23.71092 ?        ?        0.000000       23.71092 
1 1 1 6  1  2   o 194.9981 15.87481 2.651852       0.4237314     2.651852       0.4237314     0.000000       0.000000      194.9981 15.87481 ?        ?        0.000000       15.87481 
1 1 1 6  1  3   o 160.1839 12.79879 1.786898       0.2807268     1.869443       0.3462210     1.628474       0.4796452     163.5453 15.51701 151.1962 23.75772 12.34912       28.37617 
1 1 1 6  1  4   o 201.8207 12.81658 2.830019       0.3553185     2.509701       0.4351849     3.470562       0.6154003     189.5431 16.80168 222.6563 20.23733 -33.11320      26.30296 
1 1 1 6  1  5   o 348.4433 11.42775 8.398126       0.5498332     8.093054       0.7736298     8.709511       0.7815944     341.7191 16.39555 354.5300 15.96579 -12.81085      22.88494 
1 1 1 6  1  6   o 176.2636 11.11135 2.157326       0.2690536     2.104010       0.3802028     2.210810       0.3807965     173.5158 16.05043 177.9515 15.65657 -4.435699      22.42197 
1 1 1 6  1  7   o 378.1192 10.27147 9.886200       0.5362896     10.38289       0.8560677     9.565360       0.6880307     387.0783 16.01663 371.7334 13.40412 15.34494       20.88547 
1 1 1 6  1  8   o 372.4524 10.26251 9.592196       0.5277913     10.68310       0.8523535     8.913795       0.6721569     392.6550 15.72066 358.8340 13.56560 33.82095       20.76450 
1 1 1 6  1  9   o 363.7354 10.22128 9.148479       0.5133683     10.72087       0.8336416     8.187916       0.6515723     393.3751 15.34739 343.8980 13.72129 49.47705       20.58680 
1 1 1 6  1  10  o 687.4409 10.31373 32.67892       0.9790146     36.15119       1.439283      29.68893       1.335596      722.4931 14.42694 654.6918 14.77407 67.80127       20.64969 
1 1 1 6  1  11  o 754.6576 10.51853 39.38522       1.096082      41.09471       1.577812      37.79079       1.523788      770.2257 14.83540 738.5974 14.94097 31.62830       21.05521 
1 1 1 6  1  12  o 756.4515 10.59351 39.57461       1.106519      42.40538       1.615708      37.07415       1.518519      782.3719 14.95586 731.5275 15.03320 50.84436       21.20554 
1 1 1 6  1  13  f 926.3767 11.31527 59.36712       1.447406      60.01678       1.788133      58.13256       2.464983      930.9595 13.91013 914.9041 19.51194 16.05548       23.96262 
1 1 1 6  1  14  o 649.2776 9.973458 29.15095       0.8941578     28.37812       1.088567      30.75394       1.567761      640.3494 12.31119 665.8838 17.05075 -25.53436      21.03078 
1 1 1 6  1  15  o 685.6998 10.27495 32.51740       0.9728634     35.50514       1.737916      31.15388       1.174053      715.3337 17.59472 670.8717 12.67390 44.46198       21.68414 
1 1 1 6  1  16  o 696.2381 11.04462 33.53503       1.061809      34.17241       1.688731      33.11831       1.365498      701.7718 17.42716 691.4276 14.30232 10.34418       22.54467 
1 1 1 6  1  17  o 408.7397 8.724766 11.54941       0.4924233     11.79713       0.6505771     11.21713       0.7534846     412.9115 11.41048 402.4515 13.55885 10.46005       17.72121 
1 1 1 6  1  18  o 648.9782 8.742922 29.11676       0.7834742     29.31171       1.108477      28.92214       1.107523      650.7209 12.33656 646.3721 12.40887 4.348755       17.49773 
1 1 1 6  1  19  o 358.3321 8.001287 8.875070       0.3958982     9.095897       0.5610679     8.656095       0.5587088     362.5651 11.20705 353.6747 11.44046 8.890442       16.01506 
1 1 1 6  1  20  o 493.7017 8.871137 16.85231       0.6047583     17.69621       0.8093576     15.78556       0.9099715     505.6559 11.59171 477.3348 13.80596 28.32108       18.02699 
1 1 1 6  1  21  o 474.9362 8.803062 15.59587       0.5773072     15.44888       0.7626478     15.79313       0.8834879     472.4309 11.69089 477.4738 13.40026 -5.042908      17.78325 
1 1 1 6  1  22  o 382.2684 8.639930 10.10356       0.4560543     10.10187       0.6943815     10.10484       0.6047791     381.8707 13.16873 382.0824 11.46309 -0.2117310     17.45904 
1 1 1 6  1  23  o 530.4082 9.732982 19.46058       0.7128434     18.46536       1.217904      19.97918       0.8791697     515.6438 17.10508 537.1824 11.85258 -21.53857      20.81027 
1 1 1 6  1  24  o 459.5206 8.792004 14.60216       0.5578672     14.37218       0.7344959     14.91572       0.8576244     455.6078 11.67509 463.9363 13.38754 -8.328522      17.76328 
1 1 1 6  1  25  o 354.5181 8.554068 8.691015       0.4187444     8.612614       0.5525017     8.796835       0.6418880     352.7043 11.34449 356.2971 13.04695 -3.592834      17.28931 
1 1 1 6  1  26  o 249.4785 7.846289 4.303045       0.2702933     4.461889       0.3825636     4.144716       0.3819421     253.8772 10.91294 244.6635 11.30552 9.213699       15.71328 
1 1 1 6  1  27  o 340.0476 7.973037 7.995439       0.3743704     7.983355       0.5289065     8.007571       0.5299746     339.5344 11.28125 340.0485 11.28694 -0.5140686     15.95812 
1 1 1 6  1  28  o 137.3821 7.878428 1.309372       0.1488298     1.259329       0.2101290     1.359747       0.2108268     134.3549 11.43524 139.6950 11.01913 -5.340118      15.88036 
1 1 1 6  1  29  o 174.0190 7.800261 2.094127       0.1874320     2.048813       0.2647990     2.139626       0.2653395     171.6132 11.23652 175.4165 11.01036 -3.803299      15.73174 
1 1 1 6  1  30  o 184.4373 7.795436 2.352655       0.1985304     2.295517       0.2805175     2.409994       0.2810120     181.6703 11.23765 186.1920 10.97872 -4.521683      15.71042 
1 1 1 6  1  31  o 66.65573 8.427536 0.3122876      0.7583368E-01 0.3087207      0.1071926     0.3158613      0.1072975     65.66837 12.27270 66.46264 12.13892 -0.7942734     17.26188 
1 1 1 6  1  32  o 150.9112 7.846058 1.579774       0.1629336     1.579858       0.2304648     1.579689       0.2303809     150.5536 11.16557 150.5460 11.16205 0.7659912E-02  15.78801 
1 1 1 6  1  33  o 211.0929 7.818280 3.083073       0.2278887     3.061426       0.3224546     3.104673       0.3221121     209.8238 11.16973 211.3176 11.07767 -1.493835      15.73142 
1 1 1 6  1  34  o 338.6423 7.977578 7.936473       0.3730356     7.950019       0.5280265     7.922974       0.5270787     338.5257 11.29604 337.9496 11.29498 0.5761414      15.97426 
1 1 1 6  1  35  o 132.4008 8.460905 1.218696       0.1538757     1.223355       0.2035448     1.212480       0.2350699     132.3050 11.24825 131.4227 13.12924 0.8822479      17.28873 
1 1 1 6  1  36  o 66.15797 10.99913 0.3117635      0.9695169E-01 0.3601441      0.1528184     0.2791731      0.1254251     70.45815 16.06417 62.06881 14.83600 8.389347       21.86697 
1 1 1 6  1  37  o 209.1581 9.920261 3.033859       0.2865074     3.091853       0.4535632     2.995353       0.3695782     209.8650 15.76687 207.1001 12.98949 2.764862       20.42844 
1 1 1 6  1  38  o 257.9321 8.435809 4.608985       0.3004486     4.632552       0.3979428     4.577740       0.4581967     258.2600 11.15900 256.1342 12.99786 2.125824       17.13090 
1 1 1 6  1  39  o 336.4550 8.006591 7.841465       0.3719741     7.860278       0.5263349     7.822693       0.5257671     336.3018 11.33431 335.4939 11.34934 0.8079529      16.03977 
1 1 1 6  1  40  o 353.3167 8.038231 8.649935       0.3921594     8.633158       0.5545263     8.666719       0.5546681     352.3294 11.39818 353.0179 11.37885 -0.6885071     16.10580 
1 1 1 6  1  41  o 285.8973 7.943933 5.664789       0.3136055     5.721375       0.4438428     5.608375       0.4431683     286.7817 11.20830 283.9171 11.30418 2.864594       15.91887 
1 1 1 6  1  42  o 276.4800 8.484567 5.302383       0.3239152     5.299606       0.4286424     5.306080       0.4945690     275.9188 11.25061 275.7111 12.99076 0.2077026      17.18534 
1 1 1 6  1  43  o 253.0249 10.03878 4.451153       0.3507374     4.237437       0.5529955     4.594987       0.4536603     244.9230 16.44679 256.5198 12.80772 -11.59680      20.84550 
1 1 1 6  1  44  o 129.5680 10.24239 1.175007       0.1817530     1.056614       0.2859231     1.255287       0.2354435     121.1785 17.60267 133.4257 12.94213 -12.24722      21.84840 
1 1 1 6  1  45  o 189.0557 8.472748 2.481308       0.2211831     2.341228       0.2915240     2.671328       0.3395374     182.8457 11.60669 195.1040 12.67192 -12.25836      17.18408 
1 1 1 6  1  46  o 181.5499 7.926415 2.287282       0.1987059     2.223377       0.2804710     2.351684       0.2815575     178.1446 11.46276 183.2968 11.17775 -5.152206      16.01052 
1 1 1 6  1  47  o 347.4887 8.076201 8.382812       0.3875126     8.290225       0.5469050     8.476159       0.5491530     344.5920 11.49393 348.4620 11.41300 -3.869965      16.19775 
1 1 1 6  1  48  o 228.9409 7.956393 3.638852       0.2515230     3.526816       0.3548239     3.752010       0.3565972     224.4331 11.48804 231.8586 11.13824 -7.425476      16.00111 
1 1 1 6  1  49  o 466.1333 8.327293 15.09586       0.5359842     15.14655       0.7581995     15.04524       0.7577929     465.4491 11.79705 463.8733 11.83077 1.575836       16.70741 
1 1 1 6  1  50  o 311.7447 8.047944 6.750099       0.3464352     6.677000       0.4891701     6.823658       0.4907002     309.1036 11.46088 312.5092 11.37144 -3.405548      16.14501 
1 1 1 6  1  51  o 350.9657 8.111946 8.556070       0.3931223     8.537483       0.5556123     8.574706       0.5563063     349.5131 11.51252 350.2782 11.50172 -0.7650757     16.27353 
1 1 1 6  1  52  o 221.2917 7.990059 3.400612       0.2441480     3.347651       0.3449205     3.453793       0.3456353     218.6038 11.46676 222.0947 11.30787 -3.490906      16.10449 
1 1 1 6  1  53  o 208.3328 7.999663 3.013637       0.2301269     2.992968       0.3254007     3.034318       0.3254963     206.6998 11.44556 208.1471 11.36800 -1.447266      16.13172 
1 1 1 6  1  54  o 361.2870 8.157193 9.064199       0.4069407     9.078872       0.5753034     9.049507       0.5756988     360.5319 11.55621 359.9387 11.58321 0.5932312      16.36205 
1 1 1 6  1  55  o 351.5476 8.143661 8.581147       0.3953136     8.677129       0.5594653     8.485444       0.5586513     352.5185 11.49353 348.5641 11.60700 3.954315       16.33474 
1 1 1 6  1  56  o 297.3541 9.336488 6.149156       0.3833500     6.061077       0.5407898     6.238120       0.5434980     294.1165 13.31592 298.4224 13.18950 -4.305878      18.74238 
1 1 1 6  1  57  o 264.0395 10.19764 4.854091       0.3717977     4.772665       0.5876993     4.908425       0.4800783     259.5775 16.48191 264.7827 13.13060 -5.205139      21.07288 
1 1 1 6  1  58  o 332.7025 9.410419 7.696145       0.4323177     7.667655       0.6120883     7.724505       0.6106932     330.8985 13.39619 332.1511 13.31525 -1.252594      18.88793 
1 1 1 6  1  59  o 83.15288 8.888592 0.4857065      0.1004773     0.5261720      0.1430406     0.4462922      0.1411704     85.92709 12.41575 78.78394 13.46023 7.143150       18.31198 
1 1 1 6  1  60  o 147.8532 8.208914 1.521827       0.1669333     1.564597       0.2367858     1.479563       0.2353792     149.3245 11.57425 145.1295 11.84897 4.195053       16.56385 
1 1 1 6  1  61  o 196.0525 8.095193 2.667242       0.2191481     2.753808       0.3106034     2.581432       0.3092454     198.4005 11.38537 191.9938 11.72096 6.406708       16.34037 
1 1 1 6  1  62  f 271.7473 8.109179 5.124606       0.3042846     5.222897       0.4309946     5.026925       0.4296555     273.6586 11.40577 268.4311 11.59176 5.227509       16.26225 
1 1 1 6  1  63  o 90.45622 10.24721 0.5766950      0.1257338     0.6699324      0.1800437     0.4879366      0.1756660     96.84074 13.85949 81.88147 16.11072 14.95927       21.25185 
1 1 1 6  1  64  o 171.1766 10.44400 2.048102       0.2456782     2.123949       0.3874359     1.997093       0.3177256     172.8025 16.43516 168.2575 13.79677 4.545029       21.45845 
1 1 1 6  1  65  o 201.7242 9.425298 2.830035       0.2625373     2.874411       0.3709492     2.785499       0.3716194     202.1373 13.36559 198.9045 13.61239 3.232727       19.07711 
1 1 1 6  1  66  o 357.0376 8.251193 8.852506       0.4067885     8.983432       0.5763355     8.722531       0.5742418     358.6389 11.63805 353.3465 11.76945 5.292358       16.55186 
1 1 1 6  1  67  o 244.6541 8.165138 4.157401       0.2758379     4.366613       0.3915428     3.951257       0.3886606     250.0397 11.34050 237.7276 11.84003 12.31206       16.39492 
1 1 1 6  1  68  o 164.0440 8.313199 1.874696       0.1876920     1.866898       0.2658072     1.882451       0.2650673     162.9428 11.89612 163.6457 11.80976 -0.7028809     16.76270 
1 1 1 6  1  69  f 190.4090 8.234470 2.519789       0.2165016     2.660670       0.3071276     2.380635       0.3052401     194.7299 11.47285 183.9989 12.08114 10.73097       16.66074 
1 1 1 6  1  70  o 256.6261 8.216425 4.578463       0.2911533     4.617355       0.4121013     4.539702       0.4114053     256.8281 11.62047 254.6351 11.70075 2.192978       16.49069 
1 1 1 6  1  71  o 155.5387 8.424097 1.687961       0.1802510     1.705128       0.2557142     1.671008       0.2541199     155.4990 12.00226 153.9133 12.05337 1.585739       17.00994 
1 1 1 6  1  72  o 89.89759 9.259263 0.5692254      0.1132932     0.5651473      0.1613321     0.5731931      0.1591322     88.57465 13.62767 89.29701 13.31260 -0.7223587     19.05095 
1 1 1 6  1  73  o 121.4749 8.723646 1.033178       0.1453519     1.077256       0.2063464     0.9897667      0.2047800     123.2281 12.29087 117.9391 12.77893 5.288994       17.73038 
1 1 1 6  1  74  o 55.49077 11.32993 0.2235314      0.8387687E-01 0.1535712      0.1202645     0.2897912      0.1170408     47.46937 15.73650 62.87368 13.85487 -15.40431      20.96652 
1 1 1 6  1  75  o 34.22982 11.92764 0.7390460E-01  0.6920391E-01 0.3720337E-01  0.9998213E-01 0.1076593      0.9588461E-01 34.00431 13.74818 40.76114 14.04912 -6.756828      19.65681 
1 1 1 6  1  76  o 74.91966 11.94290 0.4038013      0.1194019     0.4576550      0.1689487     0.3500608      0.1687709     78.80039 16.07167 68.57143 17.70293 10.22897       23.91009 
1 1 1 6  1  77  o 93.35300 12.43081 0.6238006      0.1562551     0.4638528      0.2500111     0.7263272      0.2001651     78.33469 22.13446 100.1324 14.93356 -21.79775      26.70104 
1 1 1 6  1  78  o 184.6902 9.074521 2.380584       0.2314224     2.150296       0.3058875     2.688836       0.3538983     174.1665 12.80906 194.6891 13.24304 -20.52258      18.42417 
1 1 1 6  1  79  o 81.72627 10.25822 0.4746384      0.1132129     0.4958397      0.1619436     0.4543724      0.1583319     82.39905 14.77608 78.70604 15.11822 3.693008       21.13985 
1 1 1 6  1  80  o 103.7441 9.471496 0.7581967      0.1341850     0.8342273      0.1913204     0.6845875      0.1882494     107.9281 13.10671 97.23098 14.46173 10.69707       19.51736 
1 1 1 6  1  81  o 71.51408 11.24169 0.3674837      0.1073469     0.3017898      0.1529852     0.4311996      0.1506644     63.72507 17.05118 76.68126 14.76503 -12.95618      22.55546 
1 1 1 6  1  82  o 37.26189 13.08502 0.8744650E-01  0.8336250E-01 -0.7015296E-02 0.1196819     0.1764625      0.1161808     33.24312 14.33436 49.69451 15.36828 -16.45139      21.01565 
1 1 1 6  1  83  o 109.1555 11.29900 0.8460101      0.1678378     0.8352557      0.2391651     0.8564456      0.2355922     106.7359 16.78125 108.2951 16.25683 -1.559235      23.36439 
1 1 1 6  1  84  o 159.6614 11.41136 1.801662       0.2499216     2.042923       0.3918841     1.636268       0.3244687     167.7236 17.16272 150.5002 15.85179 17.22348       23.36318 
1 1 1 6  1  85  o 103.5849 11.75156 0.7648959      0.1651109     0.6987163      0.2291734     0.8363230      0.2380856     97.04169 17.75721 106.7754 16.69492 -9.733734      24.37291 
1 1 1 6  1  86  o 123.2610 9.618748 1.069872       0.1624165     1.094357       0.2294147     1.045270       0.2299696     123.4636 13.68720 120.4964 14.08753 2.967155       19.64174 
1 1 1 6  1  87  o 96.89873 10.62352 0.6672832      0.1398120     0.7820935      0.1984069     0.5540401      0.1970482     103.9185 14.19845 86.24025 17.15095 17.67824       22.26546 
1 1 1 6  1  88  o 57.29939 14.10155 0.2431681      0.1108158     0.2986310      0.1588226     0.1905516      0.1546935     63.16353 17.56991 52.61029 17.85139 10.55324       25.04743 
1 1 1 6  1  89  o 55.15822 14.32349 0.2257437      0.1100627     0.2114712      0.1573339     0.2394218      0.1540233     54.56716 17.99475 57.14063 17.69899 -2.573463      25.24015 
1 1 1 6  1  90  o 83.45688 11.69554 0.5024077      0.1310771     0.6001668      0.1851476     0.4041755      0.1855952     90.07018 15.44252 72.77864 18.44471 17.29154       24.05575 
1 1 1 6  1  91  o 107.9885 10.52603 0.8317780      0.1549613     0.8421444      0.2188358     0.8213523      0.2194625     106.8515 15.26597 105.3797 15.54942 1.471848       21.79069 
1 1 1 6  1  92  o 173.2174 9.275882 2.120491       0.2210575     2.163958       0.3122191     2.076800       0.3130276     172.9913 13.16957 169.2575 13.50603 3.733810       18.86400 
1 1 1 6  1  93  o 169.1718 9.378692 2.028682       0.2182253     1.909657       0.3084899     2.147904       0.3087445     161.5946 13.96250 172.0017 13.09800 -10.40710      19.14443 
1 1 1 6  1  94  f 51.17233 14.85218 0.1978144      0.1111204     0.1346364      0.1577732     0.2600008      0.1565301     46.91516 17.75518 58.12509 17.81582 -11.20993      25.15253 
1 1 1 6  1  95  o 34.43930 14.22880 0.3584623E-01  0.1099726     0.7378326E-01  0.1424713     -0.2007824E-01 0.1729802     40.77661 16.43769 38.03734 16.79655 2.739273       23.50153 
1 1 1 6  1  96  o 82.86282 16.74829 0.5372178      0.1850411     0.6986261      0.3027604     0.4409742      0.2337879     89.76608 23.97333 72.60665 21.67000 17.15942       32.31578 
1 1 1 6  1  97  o 54.35162 16.92882 0.2307046      0.1406896     0.2573750      0.2066232     0.2076516      0.1921001     57.72564 20.56685 53.52417 19.72480 4.201469       28.49672 
1 1 1 6  1  98  o 28.32797 12.48184 -0.1532686E-01 0.9501404E-01 -0.7598692E-01 0.1326665     0.4855236E-01  0.1361412     30.14873 13.86750 37.90691 15.76019 -7.758181      20.99265 
1 1 1 6  1  99  o 68.84704 13.99008 0.3654878      0.1284625     0.3730027      0.1808601     0.3578362      0.1824977     67.23878 18.76556 65.78461 19.01649 1.454170       26.71653 
1 1 1 6  1  100 o 81.07373 12.65937 0.4956057      0.1370877     0.4163761      0.1933337     0.5757225      0.1944133     70.58926 19.28704 84.71423 17.20717 -14.12497      25.84718 
1 1 1 6  1  101 f 82.23862 13.01214 0.5127056      0.1428447     0.5395955      0.2023106     0.4859735      0.2017164     80.97137 18.49949 76.29550 19.17075 4.675873       26.64110 
1 1 1 6  1  102 o 43.47080 15.36156 0.1352237      0.1150432     0.1223908      0.1566810     0.1502353      0.1694608     44.74688 17.49379 47.58624 18.30699 -2.839367      25.32150 
1 1 1 6  1  103 o 77.48616 16.11893 0.4768774      0.1668465     0.4926082      0.2628109     0.4662568      0.2159456     74.20776 23.14151 73.87095 20.46566 0.3368149      30.89292 
1 1 1 6  1  104 f 81.01730 15.12765 0.5124859      0.1630100     0.2752112      0.2318450     0.7444564      0.2292389     58.72260 21.66463 95.94555 17.96337 -37.22295      28.14319 
1 1 1 6  1  105 o 121.7514 10.72662 1.085843       0.1784907     0.9559413      0.2529984     1.214572       0.2518533     109.3876 17.32730 125.7085 14.79224 -16.32090      22.78257 
1 1 1 6  1  106 o 105.0573 11.66579 0.8208487      0.1663728     0.6764982      0.2365795     0.9620861      0.2340147     89.63783 19.65525 110.7802 15.74105 -21.14233      25.18153 
1 1 1 6  1  107 o 173.0898 9.735074 2.178046       0.2317296     2.047683       0.3282185     2.307612       0.3272141     162.6262 14.77750 173.9539 13.73431 -11.32774      20.17438 
1 1 1 6  1  108 o 112.5332 11.23010 0.9458480      0.1721722     0.7165642      0.2434290     1.175355       0.2435474     90.74977 19.96819 122.4234 14.70125 -31.67358      24.79628 
1 1 1 6  1  109 f 129.8631 10.42355 1.255220       0.1853378     0.9262666      0.2615249     1.587120       0.2626934     103.3030 19.03557 142.7596 13.48593 -39.45656      23.32859 
1 1 1 6  1  110 o 61.11426 14.89330 0.3118219      0.1245323     0.5202465E-01  0.1766594     0.5684428      0.1755762     39.59041 17.24218 82.11887 16.05944 -42.52846      23.56264 
1 1 1 6  1  111 o 22.74594 10.61428 -0.5797530E-01 0.8204085E-01 -0.1202743     0.1179748     0.3654970E-03  0.1141655     25.10329 12.01006 30.59425 13.57079 -5.490953      18.12202 
1 1 1 6  1  112 o 28.42741 12.38084 0.1382287E-01  0.9109128E-01 0.5716663E-01  0.1317621     -0.2585768E-01 0.1260713     35.23428 15.11440 29.89486 13.66439 5.339415       20.37550 
1 1 1 6  1  113 o 38.68108 14.35523 0.1280600      0.1020909     0.1282329E-01  0.1472541     0.2347147      0.1416648     32.91242 14.93632 48.30513 17.04903 -15.39271      22.66635 
1 1 1 6  1  114 o 24.79423 11.79702 -0.7135887E-01 0.1105900     -0.5915952E-01 0.1860769     -0.7802123E-01 0.1375112     31.46606 15.06183 27.23557 13.01261 4.230492       19.90444 
1 1 1 6  1  115 o 37.94956 16.46619 0.1684544      0.1599189     -0.1046198     0.2301126     0.4235381      0.2224034     30.61937 15.10700 49.09106 20.25444 -18.47169      25.26784 
1 1 1 6  1  116 o 31.50043 14.59585 0.9664179E-01  0.1509121     0.2400114      0.2202011     -0.3033774E-01 0.2072325     36.21354 17.05451 29.02320 14.32262 7.190336       22.27092 
1 1 1 6  1  117 f 20.68924 10.31211 -0.1221022     0.1181215     -0.1629838     0.1758921     -0.8851966E-01 0.1594184     23.15081 11.68064 23.78325 11.87422 -0.6324368     16.65636 
1 1 1 6  1  118 o 24.30592 11.99117 0.6521849E-01  0.1448854     -0.8645112E-01 0.2125698     0.1968130      0.1980027     22.73947 11.60778 26.68752 13.30966 -3.948053      17.66034 
1 1 1 6  1  119 o 22.44456 11.30390 0.1607959      0.1606888     0.1418860      0.2338854     0.1777019      0.2211460     21.48758 11.04315 21.86273 11.21082 -0.3751564     15.73638 
1 1 1 6  1  120 o 18.65260 9.569463 0.1933970      0.1632723     0.2175300      0.2380622     0.1719639      0.2243510     18.02210 9.339497 17.89067 9.264849 0.1314297      13.15536 
1 1 1 6  1  121 o 15.46371 8.044869 0.4505201      0.2618589     0.4174108      0.3786581     0.4808669      0.3625177     14.94765 7.784450 15.05448 7.839856 -0.1068354     11.04812 
1 1 1 6  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  131 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  0   o 134.8436 16.65362 1.314196       0.2973804     1.072850       0.4199030     1.557056       0.4212188     113.6312 30.95694 144.8779 22.72492 -0.000000      0.000000 
1 1 1 6  2  1   o 302.1592 13.01678 6.320016       0.5430969     6.159385       0.6616411     6.651767       0.9508529     297.6504 16.15877 308.3885 22.48431 -10.73813      27.68845 
1 1 1 6  2  2   o 286.7773 11.28339 5.689244       0.4468095     5.593987       0.5155091     5.976900       0.8958232     284.2669 13.13324 292.2594 22.36792 -7.992493      25.93850 
1 1 1 6  2  3   o 286.5540 11.22871 5.680323       0.4442981     5.403540       0.5103828     6.546344       0.9027985     279.3791 13.23013 306.0884 21.49654 -26.70932      25.24159 
1 1 1 6  2  4   f 493.9683 11.82883 16.88328       0.8068243     16.55006       0.9268678     17.92555       1.639236      488.8838 13.73012 507.3741 23.39781 -18.49036      27.12883 
1 1 1 6  2  5   o 329.4944 11.31526 7.510693       0.5148141     7.659625       0.5951133     7.067820       1.026236      332.6410 12.95645 317.7167 23.55994 14.92432       26.88755 
1 1 1 6  2  6   o 225.4815 11.15558 3.517120       0.3473291     3.452801       0.4010428     3.710147       0.6947531     222.9467 13.08455 229.8807 22.16172 -6.933945      25.73611 
1 1 1 6  2  7   o 372.1657 13.25291 9.589609       0.6810604     9.299976       0.8309618     10.18234       1.188734      366.2265 16.43211 381.8134 22.64854 -15.58694      27.98162 
1 1 1 6  2  8   o 288.5164 11.36263 5.759115       0.4526760     5.608831       0.6372383     5.912206       0.6431639     283.9492 16.32126 291.5888 16.03559 -7.639587      22.88064 
1 1 1 6  2  9   o 184.6611 11.24193 2.367864       0.2852868     2.696832       0.4049762     2.043788       0.4019537     196.7071 15.02340 170.7744 17.28371 25.93272       22.90042 
1 1 1 6  2  10  o 623.8868 12.38951 26.94176       1.067328      26.27587       1.493899      27.63607       1.525456      615.3355 17.58212 631.0754 17.50574 -15.73987      24.81092 
1 1 1 6  2  11  o 589.2322 17.32356 24.09187       1.409489      24.52449       2.008129      23.67178       1.978830      593.0038 24.52427 582.5857 24.59861 10.41815       34.73516 
1 1 1 6  2  12  o 641.2286 17.61866 28.53888       1.559997      30.73778       2.273900      26.58375       2.144150      663.7503 24.81011 617.1806 25.15967 46.56970       35.33483 
1 1 1 6  2  13  o 271.8623 16.41921 5.145162       0.6134747     7.089543       0.8854293     3.349998       0.8507763     318.6845 20.22605 216.8225 29.15561 101.8620       35.48439 
1 1 1 6  2  14  o 446.5941 13.60490 13.81513       0.8389699     13.77771       1.024159      13.89145       1.462798      445.6276 16.64399 445.7011 23.85506 -0.7345581E-01 29.08756 
1 1 1 6  2  15  o 237.7894 11.21824 3.912742       0.3683453     3.919773       0.5214331     3.905739       0.5204062     237.1906 16.01453 236.7637 16.01216 0.4269867      22.64629 
1 1 1 6  2  16  o 422.0641 10.51971 12.32399       0.6130844     9.946783       0.9390188     14.09025       0.8094110     378.4396 17.96965 451.0549 12.99576 -72.61530      22.17653 
1 1 1 6  2  17  o 485.3058 10.59704 16.29533       0.7101302     16.11168       1.122406      16.41790       0.9169966     481.7782 16.87193 486.7878 13.64238 -5.009644      21.69739 
1 1 1 6  2  18  o 602.0333 10.06345 25.07295       0.8365761     23.33625       1.159234      26.96040       1.208498      580.1993 14.46957 623.7025 14.03236 -43.50317      20.15628 
1 1 1 6  2  19  o 368.4475 10.28689 9.392479       0.5233569     10.27120       0.8402517     8.835494       0.6689672     384.7421 15.81618 357.0763 13.56769 27.66580       20.83828 
1 1 1 6  2  20  o 426.7057 10.43676 12.59912       0.6149388     11.93970       0.9683189     13.04481       0.7960740     414.6336 16.91282 433.8854 13.28741 -19.25180      21.50811 
1 1 1 6  2  21  f 117.5446 9.258599 0.9615653      0.1490581     0.9351418      0.2114507     0.9876659      0.2101552     115.3768 13.52933 118.6844 13.03843 -3.307587      18.78945 
1 1 1 6  2  22  o 262.5637 9.196844 4.768528       0.3334353     4.649085       0.4723438     4.887171       0.4707575     258.6590 13.26957 265.5764 12.83719 -6.917358      18.46280 
1 1 1 6  2  23  o 217.3430 8.493630 3.266747       0.2549042     2.978903       0.3371802     3.650680       0.3894131     207.0507 11.84279 229.2205 12.34878 -22.16978      17.10977 
1 1 1 6  2  24  o 186.5667 7.905760 2.406737       0.2036647     2.336231       0.2882064     2.477066       0.2878448     183.3096 11.44345 188.8131 11.08916 -5.503479      15.93493 
1 1 1 6  2  25  o 344.4020 8.087686 8.202651       0.3846165     8.155152       0.5436575     8.250247       0.5442027     343.1176 11.47478 345.1178 11.41972 -2.000183      16.18890 
1 1 1 6  2  26  o 295.8051 7.991081 6.051390       0.3263992     6.040153       0.4613780     6.062646       0.4618187     295.2791 11.31582 295.8293 11.30556 -0.5502014     15.99574 
1 1 1 6  2  27  o 209.3091 7.922934 3.030087       0.2289876     3.135921       0.3240412     2.924518       0.3236340     212.4664 11.08357 205.1141 11.47269 7.352325       15.95206 
1 1 1 6  2  28  o 347.5924 8.061842 8.357985       0.3869390     8.176002       0.5451292     8.542780       0.5493234     343.4394 11.49507 351.0780 11.33148 -7.638611      16.14122 
1 1 1 6  2  29  o 305.7156 8.008744 6.466008       0.3380804     6.578110       0.4778478     6.353652       0.4783884     308.0484 11.23395 302.7241 11.44447 5.324341       16.03676 
1 1 1 6  2  30  o 221.8421 7.906433 3.405035       0.2421935     3.438539       0.3419364     3.371304       0.3430932     222.6991 11.11960 220.2073 11.32176 2.491714       15.86908 
1 1 1 6  2  31  o 189.8329 7.876292 2.493640       0.2064578     2.645889       0.2922420     2.341946       0.2917095     195.0405 10.89480 183.3679 11.58047 11.67253       15.89981 
1 1 1 6  2  32  o 239.9106 8.467906 3.984964       0.2805197     3.960728       0.3700986     4.017688       0.4300459     238.9275 11.21795 240.0895 13.02059 -1.161987      17.18657 
1 1 1 6  2  33  o 162.9695 9.218451 1.845926       0.2065943     2.056019       0.2923232     1.636277       0.2920140     171.5809 12.42238 152.7044 14.00490 18.87656       18.72038 
1 1 1 6  2  34  o 122.9170 9.284719 1.052921       0.1564238     0.9820669      0.2695725     1.088889       0.1920661     117.3328 17.14459 124.7400 11.27262 -7.407173      20.51850 
1 1 1 6  2  35  o 202.2538 10.04247 2.837430       0.2804627     3.223954       0.4443952     2.581567       0.3615643     214.4482 15.10401 192.0564 13.72427 22.39185       20.40801 
1 1 1 6  2  36  o 411.2967 8.778576 11.72338       0.4985597     11.14779       0.6525795     12.53032       0.7726778     400.4660 11.80130 424.2151 13.19090 -23.74911      17.69945 
1 1 1 6  2  37  o 202.0609 7.944497 2.828145       0.2216596     3.045685       0.3139558     2.611935       0.3129945     209.1045 10.91127 193.4540 11.77313 15.65054       16.05187 
1 1 1 6  2  38  o 292.1950 8.001412 5.916028       0.3228326     5.816009       0.4550003     6.017426       0.4581242     289.1764 11.39491 294.1629 11.27866 -4.986511      16.03284 
1 1 1 6  2  39  o 448.5721 8.852084 13.95836       0.5482969     14.13474       0.7273755     13.72625       0.8344166     450.6040 11.69030 443.3902 13.62884 7.213806       17.95573 
1 1 1 6  2  40  o 491.7789 9.672883 16.79933       0.6568463     16.58207       0.9263347     17.01904       0.9315289     487.0719 13.77326 493.4927 13.67029 -6.420776      19.40566 
1 1 1 6  2  41  o 215.2118 9.260377 3.216768       0.2751900     3.749800       0.4810255     2.957438       0.3355196     230.7347 15.18273 205.6320 11.86693 25.10268       19.27017 
1 1 1 6  2  42  o 118.9337 9.449234 0.9889696      0.1539025     1.059390       0.2672673     0.9540353      0.1882451     121.6888 16.31681 116.3734 11.88137 5.315437       20.18429 
1 1 1 6  2  43  f 315.4069 8.627645 6.907433       0.3757522     6.888579       0.4964277     6.932724       0.5749695     314.3026 11.43853 314.7822 13.22808 -0.4796143     17.48777 
1 1 1 6  2  44  o 213.3888 8.521040 3.162186       0.2510742     3.133418       0.3316133     3.200830       0.3843376     211.6352 11.38957 213.4577 13.10292 -1.822556      17.36113 
1 1 1 6  2  45  o 163.3530 7.991122 1.852220       0.1802490     1.840876       0.2548743     1.863570       0.2549469     162.0020 11.46788 163.0179 11.39772 -1.015869      16.16850 
1 1 1 6  2  46  o 284.2318 8.017172 5.609007       0.3146530     5.480678       0.4441859     5.738266       0.4457915     280.1400 11.48290 286.7104 11.26031 -6.570313      16.08265 
1 1 1 6  2  47  o 202.4601 8.002030 2.846298       0.2237060     2.888622       0.3165391     2.804065       0.3161972     203.0708 11.33386 200.0258 11.49646 3.044983       16.14388 
1 1 1 6  2  48  o 215.8785 7.978746 3.236495       0.2378385     3.226755       0.3365131     3.246215       0.3361960     214.6103 11.39654 215.2706 11.35030 -0.6603088     16.08448 
1 1 1 6  2  49  f 216.3647 7.989975 3.251204       0.2387096     3.233150       0.3376865     3.269236       0.3374863     214.8113 11.42570 216.0299 11.35351 -1.218613      16.10742 
1 1 1 6  2  50  o 240.5492 8.015572 4.018552       0.2662418     3.916152       0.3761060     4.121408       0.3769411     236.7297 11.50587 242.9216 11.23749 -6.191833      16.08311 
1 1 1 6  2  51  o 205.2226 8.004215 2.924490       0.2268203     2.892720       0.3207261     2.956279       0.3208185     203.1796 11.47882 205.4388 11.35344 -2.259201      16.14509 
1 1 1 6  2  52  o 324.9848 8.112695 7.334022       0.3640544     7.221873       0.5144361     7.446532       0.5152661     321.5292 11.58705 326.5442 11.42751 -5.014954      16.27415 
1 1 1 6  2  53  o 291.9703 8.062896 5.918640       0.3250631     5.924954       0.4601602     5.912351       0.4592584     291.3015 11.44006 290.9945 11.42969 0.3070374      16.17135 
1 1 1 6  2  54  o 220.5399 8.605231 3.379145       0.2620521     3.384431       0.3465933     3.372091       0.4003975     219.8941 11.45443 218.9750 13.30521 0.9191437      17.55655 
1 1 1 6  2  55  o 221.0615 10.17480 3.402755       0.3105826     3.283675       0.4899467     3.482754       0.4015777     215.0449 16.62915 222.6512 13.11989 -7.606262      21.18160 
1 1 1 6  2  56  o 171.0818 10.29004 2.045145       0.2419548     2.038193       0.3829089     2.049766       0.3121751     169.1942 16.60366 170.5841 13.35999 -1.389908      21.31129 
1 1 1 6  2  57  o 150.8857 8.735800 1.586484       0.1812286     1.510235       0.2397399     1.688155       0.2768358     146.6065 11.94654 154.7996 13.07362 -8.193115      17.70987 
1 1 1 6  2  58  o 167.3325 8.112060 1.943112       0.1874345     1.931404       0.2648524     1.954859       0.2652929     165.9867 11.62905 167.0082 11.57545 -1.021469      16.40810 
1 1 1 6  2  59  o 123.1537 8.390148 1.057664       0.1418273     1.061192       0.2003854     1.054123       0.2007633     122.7315 11.97684 122.3055 12.04403 0.4259720      16.98539 
1 1 1 6  2  60  o 165.6440 8.145078 1.904113       0.1862984     1.881894       0.2632710     1.926397       0.2636608     163.8221 11.71570 165.7838 11.59062 -1.961716      16.48029 
1 1 1 6  2  61  o 210.1924 8.654834 3.068150       0.2511965     3.053957       0.3328172     3.086939       0.3829198     208.9149 11.58249 209.6029 13.29927 -0.6880493     17.63589 
1 1 1 6  2  62  f 176.6590 10.34793 2.180164       0.2513206     2.178706       0.3986487     2.181125       0.3237646     174.9783 16.70223 175.9999 13.42352 -1.021606      21.42792 
1 1 1 6  2  63  o 106.1013 11.03323 0.7930450      0.1592805     0.6954452      0.2511013     0.8587570      0.2060378     97.31388 19.36796 109.8466 13.89455 -12.53271      23.83645 
1 1 1 6  2  64  o 102.8112 9.375018 0.7410769      0.1316281     0.6965768      0.1737801     0.8009676      0.2016041     98.93037 13.03903 105.9442 14.13361 -7.013786      19.22954 
1 1 1 6  2  65  o 81.77477 9.152441 0.4707144      0.1015739     0.5455703      0.1445271     0.3976541      0.1427832     87.49921 12.30187 73.99880 14.49234 13.50041       19.00957 
1 1 1 6  2  66  o 176.9600 8.199902 2.175220       0.2003649     2.126552       0.2835674     2.223744       0.2831505     174.0027 11.87309 178.0239 11.58165 -4.021164      16.58628 
1 1 1 6  2  67  o 201.3811 8.184425 2.817663       0.2275857     2.825901       0.3223099     2.809470       0.3214016     200.6947 11.68105 200.1082 11.68252 0.5865173      16.52054 
1 1 1 6  2  68  o 137.0788 8.465544 1.311380       0.1594529     1.326011       0.2261059     1.296906       0.2248998     137.0962 12.06693 135.5534 12.14420 1.542740       17.11994 
1 1 1 6  2  69  o 224.3346 8.205399 3.498860       0.2541756     3.519387       0.3600662     3.478471       0.3588540     223.9020 11.68679 222.5837 11.71706 1.318314       16.54903 
1 1 1 6  2  70  o 114.2901 8.724176 0.9145158      0.1366400     0.8845801      0.1938319     0.9440876      0.1926498     111.4972 12.82345 115.3673 12.28225 -3.870125      17.75653 
1 1 1 6  2  71  o 77.21992 9.742995 0.4225523      0.1015744     0.3388861      0.1442217     0.5048999      0.1430808     67.80043 15.71217 83.83246 12.76325 -16.03203      20.24285 
1 1 1 6  2  72  o 111.5822 8.874804 0.8730325      0.1356089     0.8710323      0.1924316     0.8750057      0.1911348     110.5350 12.84743 110.8252 12.72051 -0.2901688     18.07948 
1 1 1 6  2  73  o 110.3356 8.913768 0.8540891      0.1346450     0.8096632      0.1908920     0.8980755      0.1899451     106.3720 13.28611 112.3348 12.45512 -5.962830      18.21129 
1 1 1 6  2  74  o 225.4471 8.902274 3.544157       0.2771300     3.741565       0.3675586     3.284094       0.4218736     230.8688 11.52984 214.9100 14.29793 15.95879       18.36758 
1 1 1 6  2  75  o 64.85496 14.16619 0.3088353      0.1233120     0.4852397      0.1950065     0.1912989      0.1591770     80.71325 17.96008 53.22087 18.10800 27.49238       25.50419 
1 1 1 6  2  76  o 288.2056 10.56008 5.817714       0.4202499     5.977372       0.6702143     5.714267       0.5394815     288.5029 16.89758 284.2275 13.74587 4.275360       21.78250 
1 1 1 6  2  77  o 171.3969 9.160844 2.056287       0.2160234     2.048778       0.2875884     2.066010       0.3272457     170.1498 12.32407 170.2533 14.04542 -0.1034546     18.68573 
1 1 1 6  2  78  o 231.4814 8.425348 3.734726       0.2693035     3.714775       0.3809943     3.754647       0.3807111     229.4283 12.06877 230.6908 11.99299 -1.262497      17.01432 
1 1 1 6  2  79  f 119.8652 9.176660 1.009037       0.1507316     1.082624       0.2138489     0.9363830      0.2124908     123.2471 12.75022 114.2364 13.74691 9.010727       18.74955 
1 1 1 6  2  80  o 65.72565 11.60197 0.3123142      0.1014447     0.4469613      0.1451950     0.1839004      0.1417943     78.32812 13.93514 51.57462 17.08662 26.75350       22.04860 
1 1 1 6  2  81  o 102.7924 10.49370 0.7481135      0.1468569     0.8314876      0.1959932     0.6413769      0.2217595     107.6000 13.48777 92.90736 17.93554 14.69261       22.44111 
1 1 1 6  2  82  o 145.1207 11.41604 1.489607       0.2269145     1.689911       0.3575738     1.354556       0.2936093     152.3841 17.30033 136.8351 15.83178 15.54903       23.45094 
1 1 1 6  2  83  o 120.7290 11.03144 1.032013       0.1818680     1.172569       0.3108599     0.9588668      0.2242520     126.1599 18.38494 115.3262 14.39571 10.83370       23.35043 
1 1 1 6  2  84  o 185.5354 9.499569 2.414204       0.2425547     2.583940       0.3197044     2.183995       0.3723256     191.0213 12.18426 174.1215 15.65303 16.89980       19.83616 
1 1 1 6  2  85  o 128.1716 9.526415 1.155875       0.1673955     1.139032       0.2375041     1.172501       0.2359695     125.9189 13.89093 127.8865 13.57000 -1.967552      19.41914 
1 1 1 6  2  86  o 77.68111 11.73344 0.4345413      0.1219351     0.3816359      0.1746146     0.4848936      0.1703490     71.23463 17.80197 80.96101 15.80510 -9.726372      23.80570 
1 1 1 6  2  87  o 176.1559 9.090596 2.177406       0.2203659     2.322045       0.3135244     2.036184       0.3097978     180.5938 12.65267 168.7432 13.40627 11.85066       18.43416 
1 1 1 6  2  88  o 108.2254 10.49594 0.8317468      0.1548796     0.9099934      0.2218200     0.7573129      0.2163482     111.8218 14.72406 101.3920 15.98224 10.42973       21.73085 
1 1 1 6  2  89  o 124.9451 9.845634 1.104350       0.1684875     1.290529       0.2405759     0.9251214      0.2360434     133.9143 13.18112 112.2115 15.66095 21.70284       20.46967 
1 1 1 6  2  90  o 49.78041 14.62369 0.1827058      0.1071502     0.2368027      0.1524194     0.1298491      0.1506623     56.54309 17.62188 46.65172 17.41400 9.891376       24.77455 
1 1 1 6  2  91  o 54.31023 14.64645 0.2214459      0.1123529     0.2845698      0.1597833     0.1597127      0.1580135     61.11093 17.83084 49.47761 17.94125 11.63332       25.29482 
1 1 1 6  2  92  o 99.11129 11.12452 0.7084307      0.1496161     0.9761376      0.2136641     0.4508764      0.2095734     115.3711 13.67850 75.54401 19.83692 39.82708       24.09575 
1 1 1 6  2  93  o 54.22507 14.48557 0.2232905      0.1105189     0.2538322      0.1572031     0.1934428      0.1554071     57.56866 17.88886 51.84986 17.88503 5.718792       25.29596 
1 1 1 6  2  94  o 68.53746 14.91986 0.3597030      0.1371925     0.2129059      0.1821881     0.5519678      0.2085024     54.23334 19.31356 83.42096 18.57758 -29.18762      26.79813 
1 1 1 6  2  95  o 111.7760 14.46341 0.9399834      0.2179971     1.140992       0.3648711     0.8283995      0.2718520     116.1042 23.56414 101.0724 20.18536 15.03181       31.02769 
1 1 1 6  2  96  o 115.0273 14.03191 0.9953397      0.2182526     0.8104559      0.3640200     1.099100       0.2727039     93.73801 26.78626 118.6781 17.13766 -24.94006      31.79942 
1 1 1 6  2  97  o 48.23073 15.68772 0.1762345      0.1197301     0.2806242      0.1587743     0.3861638E-01  0.1823010     59.13749 17.90548 41.59385 17.80862 17.54364       25.25377 
1 1 1 6  2  98  o 54.24850 15.41168 0.2312504      0.1208667     0.3475059      0.1696580     0.1114383      0.1722337     65.21448 18.16609 45.19439 18.12433 20.02009       25.66122 
1 1 1 6  2  99  o 48.22635 15.32693 0.1787282      0.1147630     0.1884930      0.1610495     0.1686542      0.1635787     50.40998 18.13658 48.86625 18.16392 1.543736       25.66833 
1 1 1 6  2  100 o 65.21590 14.54095 0.3325526      0.1276056     0.2974963      0.1799972     0.3679730      0.1809294     60.10702 19.20475 66.52345 18.84116 -6.416428      26.90375 
1 1 1 6  2  101 o 32.32878 13.67101 0.2183964E-01  0.1051370     0.3018022E-01  0.1404334     0.1120307E-01  0.1585890     36.87925 15.70600 37.55425 16.34618 -0.6749992     22.66883 
1 1 1 6  2  102 o 41.43502 15.93547 0.1049710      0.1283745     0.1506154      0.1920748     0.6812044E-01  0.1725834     48.82182 19.28230 42.19198 17.66010 6.629845       26.14740 
1 1 1 6  2  103 o 80.94869 15.95852 0.5178372      0.1720371     0.5422485      0.2544566     0.4972831      0.2334878     78.37549 22.39491 75.72438 21.38830 2.651108       30.96758 
1 1 1 6  2  104 o 107.7009 12.14900 0.8645686      0.1775179     0.8905054      0.2334335     0.8289989      0.2733656     106.2598 16.44034 98.99632 20.66554 7.263458       26.40737 
1 1 1 6  2  105 o 103.0423 11.66575 0.7893162      0.1630599     0.9475161      0.2325615     0.6363392      0.2286903     109.9839 15.76419 87.06418 19.50640 22.91973       25.08006 
1 1 1 6  2  106 o 93.49734 12.31431 0.6592914      0.1551138     0.4966295      0.2210940     0.8169599      0.2176740     75.38315 20.63709 101.4251 16.07893 -26.04200      26.16145 
1 1 1 6  2  107 o 143.4180 10.28029 1.511855       0.2022351     1.665262       0.2878447     1.362311       0.2841974     146.4014 14.42633 130.6025 16.09993 15.79889       21.61774 
1 1 1 6  2  108 o 76.68045 14.06376 0.4669699      0.1434224     0.6045223      0.2053155     0.3358826      0.2004325     83.97321 18.22977 61.00199 20.31975 22.97122       27.29865 
1 1 1 6  2  109 o 91.69098 12.31195 0.6533101      0.1519419     0.7596074      0.2170329     0.5511315      0.2127866     94.20898 17.32212 77.33900 19.83119 16.86998       26.33120 
1 1 1 6  2  110 o 52.66075 15.37588 0.2390855      0.1187774     0.3151964      0.1698285     0.1662061      0.1661840     57.93090 18.66969 45.62141 17.96193 12.30949       25.90730 
1 1 1 6  2  111 o 45.16852 15.08170 0.1773405      0.1103976     0.1641444      0.1576609     0.1900349      0.1546345     44.20241 17.46595 46.16523 17.55217 -1.962822      24.76163 
1 1 1 6  2  112 o 31.47528 13.24949 0.4897762E-01  0.9803032E-01 0.4686562E-01  0.1399182     0.5101396E-01  0.1373881     34.52258 15.18115 34.59873 15.13293 -0.7615662E-01 21.43532 
1 1 1 6  2  113 f 29.94703 13.25490 0.2738627E-01  0.1083392     -0.1107129     0.1538251     0.1633154      0.1526118     27.80640 13.40855 40.88353 16.81248 -13.07713      21.50462 
1 1 1 6  2  114 o 23.35235 11.34267 -0.1083640     0.1152417     -0.1666428     0.1706500     -0.5950390E-01 0.1562528     26.53526 13.07617 28.50888 13.68736 -1.973612      18.92961 
1 1 1 6  2  115 o 28.97380 13.56086 0.3196117E-01  0.1355597     0.3305918E-01  0.1982252     0.3099652E-01  0.1857984     31.05002 15.03307 30.67180 14.77661 0.3782215      21.07941 
1 1 1 6  2  116 o 24.55780 11.91749 -0.2299443E-01 0.1264574     -0.7390478E-01 0.1843892     0.2221528E-01  0.1737593     25.73064 12.83428 27.54084 13.49591 -1.810204      18.62413 
1 1 1 6  2  117 o 22.03771 10.92259 -0.4074934E-01 0.1252802     -0.3010460E-01 0.1835801     -0.5002768E-01 0.1713931     23.96829 12.07269 23.36815 11.75702 0.6001339      16.85163 
1 1 1 6  2  118 o 22.49099 11.22329 0.8852726E-01  0.1416580     0.9442122E-01  0.2065632     0.8329422E-01  0.1946377     22.33367 11.40403 22.23136 11.32684 0.1023064      16.07324 
1 1 1 6  2  119 o 17.37693 8.879008 -0.1932529E-01 0.1271444     -0.1493018     0.1849934     0.9703841E-01  0.1750380     17.00858 8.786141 18.77907 9.649465 -1.770491      13.05023 
1 1 1 6  2  120 o 15.53880 8.064015 0.7717678E-01  0.1975681     0.3412487E-01  0.2838962     0.1176074      0.2751177     15.36842 7.998867 15.54528 8.088751 -0.1768627     11.37584 
1 1 1 6  2  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  130 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  0   o 494.9308 24.02241 17.12161       1.632902      17.12161       1.632902      0.000000       0.000000      494.9308 24.02241 494.9308 24.02241 -0.000000      0.000000 
1 1 1 6  3  1   o 206.5042 15.93472 2.975544       0.4508581     3.189891       0.6386507     2.762588       0.6365737     212.8731 22.04684 197.6085 23.80882 15.26460       32.44878 
1 1 1 6  3  2   o 168.4473 16.06670 1.986140       0.3691744     1.986140       0.3691744     0.000000       0.000000      168.4473 16.06670 ?        ?        0.000000       16.06670 
1 1 1 6  3  3   o 243.4663 15.93589 4.129404       0.5327830     4.129404       0.5327830     0.000000       0.000000      243.4663 15.93589 ?        ?        0.000000       15.93589 
1 1 1 6  3  4   o 344.1512 13.07619 8.203763       0.6213962     8.203763       0.6213962     0.000000       0.000000      344.1512 13.07619 ?        ?        0.000000       13.07619 
1 1 1 6  3  5   o 215.7177 12.92073 3.234466       0.3830954     3.234466       0.3830954     0.000000       0.000000      215.7177 12.92073 ?        ?        0.000000       12.92073 
1 1 1 6  3  6   o 321.0721 13.22212 7.141238       0.5861942     7.141238       0.5861942     0.000000       0.000000      321.0721 13.22212 ?        ?        0.000000       13.22212 
1 1 1 6  3  7   o 209.2955 12.96070 3.045735       0.3727213     2.797236       0.4538021     3.560870       0.6533775     200.0746 16.57546 225.1391 21.26918 -25.06454      26.96524 
1 1 1 6  3  8   o 376.9431 13.26547 9.843763       0.6904567     9.800688       0.8443888     9.930681       1.199450      375.7903 16.27267 376.5822 23.17923 -0.7919312     28.32096 
1 1 1 6  3  9   o 379.0502 11.49220 9.945901       0.6015033     9.766609       0.8473333     10.12803       0.8540142     375.1128 16.35891 382.0112 16.19016 -6.898438      23.01598 
1 1 1 6  3  10  o 627.7748 12.37671 27.29358       1.072870      27.70377       1.524886      26.89148       1.509763      631.5029 17.48735 622.1570 17.57400 9.345947       24.79220 
1 1 1 6  3  11  o 175.7577 11.23684 2.146926       0.2712803     2.473575       0.3860810     1.828383       0.3812608     188.2610 14.97563 161.3156 17.39121 26.94536       22.95047 
1 1 1 6  3  12  o 254.0291 11.22599 4.467036       0.3937732     4.514307       0.5572457     4.419888       0.5565138     254.5394 15.93482 251.8320 16.08795 2.707336       22.64378 
1 1 1 6  3  13  o 308.6809 11.33816 6.596494       0.4832707     6.796505       0.6864181     6.399907       0.6805161     312.5067 15.96034 303.1725 16.31592 9.334106       22.82415 
1 1 1 6  3  14  o 425.0163 11.64276 12.50826       0.6832813     12.55008       0.9692924     12.46695       0.9633462     425.0951 16.51318 423.6920 16.46623 1.403137       23.31999 
1 1 1 6  3  15  o 283.5411 11.31082 5.566380       0.4428413     5.701208       0.6286268     5.433554       0.6239437     286.1128 15.97553 279.2519 16.25150 6.860962       22.78879 
1 1 1 6  3  16  o 211.0238 11.26618 3.092117       0.3270941     3.182792       0.4636355     3.002260       0.4615336     213.5196 15.83826 207.2792 16.25569 6.240372       22.69577 
1 1 1 6  3  17  o 243.7517 11.29710 4.114465       0.3802356     3.962193       0.5354080     4.269412       0.5400912     238.2523 16.37398 247.4337 15.89181 -9.181427      22.81790 
1 1 1 6  3  18  o 240.2865 11.27185 3.998699       0.3739924     3.872453       0.5265884     4.127190       0.5312525     235.5137 16.29275 243.2327 15.90520 -7.718918      22.76904 
1 1 1 6  3  19  o 402.2198 11.62358 11.20800       0.6455672     11.22047       0.9115470     11.19544       0.9143993     401.7558 16.43157 401.2957 16.50188 0.4600525      23.28752 
1 1 1 6  3  20  o 310.6739 11.39904 6.686663       0.4890025     6.677195       0.6906535     6.696182       0.6924579     309.4958 16.21740 309.9331 16.23681 -0.4373169     22.94860 
1 1 1 6  3  21  o 326.5486 9.403581 7.380213       0.4240128     7.066358       0.5971062     7.699463       0.6022159     319.1090 13.55110 333.1540 13.09089 -14.04501      18.84154 
1 1 1 6  3  22  o 292.8536 9.316392 5.936261       0.3767353     5.931761       0.5327417     5.940762       0.5328267     292.3694 13.19613 292.5921 13.18820 -0.2226257     18.65654 
1 1 1 6  3  23  o 155.5342 9.226791 1.680398       0.1972736     1.805181       0.2792028     1.556000       0.2787718     160.8081 12.67681 149.0756 13.69583 11.73253       18.66219 
1 1 1 6  3  24  o 143.2489 9.266598 1.426573       0.1823126     1.402537       0.2573927     1.450773       0.2582673     141.5054 13.33011 143.9685 13.13630 -2.463089      18.71508 
1 1 1 6  3  25  o 256.8905 9.225270 4.569430       0.3272391     4.567023       0.4625074     4.571842       0.4630650     256.1142 13.12224 256.2482 13.13121 -0.1340027     18.56399 
1 1 1 6  3  26  o 161.6395 9.216759 1.815206       0.2048616     1.776530       0.2893513     1.854079       0.2900863     159.3653 13.26965 162.8688 13.00737 -3.503540      18.58158 
1 1 1 6  3  27  o 196.0563 10.11767 2.671169       0.2729708     2.423166       0.3514471     3.048285       0.4333804     186.1738 13.76876 208.6792 15.14327 -22.50540      20.46699 
1 1 1 6  3  28  o 296.7084 10.16951 6.103424       0.4166464     6.447976       0.5416892     5.604295       0.6519731     304.5868 12.87956 282.8312 16.76896 21.75565       21.14429 
1 1 1 6  3  29  o 177.5721 10.12509 2.193408       0.2472344     2.228924       0.3197423     2.140603       0.3898823     178.5705 13.05793 174.3560 16.38642 4.214523       20.95291 
1 1 1 6  3  30  o 55.61359 10.74128 0.2218544      0.7949876E-01 0.2066780      0.1124944     0.2369951      0.1123622     53.62479 14.73720 57.21820 14.26987 -3.593410      20.51376 
1 1 1 6  3  31  o 345.2716 10.29302 8.271277       0.4907290     8.639552       0.7833273     8.033378       0.6295856     351.6159 16.13380 339.6848 13.42273 11.93115       20.98736 
1 1 1 6  3  32  o 203.5766 11.37493 2.888252       0.3184740     3.102666       0.4534177     2.679469       0.4474226     210.1493 15.73977 194.9698 16.78284 15.17943       23.00879 
1 1 1 6  3  33  f 99.89272 9.578141 0.6984761      0.1304955     0.7119939      0.1602380     0.6718553      0.2248662     100.5196 11.76722 96.45078 17.52992 4.068863       21.11316 
1 1 1 6  3  34  o 282.3087 8.079331 5.522547       0.3149471     5.737744       0.4478401     5.311971       0.4430042     287.2590 11.29045 276.3393 11.60987 10.91971       16.19455 
1 1 1 6  3  35  o 276.3102 8.632309 5.294441       0.3293532     5.528450       0.4382497     4.990769       0.4992387     281.9154 11.25809 267.0683 13.58257 14.84711       17.64173 
1 1 1 6  3  36  o 227.0524 9.231233 3.578536       0.2894168     3.530275       0.4093136     3.626789       0.4092808     224.4954 13.26304 227.5987 13.07804 -3.103271      18.62641 
1 1 1 6  3  37  o 148.1366 8.663178 1.527894       0.1764339     1.294528       0.2679941     1.706417       0.2343976     135.2105 14.58506 156.2085 10.93600 -20.99803      18.22965 
1 1 1 6  3  38  o 209.2462 8.562304 3.038582       0.2473923     3.041163       0.3793893     3.036674       0.3263105     208.1779 13.26724 208.4670 11.37892 -0.2891541     17.47854 
1 1 1 6  3  39  o 130.0616 9.084837 1.180639       0.1621317     0.9942933      0.2473060     1.321100       0.2147110     117.9937 15.55824 137.2062 11.43715 -19.21251      19.30977 
1 1 1 6  3  40  o 411.9740 8.835259 11.78882       0.5026053     11.81882       0.6654510     11.74897       0.7668723     411.5617 11.70963 409.6097 13.55860 1.952057       17.91511 
1 1 1 6  3  41  o 212.8185 8.603352 3.145882       0.2528220     3.032796       0.3339243     3.297782       0.3870092     208.1192 11.66681 216.6918 12.99423 -8.572540      17.46323 
1 1 1 6  3  42  o 150.5115 8.133342 1.577300       0.1684075     1.575860       0.2381482     1.578740       0.2381803     149.7942 11.60423 149.9339 11.59463 -0.1396942     16.40407 
1 1 1 6  3  43  o 412.2108 8.277284 11.80164       0.4711347     11.68508       0.6645361     11.91944       0.6680481     408.9272 11.76886 413.0309 11.71351 -4.103607      16.60460 
1 1 1 6  3  44  o 230.6667 8.045132 3.694855       0.2562453     3.698168       0.3621241     3.691532       0.3626478     230.1008 11.39728 229.8880 11.42433 0.2128601      16.13733 
1 1 1 6  3  45  o 137.4568 8.322440 1.317535       0.1572183     1.353767       0.2223316     1.281297       0.2223489     138.6774 11.72044 134.8088 12.07266 3.868622       16.82610 
1 1 1 6  3  46  o 124.2193 8.348248 1.076951       0.1423615     1.195845       0.2015605     0.9586005      0.2010995     130.3656 11.30912 116.3012 12.73032 14.06438       17.02813 
1 1 1 6  3  47  o 355.7838 8.182144 8.793137       0.4019679     8.660235       0.5660635     8.928319       0.5709043     351.9825 11.64679 357.4186 11.56773 -5.436157      16.41524 
1 1 1 6  3  48  o 301.9593 8.115713 6.332491       0.3383865     6.110109       0.4756585     6.560364       0.4814964     295.6862 11.65001 306.4726 11.37793 -10.78641      16.28435 
1 1 1 6  3  49  f 310.8106 8.132079 6.708558       0.3490080     6.747259       0.4925129     6.669524       0.4946378     310.8123 11.47576 308.9800 11.59362 1.832275       16.31273 
1 1 1 6  3  50  o 190.4353 8.095452 2.518075       0.2128759     2.560051       0.3002720     2.475660       0.3018383     191.1500 11.42871 187.8986 11.69151 3.251358       16.34952 
1 1 1 6  3  51  o 221.6464 8.659604 3.413563       0.2650310     3.497874       0.3496186     3.299657       0.4063724     223.5747 11.36225 216.4822 13.66465 7.092514       17.77142 
1 1 1 6  3  52  o 318.3111 9.437265 7.047369       0.4147973     7.024285       0.5840308     7.070866       0.5892278     316.6194 13.35858 317.6411 13.43410 -1.021637      18.94536 
1 1 1 6  3  53  o 106.3546 9.831741 0.7936238      0.1427519     0.6919560      0.2468835     0.8446868      0.1749660     97.11871 19.09051 109.3860 11.76908 -12.26725      22.42674 
1 1 1 6  3  54  o 199.6441 9.350846 2.770986       0.2577777     2.702629       0.3635861     2.840074       0.3655271     195.9848 13.51794 201.0028 13.24402 -5.017990      18.92455 
1 1 1 6  3  55  o 238.9146 8.643116 3.963963       0.2851353     3.944666       0.3769015     3.989788       0.4360098     237.8042 11.47811 238.3892 13.29859 -0.5850220     17.56700 
1 1 1 6  3  56  o 97.33599 8.635043 0.6630020      0.1148532     0.6454861      0.1623680     0.6805434      0.1624860     95.29660 12.65190 97.96990 12.28104 -2.673302      17.63220 
1 1 1 6  3  57  o 186.3728 8.151627 2.410500       0.2097804     2.476398       0.2967682     2.344685       0.2965804     188.0898 11.48151 182.9294 11.80443 5.160477       16.46722 
1 1 1 6  3  58  o 185.6237 8.672292 2.392783       0.2222825     2.381435       0.2944784     2.407813       0.3388890     184.4037 11.62450 185.0107 13.35523 -0.6070404     17.70568 
1 1 1 6  3  59  o 150.7422 9.524932 1.586092       0.1972404     1.542181       0.2787132     1.630146       0.2791673     147.7426 13.82263 152.0246 13.43716 -4.282013      19.27751 
1 1 1 6  3  60  f 230.3122 9.380418 3.687798       0.2983164     3.584929       0.5148063     3.739803       0.3660363     224.8132 16.70313 231.5373 11.44894 -6.724121      20.25026 
1 1 1 6  3  61  o 170.1452 9.590750 2.019819       0.2244067     2.020758       0.3165561     2.018870       0.3181681     169.2837 13.65875 169.1828 13.73819 0.1008453      19.37264 
1 1 1 6  3  62  o 62.37677 11.13940 0.2793646      0.9242481E-01 0.1383777      0.1194899     0.4893478      0.1458258     46.03445 15.68889 82.60101 13.23197 -36.56657      20.52380 
1 1 1 6  3  63  o 172.7779 8.260942 2.073334       0.1970860     2.141260       0.2788200     2.005503       0.2786234     174.7064 11.62420 168.9593 12.02098 5.747101       16.72202 
1 1 1 6  3  64  o 280.8539 8.186576 5.479155       0.3174832     5.405028       0.4482885     5.553749       0.4496928     278.0763 11.67497 281.9122 11.55219 -3.835907      16.42431 
1 1 1 6  3  65  o 143.5036 8.451154 1.436274       0.1667229     1.387720       0.2354550     1.485098       0.2361099     140.2613 12.28089 145.2306 11.87778 -4.969269      17.08514 
1 1 1 6  3  66  o 135.6334 8.494870 1.284077       0.1582943     1.279564       0.2238494     1.288590       0.2238746     134.6287 12.17316 135.1174 12.12846 -0.4886322     17.18387 
1 1 1 6  3  67  o 163.2147 8.376392 1.857344       0.1881434     1.763127       0.2659544     1.951731       0.2661954     158.1173 12.27747 166.5752 11.64645 -8.457947      16.92265 
1 1 1 6  3  68  o 161.5197 8.383427 1.819812       0.1863327     1.761157       0.2635246     1.878459       0.2635040     157.9920 12.17326 163.3111 11.76392 -5.319077      16.92862 
1 1 1 6  3  69  o 109.9976 8.854223 0.8481935      0.1333454     0.7513584      0.1887622     0.9446532      0.1883959     102.3740 13.69659 115.4292 11.99519 -13.05525      18.20663 
1 1 1 6  3  70  o 91.11136 9.302321 0.5848719      0.1153898     0.6213829      0.1640909     0.5491557      0.1622954     93.05758 13.13535 87.16660 13.95474 5.890984       19.16435 
1 1 1 6  3  71  o 82.71035 9.783731 0.4842646      0.1095735     0.4704691      0.1555270     0.4978609      0.1543999     80.36092 14.55172 82.87099 13.99113 -2.510078      20.18673 
1 1 1 6  3  72  o 135.1563 9.264252 1.280544       0.1718525     1.283485       0.2269097     1.276587       0.2631751     134.5305 12.35301 133.5049 14.50971 1.025558       19.05593 
1 1 1 6  3  73  f 98.15767 11.99083 0.6868379      0.1591430     0.5298690      0.2511093     0.7922057      0.2057361     83.60576 21.59835 104.7771 14.61839 -21.17135      26.08038 
1 1 1 6  3  74  o 91.36713 11.07634 0.5935978      0.1368852     0.6751736      0.2380835     0.5533163      0.1673021     95.27008 18.76582 87.30878 14.37791 7.961296       23.64066 
1 1 1 6  3  75  o 172.5515 9.070146 2.083358       0.2153498     2.069331       0.2867717     2.101497       0.3261074     171.0468 12.22231 171.7964 13.86514 -0.7496033     18.48316 
1 1 1 6  3  76  o 154.9649 8.619698 1.679426       0.1837142     1.567750       0.2594691     1.791692       0.2601545     148.5687 12.77212 159.1687 11.92347 -10.60002      17.47273 
1 1 1 6  3  77  o 58.01109 11.87934 0.2450682      0.9195518E-01 0.2585829      0.1308500     0.2318813      0.1292532     59.16505 15.74115 56.21619 15.92581 2.948864       22.39230 
1 1 1 6  3  78  o 86.49109 10.07393 0.5304697      0.1180577     0.5519196      0.1681438     0.5096140      0.1657986     87.09176 14.49109 83.48644 14.93031 3.605316       20.80639 
1 1 1 6  3  79  o 65.49487 12.47688 0.3120846      0.1087165     0.2708073      0.1454685     0.3643087      0.1636248     60.50569 16.80951 69.88652 17.09644 -9.380833      23.97599 
1 1 1 6  3  80  o 92.17686 11.60419 0.6066250      0.1444246     0.6590061      0.2043717     0.5543711      0.2041229     94.76696 16.20003 86.28128 17.72610 8.485680       24.01366 
1 1 1 6  3  81  o 149.7008 10.29648 1.577830       0.2115446     1.742074       0.3668415     1.496000       0.2589345     154.6380 17.48735 144.8860 13.08389 9.752060       21.84023 
1 1 1 6  3  82  o 129.3458 10.89691 1.182941       0.1928100     1.465344       0.2743214     0.9072201      0.2710570     143.0045 14.07460 110.6769 18.38124 32.32751       23.15090 
1 1 1 6  3  83  o 125.3315 10.09739 1.107825       0.1732639     1.338295       0.2303293     0.8074163      0.2629656     137.1711 12.29076 103.9714 19.01752 33.19968       22.64351 
1 1 1 6  3  84  o 121.7316 9.499112 1.043439       0.1584064     1.180219       0.2263345     0.9121131      0.2217761     128.4897 12.93262 112.2300 14.66131 16.25967       19.55011 
1 1 1 6  3  85  o 226.7637 8.664769 3.593575       0.2713117     4.059129       0.3875360     3.146042       0.3799616     239.8159 11.70297 210.1486 13.16045 29.66725       17.61127 
1 1 1 6  3  86  o 32.03081 12.59980 0.4364549E-01  0.8170482E-01 0.7278545E-01  0.1189179     0.1758949E-01  0.1124493     39.21000 15.26506 33.90542 14.22713 5.304581       20.86704 
1 1 1 6  3  87  o 106.1471 10.05759 0.7991568      0.1456557     0.9328265      0.2085321     0.6718162      0.2035353     113.5936 13.56297 95.27521 16.04100 18.31839       21.00638 
1 1 1 6  3  88  o 79.81402 11.76830 0.4610153      0.1258055     0.5229404      0.1807510     0.4028286      0.1752100     83.56450 16.24978 72.74942 17.62701 10.81508       23.97430 
1 1 1 6  3  89  o 54.71469 14.12139 0.2239973      0.1074105     0.3775972      0.1539195     0.7819714E-01  0.1499606     70.60889 16.13901 42.42497 16.94785 28.18391       23.40294 
1 1 1 6  3  90  o 69.33142 12.84067 0.3553456      0.1184022     0.3425539      0.1691566     0.3676325      0.1657862     66.59711 17.97636 69.09605 17.38961 -2.498932      25.01096 
1 1 1 6  3  91  f 74.86840 12.72977 0.4142980      0.1268893     0.4036622      0.1816181     0.4244404      0.1773550     71.82496 18.26950 73.89778 17.62772 -2.072823      25.38722 
1 1 1 6  3  92  o 55.24334 14.76629 0.2330155      0.1148029     0.4097476      0.1628415     0.5837648E-01  0.1618744     72.69225 16.58924 41.61813 17.23437 31.07412       23.92126 
1 1 1 6  3  93  o 98.14407 13.29709 0.7161379      0.1755618     0.9367685      0.2484565     0.4961266      0.2481075     110.2644 16.85356 77.02115 22.14630 33.24328       27.82985 
1 1 1 6  3  94  o 85.87119 14.79068 0.5629693      0.1690481     0.4662688      0.3091732     0.6042079      0.2019016     73.26382 25.22897 87.56980 17.31091 -14.30598      30.59687 
1 1 1 6  3  95  o 98.71114 12.05268 0.7207546      0.1608693     0.6004942      0.2155815     0.8718587      0.2416509     86.14212 18.66354 105.3426 17.20712 -19.20047      25.38529 
1 1 1 6  3  96  o 78.21471 12.65089 0.4600212      0.1319655     0.3601143      0.1855967     0.5621788      0.1876756     66.07277 19.19967 84.29081 16.71502 -18.21804      25.45622 
1 1 1 6  3  97  o 50.24724 14.87550 0.1961381      0.1104982     0.2448843      0.1553146     0.1461762      0.1572394     55.48072 17.85138 46.81130 17.72290 8.669422       25.15498 
1 1 1 6  3  98  o 59.07220 14.85690 0.2745521      0.1210688     0.1431303      0.1698679     0.4102338      0.1725989     47.17016 18.27772 70.92863 17.68421 -23.75847      25.43239 
1 1 1 6  3  99  o 33.55736 13.71890 0.4315734E-01  0.1008741     -0.2470911E-01 0.1335056     0.1334511      0.1539929     32.78602 14.60191 45.46113 17.46047 -12.67511      22.76145 
1 1 1 6  3  100 o 23.85442 11.20643 -0.8653172E-01 0.9405521E-01 -0.1143254     0.1296065     -0.5561000E-01 0.1367055     27.87857 13.11548 31.52559 14.33944 -3.647017      19.43284 
1 1 1 6  3  101 o 40.23973 15.14374 0.1027781      0.1143943     0.1583682      0.1808370     0.6569328E-01  0.1477021     48.80629 18.87346 39.96924 16.49983 8.837051       25.06894 
1 1 1 6  3  102 o 67.89256 16.10153 0.3681342      0.1486617     0.3157500      0.1986995     0.4347411      0.2240557     61.55939 20.21865 70.94342 21.22337 -9.384033      29.31255 
1 1 1 6  3  103 f 91.36984 13.38098 0.6346005      0.1638187     0.5847232      0.2117930     0.7088825      0.2584647     84.11962 18.71645 90.97881 21.00010 -6.859184      28.13022 
1 1 1 6  3  104 f 99.33492 12.01938 0.7380172      0.1615083     0.3747965      0.2262894     1.115160       0.2305856     65.59170 21.57838 120.7149 14.09916 -55.12323      25.77621 
1 1 1 6  3  105 o 116.4402 11.15893 1.005266       0.1772195     1.154487       0.2494719     0.8532508      0.2517968     121.4567 15.20863 101.2898 18.69167 20.16683       24.09733 
1 1 1 6  3  106 o 88.71883 12.88575 0.6048472      0.1532404     0.6900864      0.2153306     0.5173805      0.2181259     90.97655 17.77849 76.30595 20.33425 14.67061       27.01030 
1 1 1 6  3  107 o 93.78106 12.25024 0.6760291      0.1548440     0.7062186      0.2174339     0.6449639      0.2205647     90.92737 17.95501 85.62498 19.13651 5.302383       26.24097 
1 1 1 6  3  108 o 40.76453 14.97196 0.1247512      0.1105448     0.1943050      0.1551755     0.5308066E-01  0.1575189     48.27355 17.73734 38.26408 16.47226 10.00948       24.20638 
1 1 1 6  3  109 o 40.25725 14.78275 0.1261119      0.1077608     0.4674978E-01  0.1514569     0.2074750      0.1533544     36.80478 15.99707 48.46945 17.65960 -11.66467      23.82788 
1 1 1 6  3  110 o 29.47244 12.81522 0.1816869E-01  0.9727605E-01 -0.4277096E-01 0.1371590     0.7984273E-01  0.1379829     30.23025 13.97468 37.18191 15.68904 -6.951662      21.01042 
1 1 1 6  3  111 o 32.89419 13.98017 0.5676868E-01  0.1108521     0.2746152E-01  0.1439001     0.9954443E-01  0.1738493     33.47955 15.01682 38.92149 17.02332 -5.441936      22.70018 
1 1 1 6  3  112 o 55.72884 18.45627 0.3620106      0.1654432     0.2363899      0.2638814     0.4433703      0.2123650     43.80167 19.92294 57.06173 20.78271 -13.26006      28.78966 
1 1 1 6  3  113 o 30.12396 14.04880 0.1497455E-01  0.1433830     0.9409056E-01  0.2082709     -0.5630767E-01 0.1976910     35.32099 16.61954 30.52871 14.83476 4.792278       22.27732 
1 1 1 6  3  114 o 43.84651 18.18980 0.3482974      0.1807851     0.5071797      0.2614526     0.2027359      0.2502525     43.86252 19.90445 35.12790 16.97920 8.734627       26.16258 
1 1 1 6  3  115 o 33.47117 15.44204 0.2208741      0.1662432     0.2302569      0.2417832     0.2124610      0.2289484     31.64229 15.58737 31.47629 15.43804 0.1660061      21.93853 
1 1 1 6  3  116 o 24.31678 12.00165 0.4899684E-01  0.1456798     0.8568157E-01  0.2148409     0.1777257E-01  0.1982076     25.29411 12.77961 24.24825 12.25403 1.045858       17.70535 
1 1 1 6  3  117 o 25.54810 12.71996 0.3245494      0.1776914     0.5171490      0.2606607     0.1573450      0.2428688     24.80626 12.67822 22.08598 11.34983 2.720282       17.01634 
1 1 1 6  3  118 o 14.66571 7.554375 -0.2142309     0.1198537     -0.3468820     0.1566593     -0.2699714E-01 0.1861198     14.89951 7.716711 17.34323 8.953795 -2.443718      11.82024 
1 1 1 6  3  119 o 15.50357 8.073593 0.4756657      0.3658103     0.000000       0.000000      0.4756657      0.3658103     ?        ?        15.50357 8.073593 0.000000       8.073593 
1 1 1 6  3  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  129 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  0   o 232.5183 23.22709 3.868250       0.7286748     0.000000       0.000000      3.868250       0.7286748     232.5183 23.22709 232.5183 23.22709 0.000000       0.000000 
1 1 1 6  4  1   o 94.13331 13.49986 0.6270462      0.1704499     0.5927635      0.2093093     0.6945400      0.2936858     90.82293 17.32211 97.76498 22.25467 -6.942047      28.20152 
1 1 1 6  4  2   o 160.9817 11.28078 1.803874       0.2491730     1.826186       0.2880464     1.737538       0.4966621     161.7642 13.00553 155.7766 23.84897 5.987640       27.16463 
1 1 1 6  4  3   o 295.5309 11.29632 6.050147       0.4609756     6.140993       0.5320517     5.776635       0.9231865     297.5855 12.94804 286.2508 23.56570 11.33472       26.88855 
1 1 1 6  4  4   f 400.4389 11.53839 11.10983       0.6379983     10.88694       0.7330495     11.80601       1.295531      396.1591 13.40064 410.0511 22.97331 -13.89194      26.59605 
1 1 1 6  4  5   o 144.7766 11.34211 1.460919       0.2249278     1.615361       0.2603009     1.005690       0.4468989     152.1363 12.50153 117.1802 28.00168 34.95612       30.66565 
1 1 1 6  4  6   o 203.3329 11.26493 2.872978       0.3150467     3.053404       0.3649670     2.345442       0.6240667     209.4645 12.67815 181.0013 25.69059 28.46326       28.64859 
1 1 1 6  4  7   o 387.4751 13.31914 10.41616       0.7126197     10.09972       0.8671040     11.07464       1.250824      381.0536 16.47962 397.0201 22.91372 -15.96649      28.22439 
1 1 1 6  4  8   o 418.7701 13.42792 12.16878       0.7764660     12.22851       0.9488389     12.04769       1.350975      419.2811 16.38888 413.8288 23.74154 5.452301       28.84885 
1 1 1 6  4  9   o 261.0367 11.30350 4.721683       0.4074296     4.685388       0.5707159     4.759405       0.5818297     259.0694 16.03265 261.0826 16.21934 -2.013153      22.80598 
1 1 1 6  4  10  o 288.1362 11.33075 5.753519       0.4508109     5.714077       0.6351154     5.793568       0.6399984     286.1514 16.13969 288.1391 16.15074 -1.987640      22.83278 
1 1 1 6  4  11  o 365.4359 11.50212 9.256618       0.5803993     9.555381       0.8240856     8.962562       0.8175703     370.5829 16.10457 358.8343 16.50035 11.74860       23.05686 
1 1 1 6  4  12  o 465.4318 11.77127 15.01996       0.7565144     15.37116       1.076810      14.67766       1.063068      469.8570 16.59722 459.0951 16.76952 10.76187       23.59416 
1 1 1 6  4  13  o 274.6890 11.28806 5.230335       0.4281525     5.157284       0.6045469     5.303849       0.6064557     271.7210 16.18609 275.6036 16.00481 -3.882599      22.76276 
1 1 1 6  4  14  o 128.5604 11.33655 1.154665       0.1991850     1.133598       0.2811090     1.175908       0.2822749     126.5429 16.47882 128.9689 16.20877 -2.426064      23.11440 
1 1 1 6  4  15  o 278.7640 11.29208 5.388026       0.4346589     5.557148       0.6155320     5.219815       0.6138723     282.0872 15.86707 273.2684 16.34357 8.818787       22.77886 
1 1 1 6  4  16  o 85.29934 11.76252 0.5141339      0.1348573     0.5274918      0.1902853     0.5006542      0.1911519     85.55862 16.70598 83.23215 17.20090 2.326477       23.97834 
1 1 1 6  4  17  o 196.7593 11.26953 2.693695       0.3049075     2.710471       0.4315624     2.676973       0.4308471     196.6000 16.03697 195.3582 16.11563 1.241821       22.73539 
1 1 1 6  4  18  o 207.2346 11.29466 2.987805       0.3219820     3.024578       0.4563726     2.951359       0.4543369     207.7148 16.03576 205.1445 16.17021 2.570282       22.77326 
1 1 1 6  4  19  o 144.8775 11.35723 1.465206       0.2253818     1.465332       0.3197986     1.465081       0.3176879     144.0387 16.36977 144.0486 16.25613 -0.9841919E-02 23.07014 
1 1 1 6  4  20  o 108.7102 11.59494 0.8294954      0.1713654     0.7878543      0.2427551     0.8708578      0.2419414     104.8473 17.37617 110.5665 16.33927 -5.719177      23.85169 
1 1 1 6  4  21  f 218.3246 11.34605 3.317280       0.3408678     3.318589       0.4826427     3.315977       0.4814792     217.4785 16.18799 217.3990 16.15461 0.7949829E-01  22.86968 
1 1 1 6  4  22  o 156.7607 11.34870 1.714763       0.2439908     1.667297       0.3453161     1.762086       0.3447947     153.6449 16.53693 158.1059 16.01427 -4.460938      23.02014 
1 1 1 6  4  23  o 175.2844 11.34506 2.142223       0.2731198     2.199527       0.3872548     2.085510       0.3852524     176.7736 16.03968 172.0129 16.41923 4.760727       22.95348 
1 1 1 6  4  24  o 343.0042 11.50082 8.172879       0.5447111     8.230107       0.7705277     8.115707       0.7701482     343.1545 16.26150 340.7338 16.36896 2.420776       23.07334 
1 1 1 6  4  25  o 180.7130 13.19613 2.285416       0.3270100     2.542706       0.5683448     2.158086       0.3998208     188.4547 22.27126 174.8485 16.76577 13.60617       27.87651 
1 1 1 6  4  26  o 137.2201 13.36563 1.323776       0.2500328     1.346683       0.4331002     1.312325       0.3062155     135.8670 23.96106 135.9486 16.66098 -0.8161926E-01 29.18425 
1 1 1 6  4  27  o 127.2352 24.37070 1.188325       0.4125766     1.188325       0.4125766     0.000000       0.000000      127.2352 24.37070 ?        ?        0.000000       24.37070 
1 1 1 6  4  28  o 108.2118 13.78789 0.8298873      0.2013396     1.057932       0.2486034     0.3951846      0.3432364     122.1191 15.06219 77.15929 26.58177 44.95980       30.55258 
1 1 1 6  4  29  o 81.49028 12.34676 0.4727834      0.1345782     0.4428603      0.1881560     0.5041253      0.1925653     77.84660 17.88065 83.22605 17.32000 -5.379456      24.89378 
1 1 1 6  4  30  o 135.3418 10.43077 1.280688       0.1934305     1.108621       0.3033055     1.398646       0.2511268     124.1958 18.22871 140.9970 13.04657 -16.80124      22.41649 
1 1 1 6  4  31  o 347.6202 9.464133 8.392477       0.4542802     8.415332       0.6418472     8.369535       0.6430529     347.0672 13.39307 346.1025 13.45563 0.9646912      18.98495 
1 1 1 6  4  32  o 295.6980 9.366448 6.073504       0.3824382     6.103517       0.5403339     6.043377       0.5413662     295.5367 13.24076 294.0524 13.33302 1.484283       18.79061 
1 1 1 6  4  33  o 90.22974 10.77483 0.5746160      0.1315897     0.5386901      0.2082325     0.5985012      0.1697888     85.78236 18.14631 91.48690 13.87579 -5.704536      22.84351 
1 1 1 6  4  34  o 215.2662 10.18762 3.224082       0.3028213     3.339763       0.4796415     3.147411       0.3904860     217.2888 16.10063 211.6856 13.42860 5.603210       20.96563 
1 1 1 6  4  35  o 99.38611 9.797504 0.6935723      0.1327066     0.5934964      0.1865743     0.7960461      0.1887963     90.67851 15.45497 105.8757 13.20072 -15.19717      20.32524 
1 1 1 6  4  36  f 418.6096 9.605628 12.18929       0.5552301     12.38692       0.7876039     11.99405       0.7828456     420.4322 13.56669 413.6482 13.70588 6.783997       19.28487 
1 1 1 6  4  37  o 263.9001 9.325891 4.843410       0.3398348     4.876562       0.4815204     4.810512       0.4796829     263.5030 13.27664 261.6937 13.31864 1.809265       18.80573 
1 1 1 6  4  38  o 253.9862 9.345221 4.487484       0.3277462     4.433537       0.4640742     4.541166       0.4629342     251.1104 13.43265 254.2145 13.23379 -3.104141      18.85655 
1 1 1 6  4  39  o 173.4440 9.384826 2.099182       0.2239262     2.223194       0.3183500     1.977739       0.3150348     177.6438 13.07007 167.3123 13.75808 10.33148       18.97660 
1 1 1 6  4  40  f 160.2982 9.446978 1.794547       0.2081782     1.701627       0.2946596     1.887152       0.2941580     155.0392 13.91192 163.5443 13.13674 -8.505020      19.13415 
1 1 1 6  4  41  o 198.7737 9.374458 2.750063       0.2573019     2.932825       0.3657050     2.570905       0.3620819     204.1086 13.04390 190.8125 13.83641 13.29607       19.01551 
1 1 1 6  4  42  f 254.7383 9.384235 4.516613       0.3300890     4.653831       0.4691783     4.382125       0.4644897     257.2249 13.25458 249.4854 13.53383 7.739471       18.94330 
1 1 1 6  4  43  o 90.85819 10.08333 0.5821034      0.1243710     0.6333040      0.1764536     0.5315551      0.1753261     93.95959 14.03024 85.59479 15.40038 8.364807       20.83313 
1 1 1 6  4  44  o 259.2093 8.677862 4.670151       0.3105999     4.713082       0.4119218     4.613578       0.4728671     259.7443 11.48499 256.1099 13.41801 3.634430       17.66205 
1 1 1 6  4  45  o 101.7940 8.380221 0.7246099      0.1167455     0.7322195      0.1656167     0.7170940      0.1645941     101.6559 12.03213 100.5741 12.09445 1.081779       17.06013 
1 1 1 6  4  46  f 67.60339 9.215825 0.3235930      0.8378656E-01 0.3277793      0.1193649     0.3195271      0.1176382     67.25183 13.32499 66.38512 13.29688 0.8667145      18.82451 
1 1 1 6  4  47  o 167.8464 8.741211 1.962969       0.2018911     2.081152       0.2680195     1.807949       0.3069602     172.3163 11.32736 159.8954 14.04535 12.42091       18.04387 
1 1 1 6  4  48  o 248.5479 9.422225 4.296749       0.3233713     4.120543       0.4569279     4.473554       0.4577054     242.0289 13.72885 252.3938 13.17888 -10.36490      19.03062 
1 1 1 6  4  49  o 346.6995 9.518474 8.360173       0.4556785     8.170107       0.7860753     8.456367       0.5592256     340.1334 16.73697 348.0572 11.63586 -7.923798      20.38429 
1 1 1 6  4  50  o 93.41307 9.917907 0.6138567      0.1259712     0.5630115      0.2186986     0.6391019      0.1541031     87.51984 18.66633 94.93573 12.02516 -7.415886      22.20442 
1 1 1 6  4  51  o 110.6874 9.013683 0.8567984      0.1365683     0.8670883      0.1818002     0.8434712      0.2068984     110.8006 12.07834 108.8202 14.10077 1.980362       18.56659 
1 1 1 6  4  52  o 156.3128 8.727631 1.702141       0.1876253     1.609874       0.2484266     1.824653       0.2862622     151.3987 11.98120 161.0111 12.98612 -9.612473      17.66886 
1 1 1 6  4  53  o 64.01507 9.363523 0.2907422      0.8032027E-01 0.2948003      0.1129237     0.2865869      0.1142683     63.76305 13.25791 62.80521 13.57232 0.9578400      18.97314 
1 1 1 6  4  54  o 98.14857 9.322007 0.6754672      0.1248208     0.6965744      0.1657502     0.6478156      0.1897132     99.11692 12.38070 94.95374 14.96478 4.163185       19.42232 
1 1 1 6  4  55  o 97.90096 9.810781 0.6731986      0.1308412     0.6806215      0.1842161     0.6656419      0.1858699     97.58344 14.07868 96.40866 14.40391 1.174774       20.14155 
1 1 1 6  4  56  o 136.3719 8.862589 1.297222       0.1659818     1.191555       0.2515523     1.378702       0.2208924     129.5913 14.29563 140.1285 11.51801 -10.53716      18.35836 
1 1 1 6  4  57  o 198.6761 8.770770 2.741865       0.2406142     2.933445       0.3712322     2.603079       0.3159688     204.3010 13.23050 192.7290 11.93164 11.57201       17.81601 
1 1 1 6  4  58  o 162.1086 9.705289 1.834638       0.2162474     1.772862       0.3060122     1.896259       0.3056281     158.3623 14.14305 163.9547 13.62331 -5.592361      19.63722 
1 1 1 6  4  59  o 98.69992 9.557177 0.6839175      0.1286206     0.6788721      0.1691901     0.6908259      0.1979775     97.68109 12.85603 98.02005 15.11306 -0.3389587     19.84143 
1 1 1 6  4  60  o 264.8118 8.207521 4.870203       0.3001147     4.989890       0.4247168     4.750842       0.4241363     267.2872 11.50756 260.7342 11.78066 6.553009       16.46839 
1 1 1 6  4  61  o 149.0865 8.363842 1.549120       0.1714845     1.571405       0.2426386     1.526879       0.2423929     149.4594 11.85433 147.2737 12.02439 2.185684       16.88523 
1 1 1 6  4  62  o 91.31938 9.177166 0.5860398      0.1141540     0.5953835      0.1615846     0.5767298      0.1612919     91.21432 13.21405 89.69468 13.43656 1.519638       18.84548 
1 1 1 6  4  63  o 214.9839 8.225768 3.212249       0.2441858     3.118571       0.3440555     3.307328       0.3466204     210.7509 11.87117 217.1343 11.60280 -6.383423      16.59968 
1 1 1 6  4  64  o 135.4011 8.539956 1.280235       0.1588492     1.268308       0.2244337     1.292208       0.2248604     133.9649 12.26903 135.2557 12.17011 -1.290787      17.28122 
1 1 1 6  4  65  o 162.3007 8.402307 1.837386       0.1876577     1.716695       0.2644186     1.959864       0.2663684     155.9258 12.38301 166.8741 11.63270 -10.94838      16.98996 
1 1 1 6  4  66  o 186.8939 8.297848 2.430519       0.2141404     2.343882       0.3020179     2.518106       0.3036694     182.3651 12.06181 189.1654 11.68295 -6.800308      16.79222 
1 1 1 6  4  67  o 63.50058 10.76887 0.2897170      0.9105083E-01 0.2838664      0.1290677     0.2955132      0.1284651     62.07595 15.18315 63.36455 14.92798 -1.288597      21.29255 
1 1 1 6  4  68  o 84.55927 9.487746 0.5051018      0.1088692     0.5193952      0.1541970     0.4908943      0.1537326     84.78986 13.63216 82.27287 14.03590 2.516983       19.56636 
1 1 1 6  4  69  o 99.60200 9.801663 0.6995460      0.1330588     0.8332771      0.1750850     0.5167165      0.2047179     108.2916 11.90545 83.28950 18.30010 25.00211       21.83194 
1 1 1 6  4  70  o 150.4044 9.231749 1.584400       0.1907996     1.643953       0.2512367     1.503249       0.2932782     152.4695 12.03109 144.8466 14.87457 7.622986       19.13113 
1 1 1 6  4  71  o 260.2466 9.679861 4.732249       0.3478501     4.554931       0.6020153     4.821120       0.4261971     251.4577 17.44614 261.9302 11.78384 -10.47256      21.05296 
1 1 1 6  4  72  o 64.30538 13.45741 0.3025872      0.1156579     0.3928735      0.1968187     0.2549650      0.1429420     72.41229 19.32455 58.90711 16.76877 13.50518       25.58574 
1 1 1 6  4  73  o 80.88750 10.50067 0.4656034      0.1145164     0.4919735      0.1542131     0.4331861      0.1709836     82.27663 14.08016 76.43785 16.66936 5.838783       21.82014 
1 1 1 6  4  74  f 179.3344 8.463494 2.241844       0.2095807     2.214147       0.2955652     2.269853       0.2972256     176.9303 12.17204 179.1831 12.08356 -2.252884      17.15142 
1 1 1 6  4  75  o 38.77506 12.47757 0.1035873      0.7587859E-01 0.1155158      0.1080499     0.9198066E-01  0.1065823     42.52753 14.89915 39.94381 14.69654 2.583721       20.92781 
1 1 1 6  4  76  o 48.92052 13.30205 0.1748525      0.9222449E-01 0.2122171      0.1238318     0.1283155      0.1381978     53.93115 15.68611 46.09394 16.76877 7.837215       22.96183 
1 1 1 6  4  77  o 72.45987 12.10721 0.3792875      0.1168635     0.4979909      0.1634765     0.2552283      0.1671238     82.49393 14.89976 59.32685 18.44625 23.16708       23.71217 
1 1 1 6  4  78  o 71.95253 11.83777 0.3735280      0.1135214     0.5173767      0.1694153     0.2563062      0.1529339     84.03189 15.15829 59.09930 17.50127 24.93259       23.15314 
1 1 1 6  4  79  o 119.8656 10.10218 1.013345       0.1656460     1.308143       0.2559684     0.8009349      0.2172760     135.1227 13.91807 104.9129 15.46198 30.20984       20.80350 
1 1 1 6  4  80  o 153.8569 9.661107 1.662946       0.2042075     1.814996       0.2683085     1.453609       0.3148224     159.9517 12.24100 141.4975 16.41823 18.45418       20.47927 
1 1 1 6  4  81  o 132.6868 9.954995 1.240322       0.1810630     1.234141       0.2353478     1.249285       0.2834258     131.3903 13.14857 131.1577 15.98010 0.2325439      20.69417 
1 1 1 6  4  82  f 116.8083 9.671025 0.9620923      0.1545825     0.9954167      0.2179707     0.9283724      0.2192602     117.6372 13.67396 113.3354 14.33085 4.301796       19.80784 
1 1 1 6  4  83  o 114.0374 9.704280 0.9180412      0.1513561     0.8835935      0.2117335     0.9540385      0.2164437     110.4918 14.20694 114.9760 13.91664 -4.484200      19.88743 
1 1 1 6  4  84  o 130.1471 9.492845 1.193890       0.1694196     1.299119       0.2379936     1.085779       0.2412301     134.6400 12.96142 122.3900 14.55975 12.24999       19.49320 
1 1 1 6  4  85  o 143.4078 9.265205 1.448620       0.1824893     1.411416       0.2563264     1.486860       0.2598676     140.0394 13.42013 143.8424 13.23196 -3.803024      18.84634 
1 1 1 6  4  86  o 88.35570 10.98886 0.5603301      0.1311718     0.7590351      0.1849739     0.3593268      0.1860405     102.1708 13.43723 68.47671 19.00456 33.69409       23.27514 
1 1 1 6  4  87  o 118.5978 9.885209 0.9994525      0.1604080     0.8188583      0.2255285     1.184346       0.2281973     104.8124 16.09772 127.8629 13.11032 -23.05050      20.76096 
1 1 1 6  4  88  o 85.65765 11.49626 0.5320021      0.1325437     0.5237697      0.1873106     0.5402582      0.1875798     82.83460 16.94736 84.26259 16.71198 -1.427986      23.80133 
1 1 1 6  4  89  o 134.4061 9.782576 1.287518       0.1803101     1.279776       0.2555705     1.295191       0.2544273     131.7285 14.27916 132.6248 14.10985 -0.8963013     20.07442 
1 1 1 6  4  90  f 89.87366 12.53538 0.5948628      0.1513286     0.7311035      0.1984149     0.4054082      0.2339771     98.53013 15.06207 70.58888 21.80606 27.94125       26.50227 
1 1 1 6  4  91  o 81.65157 16.57861 0.5185288      0.1805356     0.5601333      0.3001080     0.4949341      0.2260026     80.40246 24.67277 77.58459 20.70912 2.817863       32.21200 
1 1 1 6  4  92  o 89.63301 14.10450 0.6075844      0.1687996     0.6950981      0.3094904     0.5705281      0.2013910     88.92555 24.44631 84.73508 17.77937 4.190468       30.22793 
1 1 1 6  4  93  o 84.31960 12.74641 0.5323197      0.1437756     0.7035431      0.1920396     0.3139409      0.2168774     95.83311 15.00468 62.13935 21.13674 33.69376       25.92107 
1 1 1 6  4  94  o 82.45815 12.08437 0.5068898      0.1335097     0.5118269      0.1870239     0.5017593      0.1906510     79.89307 17.44232 78.78728 17.92792 1.105789       25.01289 
1 1 1 6  4  95  o 64.09341 13.55236 0.3160244      0.1161914     0.3836388      0.1631861     0.2464983      0.1654769     68.93590 17.19960 55.70539 18.45862 13.23050       25.22988 
1 1 1 6  4  96  o 66.95654 13.58790 0.3450603      0.1213340     0.4815168      0.1715625     0.2085094      0.1716219     77.72437 16.49594 52.39978 18.73613 25.32459       24.96314 
1 1 1 6  4  97  o 24.67748 11.09414 -0.2950730E-01 0.7902928E-01 0.5878443E-01  0.1044675     -0.1476427     0.1208402     35.31656 14.13223 25.32016 12.12465 9.996399       18.62062 
1 1 1 6  4  98  o 68.83053 15.13291 0.3729568      0.1399101     0.4014776      0.1994078     0.3453031      0.1963532     68.89328 19.86726 64.06287 20.00679 4.830414       28.19538 
1 1 1 6  4  99  o 55.59219 15.73084 0.2454124      0.1261833     0.2456602      0.2024343     0.2452549      0.1613683     56.02606 20.30843 55.37938 18.22215 0.6466827      27.28514 
1 1 1 6  4  100 o 56.86648 16.85847 0.2596699      0.1418484     0.3389986      0.1905160     0.1609911      0.2124851     63.66153 19.67867 50.56572 20.18254 13.09581       28.18838 
1 1 1 6  4  101 f 131.5714 11.46844 1.276733       0.2062714     1.200355       0.2705683     1.382728       0.3187386     123.7627 16.22319 131.1333 18.08402 -7.370552      24.29452 
1 1 1 6  4  102 o 100.2915 12.03893 0.7518141      0.1633894     0.6325999      0.2313508     0.8704460      0.2307852     86.52174 19.79373 104.7416 16.50322 -18.21984      25.77107 
1 1 1 6  4  103 o 125.8985 10.91118 1.169518       0.1878082     1.237046       0.2664546     1.102848       0.2647552     125.3705 15.73869 117.3239 16.82410 8.046684       23.03816 
1 1 1 6  4  104 o 131.2837 10.63026 1.273923       0.1910506     1.203507       0.2708779     1.343625       0.2695002     122.2445 16.46636 130.5140 15.24129 -8.269547      22.43742 
1 1 1 6  4  105 o 109.9485 11.24869 0.9104648      0.1683723     0.7407121      0.2382533     1.079823       0.2379758     91.98362 19.37026 116.0479 15.21787 -24.06427      24.63312 
1 1 1 6  4  106 f 47.37589 15.45505 0.1855121      0.1161732     0.3817785E-01  0.1654885     0.3286669      0.1631245     38.15714 16.65106 60.61888 18.10326 -22.46174      24.59645 
1 1 1 6  4  107 o 29.22023 12.75762 0.7950492E-02  0.9725549E-01 -0.1059361E-02 0.1381617     0.1680000E-01  0.1369267     33.10069 14.78989 33.98814 14.97951 -0.8874588     21.05057 
1 1 1 6  4  108 o 31.48196 13.40640 0.3643748E-01  0.1023067     0.7370151E-01  0.1463548     0.8282850E-03  0.1430682     37.51345 16.00628 33.07944 14.89391 4.434006       21.86389 
1 1 1 6  4  109 o 47.56989 16.21953 0.2152618      0.1277100     0.5539694E-01  0.1677060     0.4359365      0.1970373     36.72444 16.36011 62.69833 20.09963 -25.97389      25.91618 
1 1 1 6  4  110 o 47.73381 17.74736 0.2529537      0.1561808     0.1132473      0.2488917     0.3436957      0.2005886     40.13746 18.64867 51.94958 19.93362 -11.81212      27.29692 
1 1 1 6  4  111 f 22.50606 10.96552 -0.1181043     0.1100067     -0.1807168     0.1765344     -0.7835684E-01 0.1406545     26.72554 13.19446 26.81945 12.90453 -0.9391212E-01 18.45591 
1 1 1 6  4  112 o 18.87762 9.445838 -0.1943312     0.1034319     -0.3603668     0.1523508     -0.5237225E-01 0.1408722     20.47351 10.38993 26.33704 12.73230 -5.863535      16.43357 
1 1 1 6  4  113 o 20.31496 10.09890 -0.1325763     0.1102443     -0.2293132     0.1615200     -0.4820385E-01 0.1508449     22.08355 11.14834 25.23486 12.40790 -3.151310      16.68057 
1 1 1 6  4  114 o 21.91547 10.86340 -0.5453305E-01 0.1240730     0.1105932      0.1822476     -0.1971794     0.1693886     27.08894 13.37994 21.36443 10.85362 5.724514       17.22857 
1 1 1 6  4  115 o 19.91306 10.01405 -0.4771748E-01 0.1235992     -0.9073839E-01 0.1809605     -0.1009739E-01 0.1692208     20.71208 10.58393 21.53312 10.92997 -0.8210468     15.21459 
1 1 1 6  4  116 o 21.35209 10.92190 0.3053613      0.1971222     0.4359640      0.2443251     0.6181860E-01  0.3336411     21.37343 10.99854 19.15536 9.951536 2.218079       14.83243 
1 1 1 6  4  117 o 15.69896 8.140230 -0.2854314E-01 0.1879919     -0.4824953     0.2630870     0.4450711      0.2687241     14.82894 7.717939 17.13502 8.902535 -2.306071      11.78226 
1 1 1 6  4  118 o 13.92249 7.250055 0.5108180      0.3762527     0.000000       0.000000      0.5108180      0.3762527     ?        ?        13.92249 7.250055 0.000000       7.250055 
1 1 1 6  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  0   o 219.0065 23.58818 3.462731       0.6923949     3.462731       0.6923949     0.000000       0.000000      219.0065 23.58818 219.0065 23.58818 -0.000000      0.000000 
1 1 1 6  5  1   o 339.2995 16.23676 8.038838       0.7607127     8.490933       1.084381      7.600759       1.067440      346.1171 22.81727 327.0173 23.80265 19.09982       32.97262 
1 1 1 6  5  2   o 124.2143 11.51021 1.080377       0.1951772     1.137882       0.2264104     0.9140127      0.3851002     127.2540 13.07076 111.3629 25.58177 15.89112       28.72755 
1 1 1 6  5  3   o 123.2533 11.36022 1.063528       0.1911645     1.047730       0.2206709     1.111037       0.3826768     122.0106 13.31427 123.5019 23.29407 -1.491348      26.83064 
1 1 1 6  5  4   o 181.9848 11.24247 2.307870       0.2811269     2.408501       0.3245440     2.005432       0.5626363     185.6866 12.73465 166.3853 25.28509 19.30132       28.31090 
1 1 1 6  5  5   o 191.2922 11.23284 2.549130       0.2954032     2.449851       0.3397343     2.856819       0.5980897     187.1909 13.22886 200.1564 22.00327 -12.96550      25.67385 
1 1 1 6  5  6   f 120.0059 11.42431 1.008979       0.1870238     1.030279       0.2158798     0.9448959      0.3744469     120.9986 13.13171 113.3822 24.62232 7.616402       27.90520 
1 1 1 6  5  7   o 140.4755 13.12437 1.384679       0.2516263     1.347716       0.3075677     1.459492       0.4375714     137.9304 16.47492 141.9980 23.11156 -4.067581      28.38252 
1 1 1 6  5  8   o 159.4381 13.11649 1.780531       0.2862060     1.907763       0.3509746     1.527994       0.4944713     164.5964 15.63001 144.6207 25.70300 19.97571       30.08224 
1 1 1 6  5  9   o 276.1401 13.08335 5.306494       0.4988690     5.206784       0.6093404     5.509189       0.8687816     272.4801 16.26950 278.2728 22.81057 -5.792694      28.01819 
1 1 1 6  5  10  o 154.6680 13.06912 1.676463       0.2765030     1.681466       0.3374650     1.666244       0.4823098     154.3197 16.07272 151.6607 23.81583 2.658966       28.73197 
1 1 1 6  5  11  o 180.4557 13.05441 2.278070       0.3230906     2.327587       0.3946036     2.177360       0.5627602     181.8542 15.87358 173.6800 24.11666 8.174255       28.87186 
1 1 1 6  5  12  o 190.6441 16.12697 2.558525       0.4205542     2.403235       0.5890205     2.720011       0.6006573     182.6160 23.93525 194.8224 22.75682 -12.20639      33.02679 
1 1 1 6  5  13  o 198.3898 16.16406 2.770032       0.4389507     2.827473       0.6168545     2.711109       0.6247610     198.5898 22.91572 194.1280 23.80596 4.461761       33.04322 
1 1 1 6  5  14  o 145.1095 16.34684 1.491414       0.3218371     1.447619       0.4517016     1.536571       0.4586711     140.9280 24.07690 145.4119 23.65682 -4.483932      33.75414 
1 1 1 6  5  15  f 225.5041 16.14973 3.576348       0.4995430     0.000000       0.000000      3.576348       0.4995430     ?        ?        225.5041 16.14973 0.000000       16.14973 
1 1 1 6  5  16  o 57.65916 16.32041 0.2389796      0.1357988     0.000000       0.000000      0.2389796      0.1357988     ?        ?        57.65916 16.32041 0.000000       16.32041 
1 1 1 6  5  17  o 255.8701 16.21052 4.604591       0.5697764     0.000000       0.000000      4.604591       0.5697764     ?        ?        255.8701 16.21052 0.000000       16.21052 
1 1 1 6  5  18  o 90.80553 23.18751 0.6090752      0.2917592     0.000000       0.000000      0.6090752      0.2917592     ?        ?        90.80553 23.18751 0.000000       23.18751 
1 1 1 6  5  19  o 161.0790 13.12434 1.821513       0.2893759     1.951986       0.3558950     1.566972       0.4970959     166.2141 15.69227 145.9056 25.60753 20.30852       30.03319 
1 1 1 6  5  20  o 153.4835 13.15160 1.655587       0.2760342     1.597255       0.3385634     1.771240       0.4767230     149.9427 16.63245 156.1952 22.77338 -6.252533      28.20045 
1 1 1 6  5  21  o 134.2416 11.47240 1.263665       0.2106144     1.317945       0.2979400     1.209448       0.2977676     136.1126 16.16856 130.1133 16.97834 5.999313       23.44539 
1 1 1 6  5  22  o 120.4555 11.56719 1.019782       0.1900285     0.9310204      0.2681453     1.109336       0.2693405     113.6872 17.65392 124.7234 16.00877 -11.03618      23.83153 
1 1 1 6  5  23  o 300.3181 11.47867 6.283648       0.4760046     6.491074       0.6758369     6.079462       0.6705387     303.4759 16.18643 293.5100 16.61301 9.965881       23.19467 
1 1 1 6  5  24  o 197.7793 11.43606 2.734551       0.3109839     2.675470       0.4402721     2.793378       0.4393246     194.3068 16.56777 198.6950 16.15237 -4.388123      23.13850 
1 1 1 6  5  25  o 354.7117 11.61068 8.772048       0.5686844     8.796507       0.8057256     8.747770       0.8027649     353.4552 16.50877 352.4810 16.49357 0.9741821      23.33619 
1 1 1 6  5  26  o 195.9395 11.42048 2.685439       0.3076503     2.660271       0.4356921     2.710467       0.4344768     193.6813 16.44677 195.5773 16.23507 -1.895966      23.11004 
1 1 1 6  5  27  o 159.2911 11.48351 1.778666       0.2508889     1.790070       0.3551965     1.767312       0.3544258     158.5598 16.46324 157.5170 16.54226 1.042831       23.33848 
1 1 1 6  5  28  o 75.88173 12.53219 0.4127890      0.1267271     0.4603994      0.1803637     0.3663681      0.1780962     79.30325 16.98298 70.59624 18.16467 8.707008       24.86718 
1 1 1 6  5  29  o 227.9893 11.37149 3.627089       0.3579891     3.633341       0.5071601     3.620880       0.5053907     226.3687 16.33496 225.9890 16.30529 0.3797150      23.08015 
1 1 1 6  5  30  o 256.2576 11.43215 4.584031       0.4045223     4.339816       0.5704338     4.831086       0.5737424     247.2411 16.80867 261.2548 15.98115 -14.01372      23.19328 
1 1 1 6  5  31  o 182.9245 11.46938 2.345454       0.2882356     2.323064       0.4076433     2.367840       0.4076101     180.6002 16.52982 182.4031 16.35740 -1.802826      23.25510 
1 1 1 6  5  32  o 179.0461 11.52039 2.248224       0.2833078     2.153561       0.3996586     2.343840       0.4016643     173.6794 16.87808 181.4828 16.19866 -7.803391      23.39372 
1 1 1 6  5  33  o 278.6940 11.55332 5.427231       0.4446028     5.375831       0.6271568     5.479162       0.6303824     275.1754 16.58296 277.8517 16.50470 -2.676300      23.39658 
1 1 1 6  5  34  o 167.3222 11.63132 1.966054       0.2670624     1.901864       0.3763441     2.031165       0.3790367     163.0168 16.96782 168.6822 16.48391 -5.665329      23.65642 
1 1 1 6  5  35  o 360.1333 10.47883 9.045054       0.5210915     9.062146       0.8216952     9.033556       0.6739444     357.7581 16.63349 358.6722 13.60781 -0.9141541     21.49059 
1 1 1 6  5  36  o 328.3890 9.501771 7.507076       0.4308550     7.457673       0.6074467     7.557094       0.6112129     325.9460 13.49660 328.1139 13.49056 -2.167847      19.08281 
1 1 1 6  5  37  o 159.5359 9.472371 1.777622       0.2077321     1.715308       0.2927408     1.840827       0.2948255     155.7130 13.75657 161.4617 13.34340 -5.748688      19.16480 
1 1 1 6  5  38  o 258.5410 9.415096 4.651515       0.3361183     4.752122       0.4748774     4.550511       0.4758100     259.9931 13.27183 254.2906 13.60009 5.702484       19.00274 
1 1 1 6  5  39  o 216.2417 9.371300 3.253344       0.2798191     3.215464       0.3947008     3.291618       0.3967552     213.7131 13.44367 216.2663 13.35135 -2.553116      18.94705 
1 1 1 6  5  40  o 125.0445 9.596252 1.094397       0.1644293     1.044445       0.2316513     1.145121       0.2334352     121.1785 14.10841 127.1032 13.50762 -5.924667      19.53210 
1 1 1 6  5  41  f 123.8347 9.617450 1.073413       0.1631624     1.077404       0.2299448     1.069367       0.2315565     123.1996 13.75150 122.6933 13.91380 0.5062256      19.56266 
1 1 1 6  5  42  o 347.9484 10.49477 8.436472       0.5042267     8.106449       0.6466430     8.948401       0.8053742     339.9435 13.77590 355.9987 16.38367 -16.05518      21.40561 
1 1 1 6  5  43  o 190.9130 10.38402 2.546105       0.2727110     2.416178       0.3495311     2.748254       0.4359847     185.1410 13.77095 196.7738 16.18960 -11.63283      21.25423 
1 1 1 6  5  44  o 347.3641 9.531240 8.391814       0.4571642     8.453608       0.6473199     8.330321       0.6457387     347.3705 13.49547 344.8032 13.56274 2.567352       19.13311 
1 1 1 6  5  45  o 213.9501 10.36457 3.187322       0.3061975     2.600339       0.4798154     3.590601       0.3977074     190.6903 18.45327 226.2378 12.78327 -35.54755      22.44850 
1 1 1 6  5  46  o 85.34286 12.66730 0.5197927      0.1447456     0.5428388      0.2074397     0.4979247      0.2020682     86.05750 18.03385 82.31631 18.25591 3.741196       25.66122 
1 1 1 6  5  47  o 312.3078 10.38439 6.790493       0.4478183     6.658913       0.5790380     6.986325       0.7064064     308.3516 13.59950 314.4650 16.32453 -6.113434      21.24704 
1 1 1 6  5  48  o 200.7831 10.40404 2.813963       0.2874586     2.906658       0.3716985     2.676021       0.4534325     203.3765 13.30926 193.9893 17.10266 9.387131       21.67112 
1 1 1 6  5  49  o 66.70794 12.49717 0.3207372      0.1108837     0.3567973      0.1436639     0.2676021      0.1743914     69.94296 15.30089 61.30149 18.80739 8.641468       24.24531 
1 1 1 6  5  50  o 228.3310 11.53898 3.645562       0.3626269     3.798470       0.5126846     3.492477       0.5129793     231.7093 16.12439 221.8809 16.86969 9.828430       23.33629 
1 1 1 6  5  51  o 81.43604 11.53455 0.4714766      0.1260779     0.5155225      0.1934769     0.4389691      0.1662144     83.98572 17.26045 77.59820 16.04238 6.387520       23.56440 
1 1 1 6  5  52  o 266.8638 9.501301 4.951878       0.3501151     4.770223       0.4943593     5.134682       0.4959193     260.5585 13.78948 270.8387 13.26058 -10.28015      19.13094 
1 1 1 6  5  53  f 87.58838 11.84204 0.5449719      0.1395504     0.4945260      0.2232202     0.5773379      0.1787986     81.76462 19.94813 89.49623 14.99916 -7.731613      24.95802 
1 1 1 6  5  54  o 70.86897 12.69020 0.3615865      0.1196228     0.3319610      0.1927657     0.3801401      0.1525493     67.51694 19.55191 72.12207 15.75857 -4.605133      25.11194 
1 1 1 6  5  55  o 110.2255 10.07505 0.8529145      0.1516486     0.8901079      0.2148810     0.8160089      0.2140484     111.7306 14.25263 106.7371 14.93183 4.993446       20.64212 
1 1 1 6  5  56  o 232.5609 8.780780 3.759617       0.2819731     3.966880       0.3742849     3.487594       0.4287895     238.3371 11.37294 222.4000 14.03475 15.93704       18.06427 
1 1 1 6  5  57  o 136.1051 8.407988 1.292042       0.1572434     1.360876       0.2234543     1.224522       0.2213127     139.0440 11.74852 131.7165 12.31102 7.327576       17.01731 
1 1 1 6  5  58  o 191.1888 8.240406 2.540006       0.2175449     2.562729       0.3084759     2.517524       0.3068406     191.0628 11.74945 189.3525 11.79411 1.710281       16.64784 
1 1 1 6  5  59  o 103.4534 8.746777 0.7496817      0.1237776     0.8253821      0.1758170     0.6752916      0.1742888     107.9387 11.99939 97.19317 13.33835 10.74551       17.94149 
1 1 1 6  5  60  o 72.09679 10.03862 0.3693385      0.9722573E-01 0.3599966      0.1380926     0.3785213      0.1369109     70.17727 14.72055 72.09586 14.25788 -1.918594      20.49345 
1 1 1 6  5  61  o 176.2312 8.297970 2.160190       0.2019262     2.188516       0.2861373     2.132088       0.2849997     176.3372 11.81987 174.0072 11.93359 2.330002       16.79643 
1 1 1 6  5  62  o 82.70814 9.249345 0.4826126      0.1038237     0.4366519      0.1463318     0.5292032      0.1473311     77.50715 14.19600 85.86742 12.81847 -8.360268      19.12693 
1 1 1 6  5  63  o 78.87189 9.465880 0.4400171      0.1010318     0.4871302      0.1418060     0.3914486      0.1439797     82.26605 12.90835 73.13152 14.76667 9.134529       19.61326 
1 1 1 6  5  64  f 101.5524 8.940768 0.7242582      0.1240943     0.7546305      0.1747255     0.6933442      0.1762766     102.8552 12.56361 98.32964 13.32625 4.525528       18.31484 
1 1 1 6  5  65  o 224.0765 8.308722 3.496083       0.2570802     3.551555       0.3639789     3.440860       0.3631551     224.6011 11.77721 221.0024 11.94463 3.598633       16.77429 
1 1 1 6  5  66  o 140.1871 9.234066 1.377120       0.1777463     1.362326       0.2340674     1.397272       0.2731841     138.6278 12.35750 139.7835 14.35739 -1.155746      18.94313 
1 1 1 6  5  67  o 53.63729 13.17576 0.2109066      0.9687901E-01 0.2530547      0.1411762     0.1733934      0.1331877     58.70667 16.64861 50.18425 16.55677 8.522415       23.47984 
1 1 1 6  5  68  o 139.5068 10.06616 1.368029       0.1926061     1.305920       0.3377573     1.397959       0.2344649     133.3731 18.86640 140.4509 12.21122 -7.077820      22.47343 
1 1 1 6  5  69  o 102.6964 10.26369 0.7452049      0.1435955     0.7383106      0.2067163     0.7516339      0.1996191     100.8355 15.32925 101.9858 14.59090 -1.150284      21.16318 
1 1 1 6  5  70  o 112.0472 9.530718 0.8833421      0.1460563     0.8476487      0.1968745     0.9270341      0.2178196     108.7553 13.39294 113.5534 14.20244 -4.798027      19.52127 
1 1 1 6  5  71  o 214.5436 8.420866 3.208383       0.2494654     3.038101       0.3521410     3.379940       0.3534572     207.2946 12.35859 218.9317 11.73476 -11.63712      17.04228 
1 1 1 6  5  72  o 64.34583 11.57066 0.2995168      0.9902590E-01 0.2529464      0.1325917     0.3582575      0.1489123     58.54506 15.96252 69.53333 15.86062 -10.98827      22.50247 
1 1 1 6  5  73  o 118.8576 10.21362 0.9964537      0.1659989     1.011147       0.2309817     0.9807582      0.2387255     118.5253 14.40974 116.4402 15.21118 2.085136       20.95282 
1 1 1 6  5  74  o 45.39941 13.08317 0.1490963      0.8650208E-01 0.1311924      0.1198620     0.1685563      0.1249622     45.01209 15.69676 49.19757 16.02803 -4.185478      22.43404 
1 1 1 6  5  75  o 99.32874 11.01113 0.7009297      0.1484826     0.8187728      0.2503109     0.6369506      0.1844365     105.2723 17.85800 93.57928 14.76289 11.69302       23.17005 
1 1 1 6  5  76  o 187.2590 9.293344 2.451133       0.2402994     2.350268       0.3676504     2.526361       0.3175066     181.1067 14.83159 188.8917 12.23896 -7.784988      19.22936 
1 1 1 6  5  77  o 168.8304 10.34702 2.005990       0.2400511     2.202573       0.3378664     1.805597       0.3411242     175.5700 14.05442 158.1299 15.83571 17.44009       21.17301 
1 1 1 6  5  78  o 63.52025 13.92791 0.2972629      0.1187966     0.3099147      0.1527920     0.2779242      0.1889029     64.44460 16.94521 61.84058 19.66518 2.604012       25.95880 
1 1 1 6  5  79  o 53.37219 13.18250 0.2098235      0.9657903E-01 0.2565247      0.1384847     0.1656017      0.1347583     58.82339 16.42200 49.28920 16.66179 9.534195       23.39439 
1 1 1 6  5  80  o 94.90802 10.18743 0.6393694      0.1314189     0.4708650      0.1861954     0.8066453      0.1855153     79.19941 17.49278 105.9153 12.95483 -26.71589      21.76752 
1 1 1 6  5  81  o 84.09071 10.97826 0.5063202      0.1244314     0.4748641      0.1768150     0.5371838      0.1751421     79.70419 16.60468 85.28388 15.44104 -5.579689      22.67468 
1 1 1 6  5  82  o 58.69517 12.50799 0.2535611      0.9827361E-01 0.1261437      0.1401648     0.3767590      0.1378245     45.73619 16.84968 71.30193 14.49265 -25.56574      22.22495 
1 1 1 6  5  83  o 95.31957 10.26228 0.6478121      0.1329428     0.5771712      0.1886414     0.7175142      0.1873839     87.91335 16.13433 99.06612 14.09594 -11.15278      21.42457 
1 1 1 6  5  84  o 78.53423 11.71721 0.4477819      0.1231757     0.4180244      0.1752800     0.4768147      0.1731331     73.92608 17.45120 79.45711 16.32609 -5.531029      23.89740 
1 1 1 6  5  85  o 165.0259 9.293460 1.926790       0.2109095     2.066368       0.3002650     1.790859       0.2963163     169.0270 12.96381 156.8040 13.82706 12.22304       18.95383 
1 1 1 6  5  86  o 127.5888 9.922641 1.161252       0.1734396     1.130800       0.2463157     1.191198       0.2442585     123.5699 14.72585 127.1842 14.14823 -3.614357      20.42114 
1 1 1 6  5  87  o 109.4766 11.44731 0.8692797      0.1704873     0.7958215      0.2237005     0.9710693      0.2633286     102.2058 16.40586 112.3830 17.54218 -10.17722      24.01833 
1 1 1 6  5  88  o 62.25584 15.04197 0.2985695      0.1278631     0.3202167      0.1682548     0.2689801      0.1967136     63.57228 18.22532 59.10564 20.13007 4.466644       27.15479 
1 1 1 6  5  89  o 69.19587 15.94337 0.3739083      0.1492016     0.3029445      0.2764944     0.4030610      0.1772181     62.83625 23.56398 70.92685 18.04998 -8.090595      29.68270 
1 1 1 6  5  90  o 78.21494 15.49957 0.4748822      0.1614797     0.5080881      0.2796340     0.4582690      0.1977915     76.17039 23.88987 74.86742 19.07771 1.302971       30.57262 
1 1 1 6  5  91  f 65.14197 14.08704 0.3272941      0.1230241     0.4668860      0.1665536     0.1596874      0.1825028     77.00145 16.17875 49.36601 18.99652 27.63544       24.95235 
1 1 1 6  5  92  o 30.87912 12.18094 0.4503487E-01  0.7656333E-01 0.4517586E-01  0.1049824     0.4487469E-01  0.1119024     34.28979 14.00429 35.03600 14.40084 -0.7462044     20.08741 
1 1 1 6  5  93  o 114.3675 10.38886 0.9533518      0.1622726     0.9679432      0.2316733     0.9392983      0.2273636     111.8873 15.40375 110.2343 15.35396 1.653000       21.74902 
1 1 1 6  5  94  o 39.71961 14.61653 0.1038217      0.1054312     0.1588858      0.1467127     0.4501844E-01  0.1516124     47.23569 17.26338 38.96597 16.44394 8.269730       23.84172 
1 1 1 6  5  95  o 46.03772 15.08166 0.1604947      0.1105845     0.2343781      0.1599270     0.9280401E-01  0.1530779     54.34490 18.15226 42.32348 17.04655 12.02142       24.90159 
1 1 1 6  5  96  o 49.62542 14.47708 0.1916228      0.1053376     0.1717931      0.1606815     0.2065680      0.1394948     48.90217 18.03695 51.44754 16.94285 -2.545364      24.74655 
1 1 1 6  5  97  o 32.29403 13.31102 0.3519746E-01  0.9593882E-01 0.8170535E-01  0.1449305     -0.1077868E-02 0.1279977     40.89513 16.54609 33.54545 14.64114 7.349678       22.09381 
1 1 1 6  5  98  o 81.60466 13.91014 0.5110238      0.1511209     0.6265754      0.1986612     0.3523279      0.2328134     88.61860 16.85078 64.26878 21.89934 24.34982       27.63205 
1 1 1 6  5  99  o 101.6359 12.47808 0.7746758      0.1714403     0.8310757      0.2260529     0.6983132      0.2630340     102.4288 16.54678 89.77254 21.50256 12.65626       27.13219 
1 1 1 6  5  100 o 102.7261 11.62428 0.7856366      0.1619846     0.9628211      0.2342995     0.6234037      0.2241961     110.6881 15.77607 86.07903 19.33464 24.60904       24.95421 
1 1 1 6  5  101 o 136.7218 10.34391 1.371901       0.1938362     1.798029       0.2794752     0.9769069      0.2690722     153.7516 13.29474 108.4019 18.64853 45.34978       22.90235 
1 1 1 6  5  102 o 77.65536 13.63621 0.4721025      0.1408841     0.5045880      0.2036516     0.4422868      0.1951036     75.96857 19.35824 70.98391 19.36693 4.984665       27.38283 
1 1 1 6  5  103 o 164.4758 9.877920 1.999047       0.2232998     2.342257       0.3199434     1.673083       0.3118012     173.3181 13.47469 143.0259 16.06584 30.29222       20.96851 
1 1 1 6  5  104 o 49.86208 15.42565 0.2098969      0.1170379     0.3058952      0.1700995     0.1235898      0.1612852     57.80553 18.69037 42.94003 17.42625 14.86551       25.55395 
1 1 1 6  5  105 o 41.39539 14.87603 0.1378276      0.1083188     0.7463093E-01  0.1560569     0.1965786      0.1504679     38.69595 16.52001 47.39884 17.45862 -8.702888      24.03568 
1 1 1 6  5  106 o 47.41843 15.31107 0.2010919      0.1141800     0.2185242      0.1636727     0.1845654      0.1593634     48.00555 18.10419 45.38031 17.67020 2.625244       25.29817 
1 1 1 6  5  107 o 63.82425 15.83422 0.3830456      0.1388771     0.5573109      0.1849434     0.1577337      0.2102933     74.31310 18.17412 42.82963 18.72797 31.48347       26.09666 
1 1 1 6  5  108 o 40.81583 16.57394 0.1671817      0.1459861     0.2085447      0.2395515     0.1427445      0.1841277     42.88458 19.29393 39.59411 17.41315 3.290466       25.98987 
1 1 1 6  5  109 o 33.59356 15.14565 0.8195455E-01  0.1485241     -0.1103654     0.2180845     0.2483161      0.2028333     30.32302 14.91155 41.81236 18.33510 -11.48935      23.63324 
1 1 1 6  5  110 o 35.39811 15.79757 0.1671811      0.1571269     -0.7259640E-02 0.2265937     0.3287497      0.2180732     30.52206 15.04605 40.44204 18.28176 -9.919977      23.67713 
1 1 1 6  5  111 o 29.84029 14.03866 0.1099677      0.1485082     0.9239860E-01  0.2147895     0.1260591      0.2055590     29.51023 14.56641 30.24510 14.79081 -0.7348671     20.75930 
1 1 1 6  5  112 f 22.70293 11.24378 -0.2157604E-01 0.1318388     0.4461929E-01  0.1911610     -0.8162345E-01 0.1820676     25.20064 12.64277 23.04121 11.65586 2.159431       17.19589 
1 1 1 6  5  113 o 13.17505 6.757268 -0.2507815     0.8076571E-01 -0.1344445     0.1256769     -0.3326313     0.1054157     18.10804 9.213997 14.28034 7.342043 3.827703       11.78148 
1 1 1 6  5  114 o 18.51179 9.468779 0.4441071E-01  0.1480642     -0.1054669     0.1928066     0.2598515      0.2311625     17.54264 9.058773 19.76370 10.19438 -2.221064      13.63770 
1 1 1 6  5  115 o 15.85471 8.216912 0.8672676E-01  0.1851685     -0.1264229     0.2837990     0.2447295      0.2443436     15.28833 7.957411 16.21944 8.428226 -0.9311161     11.59118 
1 1 1 6  5  116 o 13.50071 7.029615 0.1249693      0.2538301     0.000000       0.000000      0.1249693      0.2538301     ?        ?        13.50071 7.029615 0.000000       7.029615 
1 1 1 6  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  1   o 456.6666 24.68973 15.06336       1.551091      15.06336       1.551091      0.000000       0.000000      456.6666 24.68973 ?        ?        0.000000       24.68973 
1 1 1 6  6  2   o 190.8688 23.74579 2.651353       0.6123058     2.651353       0.6123058     0.000000       0.000000      190.8688 23.74579 ?        ?        0.000000       23.74579 
1 1 1 6  6  3   f 156.6056 16.52106 1.744345       0.3518676     1.744345       0.3518676     0.000000       0.000000      156.6056 16.52106 ?        ?        0.000000       16.52106 
1 1 1 6  6  4   o 169.9304 13.19015 2.030380       0.3070734     2.036227       0.3765365     2.018768       0.5306010     169.3796 16.30062 166.1568 23.80699 3.222794       28.85278 
1 1 1 6  6  5   o 131.9304 13.25009 1.228788       0.2381183     1.158003       0.2908128     1.372788       0.4147860     127.1268 16.99201 136.8306 22.75244 -9.703705      28.39722 
1 1 1 6  6  6   o 158.1418 13.21932 1.760433       0.2860175     1.895787       0.3501819     1.489185       0.4957273     163.5257 15.70155 141.3328 26.37166 22.19292       30.69207 
1 1 1 6  6  7   o 379.6961 13.41174 10.08570       0.7031682     9.456319       0.8504543     11.44566       1.250134      366.2889 16.81470 399.0143 22.78427 -32.72537      28.31708 
1 1 1 6  6  8   o 103.7745 13.54893 0.7658626      0.1895145     0.7687162      0.2312892     0.7600324      0.3305990     103.1919 16.81080 100.8474 24.07436 2.344421       29.36286 
1 1 1 6  6  9   o 201.1019 13.11961 2.839973       0.3623175     2.882581       0.4431474     2.754061       0.6292570     201.7824 16.03703 194.2880 23.96330 7.494400       28.83446 
1 1 1 6  6  10  o 86.54044 13.83494 0.5370808      0.1597548     0.5977294      0.1953852     0.4147575      0.2774824     90.86233 16.16536 75.96028 23.79352 14.90205       28.76544 
1 1 1 6  6  11  o 71.04083 12.28641 0.3622499      0.1161618     0.4145851      0.1626869     0.3078166      0.1659157     75.35816 16.12199 64.95677 17.91654 10.40139       24.10230 
1 1 1 6  6  12  o 76.07320 12.13552 0.4138672      0.1231923     0.4610509      0.1726025     0.3648722      0.1758842     79.51153 16.26918 70.47336 18.00766 9.038170       24.26855 
1 1 1 6  6  13  o 151.5084 11.37882 1.609910       0.2363134     1.563549       0.3324879     1.657237       0.3359339     148.0210 16.55057 152.5408 16.19665 -4.519775      23.15713 
1 1 1 6  6  14  o 60.20070 12.53330 0.2625842      0.1007980     0.2047264      0.1410469     0.3229755      0.1441020     54.04053 16.96971 66.41988 15.91955 -12.37935      23.26807 
1 1 1 6  6  15  o 109.2080 11.62428 0.8416064      0.1725960     1.001306       0.2441827     0.6821558      0.2439927     118.3742 15.29679 96.42353 19.00122 21.95063       24.39341 
1 1 1 6  6  16  o 159.6055 11.47056 1.786862       0.2511101     2.170900       0.3569597     1.410626       0.3533149     175.1124 14.90442 139.7649 18.78280 35.34752       23.97781 
1 1 1 6  6  17  o 528.6276 12.15920 19.53391       0.8875499     19.74468       1.256975      19.32433       1.253403      528.2007 17.23414 522.4434 17.37455 5.757324       24.47224 
1 1 1 6  6  18  f 264.6154 11.41335 4.888089       0.4170291     4.768374       0.5879011     5.009336       0.5916531     259.3184 16.50432 265.9449 16.18861 -6.626465      23.11847 
1 1 1 6  6  19  o 141.5857 11.58461 1.409142       0.2245014     1.518710       0.3174448     1.299507       0.3175410     145.8817 16.02295 134.3739 17.53156 11.50784       23.75059 
1 1 1 6  6  20  o 127.3114 11.62819 1.141355       0.2021606     1.179010       0.2854145     1.103444       0.2863846     128.1779 16.50972 123.7300 17.23004 4.447914       23.86305 
1 1 1 6  6  21  o 477.3160 11.95272 15.92936       0.7877903     15.95160       1.113234      15.90704       1.114976      474.6259 16.98623 473.9264 17.03792 0.6995239      24.05873 
1 1 1 6  6  22  o 357.0755 11.59121 8.909668       0.5715140     9.076285       0.8092356     8.743866       0.8072537     358.2776 16.35751 351.5156 16.63135 6.762024       23.32745 
1 1 1 6  6  23  o 291.3522 11.45075 5.931004       0.4606703     5.863923       0.6504626     5.998508       0.6525146     287.4557 16.45588 290.8113 16.31543 -3.355652      23.17303 
1 1 1 6  6  24  o 234.2596 11.54472 3.835282       0.3734381     3.603160       0.5257047     4.071721       0.5305716     224.8627 17.05825 239.4912 16.13822 -14.62851      23.48246 
1 1 1 6  6  25  o 340.1338 11.63789 8.086950       0.5465904     8.259877       0.7737833     7.914725       0.7722103     341.6848 16.40044 333.8842 16.80324 7.800598       23.48028 
1 1 1 6  6  26  o 506.0620 12.16906 17.92158       0.8503519     18.25887       1.208594      17.59093       1.196653      507.3804 17.25078 497.8940 17.40578 9.486389       24.50613 
1 1 1 6  6  27  o 210.8327 11.51433 3.114913       0.3339399     2.936224       0.4705101     3.296289       0.4740343     202.9328 16.94614 215.4322 16.05049 -12.49940      23.34073 
1 1 1 6  6  28  o 363.3748 11.71634 9.229206       0.5878749     8.929196       0.8275164     9.534884       0.8352994     355.0925 16.87708 367.1543 16.47614 -12.06180      23.58599 
1 1 1 6  6  29  f 131.1368 11.72429 1.211024       0.2100604     1.225506       0.2970985     1.196547       0.2970422     130.5877 16.87080 128.9418 17.10570 1.645813       24.02559 
1 1 1 6  6  30  f 127.4363 11.79959 1.144275       0.2052775     1.183150       0.2909294     1.105732       0.2896869     128.3084 16.82643 123.7959 17.42923 4.512527       24.22616 
1 1 1 6  6  31  o 87.63373 12.35398 0.5473700      0.1453434     0.4876680      0.2065871     0.6058841      0.2045218     81.25367 18.78797 91.20356 16.86122 -9.949890      25.24457 
1 1 1 6  6  32  o 140.9123 11.66629 1.396116       0.2249551     1.362939       0.3189818     1.428942       0.3172939     137.7941 17.13478 141.3051 16.57663 -3.511002      23.84083 
1 1 1 6  6  33  o 188.8529 11.52989 2.499260       0.2992273     2.347642       0.4232459     2.650772       0.4230968     181.4076 17.09831 193.2252 16.00163 -11.81757      23.41803 
1 1 1 6  6  34  o 265.4101 11.50891 4.917755       0.4217834     4.814040       0.5959203     5.021869       0.5970650     260.5365 16.65168 266.2587 16.31849 -5.722137      23.31462 
1 1 1 6  6  35  o 74.60522 12.91353 0.4002905      0.1282142     0.4336041      0.1819932     0.3674638      0.1806586     76.80648 17.54458 70.67194 18.35036 6.134537       25.38795 
1 1 1 6  6  36  o 67.65684 13.24038 0.3312337      0.1192655     0.3550402      0.1693176     0.3077897      0.1680237     69.51629 17.61698 64.93822 18.07457 4.578072       25.23981 
1 1 1 6  6  37  o 73.72015 13.18602 0.3914744      0.1292990     0.4584481      0.1845062     0.3268438      0.1812499     79.06470 17.37436 66.91488 18.82496 12.14983       25.61732 
1 1 1 6  6  38  o 38.59764 13.03845 0.9723012E-01  0.8252031E-01 0.1218375      0.1199828     0.7514206E-01  0.1136752     44.39804 15.68803 39.27830 15.02153 5.119747       21.72005 
1 1 1 6  6  39  o 334.6647 13.55518 7.843460       0.6264020     7.574600       1.084550      7.978043       0.7673278     322.9525 24.50315 336.3723 16.52048 -13.41980      29.55217 
1 1 1 6  6  40  o 134.4219 25.40614 1.346880       0.4542913     1.346880       0.4542913     0.000000       0.000000      134.4219 25.40614 ?        ?        0.000000       25.40614 
1 1 1 6  6  41  o 125.9246 13.80032 1.123553       0.2360288     0.9146995      0.2907512     1.527176       0.4041934     111.9797 19.51301 145.0059 20.78083 -33.02622      28.50615 
1 1 1 6  6  42  o 284.3124 13.35656 5.657583       0.5243586     5.637868       0.6416628     5.697215       0.9097566     282.3498 16.53025 280.3743 23.72150 1.975433       28.91296 
1 1 1 6  6  43  o 56.52687 12.06276 0.2314093      0.9128603E-01 0.1782443      0.1391814     0.2715450      0.1209300     51.32130 16.92489 61.02015 14.55605 -9.698853      22.32332 
1 1 1 6  6  44  o 172.8163 10.52483 2.087120       0.2499559     2.040177       0.3922531     2.119215       0.3243347     169.2211 17.01778 173.4389 13.65321 -4.217728      21.81777 
1 1 1 6  6  45  o 186.0536 9.572416 2.413167       0.2450889     2.386550       0.3461883     2.439914       0.3470292     184.0932 13.71717 186.1824 13.59255 -2.089233      19.31109 
1 1 1 6  6  46  f 206.3475 10.44700 2.972422       0.2966957     2.893499       0.4705824     3.024495       0.3822410     201.7480 17.05199 207.4189 13.41788 -5.670883      21.69815 
1 1 1 6  6  47  o 96.75068 11.26455 0.6613489      0.1476722     0.5672596      0.2373725     0.7207552      0.1886151     87.58778 20.05845 100.4784 13.97278 -12.89061      24.44545 
1 1 1 6  6  48  o 157.3085 10.59243 1.731725       0.2287442     1.893558       0.3649280     1.626989       0.2935764     163.0499 16.43275 151.6388 14.18562 11.41110       21.70869 
1 1 1 6  6  49  o 207.6263 9.473942 2.998746       0.2716133     3.097999       0.3842177     2.899594       0.3840207     209.8629 13.32791 202.8712 13.79058 6.991760       19.17845 
1 1 1 6  6  50  f 136.2039 9.725512 1.297804       0.1817085     1.422165       0.2568163     1.173136       0.2571332     141.8449 13.26612 128.3353 14.78027 13.50961       19.86067 
1 1 1 6  6  51  o 225.5690 9.504139 3.541535       0.2960263     3.557973       0.4177768     3.524959       0.4195173     224.7780 13.52317 223.6884 13.64743 1.089539       19.21272 
1 1 1 6  6  52  o 404.9022 9.791498 11.42017       0.5474409     10.87147       0.7683659     11.98585       0.7801657     393.1630 14.15329 413.0722 13.67801 -19.90921      19.68257 
1 1 1 6  6  53  o 125.0351 9.920877 1.096221       0.1698784     1.139736       0.2393750     1.052069       0.2411231     126.5895 13.92459 121.3640 14.68729 5.225502       20.23884 
1 1 1 6  6  54  o 219.3781 9.554484 3.352957       0.2894266     3.400020       0.4095110     3.305985       0.4091114     219.5105 13.57718 216.3784 13.76427 3.132172       19.33377 
1 1 1 6  6  55  o 41.68539 12.67188 0.1226769      0.7940669E-01 0.1378675      0.1104682     0.1064365      0.1142219     45.28493 15.08530 42.24397 15.26373 3.040955       21.46038 
1 1 1 6  6  56  o 83.02899 11.01578 0.4902969      0.1231761     0.4250403      0.1736938     0.5563156      0.1747053     75.86237 17.00223 87.56118 14.98857 -11.69881      22.66568 
1 1 1 6  6  57  o 70.58840 12.00143 0.3588630      0.1127906     0.3549857      0.1603956     0.3626558      0.1586389     69.25546 16.91764 70.03407 16.64886 -0.7786102     23.73586 
1 1 1 6  6  58  o 40.60799 12.22556 0.1169435      0.7417367E-01 0.9685632E-01  0.1050841     0.1368885      0.1047117     40.39201 14.63341 44.76765 14.67622 -4.375645      20.72506 
1 1 1 6  6  59  o 109.7217 10.35106 0.8490064      0.1549719     0.9529914      0.2200374     0.7466573      0.2182996     115.3232 14.11236 101.2858 16.15118 14.03742       21.44806 
1 1 1 6  6  60  o 162.3867 9.831551 1.848673       0.2194112     1.919954       0.3110429     1.778075       0.3095511     164.2972 13.83933 157.8938 14.35489 6.403427       19.93966 
1 1 1 6  6  61  o 67.15220 13.83627 0.3298410      0.1240288     0.3061213      0.1536011     0.3742843      0.2102528     64.28468 17.03178 70.87738 20.38903 -6.592697      26.56679 
1 1 1 6  6  62  o 105.5385 11.79742 0.7917083      0.1689824     0.7813373      0.2108318     0.8103396      0.2825842     103.8954 15.14118 104.0621 20.39528 -0.1667557     25.40123 
1 1 1 6  6  63  o 240.7720 9.710632 4.050670       0.3228431     3.909106       0.4550924     4.194086       0.4580603     234.5869 14.11511 243.2117 13.69529 -8.624802      19.66717 
1 1 1 6  6  64  o 141.5270 11.40450 1.414826       0.2209797     1.127318       0.3499278     1.605536       0.2849972     122.6910 21.43531 150.0273 13.91567 -27.33629      25.55618 
1 1 1 6  6  65  o 110.9303 13.00236 0.8794268      0.1953859     1.043611       0.2869873     0.7375759      0.2667553     119.2830 17.98252 99.16172 20.16857 20.12126       27.02114 
1 1 1 6  6  66  o 35.51942 12.26670 0.8092128E-01  0.7311551E-01 0.9712926E-01  0.9900591E-01 0.6147780E-01  0.1084386     39.80810 14.23097 37.20887 14.55165 2.599236       20.35365 
1 1 1 6  6  67  o 236.4650 9.849614 3.911310       0.3216059     3.909464       0.4541907     3.913167       0.4554507     234.4309 14.09642 234.5255 14.13013 -0.9460449E-01 19.95920 
1 1 1 6  6  68  o 109.8655 12.11924 0.8597938      0.1807950     0.9178326      0.2335678     0.7730377      0.2855643     112.5297 15.43861 101.1104 21.13414 11.41933       26.17255 
1 1 1 6  6  69  o 41.27893 13.31589 0.1177162      0.8637699E-01 0.1029136      0.1041315     0.1503682      0.1546566     40.85584 14.59585 49.22874 17.76517 -8.372902      22.99218 
1 1 1 6  6  70  o 58.67580 11.75777 0.2505386      0.9194354E-01 0.2068183      0.1335061     0.2899820      0.1268079     53.57308 16.45894 62.63189 14.88244 -9.058811      22.18973 
1 1 1 6  6  71  f 65.09780 12.59526 0.3087415      0.1091236     0.3138572      0.1690672     0.3050885      0.1428681     64.92874 18.15146 64.07996 16.15163 0.8487778      24.29713 
1 1 1 6  6  72  o 63.94279 12.03956 0.2970690      0.1024013     0.2736271      0.1598479     0.3133855      0.1333593     60.91291 17.85204 65.06711 15.12947 -4.154198      23.40077 
1 1 1 6  6  73  o 47.22260 13.81149 0.1614105      0.9576502E-01 0.1958348      0.1298023     0.1202911      0.1418645     52.25291 16.25823 45.61897 16.92363 6.633945       23.46784 
1 1 1 6  6  74  o 60.47514 12.57533 0.2675988      0.1015874     0.1901827      0.1286394     0.3958779      0.1655907     51.58222 16.20750 72.82306 16.80856 -21.24084      23.34975 
1 1 1 6  6  75  o 75.27121 10.80660 0.4059427      0.1090980     0.4329838      0.1534382     0.3782941      0.1551519     76.63460 15.03714 71.26060 16.14203 5.374001       22.06084 
1 1 1 6  6  76  o 199.4780 8.671791 2.780984       0.2388591     2.561940       0.3364552     3.003560       0.3391565     189.6591 12.92445 205.8512 11.98373 -16.19203      17.62529 
1 1 1 6  6  77  o 27.50307 11.00292 0.2713216E-01  0.6330819E-01 -0.1444129E-01 0.9093198E-01 0.6623919E-01  0.8819339E-01 28.31443 12.34973 35.22894 13.28862 -6.914505      18.14120 
1 1 1 6  6  78  o 39.35043 13.17492 0.1048153      0.8424932E-01 0.8894280E-01  0.1231233     0.1187908      0.1155317     41.00739 15.64509 43.21364 15.38088 -2.206249      21.93947 
1 1 1 6  6  79  o 117.7813 9.944117 0.9832798      0.1602142     0.8245029      0.2377106     1.115442       0.2168744     105.1944 16.94027 124.4854 12.79918 -19.29103      21.23186 
1 1 1 6  6  80  f 147.7230 9.577556 1.543261       0.1943094     1.505176       0.2901287     1.574240       0.2616608     143.5323 14.85366 147.7760 12.95396 -4.243729      19.70879 
1 1 1 6  6  81  o 147.2636 9.718051 1.537894       0.1965007     1.666297       0.2948122     1.435247       0.2635897     151.0582 14.30434 140.3918 13.77459 10.66640       19.85833 
1 1 1 6  6  82  o 90.89011 11.06240 0.5967602      0.1359731     0.6368600      0.2014777     0.5632197      0.1842634     91.61931 16.53421 86.24919 16.06304 5.370117       23.05215 
1 1 1 6  6  83  o 252.1567 9.252013 4.501431       0.3221400     4.541977       0.4856621     4.469579       0.4304654     248.8191 14.19437 248.3807 12.59229 0.4384003      18.97488 
1 1 1 6  6  84  o 78.29288 13.28031 0.4576683      0.1384409     0.6407980      0.1823311     0.2083674      0.2127370     92.17843 14.82769 55.19269 20.67489 36.98574       25.44232 
1 1 1 6  6  85  o 92.20947 13.63933 0.6363341      0.1684229     0.4321650      0.2488873     0.8088104      0.2287559     71.89293 22.53661 102.2893 16.77772 -30.39642      28.09610 
1 1 1 6  6  86  o 121.2759 11.82201 1.078222       0.1954548     0.9645435      0.3522575     1.128789       0.2349381     105.0041 24.70711 122.6304 14.13316 -17.62628      28.46379 
1 1 1 6  6  87  f 58.63715 14.74895 0.2675903      0.1193074     0.1855561      0.1697195     0.3477316      0.1677499     50.87423 18.57155 65.60374 17.98257 -14.72951      25.85102 
1 1 1 6  6  88  o 118.3843 10.70858 1.021534       0.1731558     0.9389909      0.2316389     1.126076       0.2606849     110.2934 15.64865 120.5930 16.05397 -10.29961      22.41897 
1 1 1 6  6  89  o 152.6186 9.439105 1.676587       0.1979425     1.684440       0.2803791     1.668784       0.2794890     149.6628 13.72004 148.9399 13.74495 0.7228699      19.42068 
1 1 1 6  6  90  o 138.6318 10.36452 1.397743       0.1969685     1.440927       0.2636236     1.343172       0.2963507     137.9399 14.03620 130.7380 16.80501 7.201920       21.89574 
1 1 1 6  6  91  o 245.2295 10.20480 4.350712       0.3455535     4.273084       0.4840030     4.431420       0.4935085     236.6904 14.88494 241.0206 14.90178 -4.330261      21.06240 
1 1 1 6  6  92  o 120.7011 11.31002 1.072865       0.1863025     1.163279       0.2612244     0.9792725      0.2657776     122.2357 15.84981 110.2243 18.09014 12.01146       24.05139 
1 1 1 6  6  93  o 67.57832 14.58693 0.3566965      0.1321268     0.1647073      0.2118715     0.4788766      0.1690185     50.77542 20.18884 77.57014 16.29785 -26.79472      25.94628 
1 1 1 6  6  94  o 93.00258 11.70894 0.6425076      0.1470333     0.5880750      0.2233174     0.6841602      0.1953506     83.87248 19.63003 93.56033 15.67568 -9.687843      25.12101 
1 1 1 6  6  95  o 104.7922 11.64891 0.8136331      0.1657065     0.7630301      0.2141117     0.8892104      0.2616655     98.37672 16.33490 104.2968 18.86365 -5.920082      24.95328 
1 1 1 6  6  96  o 122.8124 11.26679 1.111802       0.1889346     1.184092       0.2453752     1.006531       0.2961056     124.2223 14.58256 109.5327 20.32622 14.68961       25.01612 
1 1 1 6  6  97  o 46.75317 15.34295 0.1679414      0.1144308     0.1135614      0.1682611     0.2147349      0.1560835     44.59920 17.90404 52.17945 17.92817 -7.580250      25.33721 
1 1 1 6  6  98  o 198.7446 9.334634 2.856276       0.2561714     3.063814       0.3624823     2.649198       0.3620802     201.1404 13.12308 185.5533 14.24045 15.58708       19.36506 
1 1 1 6  6  99  o 52.28463 15.18465 0.2217488      0.1161181     0.3487424      0.1632020     0.9155013E-01  0.1652486     63.96706 17.81657 42.23010 17.44432 21.73695       24.93460 
1 1 1 6  6  100 o 52.61299 15.22008 0.2288482      0.1168660     0.2023205      0.1634332     0.2566053      0.1671773     49.75874 18.21524 54.41675 18.55726 -4.658005      26.00321 
1 1 1 6  6  101 o 95.65483 11.56322 0.7043924      0.1496295     0.8366553      0.2132183     0.5760509      0.2100337     100.0089 15.97783 79.25277 19.35890 20.75610       25.10096 
1 1 1 6  6  102 o 31.57890 13.28041 0.3845080E-01  0.9833617E-01 0.6011641E-01  0.1415256     0.1822718E-01  0.1367348     36.88698 15.73951 33.92881 14.96037 2.958168       21.71508 
1 1 1 6  6  103 o 86.87505 12.83576 0.6172775      0.1493397     0.5544543      0.2283491     0.6642299      0.1974096     71.50226 21.43372 84.88616 17.42574 -13.38390      27.62355 
1 1 1 6  6  104 o 18.31461 9.071588 -0.1692161     0.8591934E-01 -0.1491179     0.1229702     -0.1883862     0.1200973     24.03456 11.68391 22.47091 11.05319 1.563646       16.08374 
1 1 1 6  6  105 f 37.93751 15.57379 0.1258863      0.1306686     -0.4302323E-01 0.2231176     0.2140629      0.1612068     34.30193 16.43869 44.31882 17.61387 -10.01690      24.09313 
1 1 1 6  6  106 o 27.27581 12.77028 -0.2261278E-01 0.1203820     0.2165760      0.2090317     -0.1413112     0.1472530     40.94402 18.25054 25.40015 12.44201 15.54387       22.08814 
1 1 1 6  6  107 o 63.85427 20.82680 0.6692398      0.2109685     0.9268150      0.3160070     0.4621301      0.2833641     57.03612 23.88717 42.84296 19.90323 14.19316       31.09236 
1 1 1 6  6  108 o 30.85248 14.30639 0.1183652      0.1453863     -0.2378700E-01 0.2242355     0.2214619      0.1909634     28.10268 14.03860 34.04919 15.98687 -5.946518      21.27587 
1 1 1 6  6  109 o 28.09171 13.43579 0.1262832      0.1474034     0.1561009      0.2264488     0.1043597      0.1941731     28.04292 14.02358 27.23621 13.51618 0.8067055      19.47685 
1 1 1 6  6  110 o 22.43213 11.12208 0.4201490E-01  0.1303272     -0.2065735     0.2055067     0.2092495      0.1685577     20.43655 10.49836 25.97355 12.83625 -5.537003      16.58267 
1 1 1 6  6  111 o 21.88760 11.15003 0.2617350      0.1880683     0.1322566      0.2443078     0.4500679      0.2946467     20.17709 10.41030 21.44097 11.07619 -1.263884      15.20054 
1 1 1 6  6  112 o 17.11382 8.846760 0.1273391      0.1952830     0.1013955      0.3021089     0.1459593      0.2559412     16.78384 8.729975 16.97677 8.817772 -0.1929359     12.40829 
1 1 1 6  6  113 o 13.25023 6.881262 -0.1611904     0.1534879     0.000000       0.000000      -0.1611904     0.1534879     ?        ?        13.25023 6.881262 0.000000       6.881262 
1 1 1 6  6  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  0   o 331.6799 23.75415 7.902021       1.075098      0.000000       0.000000      7.902021       1.075098      331.6799 23.75415 331.6799 23.75415 0.000000       0.000000 
1 1 1 6  7  1   o 290.2358 13.33249 5.909886       0.5343186     5.941380       0.6565634     5.848124       0.9194485     289.3531 16.50113 283.0271 23.74619 6.325928       28.91659 
1 1 1 6  7  2   o 237.8440 13.35504 3.980864       0.4368319     4.707034       0.5408560     2.618376       0.7408476     257.9690 15.25143 185.5475 29.93461 72.42143       33.59594 
1 1 1 6  7  3   o 127.7341 13.39832 1.156727       0.2327980     1.295952       0.2856426     0.8813192      0.4017470     134.6699 15.65281 107.4429 27.08658 27.22692       31.28408 
1 1 1 6  7  4   o 273.7621 13.18601 5.256126       0.4984536     5.243200       0.6101312     5.282065       0.8643320     271.8480 16.32967 269.0551 23.50075 2.792938       28.61719 
1 1 1 6  7  5   o 225.8378 11.49868 3.572424       0.3573909     3.887937       0.4149784     2.666379       0.7032216     235.2201 12.82495 188.3985 27.87322 46.82161       30.68217 
1 1 1 6  7  6   o 341.6788 11.62367 8.158832       0.5484024     7.590378       0.6281157     9.981738       1.124798      328.7328 13.83753 371.5905 22.01975 -42.85770      26.00666 
1 1 1 6  7  7   o 334.1807 11.59459 7.803946       0.5350257     7.772961       0.6176595     7.897065       1.070753      332.8311 13.43963 329.2201 23.71281 3.611084       27.25657 
1 1 1 6  7  8   o 216.3724 13.22547 3.294836       0.3932429     3.362295       0.4809956     3.158857       0.6828994     217.5927 16.12353 207.2662 24.32350 10.32649       29.18220 
1 1 1 6  7  9   o 140.3530 13.34770 1.393583       0.2555672     1.648120       0.3130339     0.8847925      0.4425727     152.2577 15.08793 107.3222 29.12226 44.93546       32.79865 
1 1 1 6  7  10  o 267.6138 13.21862 5.021689       0.4884639     4.577021       0.5925132     5.964979       0.8629840     253.6919 17.01280 287.1006 21.93459 -33.40872      27.75899 
1 1 1 6  7  11  o 152.9916 13.28556 1.653084       0.2778766     1.620936       0.3392812     1.718587       0.4842988     150.5490 16.59669 152.4514 23.78238 -1.902435      29.00089 
1 1 1 6  7  12  o 202.1335 11.48740 2.862683       0.3193019     3.014977       0.4484209     2.706046       0.4547682     206.1149 15.87800 194.7895 17.08024 11.32535       23.32049 
1 1 1 6  7  13  o 189.6675 11.44317 2.521087       0.2982900     2.729572       0.4206762     2.310268       0.4230252     196.1443 15.66287 179.8283 17.24769 16.31604       23.29825 
1 1 1 6  7  14  f 216.0556 11.42859 3.268470       0.3397419     3.411540       0.4801159     3.124980       0.4808201     219.3152 15.96357 209.5695 16.75573 9.745667       23.14282 
1 1 1 6  7  15  o 319.2451 11.51096 7.117690       0.5074272     6.670178       0.7113952     7.581189       0.7239915     306.6184 16.86740 327.7389 15.99807 -21.12051      23.24752 
1 1 1 6  7  16  o 145.0936 11.49226 1.478943       0.2283619     1.386624       0.3215394     1.572904       0.3243845     139.0019 17.11380 148.4754 16.07911 -9.473526      23.48233 
1 1 1 6  7  17  o 80.33523 12.28203 0.4613059      0.1319150     0.4473506      0.1854407     0.4756021      0.1876917     77.97712 17.63570 80.48335 17.39616 -2.506226      24.77185 
1 1 1 6  7  18  o 125.9028 11.62459 1.116146       0.1998109     1.262282       0.2831451     0.9711800      0.2820090     132.9465 15.72874 115.6749 18.26173 17.27161       24.10153 
1 1 1 6  7  19  o 216.5230 11.50177 3.282191       0.3426464     3.868477       0.4877405     2.710881       0.4814705     233.9601 15.17963 194.6785 18.11877 39.28157       23.63707 
1 1 1 6  7  20  o 420.9739 11.82009 12.38029       0.6870904     12.12357       0.9666995     12.64237       0.9767638     414.0594 16.90795 422.9334 16.72552 -8.874023      23.78280 
1 1 1 6  7  21  o 337.3835 11.60609 7.947774       0.5406894     7.691922       0.7600969     8.209849       0.7692865     329.5179 16.76048 341.0326 16.33632 -11.51474      23.40489 
1 1 1 6  7  22  f 147.6396 11.56523 1.530625       0.2338885     1.480540       0.3294549     1.581516       0.3320975     143.8245 16.91217 148.8482 16.43180 -5.023651      23.58020 
1 1 1 6  7  23  o 196.9091 11.48807 2.714846       0.3110005     2.434569       0.4368347     3.002920       0.4428698     184.7697 17.32403 205.9197 15.69360 -21.14998      23.37543 
1 1 1 6  7  24  o 370.1322 11.67840 9.563208       0.5968677     10.15414       0.8498190     8.987923       0.8384917     379.4720 16.21843 356.6353 17.02693 22.83667       23.51497 
1 1 1 6  7  25  o 192.5282 11.49248 2.595176       0.3041310     2.535031       0.4294034     2.655717       0.4308125     188.8504 16.63672 193.4394 16.28029 -4.589020      23.27721 
1 1 1 6  7  26  o 171.8166 11.52046 2.068578       0.2717385     1.882801       0.3820409     2.258807       0.3865921     162.3664 17.30699 178.4444 15.85476 -16.07806      23.47137 
1 1 1 6  7  27  o 127.2712 13.66978 1.147174       0.2364674     1.240223       0.2881474     0.9552665      0.4138131     131.7538 16.17843 112.3395 27.00944 19.41427       31.48414 
1 1 1 6  7  28  o 158.2884 13.45914 1.766325       0.2913826     1.761406       0.3553820     1.776412       0.5089768     157.2242 16.62161 155.1676 24.57393 2.056656       29.66743 
1 1 1 6  7  29  o 207.4399 16.59344 3.052403       0.4713203     2.948120       0.6655142     3.157335       0.6675856     200.7402 24.51923 208.2253 23.63742 -7.485107      34.05760 
1 1 1 6  7  30  o 208.4384 24.07931 3.169241       0.6802882     0.000000       0.000000      3.169241       0.6802882     ?        ?        208.4384 24.07931 0.000000       24.07931 
1 1 1 6  7  31  o 74.14361 23.45177 0.3929335      0.2689307     0.000000       0.000000      0.3929335      0.2689307     ?        ?        74.14361 23.45177 0.000000       23.45177 
1 1 1 6  7  32  o 88.00916 23.74484 0.5768797      0.2952196     0.000000       0.000000      0.5768797      0.2952196     ?        ?        88.00916 23.74484 0.000000       23.74484 
1 1 1 6  7  33  o 82.82150 17.70057 0.5025316      0.1962876     0.3662025      0.2761085     0.6418315      0.2791007     72.43264 23.83595 92.91356 22.07992 -20.48092      32.49116 
1 1 1 6  7  34  o 61.34111 15.11262 0.2746470      0.1271722     0.2853401      0.1583732     0.2552360      0.2133791     62.65800 17.58617 61.76762 20.96579 0.8903847      27.36490 
1 1 1 6  7  35  o 123.5487 11.92740 1.074972       0.2009505     1.115046       0.2846724     1.035171       0.2837039     124.6372 16.98306 119.8225 17.67805 4.814728       24.51403 
1 1 1 6  7  36  o 210.9301 11.59000 3.112696       0.3362726     3.068811       0.4759669     3.156431       0.4751566     207.9679 16.71580 211.0270 16.43614 -3.059143      23.44279 
1 1 1 6  7  37  o 159.9383 11.73525 1.794357       0.2573596     1.693253       0.3653522     1.893936       0.3625864     153.8528 17.50951 163.1761 16.31076 -9.323303      23.92956 
1 1 1 6  7  38  o 291.5375 11.65634 5.931102       0.4692396     5.711662       0.6633490     6.150882       0.6638613     283.9280 16.99799 294.9489 16.36440 -11.02094      23.59503 
1 1 1 6  7  39  o 169.1880 11.70473 2.007140       0.2717638     1.962827       0.3852674     2.051025       0.3834035     165.8765 17.06390 169.7498 16.56842 -3.873322      23.78423 
1 1 1 6  7  40  o 278.3295 11.62430 5.407507       0.4467493     5.318330       0.6316110     5.496793       0.6319872     273.9320 16.77904 278.6237 16.50028 -4.691650      23.53285 
1 1 1 6  7  41  o 116.4902 12.17622 0.9584128      0.1929630     0.9777482      0.2739661     0.9393780      0.2718281     116.2993 17.61130 113.8724 17.87651 2.426903       25.09437 
1 1 1 6  7  42  f 194.1571 11.69717 2.642557       0.3121329     2.714006       0.4433445     2.572335       0.4395256     195.3055 16.59675 189.9906 16.93126 5.314880       23.70906 
1 1 1 6  7  43  o 142.6721 11.96008 1.432864       0.2334456     1.556487       0.3323462     1.312467       0.3279808     147.4829 16.60874 134.8362 18.07046 12.64670       24.54367 
1 1 1 6  7  44  o 194.1955 11.79564 2.645980       0.3148018     2.485123       0.4451818     2.806858       0.4452122     186.3883 17.50239 198.5913 16.38183 -12.20300      23.97286 
1 1 1 6  7  45  o 188.5753 11.79671 2.496496       0.3056291     2.394794       0.4315959     2.598793       0.4328564     182.9512 17.28951 190.9026 16.58561 -7.951447      23.95850 
1 1 1 6  7  46  o 208.8774 11.78290 3.061941       0.3384582     3.026016       0.4786251     3.097875       0.4786793     205.8610 16.98952 208.3915 16.77728 -2.530457      23.87720 
1 1 1 6  7  47  o 98.51279 13.07053 0.6926920      0.1734070     0.6374618      0.2450621     0.7480781      0.2454073     92.67552 19.75397 101.0118 18.26691 -8.336273      26.90538 
1 1 1 6  7  48  o 229.4367 9.512823 3.668402       0.3013771     3.570519       0.4242652     3.768102       0.4281851     224.8354 13.73161 231.0877 13.47738 -6.252304      19.24050 
1 1 1 6  7  49  o 122.9268 9.884498 1.060790       0.1663612     1.035477       0.2340837     1.086623       0.2364751     120.3443 14.37089 123.3866 14.13465 -3.042351      20.15716 
1 1 1 6  7  50  o 61.78408 11.67575 0.2760129      0.9595912E-01 0.2964496      0.1351702     0.2552485      0.1362496     63.44780 15.54970 59.00369 16.22011 4.444107       22.46965 
1 1 1 6  7  51  o 112.3317 9.970512 0.8878385      0.1530453     0.8993135      0.2162887     0.8763317      0.2165890     111.9736 14.31655 110.4424 14.55716 1.531235       20.41751 
1 1 1 6  7  52  o 76.85013 10.86513 0.4212455      0.1120825     0.3988854      0.1585807     0.4435651      0.1584364     73.54799 16.06466 77.82597 15.28864 -4.277977      22.17692 
1 1 1 6  7  53  o 68.03226 11.38245 0.3328902      0.1031497     0.4403741      0.1458991     0.2254751      0.1458524     77.81674 14.09724 56.01165 17.20233 21.80509       22.24078 
1 1 1 6  7  54  o 80.68697 10.70217 0.4634055      0.1162954     0.4623102      0.1640507     0.4645117      0.1648856     79.39452 15.52034 79.57672 15.56335 -0.1821976     21.97952 
1 1 1 6  7  55  o 189.4160 10.67430 2.519942       0.2780483     2.467140       0.3557612     2.602820       0.4457106     186.3085 13.92969 190.0067 17.17377 -3.698181      22.11278 
1 1 1 6  7  56  o 37.54992 12.98876 0.9040230E-01  0.8199241E-01 0.1471434      0.1001383     -0.2501821E-01 0.1428212     45.69847 14.29019 35.27731 15.42951 10.42115       21.03044 
1 1 1 6  7  57  o 107.4621 10.41375 0.8155359      0.1525867     0.8837633      0.2160876     0.7476829      0.2154940     110.8125 14.46750 101.3381 15.92540 9.474464       21.51574 
1 1 1 6  7  58  o 116.5305 11.24889 0.9612155      0.1787540     1.033748       0.2819013     0.9124393      0.2311723     118.8410 17.72053 112.3393 15.30076 6.501633       23.41218 
1 1 1 6  7  59  o 277.0146 10.62642 5.376149       0.4064692     5.878699       0.6472674     5.048921       0.5222984     286.3691 16.43777 266.5662 14.24132 19.80292       21.74892 
1 1 1 6  7  60  o 157.6664 12.12978 1.759396       0.2620502     1.781971       0.3766529     1.738217       0.3648204     156.5536 17.73665 154.7564 17.37236 1.797241       24.82716 
1 1 1 6  7  61  o 122.7819 12.47076 1.072751       0.2084951     1.070791       0.2455576     1.077813       0.3946649     121.9097 14.89731 118.2388 24.95683 3.670883       29.06499 
1 1 1 6  7  62  o 142.3550 11.26536 1.431688       0.2196310     1.370866       0.2813088     1.526647       0.3514955     138.0755 14.99572 144.5859 17.99517 -6.510406      23.42430 
1 1 1 6  7  63  o 86.60395 13.28535 0.5416788      0.1538010     0.5679069      0.2084806     0.5103595      0.2278184     87.35205 17.88636 82.14295 20.22110 5.209099       26.99657 
1 1 1 6  7  64  o 74.46058 12.92954 0.4021688      0.1281149     0.5080650      0.1928220     0.3184721      0.1714236     82.62791 17.44759 65.41293 18.27422 17.21497       25.26589 
1 1 1 6  7  65  o 155.9721 10.07385 1.710310       0.2158008     1.632749       0.3056686     1.787385       0.3047106     150.7923 14.87402 158.1291 14.10328 -7.336731      20.49730 
1 1 1 6  7  66  o 41.61800 14.56530 0.1107490      0.1032491     0.8032176E-01  0.1864809     0.1241999      0.1239878     46.54078 18.79024 44.60713 15.92775 1.933651       24.63262 
1 1 1 6  7  67  o 167.1564 11.24054 1.972468       0.2579386     1.791988       0.4164882     2.084764       0.3285254     155.7397 19.81592 170.8340 14.05154 -15.09433      24.29231 
1 1 1 6  7  68  o 107.5053 12.47093 0.8261849      0.1816868     0.8111168      0.2985584     0.8350469      0.2289637     103.2537 21.63299 106.9531 15.99488 -3.699394      26.90394 
1 1 1 6  7  69  o 100.6120 11.27632 0.7205688      0.1539640     0.7479780      0.2197718     0.6941514      0.2157597     100.9561 16.32226 97.04887 16.70307 3.907257       23.35398 
1 1 1 6  7  70  f 93.70009 11.36543 0.6267626      0.1440404     0.6804441      0.2051748     0.5745934      0.2022641     96.24796 15.99985 87.85375 17.28894 8.394211       23.55637 
1 1 1 6  7  71  o 128.3611 11.03173 1.167933       0.1936309     1.199205       0.2757870     1.137532       0.2719246     128.3413 15.90273 124.8524 16.15160 3.488846       22.66651 
1 1 1 6  7  72  o 111.7872 11.82925 0.8923472      0.1798203     0.8095441      0.2407394     0.9968532      0.2704549     104.4874 17.29043 116.1314 17.40175 -11.64406      24.53120 
1 1 1 6  7  73  o 118.9196 12.12892 1.011795       0.1963774     0.9535613      0.2617831     1.086737       0.2969728     113.4325 17.25761 120.7026 18.40010 -7.270020      25.22675 
1 1 1 6  7  74  o 75.69581 14.08408 0.4225501      0.1417926     0.4740834      0.1929193     0.3620053      0.2091075     78.97190 18.08128 68.87566 20.48016 10.09624       27.31977 
1 1 1 6  7  75  o 78.77853 13.41906 0.4557849      0.1407393     0.3571329      0.1915978     0.5713949      0.2074126     68.19906 19.41415 86.69473 17.91853 -18.49567      26.41936 
1 1 1 6  7  76  o 78.80832 13.15523 0.4564890      0.1381092     0.5275440      0.1903973     0.3775859      0.2006366     83.31764 17.12198 69.72993 19.87267 13.58771       26.23138 
1 1 1 6  7  77  o 73.22097 14.41266 0.4013208      0.1405314     0.3776572      0.1934576     0.4277585      0.2044832     69.53639 19.40856 73.81696 19.69620 -4.280563      27.65199 
1 1 1 6  7  78  o 126.1498 12.17959 1.153409       0.2095188     1.133428       0.2808910     1.178468       0.3145697     122.3432 17.09413 123.5269 19.05532 -1.183754      25.59912 
1 1 1 6  7  79  o 35.45315 14.13274 0.5468922E-01  0.1040704     0.3031041E-01  0.1482587     0.7836977E-01  0.1461200     38.47912 16.25099 41.61615 16.69229 -3.137035      23.29651 
1 1 1 6  7  80  o 59.64037 17.95223 0.2782554      0.1599477     0.2656096      0.1826408     0.3198693      0.3313164     58.64749 19.39033 65.90392 25.52923 -7.256435      32.05817 
1 1 1 6  7  81  o 114.4232 15.13342 0.9912344      0.2332382     0.9476063      0.2684716     1.125498       0.4709716     109.6584 18.38087 108.4085 30.29165 1.249924       35.43219 
1 1 1 6  7  82  o 62.55895 17.49997 0.3123709      0.1570971     0.4747864      0.2414166     0.1930840      0.2068949     74.83416 21.94106 53.18834 20.28346 21.64582       29.88025 
1 1 1 6  7  83  o 104.3586 12.75938 0.8109996      0.1800342     0.7574626      0.2295135     0.8966318      0.2902679     97.72044 17.65918 103.8988 20.95567 -6.178314      27.40413 
1 1 1 6  7  84  o 74.73846 12.67235 0.4208580      0.1261072     0.2958720      0.1763120     0.5517721      0.1804449     60.36936 18.97546 83.82528 16.17548 -23.45592      24.93420 
1 1 1 6  7  85  o 68.88551 12.03548 0.3565702      0.1103130     0.4889793      0.1596146     0.2354926      0.1526319     79.27444 15.13351 54.59026 17.71035 24.68418       23.29548 
1 1 1 6  7  86  o 119.8751 11.05288 1.053964       0.1808936     1.018397       0.2496594     1.093273       0.2624651     114.0725 16.31468 118.0410 16.55830 -3.968513      23.24534 
1 1 1 6  7  87  o 60.41039 14.44476 0.2855860      0.1188633     0.3146892      0.1596438     0.2493828      0.1780555     62.09656 17.73690 55.93705 19.15114 6.159515       26.10295 
1 1 1 6  7  88  o 44.49237 14.70953 0.1480514      0.1051059     0.1682565      0.1476464     0.1272918      0.1496585     48.08240 17.35690 44.72713 17.20484 3.355267       24.43908 
1 1 1 6  7  89  o 81.34335 12.89939 0.5008290      0.1400520     0.6061512      0.1966942     0.3925222      0.1994618     87.07872 16.96834 68.16460 19.93165 18.91412       26.17624 
1 1 1 6  7  90  o 87.32049 14.21250 0.5853841      0.1654718     0.5416839      0.2562484     0.6166401      0.2167135     78.34594 22.50072 86.68878 18.65711 -8.342842      29.22962 
1 1 1 6  7  91  o 75.17242 17.14956 0.4563597      0.1740762     0.6648845      0.2309058     0.1818069      0.2649530     89.62333 19.23401 54.18980 22.20300 35.43353       29.37551 
1 1 1 6  7  92  o 217.2694 11.49276 3.470160       0.3435688     3.260533       0.4354802     3.815732       0.5591329     205.6432 15.44904 217.1819 18.83099 -11.53873      24.35732 
1 1 1 6  7  93  o 147.6089 11.12099 1.603518       0.2250048     1.788892       0.3184160     1.418634       0.3179942     151.7979 15.40456 132.6961 17.80399 19.10181       23.54320 
1 1 1 6  7  94  o 208.8014 10.38530 3.181945       0.2994268     3.222075       0.4234515     3.141814       0.4234552     203.6161 15.16982 200.7231 15.39552 2.892944       21.61355 
1 1 1 6  7  95  o 107.2510 12.09679 0.8690814      0.1760174     0.8760530      0.2480906     0.8620154      0.2497705     102.5115 18.19298 101.3494 18.53055 1.162109       25.96856 
1 1 1 6  7  96  o 166.2841 10.14786 2.042761       0.2318887     1.972904       0.3114181     2.129697       0.3474059     158.3057 14.40411 162.7432 15.65260 -4.437515      21.27163 
1 1 1 6  7  97  o 56.24696 14.91871 0.2632387      0.1177679     0.1229325      0.1583437     0.4369305      0.1761782     43.09007 17.34362 70.27591 18.05817 -27.18584      25.03794 
1 1 1 6  7  98  o 58.06036 14.78566 0.2849818      0.1188580     0.2855600      0.1603883     0.2842776      0.1770210     55.79619 18.15743 55.15368 19.08464 0.6425133      26.34228 
1 1 1 6  7  99  o 39.34306 14.57290 0.1210829      0.1051106     0.2214241      0.1438673     0.6197541E-02  0.1539412     49.26336 17.19592 34.44956 15.48589 14.81380       23.14114 
1 1 1 6  7  100 o 46.13046 15.01509 0.1912950      0.1096760     0.8418521E-01  0.1618489     0.2822439      0.1491399     38.35466 16.60356 53.56846 17.51289 -15.21381      24.13254 
1 1 1 6  7  101 o 41.45933 15.08160 0.1586935      0.1117846     0.1746840      0.1577096     0.1425489      0.1584678     42.60096 17.25178 40.44208 16.92462 2.158875       24.16747 
1 1 1 6  7  102 o 54.96241 18.42582 0.3622659      0.1647897     0.2174640      0.3563225     0.4016626      0.1858600     42.24559 20.38045 55.78316 19.54094 -13.53757      28.23493 
1 1 1 6  7  103 o 57.05564 20.44869 0.5135034      0.2045430     0.4583358      0.3884896     0.5346619      0.2405908     42.26548 20.59587 53.13898 21.38199 -10.87349      29.68803 
1 1 1 6  7  104 o 40.90101 17.57343 0.2988071      0.1786358     0.4489842      0.3445894     0.2436165      0.2088972     38.15870 18.76073 36.88654 17.12011 1.272156       25.39809 
1 1 1 6  7  105 o 32.32463 15.05561 0.1860466      0.1638246     0.3377561      0.3211680     0.1326901      0.1904670     32.29900 16.22906 30.14872 14.62957 2.150280       21.84964 
1 1 1 6  7  106 o 18.89042 9.454342 -0.1109739     0.1038883     -0.8827697E-01 0.2374889     -0.1163449     0.1155284     23.90684 12.20900 19.57153 9.820082 4.335318       15.66824 
1 1 1 6  7  107 o 23.98864 12.14955 0.2127270      0.2015351     0.1086845      0.3107449     0.2882611      0.2647708     22.44538 11.58707 23.83232 12.22402 -1.386946      16.84301 
1 1 1 6  7  108 o 19.31535 9.912570 0.1018817      0.1766736     -0.1678452E-01 0.2719395     0.1885501      0.2324016     18.59537 9.645649 19.62387 10.12593 -1.028509      13.98474 
1 1 1 6  7  109 o 15.65945 8.087301 -0.1115508E-01 0.1546695     0.9386927E-02  0.2425867     -0.2522552E-01 0.2007703     15.92038 8.274652 15.73449 8.164857 0.1858883      11.62475 
1 1 1 6  7  110 o 13.95388 7.264647 0.1804123      0.2519100     0.000000       0.000000      0.1804123      0.2519100     ?        ?        13.95388 7.264647 0.000000       7.264647 
1 1 1 6  7  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  0   o 51.00790 25.24514 0.2705501      0.2139529     0.2705501      0.2139529     0.000000       0.000000      51.00790 25.24514 51.00790 25.24514 -0.000000      0.000000 
1 1 1 6  8  1   o 105.2816 17.38473 0.8022750      0.2439092     0.6241522      0.3428220     0.9848679      0.3470971     91.42162 25.94976 115.3782 22.59508 -23.95662      34.40825 
1 1 1 6  8  2   o 228.6233 16.35545 3.700823       0.5129122     3.303136       0.7195020     4.111748       0.7313787     212.4106 25.01037 238.4958 22.47373 -26.08516      33.62421 
1 1 1 6  8  3   o 162.4090 16.52038 1.877321       0.3653249     2.506667       0.5201935     1.264849       0.5131729     186.5130 20.53887 128.7820 29.49290 57.73099       35.93990 
1 1 1 6  8  4   o 167.2311 16.49142 1.989155       0.3758562     1.781974       0.5306756     2.197692       0.5324105     155.0027 25.69425 173.6817 22.74682 -18.67902      34.31635 
1 1 1 6  8  5   o 215.4293 16.36897 3.288031       0.4832854     3.114050       0.6824529     3.463053       0.6844891     206.4490 24.41248 218.4718 23.03725 -12.02278      33.56611 
1 1 1 6  8  6   o 136.3026 13.73199 1.313860       0.2549291     1.621502       0.3154644     0.7348302      0.4327906     151.1554 15.32624 98.90446 29.47614 52.25091       33.22253 
1 1 1 6  8  7   o 122.4582 13.71376 1.062816       0.2279093     0.9272926      0.2797376     1.330370       0.3930509     113.0398 18.56659 134.8219 21.86171 -21.78211      28.68192 
1 1 1 6  8  8   o 165.0564 16.49888 1.938129       0.3709944     2.095398       0.5253675     1.781698       0.5239661     169.4234 23.05578 155.1436 25.33304 14.27982       34.25393 
1 1 1 6  8  9   o 209.2073 16.36152 3.101543       0.4688853     2.898508       0.6577535     3.311322       0.6685870     199.0939 24.43901 213.6015 23.03249 -14.50761      33.58215 
1 1 1 6  8  10  o 121.5544 16.91616 1.061063       0.2762333     1.138886       0.3889300     0.9818459      0.3923989     123.9817 23.58003 114.3707 25.49753 9.610992       34.72955 
1 1 1 6  8  11  o 154.7862 16.46522 1.706333       0.3465121     1.634325       0.4839262     1.782100       0.4963958     148.8130 24.39614 155.7434 23.84113 -6.930389      34.11116 
1 1 1 6  8  12  o 159.1739 16.50516 1.803654       0.3574955     1.607856       0.5000156     2.008409       0.5113239     147.1519 25.53411 165.8680 22.93920 -18.71611      34.32488 
1 1 1 6  8  13  o 139.5526 13.46433 1.375294       0.2562336     1.439987       0.3131617     1.244258       0.4456919     142.1226 16.24969 128.9356 25.93227 13.18692       30.60286 
1 1 1 6  8  14  o 103.0102 14.06812 0.7567677      0.1948718     0.7220343      0.3334166     0.7747889      0.2401628     98.15038 24.63844 103.4182 17.43815 -5.267868      30.18513 
1 1 1 6  8  15  o 125.7363 13.69446 1.119647       0.2339177     1.499486       0.4056572     0.9304281      0.2863132     143.5851 21.08866 113.1215 19.00367 30.46351       28.38787 
1 1 1 6  8  16  o 149.8482 13.47375 1.583946       0.2758100     1.706760       0.4764289     1.522040       0.3382551     152.5423 23.36289 145.9210 17.11252 6.621368       28.95967 
1 1 1 6  8  17  o 234.0685 16.39068 3.877993       0.5264155     3.719679       0.7442976     4.036448       0.7446303     225.9760 24.23124 236.0138 23.14679 -10.03780      33.51010 
1 1 1 6  8  18  o 187.2788 16.45095 2.489202       0.4211076     2.541099       0.5984976     2.438321       0.5926180     186.5655 23.77252 182.5659 24.09695 3.999588       33.84960 
1 1 1 6  8  19  o 242.2953 16.40752 4.154567       0.5457053     4.638035       0.7822139     3.696145       0.7616832     253.3863 22.59356 224.8931 24.94830 28.49321       33.65838 
1 1 1 6  8  20  f 155.4777 13.35604 1.703736       0.2839535     1.745606       0.3494186     1.622317       0.4872578     156.5961 16.40290 148.1488 24.68778 8.447296       29.64020 
1 1 1 6  8  21  o 207.4289 13.28408 3.022713       0.3784870     3.087593       0.4652851     2.895809       0.6507322     208.7651 16.26919 199.1238 24.16176 9.641296       29.12863 
1 1 1 6  8  22  o 193.4437 11.52837 2.619000       0.3065381     2.763900       0.4330103     2.473428       0.4340122     197.5272 16.01355 186.4736 17.04416 11.05357       23.38669 
1 1 1 6  8  23  o 178.1329 11.55679 2.222498       0.2827273     2.023131       0.3969872     2.427695       0.4027486     168.4053 17.31876 185.0622 15.91565 -16.65691      23.52121 
1 1 1 6  8  24  o 181.5216 11.56347 2.307728       0.2883283     2.139021       0.4047724     2.481505       0.4108104     173.2465 17.14538 187.0581 16.06051 -13.81158      23.49264 
1 1 1 6  8  25  o 128.1434 11.78559 1.155461       0.2062010     1.204414       0.2904820     1.105737       0.2927559     129.6921 16.60168 123.9061 17.60619 5.785950       24.19904 
1 1 1 6  8  26  o 225.7247 11.55423 3.564014       0.3589219     3.526127       0.5057986     3.602444       0.5094051     223.0107 16.54325 225.4463 16.47787 -2.435638      23.34951 
1 1 1 6  8  27  f 150.7492 11.66259 1.595304       0.2408774     1.624591       0.3401398     1.565840       0.3411666     150.8856 16.60024 147.9841 17.00504 2.901550       23.76424 
1 1 1 6  8  28  o 115.1855 11.94995 0.9362729      0.1872990     0.9486676      0.2643698     0.9237818      0.2653947     114.6621 17.23043 113.0233 17.57649 1.638840       24.61343 
1 1 1 6  8  29  o 152.3812 11.68418 1.630418       0.2439760     1.470012       0.3435107     1.793703       0.3465780     143.0507 17.77359 158.7492 16.03029 -15.69852      23.93472 
1 1 1 6  8  30  o 201.0276 11.58252 2.830793       0.3201509     2.663666       0.4506639     3.001069       0.4548892     193.3599 17.05374 205.6404 16.14977 -12.28055      23.48713 
1 1 1 6  8  31  o 161.3938 11.68468 1.828833       0.2586384     1.734387       0.3639102     1.925235       0.3676585     155.6307 17.22276 164.3166 16.42412 -8.685944      23.79864 
1 1 1 6  8  32  o 232.1613 11.53967 3.765269       0.3699314     4.022602       0.5251349     3.511767       0.5212113     238.1608 16.06228 222.0467 17.13176 16.11409       23.48391 
1 1 1 6  8  33  o 92.73238 12.50466 0.6124452      0.1560356     0.5167592      0.2201889     0.7089682      0.2211497     83.50642 19.45667 98.81097 16.81055 -15.30456      25.71297 
1 1 1 6  8  34  o 77.58433 13.20581 0.4334519      0.1364058     0.5055375      0.1935131     0.3622625      0.1923065     82.94613 17.44859 70.11974 19.26765 12.82639       25.99415 
1 1 1 6  8  35  o 63.48450 13.66096 0.2936531      0.1162037     0.3117389      0.1641281     0.2754751      0.1645465     65.15940 17.75705 61.63200 18.12670 3.527405       25.37499 
1 1 1 6  8  36  o 133.0077 11.97762 1.247882       0.2176213     1.087689       0.3063761     1.411010       0.3091690     122.1942 18.75724 140.3166 16.25814 -18.12238      24.82259 
1 1 1 6  8  37  o 210.0077 11.69296 3.095107       0.3377319     2.936859       0.4749434     3.256979       0.4803527     202.6774 17.13111 213.8057 16.39548 -11.12828      23.71259 
1 1 1 6  8  38  o 158.1714 11.83780 1.761207       0.2566707     1.751486       0.3612952     1.771111       0.3647032     156.1504 17.03268 157.0084 17.09848 -0.8579407     24.13442 
1 1 1 6  8  39  o 67.83944 13.69306 0.3350728      0.1238478     0.3554178      0.1750317     0.3146740      0.1752629     69.30209 18.09527 65.43887 18.54718 3.863220       25.91210 
1 1 1 6  8  40  o 102.0873 12.53355 0.7420751      0.1729674     0.8753954      0.2454031     0.6104584      0.2438301     109.8286 16.70861 90.45216 20.04889 19.37645       26.09858 
1 1 1 6  8  41  o 71.51730 13.74436 0.3720186      0.1307979     0.4149878      0.1869734     0.3308375      0.1830417     74.71569 18.27421 66.95269 18.94666 7.763000       26.32343 
1 1 1 6  8  42  o 75.43859 13.61494 0.4127818      0.1366047     0.3611754      0.1936160     0.4639347      0.1927633     69.76007 19.39720 79.02949 18.05907 -9.269417      26.50248 
1 1 1 6  8  43  o 257.3785 11.71138 4.646938       0.4162155     4.628603       0.5889520     4.665231       0.5882838     254.2196 16.87359 255.2761 16.78287 -1.056564      23.79880 
1 1 1 6  8  44  o 210.5495 11.81661 3.120725       0.3421575     2.964022       0.4835387     3.277876       0.4842296     202.9022 17.42778 213.8728 16.52494 -10.97066      24.01669 
1 1 1 6  8  45  o 201.2416 11.85997 2.853028       0.3281066     2.640599       0.4629573     3.067406       0.4650757     191.2328 17.73414 206.8428 16.41840 -15.60995      24.16741 
1 1 1 6  8  46  o 136.5207 12.29818 1.320658       0.2293455     1.305879       0.3235441     1.335584       0.3251489     133.8581 17.95732 135.4467 17.81742 -1.588593      25.29675 
1 1 1 6  8  47  o 55.68627 14.82986 0.2276513      0.1160662     0.2210852      0.1644156     0.2341739      0.1638706     56.21169 18.38844 57.40496 18.32244 -1.193272      25.95856 
1 1 1 6  8  48  o 185.3531 11.99337 2.424298       0.3053131     2.476371       0.4341710     2.373357       0.4294237     185.2870 17.16481 181.2693 17.36896 4.017639       24.41949 
1 1 1 6  8  49  o 64.61137 14.95285 0.3077005      0.1307629     0.3509534      0.1882482     0.2673711      0.1817748     68.65998 19.13892 60.98135 19.27984 7.678635       27.16635 
1 1 1 6  8  50  o 106.3595 13.00046 0.8089154      0.1869552     0.8138736      0.2655602     0.8040430      0.2632442     104.7408 19.06387 104.1100 19.01228 0.6308289      26.92393 
1 1 1 6  8  51  o 267.7406 11.95099 5.040647       0.4418311     4.704946       0.6219326     5.382709       0.6277959     255.3577 17.74856 273.8822 16.67981 -18.52443      24.35626 
1 1 1 6  8  52  o 146.1193 14.68624 1.529425       0.2923046     1.699324       0.5209101     1.451339       0.3531445     148.6272 26.34664 140.7816 18.62355 7.845551       32.26425 
1 1 1 6  8  53  o 198.9628 26.33104 3.019963       0.7056262     3.019963       0.7056262     0.000000       0.000000      198.9628 26.33104 ?        ?        0.000000       26.33104 
1 1 1 6  8  54  o 185.9295 11.89856 2.441400       0.3038762     2.315358       0.3531876     2.800614       0.5962447     180.1456 14.31662 193.7668 22.71574 -13.62128      26.85089 
1 1 1 6  8  55  o 108.5546 14.26156 0.8490293      0.2085997     0.6619641      0.2571349     1.209130       0.3567604     93.66384 20.45459 127.1803 21.05150 -33.51645      29.35227 
1 1 1 6  8  56  o 185.3895 10.64202 2.417280       0.2712838     2.561390       0.4215986     2.315449       0.3543988     188.5544 16.35489 180.0740 14.37265 8.480423       21.77282 
1 1 1 6  8  57  o 133.2281 10.84550 1.253209       0.1977869     1.428954       0.3051245     1.125848       0.2597484     140.5870 16.00306 124.8208 15.39686 15.76615       22.20723 
1 1 1 6  8  58  f 138.9886 10.11879 1.359625       0.1928650     1.377687       0.2723044     1.341442       0.2732024     138.5728 14.44337 136.6230 14.71389 1.949768       20.61818 
1 1 1 6  8  59  o 145.5265 10.10507 1.489989       0.2017989     1.470986       0.2848117     1.509146       0.2859653     143.1518 14.61356 145.0671 14.46904 -1.915268      20.56475 
1 1 1 6  8  60  o 167.0793 11.12198 1.969398       0.2551256     1.975316       0.4106279     1.965676       0.3255948     164.3586 18.40950 165.7504 14.36821 -1.391815      23.35284 
1 1 1 6  8  61  o 209.4344 10.94197 3.088527       0.3153345     3.241283       0.5065097     2.991851       0.4029478     211.4239 17.50737 204.6965 14.34676 6.727386       22.63488 
1 1 1 6  8  62  o 106.6499 10.89087 0.8067958      0.1581336     0.9151557      0.2249659     0.7009633      0.2223268     112.4479 14.85208 97.41638 17.15466 15.03149       22.69067 
1 1 1 6  8  63  o 162.4619 10.14373 1.857379       0.2264174     2.076933       0.3216783     1.641809       0.3187469     170.5095 13.78044 150.7798 15.53192 19.72977       20.76394 
1 1 1 6  8  64  o 226.6844 9.832736 3.601168       0.3077755     3.677917       0.4362445     3.525109       0.4342827     226.9814 13.98692 222.0680 14.23779 4.913406       19.95867 
1 1 1 6  8  65  o 116.2386 10.86220 0.9583758      0.1723229     0.9354984      0.2450131     0.9807696      0.2424105     113.0552 16.15431 116.0498 15.51606 -2.994545      22.39888 
1 1 1 6  8  66  f 101.3091 11.71740 0.7339454      0.1608898     0.9081361      0.2298270     0.5665410      0.2253055     111.5856 15.32040 86.36154 19.37081 25.22408       24.69703 
1 1 1 6  8  67  o 140.9195 10.56842 1.405759       0.2041477     1.362936       0.2885692     1.448665       0.2888479     136.8119 15.55159 141.3282 15.03214 -4.516281      21.62908 
1 1 1 6  8  68  f 56.08920 15.04619 0.2343414      0.1189427     0.2599112      0.1684514     0.2089175      0.1679704     59.32582 18.53143 54.67442 18.60144 4.651405       26.25696 
1 1 1 6  8  69  o 104.2118 11.10279 0.7768155      0.1573067     0.6728953      0.2206347     0.8842579      0.2243422     94.50220 17.55428 109.6891 15.22219 -15.18690      23.23506 
1 1 1 6  8  70  o 90.85360 11.72536 0.5961787      0.1436652     0.5995210      0.2021594     0.5927683      0.2042024     89.07381 17.05754 88.43732 17.34171 0.6364899      24.32477 
1 1 1 6  8  71  o 122.4967 10.93099 1.073862       0.1829511     1.188822       0.2590799     0.9595174      0.2583853     127.0100 15.06641 112.9282 17.10580 14.08179       22.79486 
1 1 1 6  8  72  o 131.6890 10.88130 1.242536       0.1960922     1.312355       0.2782170     1.173614       0.2764242     133.0034 15.43598 125.1579 16.38859 7.845535       22.51345 
1 1 1 6  8  73  o 106.6760 11.44198 0.8236957      0.1659097     0.8334405      0.2352452     0.8140519      0.2340229     104.6409 16.85336 103.3135 16.99566 1.327385       23.93509 
1 1 1 6  8  74  o 41.35612 15.31491 0.1060980      0.1160735     0.9597562E-01  0.1355814     0.1338779      0.2246077     42.03065 16.31723 51.12473 20.62854 -9.094078      26.30188 
1 1 1 6  8  75  o 109.4585 13.22802 0.8870047      0.1958763     0.8283307      0.2422353     0.9978436      0.3329355     103.1491 17.64123 109.5752 22.74882 -6.426086      28.78753 
1 1 1 6  8  76  o 91.93612 14.25184 0.6382425      0.1750674     0.7533044      0.2150042     0.4118696      0.3015736     98.78368 16.33325 70.05629 24.85909 28.72739       29.74474 
1 1 1 6  8  77  o 96.88185 13.59132 0.7049744      0.1768175     0.5948650      0.2733529     0.7841899      0.2318553     82.97540 23.03933 99.82023 17.45704 -16.84483      28.90604 
1 1 1 6  8  78  o 89.36445 14.96021 0.6132447      0.1780784     0.5294340      0.2563590     0.6913968      0.2475536     78.29199 22.51150 91.50103 20.13913 -13.20904      30.20517 
1 1 1 6  8  79  o 57.34139 15.91350 0.2597479      0.1304465     0.3218792      0.1841838     0.1972163      0.1847761     62.65660 19.34571 52.21807 19.32571 10.43853       27.34482 
1 1 1 6  8  80  o 69.57965 16.40917 0.3858759      0.1550940     0.3439708      0.2155380     0.4308706      0.2233423     64.08480 21.05841 71.02258 21.17653 -6.937782      29.86473 
1 1 1 6  8  81  o 113.4450 15.64403 0.9977302      0.2385405     0.8181030      0.2971487     1.323286       0.4000373     96.92118 22.61636 121.9249 24.60952 -25.00376      33.42347 
1 1 1 6  8  82  o 44.32162 16.47528 0.1326255      0.1345803     0.3254820      0.1759535     -0.1392489     0.2089128     62.77639 18.81393 36.03126 16.85468 26.74513       25.25953 
1 1 1 6  8  83  o 56.83667 17.10782 0.2596519      0.1452564     0.3017351      0.2041293     0.2164843      0.2067427     60.44032 20.50638 54.04120 20.35445 6.399117       28.89317 
1 1 1 6  8  84  o 33.47931 13.74774 0.4072527E-01  0.1018604     -0.1886570E-01 0.1513130     0.9010906E-01  0.1377458     35.17389 15.61178 40.95870 16.28074 -5.784809      22.55638 
1 1 1 6  8  85  o 124.5485 17.51143 1.233570       0.2928420     1.663899       0.5361411     1.050599       0.3495984     128.6910 30.61608 108.7665 23.92750 19.92448       38.85704 
1 1 1 6  8  86  o 71.16917 20.28271 0.4301956      0.2090025     1.034282       0.4054555     0.2115952      0.2439041     103.3632 27.80182 55.07000 21.73546 48.29319       35.28983 
1 1 1 6  8  87  o 117.3563 14.59842 1.055779       0.2314523     1.151552       0.3294648     0.9624555      0.3252223     116.6437 21.23793 104.5409 23.14126 12.10281       31.40967 
1 1 1 6  8  88  o 124.0617 14.64833 1.182993       0.2460958     1.138675       0.3485271     1.227060       0.3475389     113.8317 22.96568 119.4709 21.87310 -5.639214      31.71522 
1 1 1 6  8  89  o 165.7440 13.58726 2.084037       0.3082283     2.256636       0.4369237     1.913045       0.4348847     164.9819 19.56020 149.0047 21.77973 15.97713       29.27384 
1 1 1 6  8  90  o 129.5539 13.01874 1.275445       0.2297417     1.023866       0.3016048     1.623198       0.3545980     108.6747 20.85735 139.7658 18.85494 -31.09109      28.11650 
1 1 1 6  8  91  o 169.4108 12.19324 2.168264       0.2833245     2.099348       0.3709481     2.264759       0.4389421     160.4215 17.00534 162.0667 20.04158 -1.645187      26.28396 
1 1 1 6  8  92  o 91.43599 16.50421 0.6945933      0.2007095     0.7642612      0.2837696     0.6248501      0.2839227     88.83398 22.96541 78.49883 23.98318 10.33514       33.20547 
1 1 1 6  8  93  o 59.68147 17.06108 0.3122957      0.1476477     0.3869627      0.2229459     0.2539648      0.1970537     62.75670 21.43001 53.29284 19.91097 9.463863       29.25221 
1 1 1 6  8  94  o 32.92225 14.18896 0.2987862E-01  0.1171487     0.1648341      0.1757658     -0.7799135E-01 0.1571410     45.74144 18.32142 31.36227 14.65346 14.37916       23.46057 
1 1 1 6  8  95  o 71.04949 16.74610 0.4578129      0.1616036     0.5417830      0.2432722     0.3914919      0.2161998     69.66954 22.33359 60.27781 21.07784 9.391727       30.70936 
1 1 1 6  8  96  o 107.5625 16.10917 1.047059       0.2318981     1.022282       0.3270690     1.072106       0.3288451     89.27209 25.34895 92.40051 25.11567 -3.128418      35.68426 
1 1 1 6  8  97  o 62.01635 20.04373 0.4538800      0.1956401     0.4915271      0.2400731     0.3794515      0.3375576     59.97188 22.05819 49.79595 22.60453 10.17593       31.58368 
1 1 1 6  8  98  o 61.86485 20.76268 0.5236496      0.2092414     0.5830214      0.2571909     0.4074234      0.3598463     59.26198 22.61128 46.06450 21.72655 13.19749       31.35782 
1 1 1 6  8  99  o 19.50757 9.430358 -0.7919932E-01 0.7726379E-01 -0.5765591     0.1642769     0.6206984E-01  0.8755177E-01 19.08008 9.775755 29.42405 12.46085 -10.34397      15.83787 
1 1 1 6  8  100 o 33.09556 14.96458 0.1295780      0.1462221     0.3360652      0.2798713     0.5205185E-01  0.1714888     37.43827 18.06151 30.27569 14.48343 7.162579       23.15142 
1 1 1 6  8  101 o 33.94402 15.48280 0.2197807      0.1607968     0.4108289      0.3022621     0.1443736      0.1898969     33.80349 16.79026 30.51628 14.75992 3.287209       22.35550 
1 1 1 6  8  102 o 26.90657 12.93329 0.1153105      0.1404285     0.8586456E-01  0.2682570     0.1264258      0.1648154     26.05695 13.27785 26.97189 13.20152 -0.9149399     18.72382 
1 1 1 6  8  103 o 21.08920 10.54854 0.8931551E-02  0.1284478     -0.4133649     0.2378599     0.1827755      0.1526133     19.30487 9.972032 25.01265 12.33361 -5.707785      15.86062 
1 1 1 6  8  104 o 19.39482 9.926721 0.6429756E-01  0.1652080     0.9377424E-02  0.2710831     0.9674825E-01  0.2083764     19.10531 9.902638 19.59211 10.08559 -0.4867954     14.13441 
1 1 1 6  8  105 o 16.27819 8.368555 0.1692477E-01  0.1366146     -0.2868533     0.2384050     0.1654466      0.1666987     15.49180 8.054543 17.44039 8.979926 -1.948584      12.06295 
1 1 1 6  8  106 o 13.75835 7.143561 -0.5317083E-01 0.1616244     0.000000       0.000000      -0.5317083E-01 0.1616244     ?        ?        13.75835 7.143561 0.000000       7.143561 
1 1 1 6  8  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  0   o 341.3111 16.75396 8.196148       0.7852591     7.881306       1.109495      8.512160       1.111555      331.0512 24.58287 344.7628 23.60324 0.000000       0.000000 
1 1 1 6  9  1   o 197.6558 11.66675 2.737800       0.3170066     2.903706       0.4474498     2.570605       0.4491852     202.2345 16.15819 189.8112 17.32932 12.42325       23.69372 
1 1 1 6  9  2   o 309.6409 13.40634 6.721261       0.5732005     6.771725       0.7024848     6.620729       0.9915140     309.1851 16.51409 301.5074 24.01480 7.677673       29.14491 
1 1 1 6  9  3   o 177.8760 13.78070 2.232615       0.3358335     2.844883       0.4153377     1.076339       0.5707697     200.5024 15.11293 117.4820 33.53093 83.02032       36.77939 
1 1 1 6  9  4   o 136.0378 13.64333 1.310456       0.2528284     1.333192       0.3098134     1.265127       0.4374516     136.3624 16.80972 129.9111 25.29612 6.451309       30.37204 
1 1 1 6  9  5   o 211.3252 16.43019 3.172673       0.4756684     2.623566       0.6629922     3.755149       0.6828404     187.9397 26.26540 227.5825 22.00370 -39.64287      34.26419 
1 1 1 6  9  6   o 190.7190 16.48385 2.588097       0.4298337     2.432747       0.6041960     2.747291       0.6116254     181.5603 24.74457 193.7693 23.32801 -12.20900      34.00721 
1 1 1 6  9  7   o 209.8949 13.46344 3.101759       0.3881497     3.046927       0.4762909     3.210179       0.6697525     206.9090 16.81624 209.4990 23.56108 -2.590057      28.94669 
1 1 1 6  9  8   o 203.4718 13.46543 2.915833       0.3761840     2.727797       0.4604243     3.293403       0.6524352     195.5445 17.22796 212.6840 22.56039 -17.13951      28.38616 
1 1 1 6  9  9   o 178.9098 13.58711 2.258146       0.3331521     2.337319       0.4092229     2.102542       0.5736963     181.1215 16.54529 168.1876 25.50294 12.93390       30.39978 
1 1 1 6  9  10  o 311.6399 13.49743 6.813557       0.5808207     6.815120       0.7108055     6.810415       1.007577      309.9722 16.66817 305.5162 24.07911 4.455933       29.28535 
1 1 1 6  9  11  o 189.2317 13.42525 2.523866       0.3485188     2.657092       0.4263468     2.255532       0.6050735     193.3322 16.11748 174.0453 25.97216 19.28690       30.56675 
1 1 1 6  9  12  o 301.5276 13.42055 6.378430       0.5587728     6.004234       0.6784259     7.167665       0.9852715     290.7138 16.97425 314.2165 22.86534 -23.50275      28.47717 
1 1 1 6  9  13  o 294.5433 13.40420 6.086705       0.5451653     5.980813       0.6642821     6.305160       0.9541149     290.2822 16.64220 294.0404 23.70061 -3.758209      28.96000 
1 1 1 6  9  14  o 343.7711 13.52037 8.294957       0.6417943     7.982520       0.7803962     8.947827       1.128100      335.2994 16.91009 350.6780 23.43194 -15.37860      28.89649 
1 1 1 6  9  15  o 247.8642 11.66764 4.294740       0.3993327     4.677182       0.5639212     3.910062       0.5655659     256.8194 15.98125 234.0520 17.62925 22.76746       23.79476 
1 1 1 6  9  16  o 116.0189 12.04721 0.9515058      0.1901842     1.227415       0.2682678     0.6727259      0.2696597     131.1497 15.08867 95.03891 21.09852 36.11084       25.93868 
1 1 1 6  9  17  o 164.2656 11.65604 1.895839       0.2626677     1.928779       0.3695958     1.862223       0.3733693     164.2865 16.51625 161.2279 17.02871 3.058548       23.72264 
1 1 1 6  9  18  o 205.5336 11.57349 2.962586       0.3271251     2.908482       0.4612532     3.017339       0.4640086     201.9647 16.68916 205.8183 16.46475 -3.853653      23.44389 
1 1 1 6  9  19  o 108.9225 12.05730 0.8402247      0.1783032     0.8595923      0.2508910     0.8204608      0.2534462     108.8114 17.27563 106.0554 17.94695 2.756065       24.91065 
1 1 1 6  9  20  o 155.9079 11.71768 1.709754       0.2504146     1.632901       0.3527661     1.787816       0.3555296     150.7294 17.26042 158.0432 16.53639 -7.313828      23.90343 
1 1 1 6  9  21  o 168.3832 11.66844 1.992810       0.2696268     2.354509       0.3835407     1.639406       0.3791176     181.9516 15.41052 150.5207 18.63921 31.43092       24.18480 
1 1 1 6  9  22  o 310.7886 11.65495 6.759508       0.5001652     7.304286       0.7142597     6.235338       0.7006184     320.7025 16.18152 295.6912 17.23423 25.01135       23.64023 
1 1 1 6  9  23  o 120.5571 11.96429 1.027588       0.1965367     1.203841       0.2786838     0.8531916      0.2772120     129.4929 15.92113 107.6632 19.35861 21.82967       25.06467 
1 1 1 6  9  24  o 76.44370 12.99321 0.4213152      0.1322415     0.3828931      0.1861586     0.4604549      0.1878889     71.85945 18.61245 78.92298 17.67975 -7.063530      25.67093 
1 1 1 6  9  25  o 211.8701 11.65602 3.152751       0.3396914     2.967369       0.4775762     3.342578       0.4832667     203.5201 17.15399 216.4576 16.28813 -12.93752      23.65507 
1 1 1 6  9  26  o 162.9133 11.73662 1.868790       0.2622518     1.903790       0.3693602     1.833208       0.3724187     162.8650 16.65868 159.6006 17.16898 3.264359       23.92249 
1 1 1 6  9  27  f 203.8125 11.65933 2.919796       0.3267649     2.843113       0.4591861     2.998466       0.4651014     199.2008 16.85203 204.7141 16.59649 -5.513214      23.65236 
1 1 1 6  9  28  o 190.1253 11.68180 2.542974       0.3051964     2.626331       0.4307355     2.458934       0.4324957     191.5111 16.44802 184.9881 17.12598 6.522919       23.74524 
1 1 1 6  9  29  o 165.0171 11.82134 1.919302       0.2675759     2.265989       0.3796380     1.577068       0.3771928     178.0850 15.59565 147.0667 19.01985 31.01833       24.59632 
1 1 1 6  9  30  o 175.2619 11.74218 2.163774       0.2825243     2.243959       0.3990787     2.083209       0.4000223     176.8024 16.53894 170.0030 17.28103 6.799362       23.92009 
1 1 1 6  9  31  o 39.15198 13.21545 0.1011948      0.8477540E-01 0.1291508      0.1178238     0.7118756E-01  0.1220700     44.77966 15.56572 39.65593 15.45843 5.123726       21.93752 
1 1 1 6  9  32  o 66.70692 13.69695 0.3249730      0.1219386     0.3113164      0.1710507     0.3390848      0.1738784     64.93217 18.29483 67.59800 18.21671 -2.665825      25.81762 
1 1 1 6  9  33  o 156.2483 11.89533 1.723669       0.2547153     1.597684       0.3585538     1.852027       0.3619133     148.3539 17.86219 160.3768 16.58220 -12.02289      24.37268 
1 1 1 6  9  34  o 175.0360 11.81781 2.160463       0.2839562     2.054507       0.3995077     2.268641       0.4036741     168.6258 17.40834 177.5964 16.65566 -8.970581      24.09277 
1 1 1 6  9  35  o 193.8505 11.79106 2.648013       0.3141154     2.802425       0.4444205     2.493871       0.4440323     197.5983 16.43736 185.8537 17.50872 11.74452       24.01546 
1 1 1 6  9  36  o 80.09040 13.48000 0.4643471      0.1437816     0.6032458      0.2037511     0.3265695      0.2029271     90.55166 16.91751 66.69126 20.25377 23.86040       26.38972 
1 1 1 6  9  37  o 124.0610 12.27010 1.092524       0.2074391     1.016368       0.2935407     1.168497       0.2931859     117.5230 18.71644 126.7493 17.19567 -9.226242      25.41646 
1 1 1 6  9  38  o 175.7606 11.91339 2.180305       0.2874236     2.146830       0.4061593     2.213886       0.4067979     172.3546 17.29958 175.1634 17.03438 -2.808777      24.27850 
1 1 1 6  9  39  o 328.3123 11.89075 7.575341       0.5390565     7.234261       0.7591131     7.922284       0.7656103     317.2462 17.39529 332.5177 16.72801 -15.27148      24.13343 
1 1 1 6  9  40  o 140.3505 12.21684 1.395786       0.2343998     1.433136       0.3319980     1.358663       0.3309871     140.3961 17.50580 136.4525 18.00660 3.943558       25.11356 
1 1 1 6  9  41  o 111.3529 12.83019 0.8849782      0.1936671     0.8552092      0.2742574     0.9145868      0.2735173     107.3642 19.20454 111.3993 18.42545 -4.035110      26.61412 
1 1 1 6  9  42  o 56.29689 17.01256 0.2296406      0.1434347     0.2220947      0.1689038     0.2491562      0.2716277     56.43740 18.64626 63.40822 23.43856 -6.970818      29.95078 
1 1 1 6  9  43  o 176.3735 17.93988 2.258391       0.4308269     2.407898       0.6104370     2.110011       0.6081321     177.9147 25.58387 165.1274 27.64857 12.78732       37.66932 
1 1 1 6  9  44  o 73.26874 25.16605 0.3816024      0.3075373     0.000000       0.000000      0.3816024      0.3075373     ?        ?        73.26874 25.16605 0.000000       25.16605 
1 1 1 6  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  46  o 126.7010 17.61108 1.173784       0.2997771     1.359257       0.4258533     0.9915935      0.4220696     133.6141 23.96216 112.2112 27.46307 21.40288       36.44730 
1 1 1 6  9  47  o 233.1988 16.77028 3.916400       0.5364076     3.576065       0.7556623     4.262071       0.7615620     216.8871 25.73433 238.8039 23.39592 -21.91679      34.77966 
1 1 1 6  9  48  o 145.5847 12.46301 1.504773       0.2481247     1.389839       0.3502196     1.620606       0.3515870     137.4288 18.96037 149.2567 17.38503 -11.82791      25.72421 
1 1 1 6  9  49  o 99.16939 13.66408 0.7084928      0.1821409     0.8244105      0.2586267     0.5944221      0.2565579     105.4890 18.42589 88.40396 21.27463 17.08504       28.14469 
1 1 1 6  9  50  o 105.9174 13.37753 0.8054178      0.1912875     0.8527053      0.2707602     0.7582971      0.2702831     107.0897 19.00657 100.4175 20.19262 6.672226       27.73070 
1 1 1 6  9  51  o 139.3221 12.82556 1.381874       0.2439666     1.420523       0.3454607     1.343421       0.3445828     139.1165 18.43813 134.9845 19.01411 4.131989       26.48587 
1 1 1 6  9  52  o 119.2100 13.47856 1.018177       0.2179703     1.316610       0.3112585     0.7309847      0.3053399     134.3600 17.16958 97.50645 23.04332 36.85353       28.73655 
1 1 1 6  9  53  o 176.2902 12.46867 2.203813       0.3015613     2.291592       0.4316240     2.120104       0.4215004     177.3874 17.86470 170.3987 18.19539 6.988724       25.49941 
1 1 1 6  9  54  o 207.8144 12.26221 3.057194       0.3503111     2.932183       0.4970295     3.180593       0.4938156     200.6037 18.13966 209.5162 17.22148 -8.912476      25.01253 
1 1 1 6  9  55  o 79.72928 15.85655 0.4698631      0.1684231     0.3436641      0.2400961     0.5921251      0.2363212     68.48335 22.21194 88.46078 19.83650 -19.97742      29.78015 
1 1 1 6  9  56  o 129.1512 13.18154 1.193552       0.2317781     1.287899       0.3299879     1.101683       0.3256232     132.0236 18.61814 121.2700 20.15309 10.75365       27.43687 
1 1 1 6  9  57  f 142.4344 12.95199 1.448767       0.2519517     1.436495       0.3577725     1.460840       0.3548722     139.1975 19.11880 140.5668 18.75073 -1.369293      26.77907 
1 1 1 6  9  58  o 130.8682 13.22913 1.227726       0.2357754     1.438726       0.3366342     1.024556       0.3303287     139.7863 17.84773 116.0438 21.40370 23.74250       27.86862 
1 1 1 6  9  59  o 97.38367 12.68186 0.6831157      0.1664868     0.9429021      0.2775913     0.5371722      0.2080607     112.3666 18.53734 84.32741 18.38667 28.03917       26.10943 
1 1 1 6  9  60  o 136.1958 10.40196 1.312917       0.1941423     1.473565       0.2759732     1.155521       0.2731656     142.8888 14.17422 125.5641 16.12796 17.32466       21.47137 
1 1 1 6  9  61  o 122.3975 10.65972 1.064420       0.1783604     1.156954       0.2523952     0.9721123      0.2520846     126.0714 14.77901 114.7602 16.37219 11.31120       22.05602 
1 1 1 6  9  62  o 87.25704 11.50053 0.5485553      0.1351897     0.4605754      0.1917057     0.6355895      0.1906726     77.62995 18.20031 92.61405 15.45447 -14.98410      23.87660 
1 1 1 6  9  63  o 53.39774 13.68669 0.2127146      0.1013833     0.2969739      0.1457864     0.1338030      0.1410844     62.55717 16.60183 46.25623 16.92542 16.30094       23.70845 
1 1 1 6  9  64  o 89.99923 11.35740 0.5848228      0.1379993     0.5720221      0.1962722     0.5973375      0.1940674     86.79641 16.98461 89.00046 16.39557 -2.204048      23.60702 
1 1 1 6  9  65  o 80.01512 11.46255 0.4653784      0.1230277     0.4991545      0.1739071     0.4315399      0.1740680     81.13221 16.09163 74.89611 17.19481 6.236099       23.54999 
1 1 1 6  9  66  o 128.8972 10.66425 1.191170       0.1881021     1.180678       0.2662456     1.201627       0.2657880     125.7146 15.67843 126.9534 15.48261 -1.238792      22.03462 
1 1 1 6  9  67  o 60.24773 14.17027 0.2756529      0.1159087     0.3884564      0.1648083     0.1652503      0.1630451     70.63285 17.08445 49.70952 18.19415 20.92333       24.95808 
1 1 1 6  9  68  o 61.35791 15.27075 0.2900386      0.1288666     0.2284355      0.1563117     0.4207465      0.2276887     54.87188 17.92854 71.72154 21.38084 -16.84966      27.90292 
1 1 1 6  9  69  o 44.41328 14.80736 0.1425659      0.1064268     0.1188456      0.1261794     0.2010416      0.1981148     43.11469 15.96739 53.74758 19.98740 -10.63289      25.58229 
1 1 1 6  9  70  o 29.62342 12.29438 0.2261656E-01  0.8263723E-01 -0.8715284E-02 0.1178788     0.5289498E-01  0.1158802     32.09305 14.02769 36.33775 14.76238 -4.244701      20.36428 
1 1 1 6  9  71  o 68.36810 13.73914 0.3567409      0.1252031     0.2561422      0.1968548     0.4250787      0.1622485     57.47145 20.11184 73.46687 16.40815 -15.99541      25.95599 
1 1 1 6  9  72  o 57.25413 15.03898 0.2560661      0.1204301     0.1838538      0.1893585     0.3051135      0.1560586     51.53575 19.46400 61.66335 17.51010 -10.12760      26.18111 
1 1 1 6  9  73  o 38.66887 14.84062 0.8699579E-01  0.1111966     0.2913345E-01  0.1649045     0.1352431      0.1505813     39.43307 16.91198 45.67518 17.33142 -6.242111      24.21555 
1 1 1 6  9  74  o 105.9243 13.58539 0.8469189      0.1941242     0.6264045      0.2321524     1.359542       0.3539597     86.81408 19.80429 128.0803 20.72170 -41.26620      28.66354 
1 1 1 6  9  75  o 108.6301 12.75854 0.8828930      0.1877328     0.9973123      0.2436742     0.7157998      0.2944690     113.1353 16.04798 89.69145 23.49573 23.44386       28.45324 
1 1 1 6  9  76  o 47.92085 14.96497 0.1766884      0.1098602     0.2083026      0.1616615     0.1495604      0.1497528     52.12771 18.22652 46.62138 17.36950 5.506332       25.17747 
1 1 1 6  9  77  o 69.02859 14.79222 0.3726342      0.1367529     0.3892076      0.2065319     0.3596951      0.1824878     67.71344 20.40357 65.76172 19.01773 1.951721       27.89229 
1 1 1 6  9  78  o 106.4790 11.97910 0.8422934      0.1730689     0.9423427      0.2454880     0.7434279      0.2440314     109.1975 16.82099 94.92461 19.27585 14.27288       25.58328 
1 1 1 6  9  79  o 59.32604 16.41050 0.2819822      0.1389625     0.1718107      0.2439413     0.3349086      0.1690781     52.78677 21.42820 63.84647 18.25925 -11.05970      28.15258 
1 1 1 6  9  80  o 111.0086 13.41458 0.9298375      0.2014526     0.7925442      0.3316900     1.010082       0.2535805     92.66982 25.23875 113.2415 16.71998 -20.57166      30.27462 
1 1 1 6  9  81  o 65.98170 16.84227 0.3514901      0.1539690     0.5586647      0.2591276     0.2384306      0.1914251     79.50319 22.55882 55.27103 19.78496 24.23216       30.00575 
1 1 1 6  9  82  o 116.5606 12.65082 1.017393       0.2003455     0.8441465      0.2625987     1.258678       0.3099037     100.8817 19.55733 124.5843 18.58302 -23.70258      26.97810 
1 1 1 6  9  83  o 94.09251 13.85757 0.6785741      0.1746531     0.5032375      0.2285330     0.9247771      0.2708066     75.99744 21.05328 105.6292 19.27713 -29.63176      28.54555 
1 1 1 6  9  84  o 92.25751 13.68069 0.6542188      0.1689993     0.6834673      0.2217938     0.6137298      0.2609555     90.88426 18.30647 82.51807 22.35004 8.366188       28.89034 
1 1 1 6  9  85  o 126.3716 12.40974 1.206093       0.2137527     0.9590317      0.2776324     1.565713       0.3349572     106.1062 19.67365 138.0245 18.00376 -31.91828      26.66810 
1 1 1 6  9  86  o 64.31371 17.14603 0.3496569      0.1550443     0.2507651      0.2163514     0.4540625      0.2223010     54.82248 20.78109 70.24050 21.16887 -15.41802      29.66437 
1 1 1 6  9  87  o 91.39930 13.92251 0.6632512      0.1701597     0.9001170      0.2587879     0.4828500      0.2258460     101.1989 19.22242 71.25461 21.30608 29.94431       28.69583 
1 1 1 6  9  88  o 104.3983 14.96119 0.8921291      0.2095079     1.020571       0.2955473     0.7623898      0.2970360     103.9326 21.30930 85.12191 24.15244 18.81065       32.20911 
1 1 1 6  9  89  o 71.01381 17.18833 0.4509099      0.1667318     0.4327957      0.2336219     0.4697137      0.2380285     64.10710 21.93688 66.60738 22.14156 -2.500282      31.16850 
1 1 1 6  9  90  f 76.22998 17.11112 0.5300193      0.1756937     0.5435764      0.2462584     0.5159645      0.2507391     69.47530 22.49118 67.04005 22.72736 2.435257       31.97477 
1 1 1 6  9  91  o 117.6495 15.04275 1.214412       0.2387791     1.162041       0.3347088     1.268688       0.3407413     97.67807 24.77778 103.7704 24.22122 -6.092377      34.64976 
1 1 1 6  9  92  o 44.17474 17.48390 0.1981582      0.1582280     0.2501507      0.1891926     0.7715803E-01  0.2886202     47.20605 18.97285 40.82199 19.31616 6.384068       27.07551 
1 1 1 6  9  93  o 65.98825 20.83406 0.5723423      0.2123197     0.7311006      0.2575403     0.2355109      0.3751312     70.11050 23.01805 42.67389 20.66560 27.43660       30.93376 
1 1 1 6  9  94  o 36.56232 16.75388 0.1376164      0.1911441     -0.3172300     0.2701654     0.5934955      0.2704719     28.93865 14.58501 53.40258 22.20931 -24.46393      26.57021 
1 1 1 6  9  95  o 36.03347 16.69702 0.1943179      0.1975227     0.2542645E-02  0.2827494     0.3771124      0.2760496     31.87933 15.89989 39.68326 18.81020 -7.803934      24.62987 
1 1 1 6  9  96  o 37.25969 17.57805 0.3888740      0.2358103     0.4937869      0.3403073     0.2919705      0.3270593     35.28532 17.57368 32.78025 16.45802 2.505066       24.07698 
1 1 1 6  9  97  o 23.97993 11.94058 -0.3176389E-01 0.1567692     0.1563233      0.2321187     -0.1895162     0.2125781     28.14400 14.09237 23.21756 11.83001 4.926441       18.39957 
1 1 1 6  9  98  o 25.00240 12.83688 0.2552451      0.3003102     0.2552451      0.3003102     0.000000       0.000000      25.00240 12.83688 ?        ?        0.000000       12.83688 
1 1 1 6  9  99  o 21.54760 11.13723 0.2992091      0.3070332     0.2992091      0.3070332     0.000000       0.000000      21.54760 11.13723 ?        ?        0.000000       11.13723 
1 1 1 6  9  100 o 15.17657 7.836284 -0.2226972     0.1436073     -0.2226972     0.1436073     0.000000       0.000000      15.17657 7.836284 ?        ?        0.000000       7.836284 
1 1 1 6  9  101 o 15.49109 8.062586 0.2002994      0.2871911     0.2002994      0.2871911     0.000000       0.000000      15.49109 8.062586 ?        ?        0.000000       8.062586 
1 1 1 6  9  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 0   o 107.8878 30.79698 1.010826       0.3976239     0.000000       0.000000      1.010826       0.3976239     107.8878 30.79698 107.8878 30.79698 0.000000       0.000000 
1 1 1 6  10 1   o 185.1234 16.99628 2.465528       0.4296117     1.779632       0.5990933     3.191630       0.6164019     150.7837 29.83053 208.2914 21.75252 -57.50771      36.91927 
1 1 1 6  10 2   o 252.0748 16.73586 4.550847       0.5792148     4.145499       0.8119689     4.970824       0.8264910     235.1244 25.41370 259.2110 23.34156 -24.08667      34.50630 
1 1 1 6  10 3   o 128.7611 25.46120 1.267253       0.4366508     0.000000       0.000000      1.267253       0.4366508     ?        ?        128.7611 25.46120 0.000000       25.46120 
1 1 1 6  10 4   o 144.6216 13.75366 1.488903       0.2713492     1.495533       0.3316507     1.475477       0.4719398     143.8163 17.03156 139.1589 25.50026 4.657425       30.66492 
1 1 1 6  10 5   o 208.9255 16.65945 3.131100       0.4766118     2.835812       0.6676199     3.438008       0.6806301     193.9825 25.54601 215.2946 23.26485 -21.31210      34.55216 
1 1 1 6  10 6   o 299.3389 16.70495 6.410775       0.6877186     5.906125       0.9630404     6.935929       0.9824107     281.2302 25.06224 306.3486 23.40113 -25.11844      34.28891 
1 1 1 6  10 7   o 114.4525 25.51305 1.007487       0.3929126     0.000000       0.000000      1.007487       0.3929126     ?        ?        114.4525 25.51305 0.000000       25.51305 
1 1 1 6  10 8   o 101.4023 18.18502 0.7578633      0.2452695     1.009302       0.3482288     0.5103295      0.3455141     115.7028 22.60694 82.71381 26.62678 32.98897       34.92934 
1 1 1 6  10 9   o 238.0234 17.08527 4.067808       0.5578024     5.975287       0.8186568     2.414860       0.7620817     286.1202 20.86504 174.0459 32.91605 112.0743       38.97200 
1 1 1 6  10 10  o 367.5781 13.76259 9.542029       0.6985344     10.03044       0.8618855     8.607059       1.192493      374.9286 16.64803 339.1013 25.65752 35.82733       30.58538 
1 1 1 6  10 11  o 352.0778 13.72569 8.754029       0.6672840     8.266639       0.8108363     9.776801       1.174584      339.4792 17.35546 363.6885 23.51514 -24.20932      29.22626 
1 1 1 6  10 12  o 129.5470 13.99435 1.199016       0.2463559     1.248521       0.3010421     1.098647       0.4286470     131.2059 17.01715 119.0491 26.73026 12.15682       31.68738 
1 1 1 6  10 13  o 142.9510 13.84311 1.456350       0.2698261     1.638549       0.3301479     1.089823       0.4682622     150.9121 16.09150 117.5891 29.01685 33.32294       33.18002 
1 1 1 6  10 14  o 208.4936 13.56090 3.080979       0.3882854     3.057580       0.4730965     3.129267       0.6796365     206.3077 16.75186 204.3147 24.58355 1.992981       29.74854 
1 1 1 6  10 15  o 267.8561 13.53306 5.077307       0.4989146     4.881357       0.6059710     5.489659       0.8790494     260.8467 16.91520 271.9466 23.64481 -11.09985      29.07234 
1 1 1 6  10 16  o 202.2915 13.59756 2.901920       0.3776125     3.020660       0.4612716     2.660665       0.6574996     205.1864 16.41811 187.2215 26.14677 17.96490       30.87407 
1 1 1 6  10 17  o 131.7888 12.15492 1.230818       0.2186989     1.677269       0.3081023     0.7774342      0.3104854     153.1627 14.75051 101.1168 22.78346 52.04594       27.14155 
1 1 1 6  10 18  o 240.7452 11.67163 4.069343       0.3879961     4.142877       0.5454341     3.994016       0.5520444     240.3958 16.53200 235.7306 17.07548 4.665253       23.76719 
1 1 1 6  10 19  o 236.4659 11.67352 3.926253       0.3811608     3.585814       0.5342132     4.279289       0.5440058     223.0710 17.48334 244.4974 16.20542 -21.42647      23.83868 
1 1 1 6  10 20  o 138.1568 12.02032 1.351203       0.2270265     1.341823       0.3195681     1.360760       0.3225810     135.8660 17.43627 136.8208 17.47357 -0.9548340     24.68500 
1 1 1 6  10 21  o 86.86040 13.14023 0.5432989      0.1526779     0.5372590      0.2132219     0.5496542      0.2187215     84.84016 18.70423 85.76099 18.97261 -0.9208298     26.64223 
1 1 1 6  10 22  o 129.9258 14.21240 1.208192       0.2508186     1.482830       0.3064330     0.6506946      0.4365924     143.5558 15.71554 92.09303 29.95697 51.46281       33.82896 
1 1 1 6  10 23  o 290.4546 13.66161 5.962650       0.5479211     6.511285       0.6746759     4.899802       0.9390516     301.6837 16.25590 253.6781 27.23449 48.00568       31.71705 
1 1 1 6  10 24  o 303.0584 13.72853 6.493610       0.5744976     6.530816       0.7025756     6.418538       0.9980127     301.6629 16.93532 292.7026 24.93042 8.960327       30.13853 
1 1 1 6  10 25  o 111.2660 14.74795 0.8924260      0.2210018     1.353918       0.2698376     -0.4790035E-01 0.3851765     137.5230 14.42462 57.07657 25.14108 80.44643       28.98523 
1 1 1 6  10 26  o 262.5181 13.73490 4.885942       0.4961474     4.863160       0.6046676     4.932889       0.8679906     260.1542 16.92456 256.3955 24.82796 3.758667       30.04776 
1 1 1 6  10 27  o 340.2978 13.76885 8.191548       0.6469856     7.634134       0.7820351     9.400577       1.151742      325.7497 17.44959 355.7906 23.57711 -30.04099      29.33204 
1 1 1 6  10 28  o 164.1482 17.22485 1.950718       0.3845981     2.054698       0.5328553     1.837645       0.5556696     165.0459 24.09104 154.2698 27.07287 10.77611       36.23974 
1 1 1 6  10 29  o 138.4088 17.74462 1.396655       0.3313226     1.339366       0.4553741     1.461097       0.4829642     131.7546 25.95353 137.5252 26.39264 -5.770599      37.01563 
1 1 1 6  10 30  o 200.2955 17.16317 2.896161       0.4701013     0.000000       0.000000      2.896161       0.4701013     ?        ?        200.2955 17.16317 0.000000       17.16317 
1 1 1 6  10 31  o 209.2908 17.10008 3.160277       0.4898639     0.000000       0.000000      3.160277       0.4898639     ?        ?        209.2908 17.10008 0.000000       17.10008 
1 1 1 6  10 32  o 101.3094 18.94048 0.7634057      0.2552175     0.000000       0.000000      0.7634057      0.2552175     ?        ?        101.3094 18.94048 0.000000       18.94048 
1 1 1 6  10 33  o 44.57238 17.61509 0.8590426E-01  0.1603900     0.000000       0.000000      0.8590426E-01  0.1603900     ?        ?        44.57238 17.61509 0.000000       17.61509 
1 1 1 6  10 34  f 51.23463 17.24586 0.1788583      0.1443655     -0.5180423E-01 0.2330171     0.3225512      0.1839149     44.04889 19.47069 65.92485 19.09977 -21.87596      27.27469 
1 1 1 6  10 35  o 199.3967 13.70934 2.827686       0.3751679     2.921562       0.4636893     2.649750       0.6383876     201.2221 16.84327 186.5774 25.44254 14.64470       30.51260 
1 1 1 6  10 36  o 61.27999 15.93677 0.2781178      0.1361201     0.2455416      0.1711215     0.3342458      0.2246176     58.57702 18.72625 67.58732 21.43855 -9.010296      28.46549 
1 1 1 6  10 37  o 75.82260 14.26041 0.4203526      0.1438229     0.3122998      0.2016605     0.5322075      0.2051778     65.26603 20.25785 84.42587 18.14067 -19.15984      27.19309 
1 1 1 6  10 38  o 204.4654 11.95688 2.953112       0.3361088     3.155121       0.4763220     2.752777       0.4743434     209.2073 16.62579 194.7093 17.84122 14.49799       24.38700 
1 1 1 6  10 39  o 175.7759 12.16759 2.187012       0.2935096     2.496991       0.4183390     1.886493       0.4119063     186.0428 16.45429 160.3735 18.96802 25.66931       25.11035 
1 1 1 6  10 40  o 129.7853 12.65718 1.199578       0.2239430     1.555187       0.3207353     0.8613046      0.3128195     146.6522 16.10383 106.4496 22.00892 40.20260       27.27134 
1 1 1 6  10 41  o 46.31302 14.49546 0.1517943      0.1030097     0.6600774E-01  0.1452662     0.2385601      0.1460929     41.56146 16.65296 57.17966 17.14484 -15.61820      23.90118 
1 1 1 6  10 42  o 105.4113 13.04587 0.7968032      0.1858332     0.7987612      0.2635068     0.7948660      0.2621144     103.4608 19.15028 103.2241 19.09282 0.2366867      27.04198 
1 1 1 6  10 43  o 105.5389 13.19207 0.7996234      0.1880496     0.7759485      0.2664954     0.8231028      0.2653926     101.7024 19.68822 105.0893 18.98792 -3.386932      27.35264 
1 1 1 6  10 44  o 157.1850 12.34397 1.754108       0.2657645     1.887775       0.3766262     1.621539       0.3750741     161.0854 17.19816 148.4834 18.70904 12.60199       25.41269 
1 1 1 6  10 45  o 67.49506 15.04884 0.3372140      0.1366775     0.4215194      0.1931099     0.2525915      0.1934728     74.77115 18.74057 59.82518 19.96557 14.94596       27.38308 
1 1 1 6  10 46  o 251.3772 12.01935 4.459982       0.4172005     4.375031       0.5878842     4.546175       0.5921602     245.4933 17.45636 250.4243 17.22961 -4.931030      24.52721 
1 1 1 6  10 47  o 171.2185 12.46127 2.083782       0.2925912     2.494282       0.4153581     1.679438       0.4122323     185.5455 16.38009 149.9938 20.43546 35.55171       26.18999 
1 1 1 6  10 48  o 92.01048 14.41925 0.6171659      0.1771778     0.7937494      0.2528385     0.4467877      0.2483563     103.0863 18.43941 76.39479 22.21299 26.69156       28.86917 
1 1 1 6  10 49  o 78.77724 15.05711 0.4581217      0.1578167     0.2752031      0.2241720     0.6378588      0.2222139     62.51642 21.48530 92.21713 18.09730 -29.70071      28.09147 
1 1 1 6  10 50  o 85.02037 14.62831 0.5307865      0.1655402     0.3131070      0.2342721     0.7478614      0.2339466     65.60249 21.96971 100.1514 17.55700 -34.54893      28.12324 
1 1 1 6  10 51  o 108.9087 13.35389 0.8570095      0.1966133     1.077429       0.2820023     0.6485191      0.2742655     120.5593 17.44734 91.27189 22.01626 29.28744       28.09137 
1 1 1 6  10 52  o 133.7394 13.00145 1.286373       0.2370634     1.436369       0.3375352     1.140357       0.3330268     138.9670 18.01401 122.3679 20.42970 16.59904       27.23742 
1 1 1 6  10 53  o 42.38647 15.86504 0.1034343      0.1252186     0.1186347      0.1787588     0.8878998E-01  0.1754590     47.95962 18.70346 45.60558 18.29183 2.354038       26.16124 
1 1 1 6  10 54  o 153.3154 12.86919 1.692856       0.2699222     1.574641       0.3834246     1.809001       0.3800529     143.8932 19.82381 155.5485 18.02885 -11.65533      26.79595 
1 1 1 6  10 55  o 211.6772 12.43963 3.216799       0.3619981     3.403085       0.5163291     3.036711       0.5076662     213.6860 17.65715 201.0856 18.49065 12.60043       25.56715 
1 1 1 6  10 56  o 217.3034 12.54665 3.399433       0.3748702     3.682389       0.5337438     3.123979       0.5266209     221.9422 17.55965 203.0191 19.00673 18.92310       25.87658 
1 1 1 6  10 57  o 89.58935 16.04760 0.6068769      0.1912292     0.7396731      0.2699681     0.4731500      0.2709122     96.52448 20.86358 76.31451 23.44586 20.20997       31.38467 
1 1 1 6  10 58  o 177.8944 13.00879 2.302526       0.3173328     2.235246       0.4492806     2.369505       0.4482739     170.0614 19.48416 175.8030 18.75582 -5.741562      27.04465 
1 1 1 6  10 59  o 86.15138 16.47655 0.5698240      0.1888619     0.5269153      0.2663654     0.6132036      0.2678226     79.64573 22.95999 86.22153 22.32094 -6.575806      32.02164 
1 1 1 6  10 60  o 30.00385 13.01656 -0.5047860E-02 0.9990161E-01 0.5299171E-01  0.1335966     -0.7867209E-01 0.1504678     38.40238 15.75396 32.60350 14.91221 5.798885       21.69242 
1 1 1 6  10 61  o 116.9770 14.09209 1.021854       0.2230406     0.9995299      0.3124684     1.045044       0.3184713     110.7275 21.20904 113.3420 21.12616 -2.614517      29.93557 
1 1 1 6  10 62  f 119.1182 14.33387 1.065853       0.2310322     1.014743       0.3214507     1.120464       0.3322759     110.6665 21.81138 116.7862 21.39323 -6.119652      30.55171 
1 1 1 6  10 63  o 155.0362 13.39434 1.785498       0.2839268     1.866341       0.3980523     1.701764       0.4051068     153.0587 19.26059 144.4414 20.92050 8.617233       28.43656 
1 1 1 6  10 64  o 61.67054 20.08317 0.3086638      0.1962003     0.5358225      0.3681652     0.2185629      0.2318688     76.44187 27.43035 55.72464 21.41988 20.71723       34.80281 
1 1 1 6  10 65  o 45.24355 15.32113 0.1501174      0.1139466     0.5063643E-01  0.1758227     0.2221564      0.1496196     41.72994 17.66461 53.45853 17.54415 -11.72859      24.89649 
1 1 1 6  10 66  o 144.4393 14.84820 1.587830       0.2919237     1.385309       0.3657755     1.943151       0.4844956     128.9054 21.29319 149.3004 24.33995 -20.39500      32.33935 
1 1 1 6  10 67  o 45.13601 15.18010 0.1508341      0.1118509     0.2364777E-01  0.1386952     0.3874154      0.1891609     36.40686 15.55915 68.31045 19.23625 -31.90358      24.74107 
1 1 1 6  10 68  o 112.9141 13.34640 0.9598565      0.2040651     1.234450       0.2833213     0.6638370      0.2941675     125.3791 16.78633 85.90074 23.91779 39.47840       29.22057 
1 1 1 6  10 69  o 98.63744 12.51654 0.7279870      0.1666396     0.9154736      0.2526295     0.5835806      0.2217134     106.9604 17.72571 83.68825 19.54081 23.27210       26.38265 
1 1 1 6  10 70  o 126.0686 10.79616 1.162471       0.1861249     1.130474       0.2628319     1.194658       0.2636105     120.2532 16.24438 124.0844 15.73924 -3.831238      22.61865 
1 1 1 6  10 71  o 80.38818 12.82560 0.4885087      0.1375819     0.4777426      0.1946209     0.4992636      0.1945194     76.05369 18.67025 77.98740 18.36665 -1.933716      26.18992 
1 1 1 6  10 72  o 66.36740 13.44540 0.3383645      0.1189935     0.3317788      0.1712786     0.3445086      0.1654377     63.50933 18.44118 64.90560 17.88590 -1.396275      25.69013 
1 1 1 6  10 73  o 84.60815 14.12464 0.5489968      0.1591990     0.5691126      0.2700766     0.5382857      0.1970775     79.95055 23.14013 81.34114 18.02082 -1.390587      29.32943 
1 1 1 6  10 74  o 72.31850 15.35244 0.4112199      0.1485678     0.5278779      0.2551054     0.3513469      0.1827586     77.36868 22.51757 65.01912 19.09801 12.34956       29.52584 
1 1 1 6  10 75  o 55.15549 14.16200 0.2377405      0.1084141     0.2928542      0.1564349     0.1868072      0.1503853     59.96685 17.68487 49.82368 17.56799 10.14317       24.92767 
1 1 1 6  10 76  o 47.93036 14.31094 0.1781674      0.1019473     0.2176050E-01  0.1446677     0.3324628      0.1436878     36.72118 15.79712 64.31137 16.19128 -27.59019      22.62093 
1 1 1 6  10 77  o 48.99998 14.18512 0.1877039      0.1014799     0.2533488      0.1444449     0.1237239      0.1426014     55.88492 17.11176 43.76171 16.80355 12.12321       23.98274 
1 1 1 6  10 78  o 101.4657 11.60990 0.7694527      0.1597339     0.7483202      0.2268072     0.7902496      0.2249994     95.39207 17.87578 98.72048 17.12675 -3.328415      24.75620 
1 1 1 6  10 79  o 26.30659 11.42242 -0.1255412E-02 0.7706256E-01 0.5041189E-01  0.1114504     -0.4858765E-01 0.1066724     34.91981 14.36458 27.60071 12.59766 7.319094       19.10608 
1 1 1 6  10 80  o 38.28109 13.98660 0.1022471      0.9629296E-01 0.6173349E-01  0.1383619     0.1403009      0.1340959     38.00932 15.85262 43.93629 16.42315 -5.926964      22.82598 
1 1 1 6  10 81  f 42.15873 15.03743 0.1355494      0.1104859     0.2236154      0.1557942     0.4644381E-01  0.1567111     51.32717 17.89574 38.15355 16.42731 13.17362       24.29226 
1 1 1 6  10 82  o 91.77085 13.35391 0.6711926      0.1642568     0.6577052      0.2168701     0.6893401      0.2515594     85.32976 18.90379 84.14799 21.55442 1.181770       28.66961 
1 1 1 6  10 83  o 42.68910 15.26606 0.1479445      0.1139413     0.2398152      0.1517995     0.2938941E-01  0.1724416     51.45493 17.68036 37.47585 16.64826 13.97908       24.28497 
1 1 1 6  10 84  o 97.79282 13.55640 0.7883262      0.1781348     0.7093515      0.2326307     0.9002773      0.2769726     84.47079 20.21445 92.99745 21.92613 -8.526657      29.82246 
1 1 1 6  10 85  o 60.49514 16.20247 0.3413981      0.1380561     0.2079851      0.1798463     0.5327975      0.2154134     46.49920 18.56523 69.62378 20.80582 -23.12458      27.88459 
1 1 1 6  10 86  o 92.09397 16.88865 0.8152210      0.2068507     0.9243522      0.2402132     0.5021557      0.4068551     94.55921 19.05574 52.81940 24.29149 41.73981       30.87390 
1 1 1 6  10 87  o 29.92676 13.36067 0.2503266E-01  0.1124995     0.3670696E-01  0.1292977     -0.1134359E-01 0.2282361     31.81624 14.25518 35.06671 16.75701 -3.250467      22.00017 
1 1 1 6  10 88  o 62.71387 18.98505 0.4973577      0.1785086     0.4376756      0.2062520     0.6755188      0.3563547     53.47710 20.28566 51.13543 23.21751 2.341667       30.83117 
1 1 1 6  10 89  o 52.36152 20.39350 0.5057952      0.2123102     0.5815485      0.2646524     0.3690202      0.3556136     49.61257 21.35452 39.02855 19.16196 10.58402       28.69139 
1 1 1 6  10 90  o 44.99675 18.94518 0.4460856      0.2004946     0.5271163      0.2498551     0.2995557      0.3359901     43.09920 19.51797 34.35562 17.16556 8.743580       25.99246 
1 1 1 6  10 91  o 30.33446 14.28528 0.1531884      0.1544706     0.1302556      0.1943618     0.1925121      0.2545128     29.18013 14.29376 29.95864 14.96434 -0.7785149     20.69403 
1 1 1 6  10 92  o 24.42013 12.25300 0.3261797E-01  0.1798844     0.3261797E-01  0.1798844     0.000000       0.000000      24.42013 12.25300 ?        ?        0.000000       12.25300 
1 1 1 6  10 93  o 21.11914 10.80928 -0.4041993E-01 0.1958974     -0.4041993E-01 0.1958974     0.000000       0.000000      21.11914 10.80928 ?        ?        0.000000       10.80928 
1 1 1 6  10 94  f 20.20454 10.44747 0.2333435      0.2741079     0.2333435      0.2741079     0.000000       0.000000      20.20454 10.44747 ?        ?        0.000000       10.44747 
1 1 1 6  10 95  o 16.15858 8.366444 -0.6869043E-01 0.1811293     -0.6869043E-01 0.1811293     0.000000       0.000000      16.15858 8.366444 ?        ?        0.000000       8.366444 
1 1 1 6  10 96  o 14.66413 7.624864 0.4002440E-01  0.2179092     0.4002440E-01  0.2179092     0.000000       0.000000      14.66413 7.624864 ?        ?        0.000000       7.624864 
1 1 1 6  10 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 3   o 242.5667 24.60354 4.427589       0.8126720     0.000000       0.000000      4.427589       0.8126720     ?        ?        242.5667 24.60354 0.000000       24.60354 
1 1 1 6  11 4   o 180.5234 17.13938 2.357595       0.4221115     2.239648       0.5943826     2.477606       0.5995625     171.0670 25.97988 180.9089 24.64257 -9.841873      35.80797 
1 1 1 6  11 5   o 257.6750 24.62436 4.993425       0.8654767     0.000000       0.000000      4.993425       0.8654767     ?        ?        257.6750 24.62436 0.000000       24.62436 
1 1 1 6  11 6   o 305.7958 24.59637 7.018519       1.029797      0.000000       0.000000      7.018519       1.029797      ?        ?        305.7958 24.59637 0.000000       24.59637 
1 1 1 6  11 7   o 237.8941 24.63980 4.261992       0.7976570     0.000000       0.000000      4.261992       0.7976570     ?        ?        237.8941 24.63980 0.000000       24.63980 
1 1 1 6  11 8   o 113.0823 26.21338 0.9977823      0.4013315     0.000000       0.000000      0.9977823      0.4013315     ?        ?        113.0823 26.21338 0.000000       26.21338 
1 1 1 6  11 9   o 110.4124 26.38531 0.9532663      0.3967841     0.000000       0.000000      0.9532663      0.3967841     ?        ?        110.4124 26.38531 0.000000       26.38531 
1 1 1 6  11 10  o 147.7155 25.49829 1.673663       0.5012887     0.000000       0.000000      1.673663       0.5012887     ?        ?        147.7155 25.49829 0.000000       25.49829 
1 1 1 6  11 11  o 140.3038 25.69846 1.515696       0.4795210     1.515696       0.4795210     0.000000       0.000000      140.3038 25.69846 ?        ?        0.000000       25.69846 
1 1 1 6  11 12  f 102.0268 25.82853 0.8122865      0.3642193     0.8122865      0.3642193     0.000000       0.000000      102.0268 25.82853 ?        ?        0.000000       25.82853 
1 1 1 6  11 13  o 194.7305 24.96875 2.874446       0.6559164     2.874446       0.6559164     0.000000       0.000000      194.7305 24.96875 ?        ?        0.000000       24.96875 
1 1 1 6  11 14  o 123.8850 26.10157 1.192807       0.4324115     1.192807       0.4324115     0.000000       0.000000      123.8850 26.10157 ?        ?        0.000000       26.10157 
1 1 1 6  11 15  o 278.3935 24.56297 5.827745       0.9345495     5.827745       0.9345495     0.000000       0.000000      278.3935 24.56297 ?        ?        0.000000       24.56297 
1 1 1 6  11 16  o 130.4980 17.74722 1.245935       0.3115002     1.245935       0.3115002     0.000000       0.000000      130.4980 17.74722 ?        ?        0.000000       17.74722 
1 1 1 6  11 17  o 216.4476 16.88169 3.379689       0.5005636     3.379689       0.5005636     0.000000       0.000000      216.4476 16.88169 ?        ?        0.000000       16.88169 
1 1 1 6  11 18  o 239.1267 16.88950 4.121747       0.5540908     4.121747       0.5540908     0.000000       0.000000      239.1267 16.88950 ?        ?        0.000000       16.88950 
1 1 1 6  11 19  o 157.1984 13.93467 1.764640       0.2993352     1.682130       0.3613876     1.944960       0.5342466     151.9994 17.54041 159.5964 25.06900 -7.597000      30.59610 
1 1 1 6  11 20  o 135.3998 12.33919 1.302533       0.2281644     1.145993       0.3164294     1.472068       0.3293018     124.5366 19.00294 142.2541 17.10758 -17.71746      25.56914 
1 1 1 6  11 21  o 151.1981 12.16354 1.620678       0.2517990     1.431046       0.3508271     1.822149       0.3616129     139.5592 18.67339 158.5913 16.76729 -19.03203      25.09656 
1 1 1 6  11 22  o 162.1700 12.09733 1.862608       0.2689437     1.581251       0.3754767     2.159040       0.3854051     146.6435 18.98903 172.9479 16.33187 -26.30441      25.04622 
1 1 1 6  11 23  o 139.5277 12.30427 1.382688       0.2346305     1.329605       0.3287484     1.437801       0.3349744     134.6464 18.14395 140.2933 17.68459 -5.646881      25.33668 
1 1 1 6  11 24  o 123.4289 12.55748 1.085616       0.2110408     1.220658       0.2962378     0.9464515      0.3007262     129.3766 16.99343 112.4771 20.10052 16.89954       26.32124 
1 1 1 6  11 25  o 267.2898 11.81182 5.030768       0.4359505     5.184965       0.6174719     4.877511       0.6155866     268.2632 16.75317 259.8313 17.25586 8.431885       24.05064 
1 1 1 6  11 26  o 142.3578 12.22283 1.438997       0.2379352     1.781606       0.3373123     1.099702       0.3356762     157.1568 15.75613 121.0788 20.82880 36.07795       26.11694 
1 1 1 6  11 27  o 136.0862 12.26939 1.316415       0.2280760     1.051695       0.3212137     1.585580       0.3238995     118.5168 20.36173 148.0056 16.10886 -29.48878      25.96334 
1 1 1 6  11 28  o 81.70014 13.58274 0.4848565      0.1478514     0.4540777      0.2097305     0.5152641      0.2084621     77.48699 19.59066 82.78907 18.67953 -5.302078      27.06878 
1 1 1 6  11 29  o 109.4283 12.82950 0.8575910      0.1901763     0.6091697      0.2677146     1.110651       0.2702026     89.14079 21.90607 123.5039 16.23782 -34.36314      27.26798 
1 1 1 6  11 30  o 118.9196 12.69363 1.010521       0.2052175     0.9079942      0.2894529     1.114144       0.2909960     110.0765 19.77006 123.1180 17.61944 -13.04146      26.48207 
1 1 1 6  11 31  o 101.2786 13.31753 0.7387735      0.1817271     0.5156523      0.2551841     0.9683638      0.2588570     81.96530 22.06018 114.9190 16.80992 -32.95365      27.73490 
1 1 1 6  11 32  o 117.1443 12.90037 0.9827361      0.2052117     0.8682370      0.2879904     1.100840       0.2924883     107.3216 20.17419 122.1810 17.86451 -14.85943      26.94696 
1 1 1 6  11 33  o 227.5148 12.00359 3.665035       0.3757673     3.926850       0.5317419     3.403862       0.5310890     232.8992 16.64431 215.9323 17.97528 16.96692       24.49783 
1 1 1 6  11 34  o 91.78955 14.03055 0.6125849      0.1721829     0.7887732      0.2421492     0.4323995      0.2448806     103.0733 17.64839 75.26066 22.10699 27.81268       28.28753 
1 1 1 6  11 35  o 62.40262 15.05529 0.2896203      0.1282335     0.6557803E-01  0.1792682     0.5243781      0.1835052     44.72658 18.28727 83.99726 16.40991 -39.27068      24.57050 
1 1 1 6  11 36  o 81.18581 14.20653 0.4830446      0.1534586     0.4664007      0.2155944     0.5001371      0.2184808     78.12205 19.92361 80.94442 19.72739 -2.822372      28.03784 
1 1 1 6  11 37  o 172.0756 12.27112 2.108545       0.2896582     1.943603       0.4087755     2.274888       0.4105072     162.0242 18.60890 176.3278 17.07402 -14.30359      25.25497 
1 1 1 6  11 38  o 120.1543 13.00279 1.038295       0.2122905     1.052698       0.3013352     1.024103       0.2991254     118.4063 19.07878 116.6788 19.23671 1.727493       27.09337 
1 1 1 6  11 39  f 102.6045 13.62438 0.7641402      0.1882551     0.6143972      0.2655890     0.9153445      0.2668816     88.75880 21.82302 110.5645 18.10799 -21.80573      28.35743 
1 1 1 6  11 40  o 59.53962 15.65438 0.2659225      0.1304062     0.3863354      0.1844214     0.1455078      0.1844229     71.08789 18.58047 50.39477 19.16643 20.69312       26.69430 
1 1 1 6  11 41  o 159.2226 12.51666 1.818056       0.2729708     1.753390       0.3856141     1.883009       0.3864653     152.9830 18.63994 159.0621 17.90711 -6.079178      25.84786 
1 1 1 6  11 42  o 92.13876 14.71418 0.6269864      0.1809063     0.8451994      0.2545955     0.4044536      0.2571033     105.7107 18.09239 72.14015 22.94224 33.57050       29.21782 
1 1 1 6  11 43  o 90.24345 14.39783 0.6016690      0.1733820     0.6246322      0.2447199     0.5785250      0.2456813     89.41463 20.28642 85.71658 20.93712 3.698051       29.15307 
1 1 1 6  11 44  o 103.5068 13.50194 0.7835563      0.1883796     0.7877049      0.2662539     0.7793983      0.2665643     100.7318 19.84809 100.1157 19.98248 0.6161270      28.16463 
1 1 1 6  11 45  f 103.0347 13.77643 0.7801690      0.1910931     0.6049793      0.2705254     0.9546379      0.2699685     86.55339 22.44619 111.8904 18.09100 -25.33697      28.82908 
1 1 1 6  11 46  o 47.75611 15.90292 0.1631471      0.1227713     0.2378649      0.1699228     0.8154382E-01  0.1775798     56.55677 18.70323 44.81612 18.24831 11.74065       26.13066 
1 1 1 6  11 47  o 37.81290 14.59664 0.7506697E-01  0.1080179     0.1363378      0.1473826     0.3959280E-02  0.1587734     46.47723 17.24813 38.09270 16.46763 8.384533       23.84703 
1 1 1 6  11 48  o 87.04330 14.94827 0.5711342      0.1731927     0.4899316      0.2403905     0.6587756      0.2497397     77.47874 21.63856 90.63252 20.44262 -13.15378      29.76790 
1 1 1 6  11 49  o 113.1978 13.69784 0.9489582      0.2097487     0.9718075      0.2932159     0.9250129      0.3001650     110.6626 19.92145 107.1166 21.04457 3.546021       28.97824 
1 1 1 6  11 50  o 93.04222 14.70967 0.6534560      0.1826997     0.8293281      0.2546825     0.4669976      0.2622357     102.5987 18.66468 74.63140 23.09039 27.96725       29.69068 
1 1 1 6  11 51  o 140.1449 13.25082 1.450840       0.2533812     1.679219       0.3552480     1.214347       0.3615042     147.1335 17.85119 121.1554 22.43514 25.97812       28.67055 
1 1 1 6  11 52  o 83.40881 15.80611 0.5378635      0.1753800     0.8107412      0.2465683     0.2584414      0.2495075     101.1689 18.32501 59.29841 22.35530 41.87053       28.90615 
1 1 1 6  11 53  o 58.49380 16.52088 0.2694518      0.1393115     0.3710708      0.1935363     0.1601808      0.2006908     67.33671 19.61729 50.65884 19.80056 16.67786       27.87293 
1 1 1 6  11 54  o 81.60154 15.77183 0.5178213      0.1712823     0.4432768      0.2367356     0.5997112      0.2481252     72.27358 21.85967 84.38688 21.29399 -12.11330      30.51687 
1 1 1 6  11 55  o 50.25238 17.69655 0.1863600      0.1525474     0.3650906      0.1787898     -0.2919774     0.2924897     66.89209 18.65397 39.33624 18.84344 27.55585       26.51501 
1 1 1 6  11 56  o 64.23853 22.50570 0.3428979      0.2465396     0.2467628      0.3473009     0.4405521      0.3500343     61.04903 25.25945 70.75249 26.51694 -9.703461      36.62223 
1 1 1 6  11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 58  o 118.5917 29.26391 1.369256       0.4762739     1.369256       0.4762739     0.000000       0.000000      118.5917 29.26391 ?        ?        0.000000       29.26391 
1 1 1 6  11 59  o 184.6517 18.42103 2.723155       0.4634145     3.134138       0.6549186     2.311045       0.6558163     186.3145 26.17905 150.2244 32.55574 36.09012       41.77582 
1 1 1 6  11 60  o 51.71881 17.74595 0.2057618      0.1529017     0.2112298      0.2358442     0.2017971      0.2008242     54.83494 21.45592 52.90596 20.02943 1.928978       29.35191 
1 1 1 6  11 61  o 81.46858 16.27467 0.5257626      0.1766736     0.6571461      0.2488799     0.3923016      0.2508400     87.94879 20.81711 67.26281 22.73228 20.68598       30.82383 
1 1 1 6  11 62  o 105.4996 14.84876 0.8561421      0.2103256     0.9056069      0.2965918     0.8061041      0.2983061     103.0901 21.53018 95.86813 22.85687 7.222000       31.40040 
1 1 1 6  11 63  o 68.05582 17.43321 0.3762851      0.1645541     0.4321293      0.2317981     0.3195488      0.2336423     70.66423 21.68361 62.02792 21.89470 8.636307       30.81488 
1 1 1 6  11 64  o 72.08639 17.15635 0.4193325      0.1683038     0.5165310      0.2368450     0.3201852      0.2392075     77.35905 21.43352 62.15639 22.13093 15.20267       30.80867 
1 1 1 6  11 65  o 67.02024 17.37905 0.3644695      0.1621810     0.3213921      0.2279236     0.4086490      0.2308209     62.17280 21.64734 68.85632 21.72103 -6.683525      30.66611 
1 1 1 6  11 66  o 63.91932 17.72812 0.3334027      0.1619447     0.3913760      0.2269142     0.2732218      0.2311945     67.49682 21.56255 58.69972 21.63798 8.797100       30.54744 
1 1 1 6  11 67  o 79.78876 17.06741 0.5121050      0.1823506     0.5876381      0.2587635     0.4375918      0.2570107     81.70903 22.30829 70.31704 22.98994 11.39199       32.03432 
1 1 1 6  11 68  o 47.87218 17.07610 0.1691993      0.1424759     0.1741707      0.2029476     0.1643681      0.2000661     50.82378 19.89868 50.04147 19.70623 0.7823105      28.00523 
1 1 1 6  11 69  o 105.7593 15.20699 0.8716228      0.2156880     0.8292336      0.3029257     0.9152098      0.3071764     96.18526 23.09877 101.9474 22.42996 -5.762131      32.19715 
1 1 1 6  11 70  o 71.68269 15.11892 0.4081264      0.1449393     0.2577508      0.2373653     0.4975283      0.1830214     56.86399 21.71613 77.74387 17.47420 -20.87988      27.87361 
1 1 1 6  11 71  o 104.4831 11.56815 0.8175282      0.1640962     0.9054261      0.2322810     0.7299534      0.2318539     106.1412 16.37545 93.18438 18.66971 12.95680       24.83371 
1 1 1 6  11 72  o 44.17257 14.59776 0.1514970      0.1035187     0.1706866      0.1457239     0.1319485      0.1470806     47.20378 17.21218 44.00375 17.01970 3.200031       24.20598 
1 1 1 6  11 73  o 65.22504 13.76838 0.3399639      0.1201101     0.2539873      0.1678491     0.4301907      0.1719478     54.31247 18.59417 70.66422 17.66887 -16.35175      25.65018 
1 1 1 6  11 74  o 79.39684 12.78640 0.4952607      0.1354211     0.4115987      0.1893563     0.5828487      0.1937481     66.97167 19.37367 82.03398 17.62930 -15.06231      26.19411 
1 1 1 6  11 75  o 62.21891 14.21030 0.3201247      0.1194071     0.2893057      0.1672421     0.3521712      0.1705405     56.16908 18.55415 61.83601 18.52005 -5.666931      26.21543 
1 1 1 6  11 76  o 44.56590 14.30528 0.1663004      0.9978332E-01 0.2879520      0.1403223     0.4186083E-01  0.1419211     56.46416 16.77402 35.71678 15.50468 20.74738       22.84213 
1 1 1 6  11 77  o 66.04057 13.76895 0.3669566      0.1214916     0.5268728      0.1714555     0.2056919      0.1721769     76.34943 16.72579 47.44398 18.39658 28.90545       24.86335 
1 1 1 6  11 78  o 46.65868 14.59455 0.1946726      0.1044411     0.1935080      0.1460972     0.1958899      0.1493609     45.48090 17.11444 45.65678 17.27622 -0.1758766     24.31814 
1 1 1 6  11 79  o 47.70644 15.69868 0.2199690      0.1197684     0.1951319      0.1510273     0.2620583      0.1966032     44.35289 17.22083 48.21817 19.35454 -3.865280      25.90666 
1 1 1 6  11 80  o 32.39067 13.55373 0.6972165E-01  0.1016143     0.3672526E-01  0.1270106     0.1284006      0.1693744     31.78586 14.19303 38.70272 16.86847 -6.916859      22.04512 
1 1 1 6  11 81  o 36.81403 14.64063 0.1312344      0.1114424     0.1673925      0.1410692     0.7120819E-01  0.1817606     39.40160 16.17908 34.81261 16.09094 4.588989       22.81844 
1 1 1 6  11 82  o 41.84067 16.61470 0.2320680      0.1433225     0.4000603      0.1999434     0.5452183E-01  0.2055503     48.29325 19.47110 32.93465 15.78207 15.35860       25.06387 
1 1 1 6  11 83  o 32.67558 14.26559 0.1225013      0.1215935     0.1648259      0.1685069     0.7652146E-01  0.1756326     34.31591 15.72673 30.98505 14.77683 3.330853       21.57973 
1 1 1 6  11 84  o 26.26772 12.46849 0.2945559E-01  0.1221211     0.1468496      0.1501843     -0.1996489     0.2098063     31.49374 14.58140 24.59753 12.45108 6.896204       19.17412 
1 1 1 6  11 85  o 26.95218 13.16775 0.9095894E-01  0.1617479     0.9095894E-01  0.1617479     0.000000       0.000000      26.95218 13.16775 ?        ?        0.000000       13.16775 
1 1 1 6  11 86  o 24.29622 12.11455 0.9059648E-01  0.1636822     0.9059648E-01  0.1636822     0.000000       0.000000      24.29622 12.11455 ?        ?        0.000000       12.11455 
1 1 1 6  11 87  o 21.57940 11.08485 0.1133832      0.2284936     0.1133832      0.2284936     0.000000       0.000000      21.57940 11.08485 ?        ?        0.000000       11.08485 
1 1 1 6  11 88  o 19.25363 9.980062 0.2574054      0.2765485     0.2574054      0.2765485     0.000000       0.000000      19.25363 9.980062 ?        ?        0.000000       9.980062 
1 1 1 6  11 89  o 16.55251 8.595906 0.1404933      0.2387393     0.1404933      0.2387393     0.000000       0.000000      16.55251 8.595906 ?        ?        0.000000       8.595906 
1 1 1 6  11 90  o 14.44183 7.512417 0.9324239E-01  0.2258366     0.9324239E-01  0.2258366     0.000000       0.000000      14.44183 7.512417 ?        ?        0.000000       7.512417 
1 1 1 6  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 3   o 199.9583 17.33708 2.918432       0.4739514     3.361800       0.6754233     2.488345       0.6652301     209.9892 23.70900 177.0568 28.15197 32.93234       36.80557 
1 1 1 6  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 5   o 51.14543 20.34204 0.1192481      0.2151586     0.1192481      0.2151586     0.000000       0.000000      51.14543 20.34204 ?        ?        0.000000       20.34204 
1 1 1 6  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 10  o 86.72894 26.51868 0.5961059      0.3470497     0.000000       0.000000      0.5961059      0.3470497     ?        ?        86.72894 26.51868 0.000000       26.51868 
1 1 1 6  12 11  o 85.75952 19.94295 0.5627773      0.2316959     0.7827520      0.3316702     0.3531103      0.3238062     99.58030 24.32875 71.00661 25.69307 28.57369       35.38393 
1 1 1 6  12 12  o 83.24352 26.09727 0.5445156      0.3337366     0.000000       0.000000      0.5445156      0.3337366     ?        ?        83.24352 26.09727 0.000000       26.09727 
1 1 1 6  12 13  o 119.0983 27.70350 1.149661       0.4470026     0.000000       0.000000      1.149661       0.4470026     ?        ?        119.0983 27.70350 0.000000       27.70350 
1 1 1 6  12 14  o 113.6969 27.82458 1.052951       0.4332792     0.000000       0.000000      1.052951       0.4332792     ?        ?        113.6969 27.82458 0.000000       27.82458 
1 1 1 6  12 15  o 86.79340 26.66237 0.6016082      0.3503541     0.000000       0.000000      0.6016082      0.3503541     ?        ?        86.79340 26.66237 0.000000       26.66237 
1 1 1 6  12 16  o 64.67996 23.66956 0.2822125      0.2759299     0.000000       0.000000      0.2822125      0.2759299     ?        ?        64.67996 23.66956 0.000000       23.66956 
1 1 1 6  12 17  o 107.5227 27.86759 0.9500836      0.4171491     0.000000       0.000000      0.9500836      0.4171491     ?        ?        107.5227 27.86759 0.000000       27.86759 
1 1 1 6  12 18  o 77.71128 26.21149 0.4663525      0.3334922     0.000000       0.000000      0.4663525      0.3334922     ?        ?        77.71128 26.21149 0.000000       26.21149 
1 1 1 6  12 19  o 102.0494 19.99834 0.7980432      0.2717240     1.350173       0.3862113     0.2568449      0.3823689     132.3256 21.90318 67.64900 27.04893 64.67662       34.80508 
1 1 1 6  12 20  o 98.01486 15.90933 0.7128184      0.2079361     0.7786687      0.2509888     0.5687148      0.3712897     101.3284 18.62478 84.07980 27.63935 17.24863       33.32891 
1 1 1 6  12 21  o 101.3215 19.50445 0.7862323      0.2629781     1.491548       0.3639898     0.1602837E-01  0.3803647     140.5485 19.26210 57.42471 25.14648 83.12382       31.67608 
1 1 1 6  12 22  o 119.9801 28.46560 1.204135       0.4644857     0.000000       0.000000      1.204135       0.4644857     ?        ?        119.9801 28.46560 0.000000       28.46560 
1 1 1 6  12 23  o 193.5346 26.75485 3.027046       0.6958669     0.000000       0.000000      3.027046       0.6958669     ?        ?        193.5346 26.75485 0.000000       26.75485 
1 1 1 6  12 24  o 53.20487 21.49990 0.1303183      0.2443769     0.000000       0.000000      0.1303183      0.2443769     ?        ?        53.20487 21.49990 0.000000       21.49990 
1 1 1 6  12 25  o 57.54634 22.63740 0.1870639      0.2637454     0.000000       0.000000      0.1870639      0.2637454     ?        ?        57.54634 22.63740 0.000000       22.63740 
1 1 1 6  12 26  o 76.67523 26.31819 0.4678569      0.3363134     0.000000       0.000000      0.4678569      0.3363134     ?        ?        76.67523 26.31819 0.000000       26.31819 
1 1 1 6  12 27  f 79.30440 21.41748 0.5010266      0.2400432     0.5501370      0.3378967     0.4509895      0.3410704     81.68143 26.33552 75.49101 26.46975 6.190422       37.33909 
1 1 1 6  12 28  f 68.54334 20.80926 0.3686387      0.2142371     0.5869855      0.2937207     0.1204219      0.3131675     84.56487 24.02525 56.63292 23.75211 27.93194       33.78424 
1 1 1 6  12 29  o 81.68364 14.52756 0.4988361      0.1578525     0.4120261      0.2178254     0.5948430      0.2290735     72.03675 20.76179 87.02042 19.54214 -14.98367      28.51223 
1 1 1 6  12 30  o 94.75170 14.12679 0.6659859      0.1791791     0.5819575      0.2502196     0.7544233      0.2566998     85.01839 21.34547 98.06481 19.64197 -13.04642      29.00752 
1 1 1 6  12 31  o 134.0016 12.99460 1.310620       0.2374203     0.9568946      0.3306381     1.687158       0.3411337     108.3998 22.81165 149.6127 16.80327 -41.21289      28.33234 
1 1 1 6  12 32  o 59.62517 15.97607 0.2734763      0.1341918     0.3906013      0.1847661     0.1427272      0.1952166     70.32332 18.70288 49.97868 19.53032 20.34464       27.04129 
1 1 1 6  12 33  o 65.49840 15.80431 0.3306975      0.1412959     0.4859771      0.1942370     0.1561775      0.2059195     78.56210 18.25340 51.43069 20.06942 27.13140       27.12873 
1 1 1 6  12 34  o 46.36305 15.78590 0.1532853      0.1209710     0.1642364      0.1640013     0.1402163      0.1791596     49.53760 18.22980 48.57913 18.78569 0.9584694      26.17686 
1 1 1 6  12 35  f 61.74170 18.41227 0.3005618      0.1688301     -0.7351473E-02 0.2904404     0.4577028      0.2074853     48.70589 21.62306 75.26342 19.72563 -26.55753      29.26870 
1 1 1 6  12 36  o 120.6627 16.23903 1.110749       0.2636945     0.6994306      0.4498726     1.326035       0.3254685     86.16371 30.38494 130.1249 18.64688 -43.96118      35.65039 
1 1 1 6  12 37  o 78.91511 18.30830 0.4970845      0.1956418     0.3712355      0.3385137     0.5602034      0.2397346     68.29613 25.96886 82.29205 21.02159 -13.99592      33.41091 
1 1 1 6  12 38  o 90.22358 14.74490 0.6189895      0.1773494     0.6436916      0.2472625     0.5928172      0.2545147     88.41098 20.63090 84.02632 21.76258 4.384659       29.98740 
1 1 1 6  12 39  o 77.31805 15.06542 0.4602317      0.1550606     0.1936219      0.2141805     0.7538857      0.2247811     53.61919 20.59231 98.10381 17.22165 -44.48462      26.84452 
1 1 1 6  12 40  o 45.24258 16.51956 0.1387407      0.1342976     0.2390407      0.1567832     -0.1376472     0.2602607     55.36649 17.94826 41.16036 19.10569 14.20613       26.21388 
1 1 1 6  12 41  o 46.69270 15.96537 0.1594727      0.1237424     0.3306997      0.1435784     -0.3349784     0.2439858     64.74940 16.12112 34.12035 16.55704 30.62906       23.10900 
1 1 1 6  12 42  o 88.08147 17.58479 0.6176584      0.2063847     0.6735959      0.2469847     0.4882147      0.3757153     90.14953 20.32650 73.68399 27.50054 16.46554       34.19717 
1 1 1 6  12 43  o 71.92326 26.68233 0.4596283      0.3526445     0.000000       0.000000      0.4596283      0.3526445     ?        ?        71.92326 26.68233 0.000000       26.68233 
1 1 1 6  12 44  o 43.07786 19.44773 -0.4311829E-01 0.2458397     0.000000       0.000000      -0.4311829E-01 0.2458397     ?        ?        43.07786 19.44773 0.000000       19.44773 
1 1 1 6  12 45  o 64.88136 25.69696 0.3344146      0.3420157     0.000000       0.000000      0.3344146      0.3420157     ?        ?        64.88136 25.69696 0.000000       25.69696 
1 1 1 6  12 46  o 78.60930 27.19191 0.5866715      0.3593509     0.000000       0.000000      0.5866715      0.3593509     ?        ?        78.60930 27.19191 0.000000       27.19191 
1 1 1 6  12 47  o 105.1186 29.66265 1.105347       0.4493083     0.000000       0.000000      1.105347       0.4493083     ?        ?        105.1186 29.66265 0.000000       29.66265 
1 1 1 6  12 48  f 108.8287 16.67461 0.9316615      0.2425895     0.7580354      0.2963022     1.284666       0.4224913     92.67752 23.20577 117.8095 26.60111 -25.13198      35.30052 
1 1 1 6  12 49  o 58.04370 18.01706 0.2722363      0.1595129     0.1241095      0.1984596     0.5425729      0.2681068     47.61065 19.32743 78.07023 23.18461 -30.45958      30.18403 
1 1 1 6  12 50  o 76.64642 15.79298 0.4631932      0.1615846     0.6593876      0.2242370     0.2512777      0.2330480     89.78206 18.69507 57.30171 21.60468 32.48035       28.57040 
1 1 1 6  12 51  o 98.02410 14.92427 0.7409810      0.1956289     0.6803912      0.2754410     0.8026562      0.2778974     88.12843 22.54374 97.11706 21.30835 -8.988632      31.02041 
1 1 1 6  12 52  o 133.1349 13.64690 1.336103       0.2473338     1.530514       0.3496010     1.141286       0.3499649     137.5972 18.89943 114.7853 22.88301 22.81193       29.67863 
1 1 1 6  12 53  o 84.19382 16.07823 0.5583386      0.1801032     0.4829068      0.2530707     0.6357504      0.2563701     74.10121 22.64319 85.90436 21.62733 -11.80315      31.31222 
1 1 1 6  12 54  o 78.69933 16.60075 0.4931675      0.1747247     0.5786309      0.2451979     0.4050026      0.2490430     82.02112 21.41780 68.32346 22.64500 13.69765       31.16919 
1 1 1 6  12 55  o 50.40126 17.03009 0.1945760      0.1407809     0.1121130      0.1950909     0.2841729      0.2033546     46.66525 19.07828 59.17469 20.45616 -12.50943      27.97204 
1 1 1 6  12 56  o 105.4832 14.88537 0.8563384      0.2107847     1.041362       0.2976332     0.6701631      0.2985582     112.2445 19.93360 85.96687 24.15224 26.27763       31.31580 
1 1 1 6  12 57  o 47.54204 16.96704 0.1653084      0.1406790     0.1641697      0.1969092     0.1664955      0.2010558     50.00966 19.59475 50.36584 19.78008 -0.3561821     27.84252 
1 1 1 6  12 58  o 72.08440 16.94210 0.4203792      0.1657849     0.3433350      0.2329320     0.4994721      0.2360088     63.45594 21.89576 75.60777 21.55529 -12.15182      30.72548 
1 1 1 6  12 59  o 47.28391 16.68599 0.1665512      0.1356907     0.2320998      0.1924671     0.1017752      0.1913294     54.47466 19.79357 45.43338 18.76925 9.041286       27.27765 
1 1 1 6  12 60  o 37.84907 15.24920 0.7042179E-01  0.1225412     0.2924853      0.1776673     -0.1310718     0.1692387     59.15449 19.09902 31.93402 15.01178 27.22047       24.29251 
1 1 1 6  12 61  o 59.75512 16.98924 0.2948311      0.1468185     0.3152372      0.2116016     0.2758872      0.2038792     60.47288 20.86900 57.43311 20.43332 3.039764       29.20677 
1 1 1 6  12 62  o 81.67755 16.53558 0.5452610      0.1800942     0.7757300      0.2584365     0.3276826      0.2511050     94.14697 20.46378 60.79905 22.52347 33.34792       30.43145 
1 1 1 6  12 63  o 32.01336 13.99854 0.3131403E-02  0.1174954     0.3643964E-01  0.1699975     -0.2733276E-01 0.1625778     39.15042 16.98218 35.16886 15.85187 3.981560       23.23093 
1 1 1 6  12 64  o 75.73505 16.95973 0.4857375      0.1729478     0.7153348      0.2461982     0.2620602      0.2430035     88.72904 20.50597 55.16014 21.71936 33.56890       29.87014 
1 1 1 6  12 65  o 47.10297 16.66187 0.1813477      0.1353764     0.7885446E-01  0.1913719     0.2840108      0.1915305     42.22466 18.16682 55.91679 19.81434 -13.69213      26.88199 
1 1 1 6  12 66  o 95.33395 15.97494 0.7650180      0.2028530     0.9553324      0.2870634     0.5751958      0.2866920     99.79488 21.46894 72.19128 24.30304 27.60360       32.42766 
1 1 1 6  12 67  o 50.96126 16.93211 0.2319527      0.1392049     0.2349155      0.1904370     0.2285531      0.2039921     50.67947 19.42825 50.30365 19.87024 0.3758163      27.78999 
1 1 1 6  12 68  f 64.52036 17.01865 0.3818412      0.1538046     0.4269393      0.2155159     0.3350322      0.2195659     63.39556 21.06823 56.33489 21.02346 7.060665       29.76334 
1 1 1 6  12 69  o 28.91622 12.58563 0.1673039E-01  0.9400350E-01 0.9261499E-01  0.1325483     -0.6006020E-01 0.1333372     37.60516 15.58579 28.95608 13.51873 8.649084       20.63184 
1 1 1 6  12 70  o 24.62846 11.23816 -0.2489389E-01 0.8482232E-01 0.1764812      0.1197926     -0.2273771     0.1201218     43.79868 15.65418 21.42438 10.63183 22.37430       18.92324 
1 1 1 6  12 71  o 29.79404 12.81750 0.3732998E-01  0.9524636E-01 0.1002604      0.1340114     -0.2690818E-01 0.1353967     36.73392 15.47873 29.68029 13.77815 7.053633       20.72266 
1 1 1 6  12 72  o 25.69372 11.62510 -0.3954644E-02 0.8840374E-01 -0.9694509E-01 0.1247655     0.8980371E-01  0.1252796     25.25503 12.15230 34.71125 14.80980 -9.456215      19.15746 
1 1 1 6  12 73  o 34.89738 14.32866 0.1111728      0.1106373     0.6407083E-01  0.1542543     0.1610749      0.1587731     33.29932 15.17935 38.50967 16.55742 -5.210346      22.46244 
1 1 1 6  12 74  o 36.08162 14.70354 0.1434460      0.1154064     0.2519599      0.1643140     0.3780184E-01  0.1621266     41.76774 17.33555 31.05690 14.62839 10.71084       22.68284 
1 1 1 6  12 75  o 33.09390 14.05571 0.1259741      0.1119176     0.1644522E-01  0.1603875     0.2299175      0.1562445     28.71142 13.80611 38.14931 16.41424 -9.437891      21.44845 
1 1 1 6  12 76  f 26.12323 12.59655 0.6368863E-02  0.1357361     0.6368863E-02  0.1357361     0.000000       0.000000      26.12323 12.59655 ?        ?        0.000000       12.59655 
1 1 1 6  12 77  o 26.27881 12.80006 0.5170368E-01  0.1495907     0.5170368E-01  0.1495907     0.000000       0.000000      26.27881 12.80006 ?        ?        0.000000       12.80006 
1 1 1 6  12 78  o 19.02363 9.622569 -0.1511806     0.1239116     -0.1511806     0.1239116     0.000000       0.000000      19.02363 9.622569 ?        ?        0.000000       9.622569 
1 1 1 6  12 79  o 23.28639 11.93980 0.1968959      0.2502559     0.1968959      0.2502559     0.000000       0.000000      23.28639 11.93980 ?        ?        0.000000       11.93980 
1 1 1 6  12 80  o 16.99402 8.700902 -0.1274037     0.1279876     -0.1274037     0.1279876     0.000000       0.000000      16.99402 8.700902 ?        ?        0.000000       8.700902 
1 1 1 6  12 81  o 18.03806 9.354670 0.2113254      0.2521555     0.2113254      0.2521555     0.000000       0.000000      18.03806 9.354670 ?        ?        0.000000       9.354670 
1 1 1 6  12 82  o 15.82774 8.226900 0.1626111      0.2413453     0.1626111      0.2413453     0.000000       0.000000      15.82774 8.226900 ?        ?        0.000000       8.226900 
1 1 1 6  12 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 3   o 47.49817 20.07644 0.7428575E-01  0.2265708     0.000000       0.000000      0.7428575E-01  0.2265708     ?        ?        47.49817 20.07644 0.000000       20.07644 
1 1 1 6  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 6   o 82.88271 27.77318 0.6280399      0.3743912     0.6280399      0.3743912     0.000000       0.000000      82.88271 27.77318 ?        ?        0.000000       27.77318 
1 1 1 6  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 11  o 92.79996 20.66509 0.7085913      0.2580052     0.7444460      0.3654260     0.6729522      0.3643254     90.03171 27.14276 85.52866 27.32200 4.503052       38.51261 
1 1 1 6  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 19  o 91.49461 29.08166 0.8143712      0.4131614     0.000000       0.000000      0.8143712      0.4131614     ?        ?        91.49461 29.08166 0.000000       29.08166 
1 1 1 6  13 20  o 37.08059 16.72325 -0.4978678E-01 0.1812486     0.000000       0.000000      -0.4978678E-01 0.1812486     ?        ?        37.08059 16.72325 0.000000       16.72325 
1 1 1 6  13 21  o 42.91969 18.97648 -0.2370520E-02 0.2214787     0.000000       0.000000      -0.2370520E-02 0.2214787     ?        ?        42.91969 18.97648 0.000000       18.97648 
1 1 1 6  13 22  f ?        ?        -0.5805804     0.7488817E-01 0.000000       0.000000      -0.5805804     0.7488817E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  13 23  o 101.4413 20.65534 0.8547383      0.2794924     1.522880       0.3823549     0.8809419E-01  0.4095711     135.6966 21.09095 57.48191 25.58999 78.21465       33.16136 
1 1 1 6  13 24  o 37.33388 17.23910 -0.1057239     0.2078563     0.000000       0.000000      -0.1057239     0.2078563     ?        ?        37.33388 17.23910 0.000000       17.23910 
1 1 1 6  13 25  o 78.59743 27.57201 0.5848774      0.3700884     0.000000       0.000000      0.5848774      0.3700884     ?        ?        78.59743 27.57201 0.000000       27.57201 
1 1 1 6  13 26  o 51.17329 21.77439 0.1086232      0.2694876     0.000000       0.000000      0.1086232      0.2694876     ?        ?        51.17329 21.77439 0.000000       21.77439 
1 1 1 6  13 27  f 41.52580 18.61652 -0.2895442E-01 0.2208635     0.000000       0.000000      -0.2895442E-01 0.2208635     ?        ?        41.52580 18.61652 0.000000       18.61652 
1 1 1 6  13 28  o 47.40971 20.65888 0.4920341E-01  0.2539205     0.000000       0.000000      0.4920341E-01  0.2539205     ?        ?        47.40971 20.65888 0.000000       20.65888 
1 1 1 6  13 29  o 35.75810 15.54014 0.6077653E-02  0.1428917     0.1077929      0.1908943     -0.1235412     0.2154934     46.19742 18.87776 37.31176 17.34132 8.885654       25.63379 
1 1 1 6  13 30  o 24.84893 12.14172 -0.2327641     0.1376539     -0.2327641     0.1376539     0.000000       0.000000      24.84893 12.14172 ?        ?        0.000000       12.14172 
1 1 1 6  13 31  o 30.85511 14.66775 -0.1716733     0.1702270     -0.1716733     0.1702270     0.000000       0.000000      30.85511 14.66775 ?        ?        0.000000       14.66775 
1 1 1 6  13 32  o 85.43422 21.69595 0.6295567      0.2564247     -0.9287647E-01 0.3658421     1.327234       0.3595192     49.34333 22.81475 125.5214 21.51711 -76.17802      31.36079 
1 1 1 6  13 33  f 107.1548 16.29185 0.8991079      0.2334639     0.8340453      0.2847187     1.032630       0.4078751     98.98343 21.45064 103.4355 27.91135 -4.452095      35.20189 
1 1 1 6  13 34  o 59.23588 20.60594 0.2844633      0.2064989     0.3727641      0.2974828     0.2023486      0.2868732     66.03455 24.50498 56.33248 23.09464 9.702076       33.67278 
1 1 1 6  13 35  o 65.13283 19.18811 0.3521300      0.1842456     -0.2165394     0.3155578     0.6462669      0.2269467     42.69309 20.20029 88.58826 19.11386 -45.89517      27.80991 
1 1 1 6  13 36  o 43.48307 17.08684 0.1098498      0.1501130     -0.2395876     0.2645530     0.2757817      0.1823026     38.09759 18.15966 58.35657 19.37612 -20.25898      26.55574 
1 1 1 6  13 37  o 133.6216 16.46199 1.393830       0.2973135     0.9239157      0.5151401     1.628543       0.3640702     91.55928 32.49003 141.8877 19.06482 -50.32841      37.67054 
1 1 1 6  13 38  f 116.7415 17.03901 1.075016       0.2665754     0.9167277      0.4580448     1.156090       0.3278107     93.69286 30.69423 117.5828 20.95871 -23.88998      37.16723 
1 1 1 6  13 39  o 56.20610 19.17070 0.2506931      0.1784128     -0.3265761     0.3084612     0.5409006      0.2187085     39.52820 19.04234 80.40810 19.82398 -40.87990      27.48819 
1 1 1 6  13 40  o 61.47311 18.90616 0.3100530      0.1761051     0.1120925      0.3106638     0.4037849      0.2137693     53.31867 23.04245 68.94200 20.75444 -15.62333      31.01130 
1 1 1 6  13 41  o 31.47877 13.99988 -0.2415335E-01 0.1222744     -0.3457575     0.2230336     0.1140444      0.1462042     31.63194 15.45584 43.54632 16.93360 -11.91438      22.92662 
1 1 1 6  13 42  o 44.47305 16.85048 0.1288301      0.1422083     -0.1689250     0.2626460     0.2523247      0.1691474     39.92014 18.74515 56.18100 18.66442 -16.26085      26.45262 
1 1 1 6  13 43  f 47.83258 15.80838 0.1741894      0.1213999     0.1829200      0.1718154     0.1654853      0.1715557     50.31361 18.63268 48.93996 18.51615 1.373653       26.26832 
1 1 1 6  13 44  o 54.53550 17.75608 0.2369545      0.1533690     0.4493122      0.1858535     -0.2163417     0.2715363     73.83202 18.31781 39.18811 18.59876 34.64391       26.10471 
1 1 1 6  13 45  o 46.16643 17.01312 0.1499690      0.1429119     0.2054616      0.1752495     0.3981073E-01  0.2469152     52.07073 18.89247 46.12776 20.22847 5.942970       27.67881 
1 1 1 6  13 46  o 36.38423 15.17363 0.4468490E-01  0.1267491     -0.4193020E-01 0.1539107     0.2272204      0.2234322     34.14343 15.40346 54.96664 21.05067 -20.82322      26.08443 
1 1 1 6  13 47  o 48.04717 17.44739 0.1705298      0.1495109     0.2680840      0.1827334     -0.2703149E-01 0.2600433     57.09462 19.40179 44.03327 19.92907 13.06134       27.81362 
1 1 1 6  13 48  o 29.25387 13.15763 -0.3321885E-01 0.1113133     0.1408562E-01  0.1330482     -0.1435775     0.2032175     34.80999 15.06154 34.95186 16.43668 -0.1418686     22.29382 
1 1 1 6  13 49  o 48.36797 17.17942 0.1797541      0.1440585     0.2486928      0.1769407     0.4421175E-01  0.2481040     54.96217 19.07680 45.65347 20.14000 9.308701       27.74065 
1 1 1 6  13 50  o 17.38222 8.572349 -0.1509501     0.7381590E-01 -0.8817930E-01 0.8993439E-01 -0.2805341     0.1292178     22.90731 10.82184 22.18332 11.01161 0.7239876      15.43916 
1 1 1 6  13 51  o 40.84037 16.09162 0.1033223      0.1334712     0.1675615      0.1631346     -0.2674668E-01 0.2321309     47.45731 18.03179 41.08184 18.68588 6.375473       25.96743 
1 1 1 6  13 52  o 43.07016 16.63458 0.1289801      0.1403418     0.2641691      0.1714498     -0.1455438     0.2443184     55.20034 18.79305 37.64050 17.79882 17.55984       25.88391 
1 1 1 6  13 53  o 25.18318 11.72291 -0.6771522E-01 0.9910539E-01 0.1048290E-01  0.1197781     -0.2374535     0.1764693     32.44837 14.16275 28.64747 13.94258 3.800894       19.87408 
1 1 1 6  13 54  o 47.83926 16.16036 0.1910989      0.1267684     0.8666287E-01  0.1829325     0.2875864      0.1758334     41.95753 17.89857 56.21282 19.03230 -14.25529      26.12637 
1 1 1 6  13 55  o 44.86782 15.95816 0.1649407      0.1243454     0.1904206      0.1736578     0.1381317      0.1781294     47.87373 18.50001 44.40475 18.20081 3.468979       25.95226 
1 1 1 6  13 56  o 50.53945 16.40662 0.2260661      0.1309788     0.3889379      0.1835075     0.5692453E-01  0.1870061     63.44921 19.25830 39.73748 17.50998 23.71174       26.02847 
1 1 1 6  13 57  o 35.08629 14.26166 0.7325996E-01  0.1082265     -0.9550377E-01 0.1491956     0.2606925      0.1572313     29.53189 13.94746 52.53536 17.99639 -23.00346      22.76843 
1 1 1 6  13 58  o 30.21375 13.02363 0.2627272E-01  0.9872684E-01 0.2637988E-01  0.1354234     0.2615116E-01  0.1442344     33.63152 14.85583 34.32586 15.23848 -0.6943398     21.28161 
1 1 1 6  13 59  o 42.22440 15.57970 0.1572435      0.1199052     0.2157163      0.1650009     0.9181079E-01  0.1745445     46.96512 18.06533 39.17326 17.09736 7.791859       24.87320 
1 1 1 6  13 60  o 33.64377 13.90978 0.7306208E-01  0.1052020     0.8117947E-01  0.1453637     0.6413456E-01  0.1524450     36.43235 15.75336 35.81131 15.79313 0.6210480      22.30676 
1 1 1 6  13 61  o 38.68487 15.11940 0.1348154      0.1170092     0.1927398      0.1618309     0.7136136E-01  0.1693791     43.11212 17.46981 36.19737 16.26005 6.914753       23.86595 
1 1 1 6  13 62  o 46.34320 16.56661 0.2369519      0.1341700     0.1575664      0.1861066     0.3228638      0.1936056     39.62546 17.46384 49.08421 19.36755 -9.458744      26.07849 
1 1 1 6  13 63  o 32.94877 13.97219 0.8721952E-01  0.1103125     0.1185096      0.1536656     0.5394829E-01  0.1584555     35.94412 15.85373 32.90956 15.14411 3.034561       21.92453 
1 1 1 6  13 64  o 39.80943 15.58689 0.1913236      0.1245280     0.1660660      0.1740161     0.2178340      0.1782795     36.81665 16.51363 39.32737 17.21886 -2.510712      23.85768 
1 1 1 6  13 65  o 32.72213 14.49140 0.1155976      0.1296739     0.1664363      0.1589441     0.1440467E-01  0.2242447     35.19724 15.78512 30.81683 15.14767 4.380417       21.87743 
1 1 1 6  13 66  o 20.66460 10.19237 -0.1072785     0.1044639     0.3123166E-02  0.1571478     -0.1946911     0.1398322     27.25252 13.23898 21.48035 10.78143 5.772173       17.07366 
1 1 1 6  13 67  o 23.91661 11.68829 -0.2596521E-01 0.1277376     0.1777270      0.1889412     -0.1974463     0.1733594     30.71752 14.82451 22.51266 11.38673 8.204857       18.69288 
1 1 1 6  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 11  f 28.74834 13.30938 -0.8282595E-01 0.1250925     -0.3624770E-01 0.1734195     -0.1333496     0.1806148     36.72252 16.47738 33.40130 15.63944 3.321217       22.71774 
1 1 1 6  14 12  o ?        ?        -0.2742509     0.5795040E-01 0.000000       0.000000      -0.2742509     0.5795040E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 20  o 61.98805 24.19123 0.3049645      0.2992076     0.3049645      0.2992076     0.000000       0.000000      61.98805 24.19123 ?        ?        0.000000       24.19123 
1 1 1 6  14 21  o 70.30412 25.49509 0.4479777      0.3190901     0.000000       0.000000      0.4479777      0.3190901     ?        ?        70.30412 25.49509 0.000000       25.49509 
1 1 1 6  14 22  f 30.24507 14.32302 -0.1505722     0.1593213     0.000000       0.000000      -0.1505722     0.1593213     ?        ?        30.24507 14.32302 0.000000       14.32302 
1 1 1 6  14 23  o ?        ?        -0.3864572     0.6937267E-01 0.000000       0.000000      -0.3864572     0.6937267E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  14 24  o ?        ?        -0.6913544     0.7034012E-01 0.000000       0.000000      -0.6913544     0.7034012E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  14 25  o 46.70427 20.18900 0.6625085E-01  0.2386067     0.000000       0.000000      0.6625085E-01  0.2386067     ?        ?        46.70427 20.18900 0.000000       20.18900 
1 1 1 6  14 26  o 51.07461 18.65640 0.1964826      0.1713123     0.5759614      0.2281964     -0.2935754     0.2593216     82.02929 20.26499 35.97821 17.36440 46.05107       26.68693 
1 1 1 6  14 27  o 57.35543 23.24874 0.2389794      0.2867016     0.000000       0.000000      0.2389794      0.2867016     ?        ?        57.35543 23.24874 0.000000       23.24874 
1 1 1 6  14 28  o 49.28302 21.05493 0.1083032      0.2538245     0.000000       0.000000      0.1083032      0.2538245     ?        ?        49.28302 21.05493 0.000000       21.05493 
1 1 1 6  14 29  o 16.78031 8.504486 -0.3422824     0.9983472E-01 0.000000       0.000000      -0.3422824     0.9983472E-01 ?        ?        16.78031 8.504486 0.000000       8.504486 
1 1 1 6  14 30  o 43.02477 17.64226 0.9525801E-01  0.1674480     0.2226741      0.2267052     -0.5770212E-01 0.2483925     54.11609 21.07445 41.73202 19.11393 12.38407       28.45127 
1 1 1 6  14 31  o ?        ?        -0.3475778     0.5194779E-01 -0.1967134     0.7897723E-01 -0.4626211     0.6896665E-01 16.84609 8.402212 ?        ?        0.000000       8.402212 
1 1 1 6  14 32  o 16.53685 8.349492 -0.2856681     0.9080441E-01 -0.3165305     0.1194476     -0.2434128     0.1397666     20.02705 10.03986 24.53588 12.03969 -4.508835      15.67651 
1 1 1 6  14 33  o 14.78442 7.475242 -0.2434382     0.7432643E-01 -0.3509638E-01 0.9507583E-01 -0.5708832     0.1191931     26.63420 12.05274 ?        ?        0.000000       12.05274 
1 1 1 6  14 34  o 50.71476 19.83716 0.1966196      0.2015482     0.3620809      0.2821546     0.2423186E-01  0.2879997     62.01457 23.67806 46.37893 20.98345 15.63564       31.63789 
1 1 1 6  14 35  o 38.32383 15.78064 0.7248530E-01  0.1346740     -0.4164172     0.2407857     0.2950535      0.1624617     30.88515 15.27806 58.21551 18.20134 -27.33036      23.76358 
1 1 1 6  14 36  o 56.30070 18.71322 0.2794990      0.1700257     0.3796991      0.2049555     0.5834710E-01  0.3044886     63.84903 20.50278 47.66967 21.57084 16.17937       29.76012 
1 1 1 6  14 37  o 43.91952 15.96716 0.1495222      0.1252711     0.4395480      0.1462847     -0.6480654     0.2425882     73.13334 14.98948 27.10867 13.68246 46.02467       20.29518 
1 1 1 6  14 38  o 51.13343 20.07027 0.2219570      0.2068893     0.4941350      0.2964694     -0.3641131E-01 0.2888505     67.15116 24.54064 43.05422 20.03249 24.09694       31.67876 
1 1 1 6  14 39  o 45.93356 18.97826 0.1498779      0.1956497     0.2732135      0.2841301     0.3866424E-01  0.2698063     54.45823 22.71535 44.17715 20.11366 10.28107       30.34051 
1 1 1 6  14 40  o 39.71140 16.96889 0.7618192E-01  0.1649228     0.4279004      0.2363347     -0.2576772     0.2302563     63.99584 22.05664 32.56176 15.86482 31.43408       27.16961 
1 1 1 6  14 41  o 32.21666 14.62429 -0.2042948E-01 0.1412807     0.2120290      0.2052352     -0.2298006     0.1947770     49.04696 19.74392 29.97544 14.60179 19.07152       24.55676 
1 1 1 6  14 42  o 50.29292 19.46536 0.2390877      0.1924885     0.3441183      0.2751772     0.1384540      0.2693558     55.83636 22.72357 46.36401 20.68814 9.472355       30.73044 
1 1 1 6  14 43  o 36.22244 15.84289 0.4901265E-01  0.1505765     0.2820647E-01  0.2142002     0.6933904E-01  0.2117162     39.15336 17.86316 40.73848 18.24781 -1.585121      25.53576 
1 1 1 6  14 44  o 47.29064 18.85742 0.2146785      0.1853374     0.2046491      0.2610019     0.2248796      0.2632256     47.32570 20.77457 48.22026 21.02243 -0.8945694     29.55546 
1 1 1 6  14 45  o 31.09220 14.18486 -0.1122711E-01 0.1350528     0.6633829E-01  0.1870237     -0.9574649E-01 0.1952274     38.34264 17.16438 32.66911 15.57979 5.673531       23.18072 
1 1 1 6  14 46  o 41.91315 16.65391 0.1610007      0.1440830     -0.1340503     0.2472672     0.3126861      0.1772923     34.34364 16.66599 52.99942 19.03331 -18.65578      25.29866 
1 1 1 6  14 47  o 47.14983 17.60652 0.2386954      0.1540402     -0.1158772     0.2696087     0.4105366      0.1876917     35.17102 17.14290 58.98574 19.66404 -23.81472      26.08742 
1 1 1 6  14 48  o 43.80193 17.09716 0.2070798      0.1494744     0.2325925      0.1804258     0.1512549      0.2668910     44.78014 18.33195 41.06249 19.15585 3.717651       26.51427 
1 1 1 6  14 49  o 45.92953 17.78966 0.2567613      0.1608657     0.4641602      0.1955550     -0.1773231     0.2829129     58.84948 20.07057 32.84312 16.30142 26.00636       25.85661 
1 1 1 6  14 50  o 43.29771 17.27209 0.2370903      0.1555419     0.2971790      0.1877418     0.1055743      0.2777499     45.47835 18.66831 37.08854 17.91745 8.389812       25.87549 
1 1 1 6  14 51  o 38.23647 16.20352 0.1806040      0.1481993     0.2756377      0.1798828     -0.2019152E-01 0.2614737     42.72476 17.96446 32.71811 16.13521 10.00665       24.14677 
1 1 1 6  14 52  o 24.45090 11.78353 -0.5728123E-01 0.1183864     -0.1153960     0.1679648     0.9058089E-04  0.1668878     26.16149 12.90742 29.25038 14.06975 -3.088888      19.09344 
1 1 1 6  14 53  o 32.34476 15.08075 0.1224185      0.1650580     0.2099105      0.2340968     0.3592011E-01  0.2327635     34.63505 16.66081 30.64698 15.13428 3.988071       22.50842 
1 1 1 6  14 54  o 25.98145 12.54739 -0.1555838E-02 0.1359202     0.3883709E-01  0.1919056     -0.4221469E-01 0.1925363     28.67966 14.08004 26.93328 13.38169 1.746386       19.42465 
1 1 1 6  14 55  o 17.86051 8.998037 -0.1843134     0.1022595     0.000000       0.000000      -0.1843134     0.1022595     ?        ?        17.86051 8.998037 0.000000       8.998037 
1 1 1 6  14 56  o ?        ?        -0.2135928     0.5692935E-01 0.000000       0.000000      -0.2135928     0.5692935E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 2   o 37.82518 17.04019 0.8670016E-02  0.1875786     0.000000       0.000000      0.8670016E-02  0.1875786     ?        ?        37.82518 17.04019 0.000000       17.04019 
1 1 1 6  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 12  o ?        ?        -0.3166379     0.5266459E-01 0.000000       0.000000      -0.3166379     0.5266459E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 21  o ?        ?        -0.3061377     0.5619222E-01 -0.3061377     0.5619222E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 22  o ?        ?        -0.2965623     0.5696715E-01 0.000000       0.000000      -0.2965623     0.5696715E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 23  o 34.43835 16.15210 -0.2412608E-01 0.1940357     0.000000       0.000000      -0.2412608E-01 0.1940357     ?        ?        34.43835 16.15210 0.000000       16.15210 
1 1 1 6  15 24  o 28.37526 13.64901 -0.1154741     0.1570693     0.000000       0.000000      -0.1154741     0.1570693     ?        ?        28.37526 13.64901 0.000000       13.64901 
1 1 1 6  15 25  o ?        ?        -0.4602695     0.6611138E-01 0.000000       0.000000      -0.4602695     0.6611138E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 26  o 25.53198 12.47101 -0.1598229     0.1448321     0.000000       0.000000      -0.1598229     0.1448321     ?        ?        25.53198 12.47101 0.000000       12.47101 
1 1 1 6  15 27  o 44.71148 20.54667 0.2720038      0.2903099     0.000000       0.000000      0.2720038      0.2903099     ?        ?        44.71148 20.54667 0.000000       20.54667 
1 1 1 6  15 28  f 42.73337 19.86547 0.2377160      0.2830408     0.000000       0.000000      0.2377160      0.2830408     ?        ?        42.73337 19.86547 0.000000       19.86547 
1 1 1 6  15 29  o 25.82607 12.34614 -0.7142240E-01 0.1241491     0.1107533      0.1682172     -0.2893573     0.1839876     36.50342 16.31423 25.26538 12.63550 11.23804       20.63516 
1 1 1 6  15 30  o 19.03083 9.562313 -0.2502562     0.1115028     0.000000       0.000000      -0.2502562     0.1115028     ?        ?        19.03083 9.562313 0.000000       9.562313 
1 1 1 6  15 31  o 26.20385 12.17858 -0.1135034E-01 0.1062783     0.1154258      0.1278357     -0.2950789     0.1912427     34.77679 14.90199 25.02993 12.56936 9.746861       19.49508 
1 1 1 6  15 32  o 20.56427 10.20708 -0.1703115     0.1109373     0.000000       0.000000      -0.1703115     0.1109373     ?        ?        20.56427 10.20708 0.000000       10.20708 
1 1 1 6  15 33  o 35.39981 17.09984 0.1551324      0.2528132     0.000000       0.000000      0.1551324      0.2528132     ?        ?        35.39981 17.09984 0.000000       17.09984 
1 1 1 6  15 34  o 22.93796 11.39595 -0.1592918     0.1395528     0.000000       0.000000      -0.1592918     0.1395528     ?        ?        22.93796 11.39595 0.000000       11.39595 
1 1 1 6  15 35  o 35.15432 17.21945 0.2652598      0.2819814     0.000000       0.000000      0.2652598      0.2819814     ?        ?        35.15432 17.21945 0.000000       17.21945 
1 1 1 6  15 36  o 32.57728 16.08274 0.1924074      0.2621769     0.000000       0.000000      0.1924074      0.2621769     ?        ?        32.57728 16.08274 0.000000       16.08274 
1 1 1 6  15 37  o ?        ?        -0.3658302     0.6427819E-01 0.000000       0.000000      -0.3658302     0.6427819E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 38  o 28.53627 14.29198 0.1026455      0.2393629     0.000000       0.000000      0.1026455      0.2393629     ?        ?        28.53627 14.29198 0.000000       14.29198 
1 1 1 6  15 39  o 26.92784 13.55240 0.7195646E-01  0.2287686     0.000000       0.000000      0.7195646E-01  0.2287686     ?        ?        26.92784 13.55240 0.000000       13.55240 
1 1 1 6  15 40  o 27.07611 13.76520 0.2197750      0.2759923     0.000000       0.000000      0.2197750      0.2759923     ?        ?        27.07611 13.76520 0.000000       13.76520 
1 1 1 6  15 41  o ?        ?        -0.2852452     0.6583190E-01 0.000000       0.000000      -0.2852452     0.6583190E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 6  15 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 12  o 22.84970 11.72634 0.2205174      0.2472133     0.000000       0.000000      0.2205174      0.2472133     ?        ?        22.84970 11.72634 0.000000       11.72634 
1 1 1 6  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  0   o 541.4263 23.76549 20.41794       1.768951      20.41794       1.768951      0.000000       0.000000      541.4263 23.76549 541.4263 23.76549 0.000000       0.000000 
1 1 1 7  0  1   o 888.4968 19.18452 54.79937       2.351189      52.13703       3.229369      57.80252       3.429845      864.2545 27.12112 910.0480 27.35023 0.000000       0.000000 
1 1 1 7  0  2   o 882.8477 27.10868 54.39839       3.297647      54.39839       3.297647      0.000000       0.000000      882.8477 27.10868 882.8477 27.10868 0.000000       0.000000 
1 1 1 7  0  3   o 508.8423 23.60047 18.10043       1.650093      18.10043       1.650093      0.000000       0.000000      508.8423 23.60047 508.8423 23.60047 0.000000       0.000000 
1 1 1 7  0  4   o 162.0576 23.87889 1.937730       0.5003060     1.937730       0.5003060     0.000000       0.000000      162.0576 23.87889 162.0576 23.87889 0.000000       0.000000 
1 1 1 7  0  5   f 198.1812 16.01618 2.772011       0.4317026     2.560158       0.5987870     3.001321       0.6229702     187.4651 24.25006 204.2119 22.82315 0.000000       0.000000 
1 1 1 7  0  6   o 192.8366 16.14219 2.628295       0.4228937     3.442044       0.5974858     1.811399       0.5986400     220.1086 20.04060 151.9960 32.46787 0.000000       0.000000 
1 1 1 7  0  7   o 353.6781 16.20598 8.716325       0.7876620     9.859717       1.119857      7.596853       1.108081      375.0114 21.79465 327.8089 24.80671 0.000000       0.000000 
1 1 1 7  0  8   o 422.4067 13.31146 12.38088       0.7746699     12.77394       1.340801      12.18392       0.9491154     427.0255 22.88930 418.4586 16.48397 0.000000       0.000000 
1 1 1 7  0  9   o 835.4651 15.34095 48.37445       1.768432      48.34438       3.047528      48.38973       2.171416      832.0492 26.58681 834.7878 18.85948 0.000000       0.000000 
1 1 1 7  0  10  o 865.0178 15.52941 51.86137       1.853541      50.35769       3.149191      52.65839       2.292733      849.0587 26.92237 870.7877 19.08862 0.000000       0.000000 
1 1 1 7  0  11  o 490.7923 13.55486 16.70607       0.9170247     17.30705       1.594703      16.40916       1.120890      497.3931 23.33596 485.8160 16.75427 0.000000       0.000000 
1 1 1 7  0  12  o 165.6324 11.15126 1.922643       0.2523859     2.066923       0.3587052     1.781187       0.3551762     170.6932 15.51356 157.7361 16.78503 0.000000       0.000000 
1 1 1 7  0  13  o 562.5695 12.02332 21.92130       0.9330193     22.50792       1.332430      21.35694       1.306918      569.1514 16.98850 554.3426 17.11078 0.000000       0.000000 
1 1 1 7  0  14  o 285.7543 11.20059 5.672945       0.4404062     5.717899       0.6251292     5.628645       0.6205528     285.9788 15.94394 283.7147 15.95554 0.000000       0.000000 
1 1 1 7  0  15  o 112.2270 13.49432 0.9086415      0.2011093     0.9638628      0.3547443     0.8824884      0.2441306     108.9016 27.27152 108.8337 17.63323 0.000000       0.000000 
1 1 1 7  0  16  o 45.73239 19.03296 0.2039208      0.1199391     0.2707417      0.1735694     0.1428543      0.1659274     52.06361 22.97894 38.63147 21.33430 0.000000       0.000000 
1 1 1 7  0  17  o 151.2529 13.01086 1.618147       0.2671106     1.679852       0.3289076     1.498619       0.4577742     153.2745 15.93490 139.8774 26.46127 0.000000       0.000000 
1 1 1 7  0  18  o 157.8982 11.14655 1.750170       0.2402456     1.825880       0.3408944     1.675460       0.3386340     160.0389 15.77806 152.8550 16.53402 0.000000       0.000000 
1 1 1 7  0  19  o 169.8096 11.11218 2.020186       0.2579953     2.027193       0.3652936     2.013212       0.3644288     168.7827 16.00448 168.1771 16.02747 0.000000       0.000000 
1 1 1 7  0  20  o 199.4001 11.10432 2.776176       0.3035743     2.684958       0.4293756     2.867346       0.4292622     194.7891 16.22262 201.5923 15.63733 0.000000       0.000000 
1 1 1 7  0  21  o 326.3369 11.25721 7.395056       0.5058969     7.580656       0.7182896     7.212365       0.7126363     329.5009 15.87114 321.2734 16.15729 0.000000       0.000000 
1 1 1 7  0  22  o 295.4563 11.21132 6.066722       0.4558963     6.180498       0.6468803     5.954443       0.6426104     297.2599 15.86296 291.6765 16.06686 0.000000       0.000000 
1 1 1 7  0  23  o 363.4055 11.35428 9.167183       0.5684968     9.602617       0.8099304     8.744323       0.7981508     371.0309 15.87493 353.8353 16.41650 0.000000       0.000000 
1 1 1 7  0  24  o 441.0822 13.36620 13.51741       0.8123850     13.84984       1.412952      13.35325       0.9929119     443.7092 23.20663 437.6670 16.48274 0.000000       0.000000 
1 1 1 7  0  25  f 292.3478 15.97800 5.984640       0.6405974     6.252620       0.9081758     5.719282       0.9037238     296.9068 22.44694 283.3726 23.46640 0.000000       0.000000 
1 1 1 7  0  26  o 74.01024 15.72078 0.4270823      0.1412480     0.4075524      0.1729912     0.4661445      0.2446533     68.77563 20.87058 70.16127 26.78954 0.000000       0.000000 
1 1 1 7  0  27  o 383.1276 11.42083 10.19150       0.6029825     9.844874       0.8488393     10.54459       0.8567070     375.3902 16.44773 388.6868 16.02417 0.000000       0.000000 
1 1 1 7  0  28  o 218.0483 11.14993 3.317871       0.3337053     3.178808       0.4713918     3.457571       0.4724713     212.0612 16.32072 221.5216 15.62475 0.000000       0.000000 
1 1 1 7  0  29  o 154.6373 11.23715 1.682070       0.2370313     1.605003       0.3342559     1.760026       0.3361782     149.2280 16.76536 156.8237 15.89921 -0.000000      0.000000 
1 1 1 7  0  30  o 257.4358 11.20242 4.616759       0.3965002     4.312013       0.5578223     4.927957       0.5636958     247.3986 16.49739 264.9719 15.52868 -0.000000      0.000000 
1 1 1 7  0  31  o 335.2388 11.32919 7.814042       0.5230767     7.805265       0.7398152     7.822815       0.7396690     333.8464 16.13457 334.2306 16.11240 0.000000       0.000000 
1 1 1 7  0  32  o 279.8264 11.23789 5.452602       0.4326303     5.413857       0.6117184     5.491377       0.6119450     277.5818 16.08317 279.6158 15.96854 0.000000       0.000000 
1 1 1 7  0  33  o 224.9156 11.19462 3.532280       0.3457050     3.529733       0.4886530     3.534832       0.4891489     223.5165 16.02178 223.6789 16.02622 -0.000000      0.000000 
1 1 1 7  0  34  o 96.72291 11.96105 0.6778386      0.1531850     0.6522980      0.2158391     0.7037601      0.2174425     91.15601 19.52703 95.67545 18.43367 -0.000000      0.000000 
1 1 1 7  0  35  o 257.1867 11.25175 4.613069       0.3978421     4.927865       0.5661045     4.305876       0.5592261     264.6799 15.61390 246.9198 16.57324 0.000000       0.000000 
1 1 1 7  0  36  o 541.8564 13.87974 20.45348       1.036953      20.95897       1.277436      19.47691       1.775570      547.3379 16.93902 523.6688 24.68008 -0.000000      0.000000 
1 1 1 7  0  37  o 365.9163 13.25814 9.342401       0.6678932     9.380726       1.155376      9.323166       0.8185124     362.7300 23.28769 364.5472 16.33515 -0.000000      0.000000 
1 1 1 7  0  38  o 190.0723 13.08728 2.546346       0.3397446     2.513526       0.5867491     2.562899       0.4167075     184.2910 24.21719 189.6749 16.18143 -0.000000      0.000000 
1 1 1 7  0  39  o 121.5611 11.61913 1.053430       0.1909392     1.208374       0.2714764     0.9017470      0.2686040     128.8242 15.91369 108.5443 19.89540 0.000000       0.000000 
1 1 1 7  0  40  o 156.8008 11.38376 1.733390       0.2434890     1.689592       0.3435155     1.777614       0.3451813     152.8801 16.78842 157.1296 16.31185 -0.000000      0.000000 
1 1 1 7  0  41  o 224.5413 11.29048 3.526700       0.3480440     3.549837       0.4919497     3.503513       0.4924677     223.7866 16.11212 222.2509 16.24662 -0.000000      0.000000 
1 1 1 7  0  42  o 137.4756 11.53568 1.339843       0.2154339     1.312785       0.3041786     1.367077       0.3051627     133.8690 17.24149 136.9143 16.82223 -0.000000      0.000000 
1 1 1 7  0  43  o 271.0300 11.34397 5.128052       0.4228505     5.314093       0.5993102     4.943627       0.5967004     274.4843 15.93525 264.4431 16.48819 -0.000000      0.000000 
1 1 1 7  0  44  o 219.4747 13.14114 3.387285       0.3949803     3.606889       0.4855515     2.957693       0.6791146     225.6823 15.75760 199.4052 25.86495 -0.000000      0.000000 
1 1 1 7  0  45  o 313.3982 16.28037 6.916604       0.7001881     6.924521       0.9913591     6.908721       0.9890760     310.3423 23.44158 309.9971 23.41359 -0.000000      0.000000 
1 1 1 7  0  46  o 246.5007 13.16418 4.262902       0.4451550     4.445163       0.7732867     4.172565       0.5444091     247.8009 23.05845 242.7726 16.41224 -0.000000      0.000000 
1 1 1 7  0  47  o 77.03344 13.62419 0.4488947      0.1313940     0.3496660      0.1851061     0.5496673      0.1865405     60.44816 23.35942 83.25578 18.57532 -0.000000      0.000000 
1 1 1 7  0  48  o 279.4124 11.39627 5.446943       0.4380275     5.390601       0.6194462     5.503292       0.6194828     276.4240 16.36012 279.3915 16.18172 0.000000       0.000000 
1 1 1 7  0  49  o 182.1807 11.46088 2.331120       0.2856936     2.428547       0.4042125     2.233866       0.4038513     184.4850 16.15240 176.4661 16.93184 -0.000000      0.000000 
1 1 1 7  0  50  o 410.0211 11.69009 11.70072       0.6606370     12.00707       0.9371964     11.39816       0.9313940     413.7545 16.46322 402.9425 16.80635 -0.000000      0.000000 
1 1 1 7  0  51  o 339.2151 11.52476 8.014221       0.5384027     8.008187       0.7604429     8.020288       0.7623937     337.5819 16.40186 337.8277 16.43218 -0.000000      0.000000 
1 1 1 7  0  52  f 183.8283 11.52511 2.372548       0.2899112     2.416660       0.4095160     2.328229       0.4104785     183.9914 16.41965 180.3654 16.81765 -0.000000      0.000000 
1 1 1 7  0  53  o 225.9353 11.47010 3.569389       0.3557358     3.579486       0.5023843     3.559235       0.5037915     224.7844 16.38582 224.1030 16.48545 -0.000000      0.000000 
1 1 1 7  0  54  o 251.2830 11.46631 4.408687       0.3959685     4.517197       0.5603529     4.300462       0.5596159     252.9922 16.19255 246.6323 16.60521 -0.000000      0.000000 
1 1 1 7  0  55  o 355.2198 11.60999 8.784743       0.5680868     8.327865       0.7988910     9.252074       0.8079782     344.1993 16.90185 363.1812 16.18475 0.000000       0.000000 
1 1 1 7  0  56  o 100.7068 15.08097 0.7511002      0.1958522     0.6082557      0.3403660     0.8218085      0.2394690     78.38703 31.97511 104.0488 18.37901 0.000000       0.000000 
1 1 1 7  0  57  o 182.3563 13.49795 2.349240       0.3356001     2.426884       0.4125921     2.197430       0.5769175     184.3737 16.51081 170.7133 26.34021 0.000000       0.000000 
1 1 1 7  0  58  o 188.0535 13.47153 2.496027       0.3456887     2.353070       0.4228727     2.784010       0.6001946     181.1821 17.26271 194.9265 23.16095 0.000000       0.000000 
1 1 1 7  0  59  o 171.6496 11.66977 2.073135       0.2736592     2.018923       0.3876490     2.126992       0.3863794     167.4854 17.17579 172.2660 16.59720 0.000000       0.000000 
1 1 1 7  0  60  o 93.30602 13.20530 0.6400389      0.1603087     0.7622206      0.2281950     0.5209851      0.2252552     99.85034 18.38911 76.96028 24.14612 0.000000       0.000000 
1 1 1 7  0  61  o 108.7122 12.55242 0.8532355      0.1818930     0.9307224      0.2566871     0.7750828      0.2577876     111.2883 18.15440 98.97329 21.52409 -0.000000      0.000000 
1 1 1 7  0  62  o 244.9558 11.58665 4.195206       0.3899094     4.330000       0.5515648     4.060559       0.5512658     247.3947 16.30873 239.2621 16.87883 -0.000000      0.000000 
1 1 1 7  0  63  o 219.4757 11.63322 3.374385       0.3502907     3.435540       0.4948816     3.312979       0.4958917     219.8807 16.51372 215.7156 16.88620 -0.000000      0.000000 
1 1 1 7  0  64  o 69.21356 18.82434 0.4002601      0.1555193     0.4589742      0.2682793     0.3705435      0.1908596     67.61372 28.49560 62.46444 23.60796 0.000000       0.000000 
1 1 1 7  0  65  o 220.1061 16.70223 3.448478       0.5009056     3.400006       0.7077608     3.497123       0.7090160     214.7173 24.72284 218.0900 24.31783 -0.000000      0.000000 
1 1 1 7  0  66  o 103.8827 15.68785 0.8028255      0.2098592     0.6591651      0.3585932     0.8776576      0.2588080     81.35109 32.75854 107.0334 19.40245 -0.000000      0.000000 
1 1 1 7  0  67  o 58.94200 17.83369 0.3005588      0.1266281     0.2786220      0.1771319     0.3234876      0.1810920     52.30910 23.21583 57.39011 23.30852 -0.000000      0.000000 
1 1 1 7  0  68  o 242.8545 11.73410 4.132872       0.3913959     4.356906       0.5538536     3.909380       0.5531817     247.7189 16.35549 234.0674 17.33400 -0.000000      0.000000 
1 1 1 7  0  69  o 150.6997 12.21133 1.612292       0.2502667     1.725651       0.3524125     1.496959       0.3554684     154.0671 17.10454 142.1895 19.06752 -0.000000      0.000000 
1 1 1 7  0  70  o 166.2118 12.11011 1.954434       0.2745473     2.013710       0.3861136     1.893817       0.3904598     166.7553 17.18685 161.1299 18.14102 -0.000000      0.000000 
1 1 1 7  0  71  o 34.16786 17.59618 0.1202487      0.1061460     0.1390214      0.1448441     0.9847228E-01  0.1560024     37.15382 20.13348 33.97076 19.88079 -0.000000      0.000000 
1 1 1 7  0  72  o 161.4806 12.25480 1.848048       0.2696340     1.939073       0.3789296     1.754688       0.3837563     163.4786 17.22395 154.5653 18.70939 -0.000000      0.000000 
1 1 1 7  0  73  o 239.5876 11.89022 4.028230       0.3911520     4.244098       0.5522563     3.810924       0.5540931     244.1660 16.55484 230.7109 17.62982 -0.000000      0.000000 
1 1 1 7  0  74  f 120.6172 13.16012 1.050586       0.2125580     0.9749355      0.2963960     1.130689       0.3049932     111.8949 21.46985 122.2833 19.56402 -0.000000      0.000000 
1 1 1 7  0  75  o 127.0975 12.88399 1.161114       0.2207863     1.228223       0.3114687     1.093338       0.3130150     128.1521 18.78272 119.3544 20.91318 -0.000000      0.000000 
1 1 1 7  0  76  o 52.43974 21.69762 0.2725251      0.1560875     0.1376292      0.1859428     0.5943726      0.2872135     38.48491 22.05924 79.14214 28.64039 -0.000000      0.000000 
1 1 1 7  0  77  o 101.2787 17.52899 0.7812137      0.2231198     0.7669612      0.3767175     0.7889147      0.2769139     88.82797 33.03108 98.17548 23.55100 -0.000000      0.000000 
1 1 1 7  0  78  o 105.2492 14.29744 0.8159104      0.1969603     0.8753196      0.2733961     0.7518062      0.2839941     105.6122 21.13049 94.28039 25.24467 -0.000000      0.000000 
1 1 1 7  0  79  o 111.7366 14.30067 0.9148570      0.2107513     0.9145179      0.2934768     0.9152181      0.3028383     107.3347 22.47667 106.7378 23.48109 -0.000000      0.000000 
1 1 1 7  0  80  o 276.7551 12.09196 5.373343       0.4600868     5.323772       0.6532233     5.422143       0.6481287     273.1123 17.48573 275.8124 17.17054 0.000000       0.000000 
1 1 1 7  0  81  o 196.0678 12.47137 2.715813       0.3345114     2.527871       0.4747930     2.901051       0.4713666     186.2498 18.90838 200.6889 17.30578 0.000000       0.000000 
1 1 1 7  0  82  o 83.21220 17.96202 0.5486399      0.1810484     0.4406380      0.2520763     0.6637143      0.2601990     65.93320 27.60661 87.86481 24.76968 -0.000000      0.000000 
1 1 1 7  0  83  o 167.1452 12.92218 1.987756       0.2941415     1.827774       0.4178042     2.144973       0.4141774     156.6952 20.23942 171.4896 17.94026 0.000000       0.000000 
1 1 1 7  0  84  o 164.3605 15.32241 1.947857       0.3408003     2.356332       0.5922800     1.745675       0.4166929     174.9821 26.25583 152.5068 20.90226 0.000000       0.000000 
1 1 1 7  0  85  o 199.1150 18.29255 2.882963       0.4931811     2.680757       0.6980066     3.084542       0.6969216     184.5389 29.69967 201.0269 26.36330 0.000000       0.000000 
1 1 1 7  0  86  o 127.4635 17.22402 1.209923       0.2875645     1.174118       0.3550663     1.278178       0.4902371     121.6611 23.71965 119.2026 34.33984 0.000000       0.000000 
1 1 1 7  0  87  f 196.7964 12.89746 2.753717       0.3470237     2.722743       0.4934558     2.784027       0.4881190     192.4362 18.99522 194.9369 18.51792 0.000000       0.000000 
1 1 1 7  0  88  o 134.7968 14.26801 1.324321       0.2587649     1.298070       0.3701667     1.349409       0.3618719     128.2403 23.14304 131.9316 21.60458 0.000000       0.000000 
1 1 1 7  0  89  o 42.38279 21.89099 0.1935161      0.1645653     0.1090700      0.2392967     0.2692901      0.2266768     38.42868 23.54208 49.41650 25.64552 0.000000       0.000000 
1 1 1 7  0  90  o 25.59984 16.70728 -0.6603966E-02 0.1444016     -0.2567731E-01 0.2129359     0.9635982E-02  0.1964843     30.06160 19.84802 30.50120 19.75218 0.000000       0.000000 
1 1 1 7  0  91  o 172.3176 13.60598 2.147127       0.3190982     2.099159       0.4575081     2.192567       0.4452860     165.4057 20.94585 170.1638 19.63028 0.000000       0.000000 
1 1 1 7  0  92  o 52.51892 23.44869 0.2957795      0.1806655     0.3010674      0.2666285     0.2912907      0.2456573     51.05362 27.42693 50.37213 26.54426 0.000000       0.000000 
1 1 1 7  0  93  o 146.8895 14.36991 1.588379       0.2850595     1.593066       0.4103110     1.584006       0.3963228     140.9857 22.88529 141.3605 21.86023 0.000000       0.000000 
1 1 1 7  0  94  o 74.32518 22.53795 0.5030788      0.2018632     0.6341885      0.2914635     0.3822123      0.2798463     78.68433 28.98393 56.62549 28.70159 0.000000       0.000000 
1 1 1 7  0  95  o 144.6785 17.11829 1.588542       0.3293872     1.025911       0.5735977     1.865359       0.4023387     87.31126 41.60532 155.1658 19.63400 0.000000       0.000000 
1 1 1 7  0  96  o 46.99544 26.31546 0.2569788      0.2564527     0.2480038      0.3683088     0.2654253      0.3572995     48.24624 29.39181 48.87196 29.36489 0.000000       0.000000 
1 1 1 7  0  97  o 27.88401 18.11343 0.9680521E-02  0.1669662     0.2952244E-01  0.2014090     -0.3391599E-01 0.2985471     31.21255 20.13297 34.28573 22.91335 0.000000       0.000000 
1 1 1 7  0  98  o 26.41231 17.16263 0.6531585E-02  0.1500505     0.3178650E-01  0.2144445     -0.1769452E-01 0.2100311     32.08603 20.72518 29.60381 19.60073 0.000000       0.000000 
1 1 1 7  0  99  o 75.36404 22.52242 0.5189253      0.2041100     0.6431528      0.2866951     0.3912416      0.2906559     79.18263 28.59834 56.38824 29.10036 -0.000000      0.000000 
1 1 1 7  0  100 o 115.5057 16.84206 1.030980       0.2519423     0.9635848      0.3534056     1.100630       0.3592671     100.9848 29.21071 111.3939 26.94511 -0.000000      0.000000 
1 1 1 7  0  101 o 140.5092 15.44952 1.482265       0.2905112     1.337899       0.4065146     1.632950       0.4153167     123.8778 27.14511 141.5417 23.09652 -0.000000      0.000000 
1 1 1 7  0  102 o 165.6888 14.69199 2.032734       0.3300546     2.063438       0.4636388     2.001187       0.4699608     160.6280 22.09244 157.1605 23.12409 -0.000000      0.000000 
1 1 1 7  0  103 o 216.3746 15.92915 3.482427       0.4699943     3.184665       0.5721276     4.100399       0.8242188     201.3977 21.10349 219.5269 28.51948 -0.000000      0.000000 
1 1 1 7  0  104 o 198.9491 19.65063 3.080277       0.5277438     3.516533       0.7531072     2.659352       0.7397566     201.5071 28.76321 164.4527 37.37064 -0.000000      0.000000 
1 1 1 7  0  105 o 111.9528 20.31063 1.031632       0.2833332     0.6213064      0.4761083     1.256630       0.3525580     64.06506 35.86308 121.3181 23.61151 -0.000000      0.000000 
1 1 1 7  0  106 o 112.2857 16.30660 0.9924767      0.2372932     1.126481       0.3346843     0.8570227      0.3364894     112.5555 24.58680 89.82181 30.33081 -0.000000      0.000000 
1 1 1 7  0  107 f 34.36976 19.82800 0.1329206      0.1517556     -0.2119672     0.2061826     0.5406249      0.2241743     22.45354 15.91636 72.35014 24.92869 -0.000000      0.000000 
1 1 1 7  0  108 o 58.81933 23.06206 0.3802041      0.1793711     0.4384911      0.2468288     0.3149763      0.2611114     57.94229 27.32838 47.16085 26.49474 -0.000000      0.000000 
1 1 1 7  0  109 o 84.13176 20.74439 0.6527652      0.2086429     0.3435545      0.2888948     0.9898819      0.3016495     46.91851 27.23049 100.5107 25.12342 -0.000000      0.000000 
1 1 1 7  0  110 o 66.65299 23.25437 0.4879529      0.1935772     0.4304377      0.2700412     0.5487490      0.2776359     51.56439 27.63366 60.43150 28.92881 -0.000000      0.000000 
1 1 1 7  0  111 o 54.68076 23.73417 0.3938215      0.1852757     0.4011064      0.2587402     0.3861552      0.2654266     47.39044 26.47126 45.94439 26.34652 -0.000000      0.000000 
1 1 1 7  0  112 o 36.51987 20.73152 0.2158640      0.1621093     0.2131292      0.2335871     0.2184050      0.2251596     34.42680 22.00043 34.79907 21.97674 0.000000       0.000000 
1 1 1 7  0  113 o 29.42576 18.84470 0.1494722      0.1725063     0.1579999      0.2060186     0.1294670      0.3155458     29.64923 19.55832 29.10796 20.44282 -0.000000      0.000000 
1 1 1 7  0  114 o 26.33665 18.11426 0.1351919      0.2157877     0.3646972      0.2999863     -0.1108912     0.3106318     31.52605 21.59883 22.89460 16.68844 -0.000000      0.000000 
1 1 1 7  0  115 o 22.28922 15.80139 0.8672980E-01  0.2033870     -0.1265285     0.2861271     0.3045367      0.2891624     20.12580 14.80409 25.97250 18.48997 -0.000000      0.000000 
1 1 1 7  0  116 f 22.19330 15.93344 0.2629197      0.2334599     0.3598940      0.3301344     0.1659127      0.3301900     21.67700 15.94110 20.06676 14.85051 -0.000000      0.000000 
1 1 1 7  0  117 o 15.36102 11.34634 -0.1591331E-01 0.1838585     0.1601104      0.2632497     -0.1835441     0.2568970     16.94952 12.58979 14.83719 11.08816 0.000000       0.000000 
1 1 1 7  0  118 o 14.46836 10.78286 0.1696984      0.2164477     0.9313589E-01  0.3042982     0.2481050      0.3079410     13.90088 10.39211 14.38297 10.74602 -0.000000      0.000000 
1 1 1 7  0  119 o 10.38135 7.748374 -0.1734489     0.1475554     -0.1037922     0.2101456     -0.2411891     0.2072345     11.21929 8.389034 10.76010 8.050162 -0.000000      0.000000 
1 1 1 7  0  120 o 8.818450 6.593351 -0.2409019     0.1281728     -0.1285552     0.1834404     -0.3480701     0.1791628     9.800455 7.335314 9.165325 6.863565 0.000000       0.000000 
1 1 1 7  0  121 o 8.891350 6.661516 0.3549638E-02  0.1899975     -0.2621642E-01 0.2682951     0.3349473E-01  0.2691008     8.885878 6.660045 8.948281 6.706916 0.000000       0.000000 
1 1 1 7  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  0   o 383.0020 23.29673 10.30215       1.221624      10.30215       1.221624      0.000000       0.000000      383.0020 23.29673 383.0020 23.29673 0.000000       0.000000 
1 1 1 7  1  1   o 248.5360 22.79396 4.350786       0.7735370     4.350786       0.7735370     0.000000       0.000000      248.5360 22.79396 ?        ?        0.000000       22.79396 
1 1 1 7  1  2   o 301.4798 12.92229 6.299490       0.5379423     6.462760       0.6642560     5.988352       0.9169757     304.6609 15.84462 291.8636 22.93787 12.79733       27.87827 
1 1 1 7  1  3   o 272.0110 12.99394 5.128493       0.4880510     4.211047       0.5932165     7.050276       0.8585690     245.4613 17.61940 317.5312 19.67867 -72.06981      26.41389 
1 1 1 7  1  4   o 517.5592 11.90857 18.55562       0.8510551     17.72725       1.192113      19.41661       1.215371      504.9843 17.09628 528.5914 16.65140 -23.60712      23.86529 
1 1 1 7  1  5   o 415.4672 11.59724 11.95552       0.6653182     10.65671       0.9271443     13.33439       0.9552909     391.5108 17.15006 438.1763 15.78879 -46.66553      23.31116 
1 1 1 7  1  6   o 451.0302 11.66252 14.09088       0.7263335     14.12746       1.031470      14.05491       1.022964      450.8670 16.56800 449.7246 16.47312 1.142456       23.36369 
1 1 1 7  1  7   o 588.2959 12.25133 23.98197       0.9952153     25.10424       1.437126      22.94784       1.379534      600.8109 17.32284 574.4106 17.39289 26.40033       24.54778 
1 1 1 7  1  8   o 594.6142 12.22650 24.50058       1.003865      25.21122       1.440858      23.83024       1.399408      602.0610 17.33177 585.3439 17.31392 16.71704       24.49820 
1 1 1 7  1  9   o 584.5798 11.88269 23.67739       0.9591725     28.04374       1.441908      20.21165       1.284625      635.1761 16.44014 539.0482 17.25880 96.12793       23.83578 
1 1 1 7  1  10  o 557.7995 10.77072 21.54531       0.8295852     22.30856       1.330277      21.05958       1.061219      566.3414 17.01084 550.9234 13.95005 15.41803       21.99937 
1 1 1 7  1  11  o 357.8605 9.345591 8.861893       0.4618048     10.80533       0.6699730     7.102708       0.6374234     394.8289 12.28883 319.8735 14.43151 74.95541       18.95478 
1 1 1 7  1  12  o 345.2107 10.11681 8.250312       0.4822430     8.606321       0.6257338     7.729551       0.7567952     352.2821 12.86356 333.3884 16.43955 18.89368       20.87414 
1 1 1 7  1  13  o 210.4758 9.890636 3.066800       0.2874514     3.326770       0.3728499     2.685857       0.4513381     218.7003 12.39758 195.7608 16.86151 22.93953       20.92870 
1 1 1 7  1  14  o 246.9704 9.071283 4.221044       0.3093511     4.479482       0.4392331     3.966672       0.4357645     254.1488 12.51610 238.7297 13.27167 15.41911       18.24253 
1 1 1 7  1  15  o 174.8759 9.914653 2.124285       0.2384268     2.279617       0.3773979     2.021106       0.3075839     180.4522 15.28979 170.1540 13.19450 10.29816       20.19585 
1 1 1 7  1  16  o 167.8742 9.095490 1.956321       0.2100508     1.968290       0.2961242     1.944201       0.2979981     167.9344 12.86806 166.8745 13.03609 1.059875       18.31738 
1 1 1 7  1  17  o 223.7833 8.396171 3.465235       0.2594460     3.359031       0.3416374     3.609937       0.3987785     219.8431 11.29231 227.7280 12.73270 -7.884872      17.01875 
1 1 1 7  1  18  o 138.7368 7.886374 1.335909       0.1504562     1.427235       0.2129708     1.244913       0.2125841     143.0929 10.85963 133.4811 11.65059 9.611816       15.92695 
1 1 1 7  1  19  o 111.4795 7.933155 0.8641903      0.1213209     0.8968721      0.1717180     0.8316180      0.1714297     113.1971 11.12997 108.8953 11.57852 4.301834       16.06045 
1 1 1 7  1  20  o 225.9062 7.863748 3.531175       0.2452989     3.621788       0.3471085     3.440774       0.3467020     228.5464 10.99899 222.4490 11.32469 6.097336       15.78691 
1 1 1 7  1  21  o 248.1818 8.418170 4.263736       0.2884866     4.191229       0.3813793     4.360713       0.4410602     245.8103 11.23619 250.2347 12.80767 -4.424438      17.03785 
1 1 1 7  1  22  o 331.8304 9.234577 7.627693       0.4231275     7.812093       0.6001874     7.445482       0.5966138     335.2744 12.96428 327.2731 13.20216 8.001312       18.50323 
1 1 1 7  1  23  o 267.4952 9.144639 4.956918       0.3377696     5.289409       0.5889682     4.793971       0.4123113     275.0111 15.57366 262.8203 11.36131 12.19089       19.27740 
1 1 1 7  1  24  o 410.9894 9.417329 11.70552       0.5344368     11.52747       0.7545856     11.88473       0.7570360     407.0696 13.42461 413.3667 13.26304 -6.297058      18.87137 
1 1 1 7  1  25  o 233.8598 8.422608 3.787683       0.2719820     3.750101       0.3591439     3.838221       0.4164733     232.4199 11.19070 234.5753 12.90747 -2.155426      17.08316 
1 1 1 7  1  26  o 253.6352 8.450634 4.456044       0.2959626     4.393592       0.3904305     4.540410       0.4537869     251.5354 11.24104 255.1476 12.92234 -3.612183      17.12741 
1 1 1 7  1  27  o 171.7040 7.848884 2.041472       0.1860914     1.975631       0.2621743     2.108328       0.2641831     168.2686 11.34996 173.8968 11.05957 -5.628204      15.84726 
1 1 1 7  1  28  o 175.3022 7.857048 2.128242       0.1901887     2.061175       0.2681089     2.196175       0.2698342     171.8614 11.36193 177.4717 11.06621 -5.610275      15.86047 
1 1 1 7  1  29  o 152.7233 7.912540 1.619995       0.1662905     1.662925       0.2349988     1.576941       0.2353421     154.3001 11.10388 150.1835 11.43444 4.116638       15.93871 
1 1 1 7  1  30  o 284.9366 7.947386 5.625438       0.3126875     5.523507       0.4409840     5.728506       0.4434400     281.8246 11.33198 287.0329 11.18833 -5.208252      15.92459 
1 1 1 7  1  31  o 219.8084 7.890550 3.348155       0.2394911     3.261992       0.3378698     3.435161       0.3395194     216.2428 11.35513 222.2495 11.06333 -6.006653      15.85359 
1 1 1 7  1  32  o 285.1493 7.949332 5.636181       0.3129975     5.603001       0.4422886     5.669469       0.4430030     283.7351 11.28898 285.4229 11.24035 -1.687805      15.93068 
1 1 1 7  1  33  f 170.0634 7.871171 2.005062       0.1848366     1.903775       0.2608345     2.107229       0.2619662     164.9316 11.52555 173.6652 10.98086 -8.733521      15.91910 
1 1 1 7  1  34  f 181.1708 8.427744 2.277359       0.2108325     2.242258       0.2786680     2.324348       0.3224181     179.0653 11.32875 181.9853 12.91441 -2.919952      17.17913 
1 1 1 7  1  35  o 233.0247 10.00030 3.776073       0.3217756     3.593406       0.5068066     3.899436       0.4164907     225.3974 16.39614 235.9174 12.83347 -10.52000      20.82141 
1 1 1 7  1  36  o 152.8327 9.196039 1.628746       0.1931650     1.593212       0.3342455     1.646564       0.2366933     149.5341 16.46036 153.2946 11.26086 -3.760483      19.94368 
1 1 1 7  1  37  o 352.6889 8.625226 8.638814       0.4200493     8.935977       0.5589837     8.253346       0.6366428     357.9471 11.30947 343.2950 13.43044 14.65210       17.55793 
1 1 1 7  1  38  o 311.2607 8.014615 6.724379       0.3444649     6.787210       0.4878695     6.661919       0.4864275     311.8922 11.32821 308.9791 11.40121 2.913086       16.07221 
1 1 1 7  1  39  o 260.2800 7.947158 4.702385       0.2856214     4.704083       0.4042154     4.700692       0.4036445     259.6248 11.27531 259.5342 11.26332 0.9066772E-01  15.93722 
1 1 1 7  1  40  o 506.2205 8.406017 17.80167       0.5875813     17.81670       0.8314759     17.78669       0.8304562     504.8670 11.92710 504.4440 11.92246 0.4230042      16.86418 
1 1 1 7  1  41  o 292.3978 7.997268 5.936812       0.3228894     5.902380       0.4565879     5.971256       0.4566810     290.6974 11.37484 292.4076 11.31062 -1.710175      16.04111 
1 1 1 7  1  42  o 252.4057 7.960714 4.424168       0.2774529     4.445882       0.3924807     4.402476       0.3922746     252.2920 11.26618 251.0445 11.31622 1.247513       15.96821 
1 1 1 7  1  43  o 247.1610 8.515813 4.245816       0.2906324     4.225003       0.3846510     4.273508       0.4436710     245.9271 11.32720 246.5258 13.08029 -0.5986938     17.30316 
1 1 1 7  1  44  o 225.1441 10.08571 3.532244       0.3135487     3.589117       0.4971372     3.494677       0.4040473     224.8095 16.12193 222.8450 13.18952 1.964508       20.82979 
1 1 1 7  1  45  o 418.9029 10.44689 12.23407       0.6042804     12.03944       0.9525008     12.36518       0.7817412     412.4402 16.72501 419.7856 13.48645 -7.345306      21.48512 
1 1 1 7  1  46  o 340.3020 8.664980 8.048252       0.4071646     7.798231       0.5360982     8.389066       0.6259146     334.0987 11.62068 345.9728 13.10193 -11.87411      17.51287 
1 1 1 7  1  47  o 241.5111 7.990617 4.049298       0.2664744     3.921444       0.3758567     4.178514       0.3778546     236.9732 11.48643 244.6894 11.18334 -7.716141      16.03138 
1 1 1 7  1  48  o 261.8734 8.024678 4.760752       0.2901730     4.584622       0.4089771     4.939296       0.4117703     256.2306 11.55926 266.0469 11.20879 -9.816376      16.10135 
1 1 1 7  1  49  o 242.9224 8.006305 4.096075       0.2685578     4.209540       0.3801957     3.983083       0.3794015     245.6353 11.20930 238.8709 11.50265 6.764374       16.06111 
1 1 1 7  1  50  o 294.4265 8.059583 6.016713       0.3276631     5.983215       0.4627492     6.050399       0.4640245     292.8216 11.44471 294.4699 11.41201 -1.648285      16.16215 
1 1 1 7  1  51  o 210.4125 8.009180 3.072347       0.2327007     2.997385       0.3283578     3.147980       0.3298240     206.9526 11.53637 212.1606 11.29919 -5.207977      16.14805 
1 1 1 7  1  52  o 111.5644 8.341584 0.8687639      0.1275729     0.8965184      0.1804844     0.8410517      0.1803463     112.7506 11.76598 109.0852 12.18100 3.665382       16.93561 
1 1 1 7  1  53  o 174.6165 8.057323 2.115752       0.1942738     2.080219       0.2744185     2.151454       0.2750719     172.3035 11.60157 175.2785 11.42778 -2.974991      16.28467 
1 1 1 7  1  54  o 318.2418 8.118950 7.027975       0.3567755     7.072670       0.5044850     6.983254       0.5046286     318.4482 11.47285 316.4073 11.55014 2.040955       16.27981 
1 1 1 7  1  55  o 248.4778 8.629834 4.287215       0.2960930     4.272374       0.3917466     4.306993       0.4522088     247.5068 11.46252 247.7465 13.26701 -0.2396545     17.53291 
1 1 1 7  1  56  o 221.8605 10.20776 3.425794       0.3127149     3.400757       0.4942200     3.442511       0.4038362     219.0723 16.45813 221.4104 13.27017 -2.338104      21.14161 
1 1 1 7  1  57  f 115.1380 9.734291 0.9284605      0.1533108     0.9704567      0.2183347     0.8876140      0.2153249     116.9218 13.78873 111.6328 14.29751 5.289070       19.86323 
1 1 1 7  1  58  f 197.3359 8.638226 2.704472       0.2353795     2.655700       0.3114351     2.769446       0.3594600     194.7468 11.63455 198.4981 13.18970 -3.751297      17.58781 
1 1 1 7  1  59  o 191.6540 8.104340 2.549507       0.2144734     2.527373       0.3035535     2.571569       0.3030695     189.9429 11.62976 191.6321 11.50674 -1.689240      16.36021 
1 1 1 7  1  60  o 187.1670 8.118405 2.431988       0.2098157     2.417084       0.2969774     2.446841       0.2964717     185.7027 11.64040 186.8688 11.54626 -1.166092      16.39558 
1 1 1 7  1  61  o 171.1825 8.161255 2.034997       0.1929098     2.078657       0.2734941     1.991767       0.2721422     172.1288 11.57412 168.4293 11.77556 3.699493       16.51134 
1 1 1 7  1  62  o 85.49288 9.068214 0.5139843      0.1054164     0.5709617      0.1501853     0.4586519      0.1480013     89.47748 12.49663 79.69559 13.95773 9.781883       18.73457 
1 1 1 7  1  63  o 237.9060 8.719165 3.935947       0.2864298     3.938984       0.3792801     3.931915       0.4369624     237.3494 11.57268 236.2540 13.45015 1.095413       17.74355 
1 1 1 7  1  64  o 319.4568 10.41054 7.121209       0.4592226     7.123428       0.7257271     7.119729       0.5930541     316.4987 16.66465 318.2799 13.49420 -1.781219      21.44304 
1 1 1 7  1  65  o 221.5340 10.40938 3.426430       0.3184221     3.448138       0.5018125     3.411798       0.4119906     219.7625 16.66068 219.7889 13.64250 -0.2642822E-01 21.53360 
1 1 1 7  1  66  o 282.5505 8.821606 5.558714       0.3441769     5.430829       0.4534570     5.732508       0.5286223     278.3584 11.79760 285.3600 13.41573 -7.001587      17.86520 
1 1 1 7  1  67  f 208.3366 8.240285 3.019991       0.2370531     2.925331       0.3348978     3.115044       0.3355907     203.8472 11.95010 210.4922 11.59079 -6.645020      16.64786 
1 1 1 7  1  68  o 252.3401 8.242226 4.431693       0.2871896     4.291784       0.4053234     4.572744       0.4069766     247.2643 11.87141 255.3443 11.54264 -8.080063      16.55787 
1 1 1 7  1  69  o 254.2431 8.263298 4.499936       0.2900952     4.435206       0.4099290     4.564873       0.4105850     251.3278 11.81218 255.0300 11.65934 -3.702225      16.59722 
1 1 1 7  1  70  o 63.60309 10.87835 0.2910200      0.9210513E-01 0.3044671      0.1321474     0.2783160      0.1284441     64.25423 15.14233 61.42757 15.22077 2.826668       21.47002 
1 1 1 7  1  71  o 158.2256 8.513711 1.749227       0.1853246     1.729559       0.2626653     1.768724       0.2615157     156.3404 12.26571 158.1721 12.06474 -1.831696      17.20481 
1 1 1 7  1  72  o 219.6976 8.339269 3.362133       0.2529830     3.237315       0.3575574     3.487250       0.3579870     214.2013 12.13877 222.5101 11.69243 -8.308838      16.85416 
1 1 1 7  1  73  o 138.4220 8.719718 1.341099       0.1658135     1.327938       0.2351398     1.354116       0.2338569     136.7375 12.59536 138.1506 12.39084 -1.413055      17.66850 
1 1 1 7  1  74  o 123.0844 8.953661 1.062452       0.1511317     0.9935674      0.2143649     1.130530       0.2131056     117.8634 13.41030 126.1180 12.39735 -8.254608      18.26281 
1 1 1 7  1  75  o 80.30244 11.93599 0.4630139      0.1283246     0.3508333      0.1818733     0.5742255      0.1810861     68.54074 18.69809 88.64784 15.34966 -20.10710      24.19154 
1 1 1 7  1  76  o 125.9934 11.50002 1.124559       0.1978662     0.9315959      0.3152331     1.250008       0.2541732     111.1805 21.30919 132.0611 14.15939 -20.88059      25.58457 
1 1 1 7  1  77  o 162.9561 10.10806 1.866211       0.2263227     1.918611       0.3235584     1.816013       0.3166895     163.7584 14.45751 159.2478 14.56321 4.510666       20.52088 
1 1 1 7  1  78  o 124.0953 9.240139 1.081689       0.1571988     1.116524       0.2230337     1.047302       0.2215985     125.0316 13.11376 120.9321 13.50093 4.099495       18.82142 
1 1 1 7  1  79  o 252.1350 8.533923 4.434590       0.2971117     4.357832       0.4197353     4.511675       0.4206250     248.6041 12.22726 253.0349 12.03862 -4.430847      17.15909 
1 1 1 7  1  80  o 204.1775 8.637295 2.909206       0.2435138     2.880717       0.3440584     2.937802       0.3447037     201.6788 12.41507 203.7159 12.31199 -2.037064      17.48482 
1 1 1 7  1  81  o 162.5323 8.957080 1.850802       0.2002463     1.645881       0.2820960     2.058936       0.2842989     151.7846 13.60393 170.4380 12.15989 -18.65343      18.24637 
1 1 1 7  1  82  o 163.3670 8.955126 1.870525       0.2012406     1.858996       0.2845497     1.882062       0.2846448     161.5945 12.85884 162.6299 12.77840 -1.035416      18.12835 
1 1 1 7  1  83  o 154.9148 9.745961 1.688200       0.2074130     1.814039       0.2757409     1.524215       0.3147716     159.6308 12.61242 144.8961 15.99949 14.73466       20.37294 
1 1 1 7  1  84  o 110.7395 12.72096 0.8799806      0.1909866     0.9311656      0.3014432     0.8456555      0.2468542     110.8871 20.44041 106.8601 17.32270 4.027054       26.79340 
1 1 1 7  1  85  o 163.6186 11.72576 1.902775       0.2631615     1.959557       0.4130107     1.863965       0.3414506     162.5626 18.74271 160.1762 15.63748 2.386322       24.40942 
1 1 1 7  1  86  o 136.3859 10.43262 1.318543       0.1949819     1.297546       0.2576872     1.346666       0.2982253     133.8495 14.15729 135.4007 16.27708 -1.551147      21.57248 
1 1 1 7  1  87  o 172.8292 9.180932 2.105510       0.2183139     1.997404       0.3091191     2.213091       0.3083673     166.3107 13.57920 175.5241 12.81161 -9.213394      18.66901 
1 1 1 7  1  88  o 83.01049 11.98617 0.5011117      0.1334089     0.4572284      0.1905308     0.5433204      0.1868600     76.97350 18.21064 84.73148 16.56473 -7.757980      24.61742 
1 1 1 7  1  89  f 72.86342 13.30002 0.3941113      0.1288827     0.4916329      0.1851783     0.3024888      0.1794901     79.95636 17.27692 62.62372 19.05494 17.33264       25.72125 
1 1 1 7  1  90  o 92.13648 11.84428 0.6191344      0.1471986     0.7214662      0.2108294     0.5218073      0.2056093     97.46752 16.23629 81.43199 18.68243 16.03553       24.75177 
1 1 1 7  1  91  o 95.97517 11.51901 0.6718260      0.1496056     0.8110966      0.2146219     0.5401944      0.2086530     103.5084 15.49255 82.45413 18.75008 21.05431       24.32251 
1 1 1 7  1  92  o 57.26109 15.31444 0.2541199      0.1234422     0.2418931      0.1787229     0.2652737      0.1707006     56.26351 19.18737 58.20670 18.71327 -1.943192      26.80190 
1 1 1 7  1  93  o 167.3040 9.622714 2.008167       0.2213645     1.722017       0.3129215     2.294811       0.3131920     150.6798 15.24979 176.2447 12.96027 -25.56488      20.01311 
1 1 1 7  1  94  o 109.7353 11.11064 0.8810640      0.1660337     0.7985182      0.2357091     0.9623582      0.2339154     100.3302 17.65889 111.8686 15.56474 -11.53835      23.53928 
1 1 1 7  1  95  o 120.5177 12.46061 1.078774       0.2043672     0.8004174      0.2834760     1.380017       0.2949000     96.95696 21.71367 133.2390 16.37353 -36.28204      27.19515 
1 1 1 7  1  96  o 73.72279 17.10717 0.4375340      0.1707852     0.1104699      0.2764774     0.6393370      0.2171736     51.43179 21.97370 88.67654 18.34147 -37.24475      28.62260 
1 1 1 7  1  97  o 71.69366 15.21341 0.4037272      0.1459449     0.4042240      0.1953086     0.4030989      0.2196179     69.38046 19.54943 68.54169 21.11853 0.8387756      28.77798 
1 1 1 7  1  98  o 136.3535 10.28558 1.352959       0.1922313     1.290730       0.2726521     1.414467       0.2710671     129.0104 15.62401 135.9613 14.67102 -6.950928      21.43242 
1 1 1 7  1  99  o 106.5344 11.57842 0.8399839      0.1675822     0.5157964      0.2372608     1.162733       0.2367341     77.04189 21.49040 123.6104 14.12326 -46.56847      25.71583 
1 1 1 7  1  100 o 213.4702 9.384418 3.273528       0.2766194     3.171016       0.3922514     3.374947       0.3901547     205.0011 13.93984 212.2133 13.38310 -7.212204      19.32425 
1 1 1 7  1  101 f 184.6451 9.847172 2.465446       0.2501591     2.157725       0.3533984     2.774494       0.3541595     167.2781 15.47523 192.2532 13.42525 -24.97513      20.48707 
1 1 1 7  1  102 o 243.4053 9.397999 4.262408       0.3158664     4.035816       0.4470977     4.488201       0.4463086     230.7921 14.09714 244.6592 13.26052 -13.86710      19.35383 
1 1 1 7  1  103 o 225.3852 10.93733 3.717883       0.3403884     3.834369       0.4849279     3.604743       0.4779124     221.5598 15.95754 214.3138 16.27100 7.245972       22.79010 
1 1 1 7  1  104 o 183.6585 12.31553 2.529554       0.3105132     2.672603       0.4906018     2.433953       0.4010685     177.2379 20.41972 174.2719 16.87835 2.966019       26.49233 
1 1 1 7  1  105 o 112.5555 12.85903 0.9712057      0.1962670     0.9352530      0.2757818     1.008103       0.2793801     103.6606 19.99154 108.3797 19.37987 -4.719032      27.84315 
1 1 1 7  1  106 o 95.30930 11.63353 0.6934991      0.1499259     0.4242329      0.2112338     0.9668494      0.2128296     67.24160 20.71043 110.1625 14.33069 -42.92088      25.18513 
1 1 1 7  1  107 o 61.08112 14.68890 0.3116873      0.1223703     0.3246248      0.1732459     0.2988059      0.1728702     59.22947 18.83235 56.92036 18.86672 2.309109       26.65728 
1 1 1 7  1  108 o 92.43503 11.92601 0.6750509      0.1486692     0.6822887      0.2116800     0.6680053      0.2088484     85.94212 18.39311 85.09965 18.31569 0.8424759      25.95710 
1 1 1 7  1  109 o 71.88245 13.84475 0.4392740      0.1324336     0.4354751      0.1897931     0.4428788      0.1848822     64.74806 19.57035 65.93269 19.16375 -1.184624      27.39065 
1 1 1 7  1  110 o 39.41422 14.81621 0.1366534      0.1094392     0.2466338E-01  0.1572826     0.2417634      0.1523748     33.98381 15.42793 48.14364 17.59363 -14.15983      23.39993 
1 1 1 7  1  111 o 38.06244 14.63703 0.1369692      0.1083004     0.2103342      0.1571606     0.7062645E-01  0.1494499     43.19308 17.31615 34.43283 15.38388 8.760250       23.16274 
1 1 1 7  1  112 o 45.88543 15.54706 0.2427412      0.1173324     0.1932082      0.1690124     0.2888218      0.1630163     38.84040 16.89034 45.27942 17.80182 -6.439014      24.53952 
1 1 1 7  1  113 o 33.98522 14.64443 0.1467110      0.1247450     0.2380811      0.1817027     0.6525159E-01  0.1715656     36.89885 16.68320 30.33709 14.50567 6.561760       22.10755 
1 1 1 7  1  114 o 25.53537 12.42984 0.1667136E-01  0.1404079     -0.2608998     0.2047990     0.2628508      0.1928709     22.86079 11.64480 32.85234 15.61592 -9.991552      19.47969 
1 1 1 7  1  115 o 25.20452 12.37541 0.1036850      0.1483895     0.1133029      0.2152115     0.9496845E-01  0.2048784     25.06422 12.67843 24.83077 12.53765 0.2334442      17.83074 
1 1 1 7  1  116 o 23.88387 11.96338 0.2559051      0.1679603     0.1692337      0.2422619     0.3361233      0.2330684     21.59317 11.10327 23.07270 11.80774 -1.479527      16.20819 
1 1 1 7  1  117 o 14.84056 7.631083 -0.1486890     0.1144479     -0.2450653     0.1711408     -0.7072110E-01 0.1539312     15.49205 8.024833 16.36707 8.436836 -0.8750229     11.64380 
1 1 1 7  1  118 o 15.13720 7.822403 0.1092353      0.1499546     0.3131176      0.2190205     -0.7066725E-01 0.2057377     15.52199 8.063922 14.33197 7.451667 1.190019       10.97972 
1 1 1 7  1  119 o 12.92218 6.712367 0.1121753      0.1496524     0.1565699      0.2187576     0.7312226E-01  0.2051757     12.81857 6.673962 12.67316 6.597533 0.1454105      9.384520 
1 1 1 7  1  120 o 11.05032 5.749184 -0.1278808E-02 0.1351246     -0.1958844E-01 0.1981879     0.1462567E-01  0.1847129     11.05938 5.759782 11.10989 5.785621 -0.5051041E-01 8.163853 
1 1 1 7  1  121 o 9.491429 4.942551 -0.2662745E-01 0.1720353     -0.1777371     0.2645134     0.8415111E-01  0.2264798     9.445259 4.910021 9.598081 4.994347 -0.1528215     7.003700 
1 1 1 7  1  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  128 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  0   o 222.0280 16.15906 3.469182       0.4893760     3.528061       0.6948122     3.411220       0.6893840     221.6872 23.28604 217.7444 23.63434 0.000000       0.000000 
1 1 1 7  2  1   o 295.9344 13.07592 6.074873       0.5343254     5.634099       0.6498697     6.994594       0.9387418     284.1097 16.63799 315.5437 21.67657 -31.43405      27.32575 
1 1 1 7  2  2   o 222.8811 11.24272 3.450327       0.3448896     3.379914       0.3977747     3.663577       0.6922362     220.3471 13.13313 227.7529 22.29765 -7.405792      25.87787 
1 1 1 7  2  3   o 281.6282 11.23460 5.495179       0.4368896     5.243031       0.5021600     6.280404       0.8861579     274.9053 13.22882 298.9211 21.61496 -24.01584      25.34183 
1 1 1 7  2  4   o 180.7954 11.18872 2.273261       0.2779496     2.277541       0.3209815     2.260432       0.5557280     180.7446 12.94681 178.1884 23.13201 2.556198       26.50867 
1 1 1 7  2  5   o 434.6198 11.65593 13.09179       0.6995106     13.12027       0.8063104     13.00513       1.406451      434.8188 13.42938 429.9490 23.78268 4.869812       27.31235 
1 1 1 7  2  6   o 167.4316 11.24469 1.951163       0.2584612     2.138430       0.2980667     1.383606       0.5189048     175.1713 12.40308 137.6016 28.25631 37.56975       30.85863 
1 1 1 7  2  7   o 176.6809 11.22145 2.171758       0.2723442     2.105917       0.3130707     2.376589       0.5521919     173.7215 13.14862 182.9104 22.32659 -9.188873      25.91067 
1 1 1 7  2  8   o 348.7229 13.22934 8.439645       0.6370254     8.268928       0.7783201     8.786064       1.108717      344.7071 16.35197 353.2965 22.84945 -8.589417      28.09776 
1 1 1 7  2  9   o 220.0280 11.28285 3.364063       0.3416423     3.458607       0.4815578     3.268254       0.4847684     222.4329 15.78119 216.0917 16.36793 6.341171       22.73664 
1 1 1 7  2  10  o 226.3983 11.17910 3.552456       0.3494767     3.399217       0.4947341     3.705078       0.4937368     220.3847 16.37444 230.2714 15.62046 -9.886719      22.63009 
1 1 1 7  2  11  o 459.9318 16.62278 14.73208       1.055687      15.70790       1.524552      13.83314       1.463266      472.9373 23.34537 442.9907 24.01130 29.94653       33.48953 
1 1 1 7  2  12  o 120.9991 13.27514 1.028589       0.2181556     1.467833       0.3813021     0.8148414      0.2659912     143.6109 19.75119 106.5098 18.77177 37.10108       27.24865 
1 1 1 7  2  13  o 71.28983 12.21140 0.3624411      0.1158833     0.4608178      0.1343472     0.7650395E-01  0.2290432     80.55704 12.48152 51.19495 20.77000 29.36209       24.23183 
1 1 1 7  2  14  o 98.96075 11.53161 0.6882915      0.1546213     0.6864988      0.1784534     0.6936911      0.3097005     98.51459 13.47160 97.42710 23.32964 1.087486       26.93986 
1 1 1 7  2  15  o 192.8993 11.25834 2.589152       0.2985742     2.237514       0.4198932     2.948788       0.4246421     178.2823 17.27325 205.3055 15.08469 -27.02324      22.93279 
1 1 1 7  2  16  o 323.2893 10.18928 7.243217       0.4548547     7.446595       0.7217340     7.109216       0.5858413     326.8964 15.98929 319.8662 13.26397 7.030182       20.77475 
1 1 1 7  2  17  o 321.4530 10.18300 7.162064       0.4519927     6.958214       0.7142544     7.298224       0.5837428     315.4408 16.45526 324.0899 13.04422 -8.649078      20.99827 
1 1 1 7  2  18  o 140.4363 9.255123 1.372138       0.1784671     0.9757546      0.2513561     1.775116       0.2534381     117.2531 15.93784 159.5099 11.58567 -42.25674      19.70387 
1 1 1 7  2  19  o 252.1542 9.210252 4.404826       0.3206829     4.323108       0.4540184     4.486183       0.4530115     249.0037 13.25244 253.7204 12.97390 -4.716751      18.54587 
1 1 1 7  2  20  o 162.3694 10.08730 1.834873       0.2250422     1.857767       0.3589131     1.820042       0.2888820     162.3656 16.22602 161.2680 13.08565 1.097610       20.84509 
1 1 1 7  2  21  o 284.8830 10.16340 5.628169       0.3998006     5.191526       0.6334455     5.917272       0.5154334     272.0329 16.94778 291.7307 12.79536 -19.69785      21.23554 
1 1 1 7  2  22  o 397.9012 9.468841 10.97487       0.5202475     11.01376       0.7386922     10.93660       0.7328252     397.7970 13.44820 396.4153 13.38789 1.381744       18.97602 
1 1 1 7  2  23  o 228.8267 9.180077 3.629312       0.2900620     3.511923       0.4109918     3.745813       0.4094321     224.2227 13.33454 231.6881 12.84829 -7.465393      18.51724 
1 1 1 7  2  24  o 166.7500 8.570896 1.931557       0.1966796     1.603132       0.2593086     2.376420       0.3017947     151.3033 12.52429 184.5213 11.90835 -33.21805      17.28197 
1 1 1 7  2  25  o 348.0332 8.126298 8.390540       0.3905273     8.524092       0.5536737     8.258318       0.5509148     350.2214 11.44915 344.6934 11.57480 5.527954       16.28063 
1 1 1 7  2  26  o 179.1286 7.964273 2.222791       0.1969923     2.258171       0.2785972     2.187415       0.2785811     179.9002 11.27212 177.0179 11.45862 2.882324       16.07360 
1 1 1 7  2  27  o 192.1674 7.908301 2.558533       0.2098461     2.549784       0.2964038     2.567325       0.2971320     191.1671 11.27874 191.8281 11.26705 -0.6610107     15.94228 
1 1 1 7  2  28  o 156.4338 8.024854 1.700351       0.1727594     1.886946       0.2447257     1.514991       0.2439137     164.4022 10.84123 147.0114 12.12379 17.39088       16.26403 
1 1 1 7  2  29  o 307.5716 8.019579 6.557425       0.3405930     6.475133       0.4801544     6.640767       0.4832025     305.0161 11.40040 308.9082 11.32822 -3.892181      16.07164 
1 1 1 7  2  30  o 124.0073 8.038245 1.070617       0.1368992     1.175996       0.1937715     0.9656006      0.1934384     129.5541 10.93396 117.0871 12.14101 12.46709       16.33878 
1 1 1 7  2  31  o 172.3320 8.460257 2.060480       0.2013202     2.115839       0.2662724     1.986605       0.3075975     173.9727 11.14284 168.0912 13.36285 5.881485       17.39910 
1 1 1 7  2  32  f 209.4380 8.498401 3.043983       0.2457710     3.218921       0.3255562     2.812167       0.3747598     214.7249 11.01717 200.0546 13.64794 14.67038       17.53979 
1 1 1 7  2  33  o 160.4840 8.526908 1.792640       0.1882782     1.884888       0.2880270     1.723812       0.2487922     163.7543 12.84096 156.8271 11.57059 6.927216       17.28493 
1 1 1 7  2  34  o 289.4576 9.295668 5.823048       0.3715383     6.118104       0.6443129     5.676061       0.4547611     294.4312 15.90704 285.2714 11.54482 9.159821       19.65494 
1 1 1 7  2  35  o 179.9702 9.305999 2.257605       0.2304697     2.760583       0.3284539     1.769775       0.3234698     198.4588 12.04273 158.0130 15.00532 40.44582       19.24024 
1 1 1 7  2  36  o 436.6146 8.860579 13.24739       0.5341931     13.03587       0.7035657     13.53531       0.8208491     432.0351 11.79363 439.4413 13.52771 -7.406158      17.94683 
1 1 1 7  2  37  o 232.8293 7.997276 3.763128       0.2571093     4.041050       0.3648832     3.489059       0.3623448     240.6962 10.97859 223.1778 11.79992 17.51843       16.11731 
1 1 1 7  2  38  o 161.9438 7.977840 1.820764       0.1783970     1.681546       0.2514988     1.961750       0.2530917     154.6734 11.86605 167.3261 11.01569 -12.65274      16.19100 
1 1 1 7  2  39  o 155.9914 8.034638 1.694182       0.1724755     1.726132       0.2438236     1.662183       0.2440109     156.8180 11.33646 153.8162 11.57348 3.001785       16.20064 
1 1 1 7  2  40  o 291.8762 8.591155 5.921657       0.3462487     5.906011       0.4584262     5.942435       0.5283169     290.7400 11.41896 291.0750 13.14473 -0.3350525     17.41197 
1 1 1 7  2  41  o 216.4970 9.202644 3.261268       0.2751076     3.285148       0.3895579     3.237509       0.3885658     216.0490 13.12027 214.4506 13.18588 1.598404       18.60132 
1 1 1 7  2  42  o 156.0341 9.330836 1.700202       0.2001163     1.996842       0.3485907     1.554387       0.2444005     167.6537 15.22388 148.6031 12.01342 19.05066       19.39301 
1 1 1 7  2  43  o 180.9289 8.605841 2.275140       0.2150003     2.472004       0.3297451     2.129555       0.2835661     187.4224 12.81839 174.1386 11.86360 13.28378       17.46586 
1 1 1 7  2  44  o 365.1421 8.735709 9.267203       0.4404514     9.198390       0.5811662     9.360066       0.6751252     362.8583 11.59913 365.3234 13.38347 -2.465057      17.71037 
1 1 1 7  2  45  o 193.1290 8.002955 2.589483       0.2134204     2.556617       0.3011983     2.622622       0.3024496     191.0111 11.47291 193.4939 11.37000 -2.482803      16.15254 
1 1 1 7  2  46  o 196.2302 8.004382 2.673117       0.2168861     2.674113       0.3064758     2.672119       0.3069712     195.3955 11.40868 195.3171 11.43186 0.7839966E-01  16.15071 
1 1 1 7  2  47  o 274.1098 8.059348 5.215903       0.3050440     5.029582       0.4296308     5.405321       0.4331860     268.3890 11.59292 278.3188 11.27182 -9.929749      16.16940 
1 1 1 7  2  48  o 208.0835 8.020284 3.005202       0.2304439     2.896147       0.3250006     3.115467       0.3268007     203.3653 11.62185 211.0388 11.25521 -7.673523      16.17860 
1 1 1 7  2  49  o 129.3716 8.264303 1.166528       0.1468621     1.212061       0.2076630     1.120966       0.2077257     131.3005 11.57226 126.1280 12.07483 5.172455       16.72479 
1 1 1 7  2  50  o 204.6818 8.036493 2.907203       0.2271349     2.935335       0.3212822     2.879093       0.3211523     204.8361 11.40427 202.8329 11.51406 2.003128       16.20589 
1 1 1 7  2  51  o 244.5813 8.052546 4.150917       0.2719533     3.980273       0.3833886     4.323736       0.3858232     238.8510 11.62450 249.0319 11.22006 -10.18094      16.15608 
1 1 1 7  2  52  o 152.9474 8.180732 1.628019       0.1721454     1.661360       0.2433898     1.594644       0.2435110     153.9121 11.53619 150.7198 11.79472 3.192291       16.49846 
1 1 1 7  2  53  o 240.7094 8.636368 4.023349       0.2870531     4.017608       0.3795165     4.031024       0.4388188     240.0174 11.45117 239.6421 13.31370 0.3752747      17.56086 
1 1 1 7  2  54  o 170.8739 10.37152 2.039841       0.2435547     2.023369       0.3841979     2.050908       0.3149182     168.6115 16.72229 170.6541 13.47380 -2.042633      21.47506 
1 1 1 7  2  55  o 226.9891 9.352765 3.581423       0.2931454     3.537044       0.5070711     3.603702       0.3592664     223.4052 16.55539 227.0213 11.49823 -3.616058      20.15664 
1 1 1 7  2  56  o 269.7673 8.665341 5.054100       0.3227848     4.950114       0.4268256     5.193019       0.4933372     266.3580 11.60504 272.4196 13.11498 -6.061584      17.51227 
1 1 1 7  2  57  o 105.3183 8.559990 0.7752724      0.1234073     0.8377800      0.1744122     0.7126039      0.1746365     108.9405 11.78211 100.1325 12.93279 8.808060       17.49501 
1 1 1 7  2  58  o 249.2812 8.110049 4.313495       0.2791586     4.230630       0.3946600     4.396469       0.3949199     246.1815 11.60993 251.0109 11.39406 -4.829407      16.26699 
1 1 1 7  2  59  o 150.4034 8.265297 1.575546       0.1709955     1.643037       0.2423171     1.508600       0.2413343     152.9766 11.55679 146.4414 12.04153 6.535172       16.69006 
1 1 1 7  2  60  o 146.8655 8.333612 1.503152       0.1683055     1.490867       0.2383563     1.515368       0.2376850     145.5478 11.96591 146.7788 11.82774 -1.230942      16.82494 
1 1 1 7  2  61  o 174.8517 8.818768 2.131243       0.2122335     2.313156       0.2824119     1.895198       0.3216980     181.6307 11.31669 163.5286 14.39345 18.10208       18.30953 
1 1 1 7  2  62  o 270.6950 9.426379 5.102217       0.3523410     5.070039       0.4985877     5.134318       0.4979837     268.3295 13.49972 270.4015 13.33730 -2.071991      18.97699 
1 1 1 7  2  63  f 170.2204 9.568265 2.025016       0.2239843     2.351447       0.3903946     1.864835       0.2734722     181.6862 15.71599 162.6858 12.26397 19.00041       19.93482 
1 1 1 7  2  64  o 197.7553 9.534995 2.725818       0.2603674     2.730830       0.3680527     2.720797       0.3683779     196.5199 13.64794 196.1432 13.68716 0.3766937      19.32885 
1 1 1 7  2  65  o 128.1452 9.182734 1.149973       0.1614075     1.194528       0.2134654     1.090492       0.2466412     129.9743 12.03056 123.3879 14.76976 6.586372       19.04942 
1 1 1 7  2  66  o 249.0968 8.225260 4.317430       0.2829149     4.253383       0.3999899     4.381549       0.4002144     246.2462 11.76363 249.9850 11.59420 -3.738739      16.51692 
1 1 1 7  2  67  o 178.0150 8.292661 2.205826       0.2038396     2.179016       0.2886482     2.232497       0.2878985     175.7729 11.96384 177.9825 11.78114 -2.209610      16.79073 
1 1 1 7  2  68  o 153.3812 8.442417 1.643263       0.1781155     1.705914       0.2526250     1.581333       0.2511679     155.4263 11.86055 149.4917 12.27612 5.934616       17.06973 
1 1 1 7  2  69  o 138.2249 8.560956 1.336155       0.1625938     1.234219       0.2300171     1.437959       0.2298677     131.7771 12.80263 142.6248 11.77735 -10.84770      17.39578 
1 1 1 7  2  70  o 85.37926 9.494473 0.5150840      0.1100381     0.3928694      0.1560341     0.6360013      0.1552039     72.93527 15.93857 94.35452 12.19805 -21.41925      20.07064 
1 1 1 7  2  71  o 108.8210 9.022886 0.8316209      0.1343572     0.7522114      0.1901480     0.9107999      0.1898719     102.2775 13.81770 113.1210 12.35666 -10.84344      18.53688 
1 1 1 7  2  72  f 107.9324 9.119071 0.8186007      0.1346345     0.6929403      0.1903470     0.9444060      0.1904568     97.87402 14.52517 115.2512 12.15089 -17.37714      18.93739 
1 1 1 7  2  73  o 171.3618 8.510714 2.046853       0.2013807     1.966143       0.2844217     2.127987       0.2851705     166.6133 12.45278 173.5308 11.97445 -6.917480      17.27597 
1 1 1 7  2  74  o 171.2015 9.185506 2.052306       0.2163517     1.987523       0.2852587     2.140037       0.3319588     167.5015 12.42189 173.2632 13.99467 -5.761719      18.71240 
1 1 1 7  2  75  o 194.9598 9.856042 2.665664       0.2644685     2.832367       0.4604053     2.583570       0.3230911     198.0153 17.00345 191.0972 12.30975 6.918030       20.99160 
1 1 1 7  2  76  o 121.8625 10.55854 1.048585       0.1759133     0.9185393      0.2538799     1.168680       0.2439737     112.0286 16.94098 127.6510 14.07545 -15.62238      22.02533 
1 1 1 7  2  77  o 69.17323 12.06682 0.3463024      0.1110656     0.3152143      0.1504819     0.3835009      0.1646077     65.08916 16.66998 71.73848 16.89602 -6.649323      23.73528 
1 1 1 7  2  78  o 119.2461 9.415502 1.000060       0.1537724     1.162702       0.2179520     0.8388574      0.2169852     127.7861 12.51260 107.5812 15.01618 20.20491       19.54612 
1 1 1 7  2  79  o 95.21499 10.09741 0.6419058      0.1307298     0.6858386      0.1853414     0.5984080      0.1844216     97.33149 14.20932 90.45772 15.31111 6.873772       20.88862 
1 1 1 7  2  80  o 85.52045 10.63839 0.5208316      0.1229121     0.4830901      0.1743777     0.5580975      0.1732755     80.79362 16.19459 87.38860 14.89370 -6.594978      22.00198 
1 1 1 7  2  81  o 77.08070 11.47341 0.4269589      0.1183941     0.5532851      0.1688992     0.3049213      0.1660074     87.06097 14.56413 63.94854 18.02501 23.11243       23.17358 
1 1 1 7  2  82  o 82.19822 11.98466 0.4863435      0.1320259     0.5169731      0.1769160     0.4478461      0.1983409     83.62640 15.90214 76.95248 18.82167 6.673920       24.64007 
1 1 1 7  2  83  o 87.91814 14.14877 0.5638819      0.1659380     0.8290036      0.2620019     0.3863020      0.2144267     105.2185 18.71931 71.33450 20.61073 33.88399       27.84268 
1 1 1 7  2  84  o 96.49678 13.44255 0.6749922      0.1742507     0.4289613      0.2664903     0.8587465      0.2303061     74.81660 23.29828 108.1187 15.90147 -33.30207      28.20756 
1 1 1 7  2  85  o 119.3477 10.73588 1.012851       0.1750318     1.038282       0.2310850     0.9786271      0.2680791     119.5513 14.28111 114.6416 17.48864 4.909622       22.57881 
1 1 1 7  2  86  o 149.1890 9.383876 1.571621       0.1923262     1.729313       0.2742303     1.418978       0.2698043     155.0172 12.92940 139.7443 14.17856 15.27287       19.18856 
1 1 1 7  2  87  o 119.3499 10.11588 1.014097       0.1651422     1.089520       0.2360518     0.9417933      0.2311189     121.9790 14.28526 112.8757 15.21623 9.103256       20.87108 
1 1 1 7  2  88  o 118.6936 10.25382 1.006456       0.1664047     1.059048       0.2380873     0.9562294      0.2326697     119.7349 14.70989 113.4337 15.24009 6.301140       21.18115 
1 1 1 7  2  89  o 74.93789 13.37323 0.4184073      0.1333047     0.4333006      0.1907229     0.4041823      0.1863943     74.15417 18.64562 71.61096 18.66140 2.543205       26.38004 
1 1 1 7  2  90  o 68.73171 13.94900 0.3573806      0.1278612     0.1902254      0.1824785     0.5186048      0.1792120     52.50306 19.24317 81.98018 16.40410 -29.47712      25.28625 
1 1 1 7  2  91  o 81.77045 12.67376 0.4974161      0.1384692     0.6445322      0.1987829     0.3587421      0.1929953     91.31930 16.36557 66.59066 19.64436 24.72864       25.56820 
1 1 1 7  2  92  o 54.92934 15.46182 0.2347531      0.1222373     0.1250865      0.1745279     0.3403485      0.1712577     46.67903 18.39809 64.98729 18.30433 -18.30826      25.95261 
1 1 1 7  2  93  o 104.4674 12.12356 0.8073143      0.1716321     0.8163689      0.2275642     0.7953683      0.2613839     102.1734 16.70736 98.49411 19.90377 3.679268       25.98645 
1 1 1 7  2  94  o 43.62879 16.77205 0.1171643      0.1421698     0.2372953      0.2310790     0.4399569E-01  0.1803414     56.60516 21.47198 41.65425 17.77033 14.95091       27.87168 
1 1 1 7  2  95  o 85.84948 15.99517 0.5789982      0.1826349     0.4804576      0.2963099     0.6393697      0.2319289     72.94913 24.70661 87.75689 19.63100 -14.80776      31.55618 
1 1 1 7  2  96  o 90.80057 13.07563 0.6228115      0.1592142     0.4805523      0.2110534     0.8106871      0.2425422     75.44938 19.95247 100.1099 18.21687 -24.66055      27.01769 
1 1 1 7  2  97  o 57.86935 15.50267 0.2658829      0.1263712     0.2172315      0.1755505     0.3182086      0.1820589     53.15701 18.95547 61.93428 19.25217 -8.777267      27.01769 
1 1 1 7  2  98  o 137.9949 10.30620 1.385825       0.1949638     1.407902       0.2752252     1.363589       0.2762185     135.3777 14.97396 132.8956 15.33373 2.482071       21.43229 
1 1 1 7  2  99  o 103.5317 11.56642 0.7932554      0.1625265     0.6268644      0.2291132     0.9617958      0.2305882     86.67667 19.60225 111.4108 15.40079 -24.73414      24.92855 
1 1 1 7  2  100 o 172.3996 9.815206 2.149066       0.2326876     2.261123       0.3295216     2.037622       0.3286203     173.0062 13.91142 163.3544 14.72721 9.651779       20.25879 
1 1 1 7  2  101 o 174.9888 9.893292 2.217858       0.2380709     2.475279       0.3390583     1.967526       0.3343571     181.1530 13.65512 159.6598 15.35560 21.49326       20.54889 
1 1 1 7  2  102 o 173.0006 10.63385 2.188961       0.2527942     2.473774       0.3385106     1.829858       0.3801034     180.7269 13.66572 149.6346 18.81218 31.09224       23.25188 
1 1 1 7  2  103 o 125.0165 12.38866 1.175890       0.2110445     1.097033       0.3571244     1.218208       0.2616131     108.8196 24.37262 124.4312 15.56687 -15.61157      28.91975 
1 1 1 7  2  104 o 77.66247 15.55774 0.4869285      0.1610231     0.7058085      0.2250539     0.2573558      0.2304854     91.36577 18.47379 55.84066 21.38155 35.52511       28.25689 
1 1 1 7  2  105 o 69.73219 14.23020 0.3909960      0.1323806     0.5208393      0.1859840     0.2576588      0.1884696     77.92413 17.68932 54.50438 19.61880 23.41975       26.41608 
1 1 1 7  2  106 o 69.14700 14.31845 0.3915868      0.1322122     0.3689850      0.1871336     0.4141127      0.1868192     62.83238 19.51655 66.91568 19.21049 -4.083298      27.38501 
1 1 1 7  2  107 o 34.81329 14.10779 0.6940129E-01  0.1055432     0.1859110      0.1494975     -0.4637317E-01 0.1490250     46.61626 17.35723 31.79974 14.65310 14.81652       22.71534 
1 1 1 7  2  108 f 47.72906 15.20752 0.2027260      0.1129267     0.1951733      0.1612032     0.2100039      0.1582428     46.30278 17.84352 47.48197 17.82253 -1.179184      25.21971 
1 1 1 7  2  109 o 40.31623 14.88652 0.1425698      0.1095125     0.1100381      0.1572375     0.1732165      0.1526143     38.96257 16.60680 43.14251 17.14066 -4.179939      23.86604 
1 1 1 7  2  110 o 25.84686 11.80060 -0.1354615E-01 0.9368728E-01 -0.2035209E-01 0.1342663     -0.7088111E-02 0.1307897     29.41851 13.67794 29.75003 13.71531 -0.3315201     19.36997 
1 1 1 7  2  111 o 35.63069 14.28440 0.1237485      0.1069462     0.1856939      0.1534236     0.6520111E-01  0.1491561     39.64676 16.62632 32.82913 14.95006 6.817631       22.35931 
1 1 1 7  2  112 o 50.15130 16.42818 0.3300309      0.1312132     0.2853919      0.1755108     0.3865952      0.1975685     40.99765 17.51147 44.82143 18.83546 -3.823780      25.71821 
1 1 1 7  2  113 o 26.14555 12.42484 0.2988882E-01  0.1219512     -0.2581522E-01 0.2014614     0.6210541E-01  0.1532104     26.94245 13.43499 28.09234 13.50472 -1.149883      19.04931 
1 1 1 7  2  114 o 24.59863 12.06668 0.4724038E-01  0.1400448     0.7798458E-01  0.2064308     0.2102545E-01  0.1906194     25.64449 12.90237 24.64150 12.39783 1.002985       17.89350 
1 1 1 7  2  115 o 18.81045 9.499358 -0.6710994E-01 0.1178891     -0.8632569E-02 0.1734673     -0.1172986     0.1607039     20.90001 10.65241 19.37278 9.905563 1.527224       14.54627 
1 1 1 7  2  116 o 18.91291 9.639169 0.9368077E-01  0.1418985     0.5728738E-01  0.2082949     0.1251963      0.1938340     18.38227 9.489430 18.88141 9.720095 -0.4991398     13.58416 
1 1 1 7  2  117 o 15.59795 8.040419 0.5828193E-01  0.1398356     0.2185662      0.2041261     -0.8345051E-01 0.1919498     16.15641 8.379961 14.92698 7.750910 1.229432       11.41492 
1 1 1 7  2  118 o 12.70315 6.588964 -0.4590707E-01 0.1263948     0.7960785E-02  0.1860794     -0.9205071E-01 0.1722223     13.06939 6.798897 12.74665 6.629846 0.3227329      9.496307 
1 1 1 7  2  119 o 11.81852 6.146498 0.1214180      0.1453638     0.7339367E-01  0.2110182     0.1647885      0.2005332     11.57143 6.026229 11.73666 6.111565 -0.1652250     8.582929 
1 1 1 7  2  120 o 10.21345 5.319024 0.1155407      0.1645047     0.1057957      0.2078606     0.1318759      0.2691172     10.14157 5.280703 10.12258 5.265707 0.1898670E-01  7.457445 
1 1 1 7  2  121 f 7.786512 4.055029 -0.3198358     0.1084394     0.000000       0.000000      -0.3198358     0.1084394     ?        ?        7.786512 4.055029 0.000000       4.055029 
1 1 1 7  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  127 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  0   o 78.53683 28.23402 0.5690169      0.2802144     0.000000       0.000000      0.5690169      0.2802144     78.53683 28.23402 78.53683 28.23402 0.000000       0.000000 
1 1 1 7  3  1   o 250.6555 16.06647 4.396652       0.5531499     4.489988       0.7843469     4.304296       0.7802136     251.6257 22.82265 246.2115 23.22353 5.414185       32.56080 
1 1 1 7  3  2   o 163.7568 13.08807 1.874892       0.2934735     1.888202       0.3594087     1.848262       0.5083714     163.8220 16.09617 160.3420 23.67327 3.479996       28.62709 
1 1 1 7  3  3   o 196.9301 15.96288 2.720254       0.4303367     2.720254       0.4303367     0.000000       0.000000      196.9301 15.96288 ?        ?        0.000000       15.96288 
1 1 1 7  3  4   o 151.9876 16.01914 1.627608       0.3311273     1.627608       0.3311273     0.000000       0.000000      151.9876 16.01914 ?        ?        0.000000       16.01914 
1 1 1 7  3  5   o 203.4792 12.95854 2.888318       0.3621994     2.888318       0.3621994     0.000000       0.000000      203.4792 12.95854 ?        ?        0.000000       12.95854 
1 1 1 7  3  6   o 111.6777 13.14850 0.8785645      0.1988749     0.8785645      0.1988749     0.000000       0.000000      111.6777 13.14850 ?        ?        0.000000       13.14850 
1 1 1 7  3  7   o 107.8672 11.40671 0.8163207      0.1673204     0.8155863      0.1924400     0.8185961      0.3387126     107.5227 13.24136 105.7013 23.78195 1.821381       27.21975 
1 1 1 7  3  8   o 192.6123 13.02847 2.590245       0.3444720     2.448020       0.4197715     2.883510       0.6027749     186.5957 16.46065 201.2962 22.04666 -14.70055      27.51378 
1 1 1 7  3  9   o 408.0656 13.43043 11.58006       0.7567593     11.94218       0.9298130     10.86952       1.302448      413.6981 16.27699 391.4909 24.21239 22.20721       29.17499 
1 1 1 7  3  10  f 149.9861 11.29206 1.569939       0.2321476     1.435193       0.3261344     1.708335       0.3305221     142.3817 16.91961 155.7771 15.57466 -13.39540      22.99660 
1 1 1 7  3  11  o 130.0433 11.32062 1.182537       0.2012527     1.275447       0.2848268     1.089903       0.2844025     134.3566 15.64566 123.7688 17.09775 10.58786       23.17584 
1 1 1 7  3  12  o 374.3992 11.51454 9.732222       0.5952776     10.08172       0.8469044     9.390945       0.8368844     380.0396 16.13866 366.6910 16.52826 13.34854       23.10065 
1 1 1 7  3  13  o 295.3433 11.35302 6.055767       0.4629954     6.303624       0.6576765     5.812237       0.6519103     300.1168 15.92727 288.0151 16.46041 12.10172       22.90465 
1 1 1 7  3  14  o 109.5474 11.50075 0.8423871      0.1713706     0.7562352      0.2415794     0.9296538      0.2431372     102.5480 17.70033 114.3608 15.82074 -11.81280      23.74021 
1 1 1 7  3  15  o 98.53257 11.61202 0.6835532      0.1549547     0.6786241      0.2187538     0.6885173      0.2195264     97.16074 16.92003 97.90094 16.84669 -0.7401962     23.87674 
1 1 1 7  3  16  o 181.2928 11.34900 2.291583       0.2826720     2.227738       0.3990923     2.355856       0.4004280     177.7826 16.44348 182.9581 16.01139 -5.175537      22.95109 
1 1 1 7  3  17  f 244.8394 11.30551 4.163941       0.3822166     4.149395       0.5396972     4.178578       0.5413785     243.1287 16.16810 243.9869 16.16079 -0.8582001     22.85998 
1 1 1 7  3  18  o 93.21664 11.74212 0.6133281      0.1477859     0.6574701      0.2087738     0.5689935      0.2092288     95.66142 16.39520 88.58574 17.72371 7.075684       24.14400 
1 1 1 7  3  19  o 130.6750 10.20736 1.192284       0.1827186     1.278697       0.2890461     1.134770       0.2358113     134.3327 15.89077 126.8879 13.67485 7.444733       20.96469 
1 1 1 7  3  20  o 259.3183 9.263390 4.663827       0.3316967     4.471641       0.4676503     4.858400       0.4705430     252.9420 13.43764 264.1117 12.90250 -11.16965      18.62913 
1 1 1 7  3  21  f 99.62797 9.477012 0.6948273      0.1288032     0.6734950      0.1819260     0.7162675      0.1823854     97.28971 13.94068 100.4805 13.48565 -3.190826      19.39601 
1 1 1 7  3  22  o 145.2100 9.243966 1.468814       0.1843859     1.508405       0.2613015     1.429549       0.2602239     146.5284 13.05128 142.5529 13.37649 3.975449       18.68866 
1 1 1 7  3  23  o 79.72704 9.615145 0.4475713      0.1037158     0.5094686      0.1466108     0.3855633      0.1467418     84.52893 12.97554 72.93166 15.06978 11.59727       19.88625 
1 1 1 7  3  24  o 105.3877 9.377498 0.7770290      0.1350372     0.8235295      0.1911834     0.7307342      0.1907601     107.8705 13.10454 101.3358 14.00737 6.534622       19.18164 
1 1 1 7  3  25  o 129.3073 9.300743 1.166830       0.1649560     1.211896       0.2331959     1.121696       0.2333703     131.1325 13.05215 125.9897 13.63180 5.142761       18.87285 
1 1 1 7  3  26  o 180.3517 9.252982 2.264610       0.2296548     2.098139       0.3233711     2.434016       0.3262093     172.7104 13.67126 186.3095 12.75691 -13.59914      18.69872 
1 1 1 7  3  27  o 118.2448 10.31113 0.9797361      0.1666703     0.9648276      0.2141928     1.002617       0.2653562     116.7137 13.54230 118.2571 16.71630 -1.543427      21.51345 
1 1 1 7  3  28  o 88.91766 10.60425 0.5578901      0.1276302     0.5762480      0.1640561     0.5297452      0.2031340     89.77726 13.66512 85.10480 17.85545 4.672455       22.48450 
1 1 1 7  3  29  o 232.3457 9.253413 3.751026       0.2968756     3.864888       0.4214551     3.638887       0.4182542     234.7587 13.05300 227.6858 13.36206 7.072922       18.67955 
1 1 1 7  3  30  o 136.8964 10.25527 1.311587       0.1924464     1.243676       0.3047274     1.356642       0.2482069     131.6826 17.16721 138.6582 13.11970 -6.975586      21.60648 
1 1 1 7  3  31  o 164.1281 10.27071 1.882791       0.2315954     1.641065       0.3662104     2.043905       0.2989744     151.2683 17.87822 170.4759 12.79417 -19.20752      21.98458 
1 1 1 7  3  32  o 100.5989 10.62430 0.7128779      0.1453486     0.7537032      0.1898430     0.6550480      0.2259470     102.8190 13.71346 94.69252 17.93703 8.126518       22.57866 
1 1 1 7  3  33  o 179.5824 10.22388 2.253458       0.2524742     2.191792       0.3275049     2.343786       0.3963778     176.3039 13.55686 181.6339 15.96642 -5.329987      20.94552 
1 1 1 7  3  34  f 220.5929 8.596151 3.381261       0.2618385     3.306916       0.3472245     3.479270       0.3986754     217.2825 11.61511 222.4807 13.03433 -5.198105      17.45865 
1 1 1 7  3  35  o 269.5077 9.333930 5.053789       0.3473551     5.097206       0.4268471     4.968668       0.5976638     270.1387 11.44320 264.6180 16.43813 5.520660       20.02896 
1 1 1 7  3  36  o 366.8185 9.491620 9.366535       0.4807614     9.325681       0.6797864     9.407416       0.6800125     364.4923 13.50660 366.1107 13.45137 -1.618378      19.06221 
1 1 1 7  3  37  o 225.9382 8.595453 3.548406       0.2681615     3.418093       0.4085352     3.647056       0.3554562     220.2703 13.49693 228.5036 11.26562 -8.233307      17.58070 
1 1 1 7  3  38  o 127.2880 8.712686 1.131572       0.1522150     0.9644216      0.2313456     1.259170       0.2021295     116.1619 14.75607 133.8627 11.03364 -17.70079      18.42506 
1 1 1 7  3  39  o 136.0249 8.756530 1.291569       0.1635967     1.184523       0.2505905     1.371081       0.2159715     129.0433 14.30407 139.6732 11.29480 -10.62987      18.22577 
1 1 1 7  3  40  o 224.6174 9.308985 3.510301       0.2887245     3.546766       0.4094332     3.474231       0.4072122     224.5212 13.26540 222.1854 13.33463 2.335785       18.80912 
1 1 1 7  3  41  o 117.6386 8.945617 0.9676068      0.1442221     0.8760715      0.1904243     1.090748       0.2208665     111.1854 12.62724 124.1052 13.08575 -12.91977      18.18472 
1 1 1 7  3  42  o 120.3305 9.017998 1.012242       0.1487489     0.8195004      0.1952169     1.279059       0.2296873     107.3081 13.47183 134.6488 12.49612 -27.34071      18.37507 
1 1 1 7  3  43  o 223.4385 8.041152 3.465920       0.2480929     3.512026       0.3509504     3.419864       0.3507623     224.0235 11.38266 221.0172 11.53339 3.006332       16.20445 
1 1 1 7  3  44  o 158.0208 8.196701 1.738322       0.1782367     1.797990       0.2524579     1.679024       0.2516736     160.0889 11.49719 154.5904 11.88102 5.498535       16.53312 
1 1 1 7  3  45  o 280.6839 8.088465 5.468549       0.3134885     5.425869       0.4426709     5.511489       0.4440115     278.8264 11.49765 281.0324 11.44195 -2.205933      16.22079 
1 1 1 7  3  46  o 247.7339 8.066014 4.259376       0.2759195     4.250695       0.3897122     4.268100       0.3907079     246.8335 11.43410 247.3370 11.43998 -0.5034943     16.17442 
1 1 1 7  3  47  o 144.0491 8.178102 1.444751       0.1619970     1.517708       0.2294126     1.372191       0.2287853     147.0871 11.38414 139.6934 11.97662 7.393692       16.52386 
1 1 1 7  3  48  o 55.13155 10.00593 0.2179158      0.7336665E-01 0.2585148      0.1043028     0.1781570      0.1032179     59.66814 13.02497 49.81157 14.27315 9.856567       19.32286 
1 1 1 7  3  49  o 253.0688 8.091870 4.444080       0.2827649     4.374331       0.3986868     4.514678       0.4011041     250.4250 11.52965 254.4360 11.41670 -4.010925      16.22572 
1 1 1 7  3  50  o 123.5217 9.115953 1.065808       0.1543846     1.137522       0.2036453     0.9688927      0.2367380     127.1635 11.72998 116.5334 15.06495 10.63010       19.09307 
1 1 1 7  3  51  o 178.6996 9.442383 2.225943       0.2321661     2.055316       0.3263764     2.400722       0.3303241     170.7149 13.96784 184.8276 13.02637 -14.11272      19.09939 
1 1 1 7  3  52  o 134.4761 9.825151 1.264407       0.1811782     1.493744       0.3144819     1.150471       0.2216606     144.8372 15.99119 127.6771 12.74319 17.16010       20.44766 
1 1 1 7  3  53  o 306.9329 9.437844 6.549352       0.3999946     6.065794       0.5605438     7.051041       0.5709556     294.2341 13.79681 317.4839 13.02395 -23.24979      18.97301 
1 1 1 7  3  54  o 258.0969 8.689524 4.626547       0.3096825     4.415011       0.4075536     4.915552       0.4763687     251.5137 11.73506 265.0602 13.01549 -13.54657      17.52469 
1 1 1 7  3  55  o 132.7731 8.340124 1.228673       0.1521278     1.272993       0.2149089     1.184161       0.2153744     134.5587 11.68252 129.6411 12.17391 4.917633       16.87262 
1 1 1 7  3  56  o 137.7199 8.332687 1.321768       0.1577140     1.294218       0.2223897     1.349643       0.2236988     135.5946 12.00173 138.5307 11.80713 -2.936096      16.83597 
1 1 1 7  3  57  o 125.9507 8.410024 1.106763       0.1454226     1.104421       0.2051170     1.109131       0.2062044     125.1435 12.01792 125.4043 12.05685 -0.2607422     17.02346 
1 1 1 7  3  58  f 88.81174 9.513537 0.5551123      0.1148522     0.5355053      0.1526179     0.5807170      0.1744047     86.45189 13.20357 89.77635 14.56818 -3.324463      19.66128 
1 1 1 7  3  59  o 72.78593 10.70630 0.3773062      0.1043881     0.3325149      0.1474299     0.4223380      0.1478251     67.28165 16.08677 76.25266 14.57085 -8.971008      21.70469 
1 1 1 7  3  60  o 81.33598 9.721452 0.4672953      0.1070187     0.4922429      0.1622531     0.4480843      0.1423811     82.38697 14.80683 78.80110 13.57523 3.585869       20.08804 
1 1 1 7  3  61  o 87.10796 9.716062 0.5352343      0.1148743     0.5936394      0.1779175     0.4934802      0.1504328     90.65389 14.71806 82.73949 13.64272 7.914406       20.06851 
1 1 1 7  3  62  o 170.4668 9.662235 2.032398       0.2264986     2.104425       0.3199231     1.960016       0.3207133     172.4182 13.54676 166.1871 14.10932 6.231033       19.55985 
1 1 1 7  3  63  o 152.7508 9.004628 1.630898       0.1890872     1.578046       0.2489513     1.702960       0.2906948     149.4916 12.16587 154.8717 13.73591 -5.380112      18.34895 
1 1 1 7  3  64  o 166.4949 8.290668 1.929104       0.1906024     1.903192       0.2693872     1.955079       0.2697181     164.2607 11.95907 166.5407 11.80525 -2.279938      16.80427 
1 1 1 7  3  65  o 96.60796 9.037231 0.6561570      0.1191547     0.7505787      0.1682611     0.5611742      0.1687603     102.7026 12.09689 88.01957 14.38203 14.68303       18.79302 
1 1 1 7  3  66  o 132.3861 8.625020 1.226079       0.1568059     1.201983       0.2213440     1.250356       0.2221724     130.1497 12.46911 132.8257 12.25159 -2.676041      17.48085 
1 1 1 7  3  67  f 47.39925 11.82634 0.1639356      0.7715122E-01 0.1941367      0.1092032     0.1338392      0.1090136     51.64601 14.64117 44.64767 14.98648 6.998337       20.95133 
1 1 1 7  3  68  o 131.0847 8.688046 1.202789       0.1563664     1.271860       0.2212856     1.133905       0.2209856     133.9766 12.09182 126.2274 12.85817 7.749252       17.65063 
1 1 1 7  3  69  f 126.4568 8.765426 1.120111       0.1521125     1.117862       0.2151335     1.122359       0.2151057     125.3844 12.59621 125.6464 12.56688 -0.2620392     17.79300 
1 1 1 7  3  70  o 150.4256 8.641071 1.582477       0.1787311     1.634998       0.2529174     1.530084       0.2526107     151.9760 12.15387 146.8592 12.57835 5.116730       17.49089 
1 1 1 7  3  71  o 221.2075 8.970646 3.414303       0.2740069     3.225498       0.3604230     3.672862       0.4217789     213.6991 12.26577 227.5588 13.48322 -13.85971      18.22762 
1 1 1 7  3  72  o 198.9740 9.031799 2.763379       0.2481467     2.747471       0.3273450     2.784873       0.3804842     197.2114 12.07907 197.7827 14.02281 -0.5713043     18.50792 
1 1 1 7  3  73  o 174.0623 9.949395 2.126705       0.2381405     1.972068       0.4113380     2.204666       0.2920647     164.3472 18.44421 176.5662 12.05135 -12.21907      22.03234 
1 1 1 7  3  74  o 103.8499 11.89097 0.7684236      0.1674412     0.6389101      0.2697063     0.8496473      0.2135873     91.57508 21.66737 108.4477 14.63715 -16.87265      26.14806 
1 1 1 7  3  75  o 66.75687 12.04808 0.3229986      0.1069721     0.4712622      0.1439793     0.1403151      0.1598205     80.61489 13.40517 48.73572 17.98597 31.87917       22.43197 
1 1 1 7  3  76  o 35.70789 12.87271 0.7634586E-01  0.8117229E-01 0.1777318      0.1146401     -0.2558961E-01 0.1149504     49.77832 15.24488 31.34056 13.77151 18.43776       20.54412 
1 1 1 7  3  77  o 71.02710 11.30985 0.3629560      0.1072027     0.4430743      0.1519436     0.2835426      0.1512736     77.73788 14.69345 61.82272 17.12961 15.91517       22.56814 
1 1 1 7  3  78  o 149.7974 8.962951 1.572820       0.1845417     1.728394       0.2618828     1.419369       0.2600893     156.0703 12.25045 140.9118 13.53357 15.15842       18.25461 
1 1 1 7  3  79  o 200.8033 8.631567 2.815109       0.2393307     3.028474       0.3394960     2.604316       0.3374427     206.9097 11.93335 191.4592 12.83831 15.45055       17.52789 
1 1 1 7  3  80  o 84.50529 11.44094 0.5116582      0.1300683     0.5285943      0.1737893     0.4900908      0.1961167     84.75336 15.41804 80.76512 18.04066 3.988243       23.73144 
1 1 1 7  3  81  o 108.6009 11.60516 0.8410190      0.1713350     0.8500483      0.2908735     0.8362215      0.2120202     105.8103 20.64974 107.2837 14.69866 -1.473465      25.34684 
1 1 1 7  3  82  f 87.90529 12.42647 0.5576634      0.1466303     0.6796311      0.2487310     0.4927000      0.1815274     94.57082 19.68749 81.18490 16.74892 13.38592       25.84809 
1 1 1 7  3  83  o 184.7283 9.653143 2.403252       0.2453746     2.490068       0.3249452     2.288069       0.3742866     186.7317 12.67753 177.5586 15.41907 9.173096       19.96165 
1 1 1 7  3  84  o 147.6131 10.03614 1.542220       0.2033494     1.565498       0.2691036     1.511234       0.3104711     147.3530 13.37143 143.4997 15.93791 3.853256       20.80414 
1 1 1 7  3  85  o 187.6025 8.982919 2.474628       0.2326988     2.526341       0.3312919     2.424271       0.3269233     187.3816 12.88227 183.4808 12.98771 3.900757       18.29299 
1 1 1 7  3  86  f 172.5787 9.189183 2.105529       0.2181900     2.202240       0.3112826     2.012120       0.3059218     174.4949 13.01273 166.5165 13.41890 7.978439       18.69219 
1 1 1 7  3  87  o 162.0065 9.429963 1.863023       0.2100379     2.188560       0.3006860     1.552815       0.2935205     173.8103 12.61445 144.9214 14.87905 28.88882       19.50668 
1 1 1 7  3  88  o 190.6805 9.156578 2.575881       0.2410891     2.720943       0.3438279     2.435575       0.3381460     193.1559 12.96645 182.2753 13.53158 10.88058       18.74120 
1 1 1 7  3  89  o 84.09554 12.22982 0.5220919      0.1378526     0.5508987      0.1985092     0.4952605      0.1915815     83.68903 17.72940 79.13805 17.94522 4.550972       25.22623 
1 1 1 7  3  90  f 52.20145 14.92524 0.2097217      0.1129846     0.2493497      0.1631304     0.1731860      0.1566361     56.55473 18.30532 49.53645 17.87815 7.018280       25.58736 
1 1 1 7  3  91  o 78.06388 12.90771 0.4579698      0.1342728     0.5165652      0.1930182     0.4030245      0.1869098     80.29517 17.86920 70.27810 18.86516 10.01707       25.98467 
1 1 1 7  3  92  o 64.21380 15.08770 0.3224236      0.1315110     0.3934686      0.1762497     0.2331831      0.1975343     69.56129 18.15578 55.43796 20.06636 14.12333       27.06088 
1 1 1 7  3  93  o 71.10947 17.35054 0.4081340      0.1688567     0.6072348      0.2803668     0.2948072      0.2115224     82.64814 23.46998 60.22659 20.86048 22.42155       31.40063 
1 1 1 7  3  94  o 45.42126 16.82658 0.1411514      0.1401443     0.8109372E-01  0.2434008     0.1709356      0.1714077     48.07170 20.57980 49.41253 18.54871 -1.340820      27.70529 
1 1 1 7  3  95  o 44.17484 15.34261 0.1418526      0.1144588     0.1166482      0.1523220     0.1745418      0.1734706     44.07956 17.24434 49.70409 18.65964 -5.624531      25.40767 
1 1 1 7  3  96  f 94.91927 11.89865 0.6708111      0.1525247     0.7636333      0.2147590     0.5763399      0.2166585     98.38682 16.38419 83.23925 19.23597 15.14757       25.26785 
1 1 1 7  3  97  o 92.16475 12.15710 0.6347684      0.1509392     0.6167935      0.2109455     0.6536268      0.2160673     87.01225 18.14466 89.69628 18.06987 -2.684029      25.60759 
1 1 1 7  3  98  o 122.3048 10.78374 1.094707       0.1802531     1.018339       0.2528653     1.173603       0.2570182     113.7535 16.58650 123.1748 15.45140 -9.421295      22.66844 
1 1 1 7  3  99  o 132.7596 10.71401 1.288463       0.1947337     1.037443       0.2722928     1.551258       0.2786058     113.6047 17.95473 142.7437 14.32834 -29.13898      22.97115 
1 1 1 7  3  100 o 186.7091 10.55543 2.541743       0.2710173     2.465096       0.3564602     2.646749       0.4172256     179.7397 14.48542 183.5492 16.64289 -3.809464      22.06385 
1 1 1 7  3  101 f 131.7555 13.59826 1.320300       0.2438372     1.340163       0.3738714     1.305597       0.3216633     123.3402 22.79184 125.7023 19.13587 -2.362144      29.75986 
1 1 1 7  3  102 o 102.8876 15.10269 0.8330004      0.2081768     0.7259635      0.3135369     0.9173902      0.2783984     86.65344 24.88990 103.3167 20.23853 -16.66325      32.07967 
1 1 1 7  3  103 o 50.62371 16.25368 0.2091187      0.1288098     0.2560970      0.1665117     0.1391125      0.2032658     54.98584 18.52141 47.28028 19.41835 7.705551       26.83496 
1 1 1 7  3  104 o 48.49211 15.49812 0.1935342      0.1172149     0.1224263      0.1621067     0.2714475      0.1696867     43.44784 17.52706 55.49903 18.69714 -12.05119      25.62774 
1 1 1 7  3  105 o 57.12885 15.03120 0.2759020      0.1201748     0.4226637      0.1663090     0.1155346      0.1738472     68.99104 17.44660 42.88915 17.81868 26.10189       24.93771 
1 1 1 7  3  106 o 28.27460 12.57650 -0.5667007E-02 0.9870585E-01 0.1450867E-01  0.1361349     -0.2803009E-01 0.1433248     33.48196 14.83698 31.92685 14.58394 1.555113       20.80450 
1 1 1 7  3  107 o 28.50636 12.65437 0.2293738E-02  0.9945211E-01 0.1294402E-01  0.1381521     -0.9162032E-02 0.1432811     32.94895 14.75089 32.24870 14.67294 0.7002525      20.80586 
1 1 1 7  3  108 f 39.99034 15.00341 0.1425754      0.1121152     0.1088617      0.1573442     0.1773472      0.1597939     38.47615 16.51116 42.96873 17.37777 -4.492577      23.97092 
1 1 1 7  3  109 o 22.46772 10.66967 -0.6423128E-01 0.8962746E-01 0.1593621E-01  0.1269061     -0.1440114     0.1265992     30.29806 13.79455 23.83327 11.64514 6.464781       18.05267 
1 1 1 7  3  110 o 43.16934 15.44513 0.2150066      0.1166430     0.2463404      0.1645054     0.1833255      0.1654146     42.31043 17.43384 38.44884 16.71481 3.861588       24.15210 
1 1 1 7  3  111 o 23.16935 11.10964 -0.4200281E-01 0.1022164     -0.1328176     0.1336202     0.8611307E-01  0.1587067     22.85533 11.31930 31.01262 14.56533 -8.157295      18.44656 
1 1 1 7  3  112 o 30.45660 14.06131 0.1430029      0.1382094     0.5277397E-01  0.2285666     0.1950093      0.1735275     27.92534 13.98307 31.58340 14.95425 -3.658060      20.47329 
1 1 1 7  3  113 o 16.83304 8.556746 -0.2076304     0.1064268     0.5719092E-01  0.1576261     -0.4295012     0.1442786     24.32415 12.08921 16.70599 8.589177 7.618162       14.82980 
1 1 1 7  3  114 o 19.60655 9.929063 -0.2266058E-01 0.1343659     0.8010115E-01  0.1999300     -0.1073077     0.1814547     21.36811 10.93545 19.41203 9.967330 1.956081       14.79634 
1 1 1 7  3  115 o 19.57001 10.01380 0.2360305      0.1670539     0.4529128      0.2450932     0.4785123E-01  0.2282996     19.62623 10.13754 17.74931 9.196389 1.876917       13.68734 
1 1 1 7  3  116 o 16.60054 8.578360 0.3518269      0.1800645     0.5103098      0.2635628     0.2131057      0.2465838     16.06587 8.354176 15.40426 8.011225 0.6616049      11.57463 
1 1 1 7  3  117 o 12.47382 6.475574 -0.3823133E-01 0.1309280     -0.3930544E-01 0.1930138     -0.3731584E-01 0.1781931     12.64049 6.579150 12.61958 6.565854 0.2091408E-01  9.294926 
1 1 1 7  3  118 o 11.51046 5.989045 0.8715880E-01  0.1497062     0.3657828E-01  0.2187114     0.1317492      0.2053527     11.34017 5.905773 11.48918 5.983362 -0.1490154     8.407066 
1 1 1 7  3  119 o 9.780941 5.093998 -0.1876242E-02 0.1554248     0.5853516E-01  0.1966648     -0.1023813     0.2536653     9.858236 5.133143 9.739677 5.066422 0.1185589      7.212336 
1 1 1 7  3  120 o ?        ?        -0.1322312E-01 0.2444123     0.000000       0.000000      -0.1322312E-01 0.2444123     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  126 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  0   o 395.8986 23.66442 11.09125       1.283069      11.09125       1.283069      0.000000       0.000000      395.8986 23.66442 395.8986 23.66442 -0.000000      0.000000 
1 1 1 7  4  1   o 239.5911 16.15750 4.034324       0.5314213     4.748066       0.7576136     3.343007       0.7456164     258.3593 21.43009 215.0596 25.61212 43.29967       33.39505 
1 1 1 7  4  2   o 136.0203 11.37940 1.294778       0.2117643     1.305433       0.2446500     1.262947       0.4228777     136.2763 13.16526 131.3548 24.20665 4.921555       27.55514 
1 1 1 7  4  3   o 249.1849 11.24953 4.315360       0.3870741     4.310878       0.4466682     4.328875       0.7756430     248.4366 13.06653 245.9965 23.10544 2.440170       26.54421 
1 1 1 7  4  4   o 114.7877 11.39060 0.9247584      0.1781587     1.049563       0.2058463     0.5521765      0.3556636     122.1927 12.37045 87.51607 26.86020 34.67661       29.57192 
1 1 1 7  4  5   o 139.4018 11.28061 1.359484       0.2152782     1.337615       0.2479578     1.426434       0.4338487     137.9380 13.17871 140.0157 23.25595 -2.077621      26.73046 
1 1 1 7  4  6   o 198.5647 11.26628 2.749559       0.3076295     2.815306       0.3548487     2.550657       0.6172000     200.6293 12.87688 187.7876 24.37749 12.84171       27.56948 
1 1 1 7  4  7   o 234.9014 11.26370 3.836148       0.3653462     3.858578       0.4210909     3.767857       0.7347621     234.9618 13.03004 229.0466 23.56828 5.915176       26.93038 
1 1 1 7  4  8   o 175.8604 13.05306 2.166983       0.3147089     2.280025       0.3843527     1.937019       0.5482012     179.8547 15.63188 162.9498 25.17539 16.90482       29.63369 
1 1 1 7  4  9   o 170.3066 13.05438 2.033376       0.3046541     2.154900       0.3723586     1.787304       0.5298601     174.8006 15.59061 156.2612 25.43148 18.53943       29.82997 
1 1 1 7  4  10  o 244.7291 13.09796 4.187479       0.4410112     4.179204       0.5389252     4.204251       0.7672849     243.7085 16.10555 242.0198 23.24576 1.688644       28.27992 
1 1 1 7  4  11  o 279.3709 11.37582 5.429325       0.4388358     5.530095       0.6192011     5.327634       0.6220236     280.4716 16.05507 275.1505 16.44720 5.321167       22.98425 
1 1 1 7  4  12  o 146.7463 11.32988 1.506893       0.2278004     1.428554       0.3214392     1.585938       0.3228826     141.7260 16.74902 149.6374 15.86884 -7.911438      23.07271 
1 1 1 7  4  13  o 106.7187 11.49184 0.8015925      0.1666729     0.7970020      0.2350966     0.8062314      0.2363305     105.3154 16.72566 105.9404 16.70930 -0.6249313     23.64209 
1 1 1 7  4  14  o 77.87892 11.94739 0.4320057      0.1243771     0.3514825      0.1748766     0.5144337      0.1769330     69.36963 18.07482 84.35458 15.76996 -14.98495      23.98730 
1 1 1 7  4  15  o 266.7037 11.32140 4.951481       0.4169338     5.140421       0.5901990     4.763264       0.5890696     270.2317 15.88689 259.8985 16.49993 10.33322       22.90504 
1 1 1 7  4  16  o 71.19014 12.12026 0.3628883      0.1148743     0.3777319      0.1621379     0.3479273      0.1627777     71.90959 16.65620 68.98447 17.15940 2.925125       23.91389 
1 1 1 7  4  17  o 108.5776 11.54151 0.8302895      0.1703848     0.9094896      0.2413487     0.7515967      0.2405741     112.7499 15.94699 101.8684 17.74802 10.88147       23.85998 
1 1 1 7  4  18  o 220.9486 11.35312 3.409275       0.3452032     3.442899       0.4893415     3.375964       0.4870486     220.7611 16.16523 218.5667 16.25430 2.194458       22.92416 
1 1 1 7  4  19  o 139.1603 11.44208 1.358239       0.2179186     1.420290       0.3096114     1.297320       0.3067751     141.2611 16.16388 134.7479 16.85652 6.513153       23.35408 
1 1 1 7  4  20  o 208.6593 11.39657 3.042828       0.3271173     2.980291       0.4635503     3.104863       0.4616829     205.1417 16.50424 209.5421 16.07901 -4.400375      23.04179 
1 1 1 7  4  21  o 263.3690 11.40830 4.834960       0.4148809     4.877189       0.5875325     4.792960       0.5859312     262.7525 16.27383 260.4285 16.37712 2.323944       23.08783 
1 1 1 7  4  22  o 398.2146 11.74657 11.06296       0.6459014     11.10273       0.9125652     11.02304       0.9143224     396.8564 16.65300 395.3833 16.74723 1.473114       23.61763 
1 1 1 7  4  23  o 278.5287 11.44989 5.411242       0.4403614     5.373789       0.6209800     5.449129       0.6245656     275.6389 16.38929 277.5790 16.36739 -1.940033      23.16248 
1 1 1 7  4  24  o 331.1922 11.58481 7.654797       0.5297937     7.404207       0.7437291     7.912956       0.7548783     323.4637 16.70847 334.9731 16.32033 -11.50934      23.35650 
1 1 1 7  4  25  o 271.2502 13.26155 5.153440       0.4967094     5.282750       0.8599573     5.088700       0.6084726     269.7690 23.31506 268.0142 16.52219 1.754730       28.57577 
1 1 1 7  4  26  o 129.7995 24.57891 1.256804       0.4243983     1.256804       0.4243983     0.000000       0.000000      129.7995 24.57891 ?        ?        0.000000       24.57891 
1 1 1 7  4  27  f 204.3009 13.30798 2.937327       0.3733734     3.034388       0.4580316     2.745083       0.6446114     206.7440 16.17331 193.0663 24.74964 13.67773       29.56553 
1 1 1 7  4  28  o 236.2500 11.50763 3.898063       0.3754012     3.443417       0.4303772     5.344426       0.7676282     220.9625 14.18051 272.5538 20.54786 -51.59129      24.96600 
1 1 1 7  4  29  o 259.4920 11.49174 4.703726       0.4117635     4.860509       0.5819811     4.546575       0.5826625     261.8268 16.17668 252.9485 16.77717 8.878250       23.30576 
1 1 1 7  4  30  o 162.5316 10.23456 1.848295       0.2285184     1.810947       0.3595375     1.873609       0.2959980     159.1733 16.60256 162.9180 13.27313 -3.744705      21.25608 
1 1 1 7  4  31  o 135.0424 10.34318 1.278653       0.1914028     1.268832       0.3007229     1.285341       0.2481571     132.8958 16.76042 134.6750 13.52734 -1.779221      21.53835 
1 1 1 7  4  32  o 89.90129 9.892802 0.5696264      0.1207750     0.5142096      0.1699274     0.6261983      0.1716895     84.20322 15.17304 93.49609 13.70572 -9.292870      20.44672 
1 1 1 7  4  33  f 198.5650 9.283365 2.743577       0.2545342     2.748227       0.3596955     2.738913       0.3602365     197.5090 13.26594 197.1597 13.31012 0.3493958      18.79214 
1 1 1 7  4  34  f 111.7923 10.55144 0.8790170      0.1609512     0.8890358      0.2559699     0.8724654      0.2069911     110.7768 17.29962 110.6421 13.85217 0.1347122      22.16212 
1 1 1 7  4  35  o 172.2231 10.29820 2.074310       0.2437785     2.102246       0.3877376     2.056049       0.3134884     171.6769 16.56193 170.7075 13.40722 0.9694061      21.30848 
1 1 1 7  4  36  o 211.8862 9.284597 3.123096       0.2716462     3.173032       0.3849675     3.073574       0.3833691     212.3733 13.19287 208.9579 13.35664 3.415329       18.77370 
1 1 1 7  4  37  o 75.02628 10.24635 0.3992135      0.1033749     0.4246563      0.1460299     0.3736558      0.1463590     76.56388 14.33972 71.53988 15.28033 5.024002       20.95510 
1 1 1 7  4  38  o 184.0629 9.387136 2.362684       0.2377890     2.445694       0.3370841     2.280457       0.3354904     186.3852 13.18255 179.8325 13.61142 6.552734       18.94862 
1 1 1 7  4  39  o 239.3638 9.352014 3.985007       0.3091018     3.973832       0.4381240     3.996081       0.4361548     237.7499 13.40025 238.4483 13.29970 -0.6983490     18.87984 
1 1 1 7  4  40  o 54.63705 11.38914 0.2159225      0.8313925E-01 0.2483696      0.1170820     0.1829212      0.1180777     58.33991 14.57586 50.81503 15.45358 7.524879       21.24308 
1 1 1 7  4  41  o 127.0927 9.590369 1.129758       0.1670641     1.196672       0.2370671     1.063742       0.2354697     130.0520 13.39282 122.3478 14.20221 7.704262       19.52102 
1 1 1 7  4  42  o 102.9934 9.857397 0.7446213      0.1384753     0.7742483      0.1962798     0.7152622      0.1953906     104.2005 13.99550 99.94582 14.58776 4.254692       20.21576 
1 1 1 7  4  43  o 349.6708 9.531960 8.501937       0.4602350     8.408643       0.6515989     8.594818       0.6501447     346.4695 13.62001 350.3506 13.43907 -3.881073      19.13408 
1 1 1 7  4  44  o 160.3406 9.506378 1.793588       0.2095342     1.713784       0.2969750     1.872698       0.2956814     155.7825 13.95370 163.0707 13.24584 -7.288239      19.23949 
1 1 1 7  4  45  o 270.3473 8.714931 5.075680       0.3253299     5.125399       0.4314060     5.010124       0.4953694     271.0764 11.52541 267.1903 13.47008 3.886017       17.72789 
1 1 1 7  4  46  o 164.4565 9.510530 1.886420       0.2150483     1.908346       0.2630571     1.842244       0.3733909     165.0040 11.61984 160.7113 17.08808 4.292709       20.66454 
1 1 1 7  4  47  o 83.99632 10.38837 0.4984323      0.1179198     0.5096053      0.1687490     0.4877700      0.1648469     83.96018 15.11128 82.10242 15.09707 1.857765       21.36053 
1 1 1 7  4  48  o 44.44963 10.87425 0.1431046      0.6619456E-01 0.9882233E-01  0.1061843     0.1712522      0.8465767E-01 40.86415 14.72412 48.60231 12.53338 -7.738163      19.33611 
1 1 1 7  4  49  o 65.95416 11.31209 0.3116178      0.9931167E-01 0.1748860      0.1746143     0.3769951      0.1207420     53.14748 18.90988 72.45863 12.52071 -19.31114      22.67933 
1 1 1 7  4  50  o 177.8228 9.391922 2.204303       0.2297930     2.164939       0.3253181     2.243502       0.3246356     175.3178 13.54331 178.5605 13.26126 -3.242691      18.95474 
1 1 1 7  4  51  o 140.6032 8.863440 1.378783       0.1712012     1.388311       0.2278562     1.366432       0.2594364     140.5361 11.85242 139.0046 13.69435 1.531479       18.11119 
1 1 1 7  4  52  o 73.95762 9.141203 0.3858776      0.9136488E-01 0.3608718      0.1286822     0.4112974      0.1297432     70.59864 13.69444 75.65913 12.88047 -5.060486      18.80011 
1 1 1 7  4  53  o 153.8185 8.259743 1.647594       0.1747918     1.590654       0.2466403     1.705046       0.2477492     150.4187 11.97389 155.8506 11.59540 -5.431839      16.66815 
1 1 1 7  4  54  o 102.6251 9.269200 0.7384781      0.1299334     0.7524898      0.1724299     0.7200682      0.1976480     102.9972 12.37162 100.1662 14.72993 2.830994       19.23611 
1 1 1 7  4  55  o 91.62882 10.10063 0.5919181      0.1256729     0.5872723      0.1766296     0.5966814      0.1788479     90.25752 14.67662 90.97816 14.74105 -0.7206421     20.80149 
1 1 1 7  4  56  o 79.77859 9.653137 0.4495685      0.1041755     0.4364582      0.1568572     0.4599149      0.1393455     77.39458 15.22002 79.98933 13.06732 -2.594742      20.06000 
1 1 1 7  4  57  o 97.17737 9.340075 0.6634378      0.1237857     0.7013006      0.1877046     0.6342984      0.1646677     98.88259 14.15081 94.23324 13.00138 4.649353       19.21669 
1 1 1 7  4  58  o 70.28645 10.72225 0.3526779      0.1007679     0.3461305      0.1576074     0.3572049      0.1310534     68.50271 16.79206 70.04117 14.03947 -1.538460      21.88790 
1 1 1 7  4  59  o 155.8875 9.862103 1.701695       0.2111906     1.885452       0.3005342     1.522430       0.2968373     163.1648 13.45931 146.0670 14.92705 17.09784       20.09901 
1 1 1 7  4  60  o 201.9598 8.874324 2.840795       0.2474789     3.085147       0.3278369     2.517084       0.3773361     209.5869 11.37061 188.1740 14.63732 21.41290       18.53489 
1 1 1 7  4  61  o 234.1900 8.244363 3.816421       0.2666021     3.846619       0.3774068     3.786342       0.3766589     234.1968 11.67054 232.0327 11.79486 2.164078       16.59277 
1 1 1 7  4  62  o 217.1011 8.273869 3.280663       0.2480325     3.402648       0.3514938     3.159678       0.3500525     219.9470 11.61460 211.7882 12.01951 8.158783       16.71429 
1 1 1 7  4  63  o 93.54507 9.262488 0.6162659      0.1180704     0.6286582      0.1674950     0.6040258      0.1664634     93.53222 13.34748 91.58663 13.57372 1.945587       19.03684 
1 1 1 7  4  64  o 155.4651 8.456533 1.688390       0.1808535     1.565196       0.2548821     1.813306       0.2566579     148.6219 12.53695 160.3031 11.67535 -11.68129      17.13152 
1 1 1 7  4  65  o 97.46378 9.185897 0.6684920      0.1221657     0.6617641      0.1728679     0.6752045      0.1726690     95.95702 13.41333 96.99165 13.23838 -1.034622      18.84602 
1 1 1 7  4  66  o 68.57586 10.48679 0.3364614      0.9614502E-01 0.3930853      0.1365887     0.2808524      0.1353588     73.40162 13.98699 61.64748 15.82184 11.75414       21.11792 
1 1 1 7  4  67  o 99.13361 9.102681 0.6913614      0.1232111     0.7221344      0.1745197     0.6607803      0.1739751     100.4305 12.88155 95.82706 13.52398 4.603462       18.67705 
1 1 1 7  4  68  o 119.4085 8.874337 0.9998969      0.1452761     1.046564       0.2052641     0.9530591      0.2056392     121.3003 12.43056 115.5000 13.12715 5.800301       18.07874 
1 1 1 7  4  69  o 83.61423 10.67127 0.4975732      0.1203971     0.5607038      0.1578081     0.4096493      0.1862359     88.14368 13.38678 73.97699 18.32634 14.16669       22.69494 
1 1 1 7  4  70  o 240.6545 10.73130 4.061023       0.3566025     4.179387       0.5643319     3.982343       0.4601037     240.7782 17.08474 236.5846 14.14905 4.193558       22.18296 
1 1 1 7  4  71  o 149.1272 10.26703 1.564699       0.2101288     1.677772       0.3671906     1.509638       0.2562322     151.6844 17.87441 145.6911 12.86918 5.993362       22.02522 
1 1 1 7  4  72  o 158.8388 9.228272 1.768269       0.2015296     1.739627       0.2683930     1.805292       0.3051426     156.5681 12.51922 158.9659 14.04599 -2.397720      18.81544 
1 1 1 7  4  73  o 141.1036 9.399683 1.397650       0.1820945     1.383757       0.2427441     1.415530       0.2753720     139.4429 12.74810 140.4814 14.39935 -1.038422      19.23163 
1 1 1 7  4  74  o 261.4577 8.472123 4.767909       0.3058663     4.730435       0.4313579     4.805803       0.4337728     259.0874 12.05739 261.1558 12.02887 -2.068359      17.03157 
1 1 1 7  4  75  o 138.8815 9.080791 1.353076       0.1731843     1.538045       0.2452353     1.169058       0.2446050     147.2160 12.17317 127.5898 14.12064 19.62624       18.64346 
1 1 1 7  4  76  o 151.9867 8.946854 1.619117       0.1869366     1.758048       0.2634607     1.478255       0.2652851     157.4023 12.21752 143.8120 13.51782 13.59029       18.22085 
1 1 1 7  4  77  o 172.4332 9.336710 2.086004       0.2214786     2.036701       0.2931755     2.151546       0.3380270     169.2649 12.63468 173.3303 14.24957 -4.065369      19.04430 
1 1 1 7  4  78  o 175.9802 10.03369 2.179101       0.2428060     2.230790       0.3393180     2.124860       0.3475904     176.4990 14.03883 171.8970 14.78801 4.601944       20.39054 
1 1 1 7  4  79  o 244.0970 9.865909 4.180727       0.3325351     4.021000       0.5639658     4.265857       0.4117224     234.8215 17.51922 245.5585 12.14260 -10.73705      21.31586 
1 1 1 7  4  80  o 118.6638 11.40547 1.003193       0.1845805     1.052167       0.2568376     0.9508814      0.2654479     119.8705 15.91012 113.1770 17.55427 6.693459       23.69144 
1 1 1 7  4  81  o 82.79214 12.28615 0.4965054      0.1361958     0.5790519      0.1766692     0.3755849      0.2138265     88.62753 14.96945 70.07213 20.67906 18.55540       25.52857 
1 1 1 7  4  82  o 143.3701 9.290290 1.450908       0.1829290     1.499160       0.2587874     1.402720       0.2586141     144.1984 13.14133 139.2268 13.62683 4.971573       18.93106 
1 1 1 7  4  83  o 144.7077 9.313536 1.480883       0.1851106     1.551880       0.2625663     1.410724       0.2610125     146.4790 13.12055 139.3006 13.74908 7.178421       19.00490 
1 1 1 7  4  84  o 117.0775 9.814284 0.9761742      0.1571971     1.032788       0.2231942     0.9204486      0.2214368     118.7026 13.87914 111.5771 14.73298 7.125488       20.24083 
1 1 1 7  4  85  o 74.13422 12.41626 0.4054253      0.1226060     0.5222428      0.1749775     0.2927501      0.1718472     82.89225 15.86520 61.48096 18.63094 21.41129       24.47073 
1 1 1 7  4  86  o 74.58746 12.93620 0.4141665      0.1284028     0.4195952      0.1819394     0.4087794      0.1812405     72.91017 18.14429 71.92420 18.22643 0.9859695      25.71805 
1 1 1 7  4  87  o 119.0157 10.13595 1.019423       0.1649869     1.219887       0.2337302     0.8203388      0.2329254     128.4166 13.37761 102.9989 16.96846 25.41765       21.60761 
1 1 1 7  4  88  o 117.4849 10.24950 0.9972655      0.1646082     1.285640       0.2337899     0.7137665      0.2318052     131.7929 13.01692 94.68395 18.39287 37.10899       22.53304 
1 1 1 7  4  89  o 74.17385 12.87791 0.4143251      0.1271124     0.3912427      0.1797128     0.4374339      0.1798155     69.41127 18.43824 73.73466 17.85191 -4.323395      25.66436 
1 1 1 7  4  90  o 68.25576 14.43723 0.3603394      0.1318201     0.2390849      0.1746797     0.5207312      0.2009021     55.37392 18.96868 79.97055 18.55256 -24.59663      26.53315 
1 1 1 7  4  91  o 107.7522 12.68631 0.8668784      0.1851394     1.225799       0.3371798     0.7119609      0.2215200     121.3793 20.87010 94.32937 17.65597 27.04992       27.33668 
1 1 1 7  4  92  o 75.55815 16.30346 0.4538170      0.1651062     0.5349165      0.2801569     0.4106612      0.2043674     77.04478 23.87118 69.73527 20.11360 7.309509       31.21522 
1 1 1 7  4  93  f 24.06706 11.03723 -0.4985682E-01 0.8318984E-01 -0.3499665E-01 0.1099162     -0.6978322E-01 0.1272812     29.13538 13.09235 29.62949 13.61181 -0.4941082     18.88626 
1 1 1 7  4  94  o 41.33477 14.33837 0.1220656      0.9995061E-01 0.1560474      0.1385208     0.8515693E-01  0.1443631     46.59534 16.81321 41.09430 16.55325 5.501049       23.59436 
1 1 1 7  4  95  o 57.27120 15.05067 0.2589377      0.1205798     0.3592200      0.1681419     0.1527601      0.1730136     66.15546 17.94974 48.00867 18.48991 18.14679       25.76955 
1 1 1 7  4  96  o 155.5364 10.06417 1.753759       0.2149879     1.759992       0.3023317     1.747384       0.3057751     151.9405 14.58966 151.1483 14.84224 0.7922211      20.81226 
1 1 1 7  4  97  f 159.2300 10.75534 1.851033       0.2350895     2.236710       0.3133889     1.354701       0.3555149     172.7398 13.23950 126.9875 21.00954 45.75231       24.83314 
1 1 1 7  4  98  o 147.0085 11.11421 1.587130       0.2239438     1.928973       0.2990255     1.150518       0.3379419     159.7411 13.68892 115.6007 21.97433 44.14039       25.88934 
1 1 1 7  4  99  o 159.4769 10.88875 1.867538       0.2383473     2.247569       0.3619370     1.576533       0.3167187     169.8687 15.60503 141.1205 16.56870 28.74823       22.76047 
1 1 1 7  4  100 o 114.4585 11.69937 0.9795347      0.1823057     0.8944857      0.2723398     1.048589       0.2453982     102.3328 19.99034 114.9579 15.88380 -12.62508      25.53251 
1 1 1 7  4  101 o 55.48851 15.92685 0.2535633      0.1284228     0.3070122      0.1673412     0.1769820      0.2003063     59.74486 18.43887 49.61956 19.66137 10.12530       26.95480 
1 1 1 7  4  102 o 24.15009 11.30476 -0.7407378E-01 0.9426291E-01 -0.1723187     0.1208047     0.7885379E-01  0.1507203     23.99256 11.64431 39.84408 16.57551 -15.85152      20.25679 
1 1 1 7  4  103 f 58.18121 15.01340 0.2848226      0.1214229     0.2079631      0.1697095     0.3654312      0.1737994     49.43804 18.47651 63.11454 18.64833 -13.67650      26.25151 
1 1 1 7  4  104 f 50.94221 15.56204 0.2270032      0.1195461     0.3291791      0.1681502     0.1225762      0.1699922     58.78754 18.53863 42.40722 17.61936 16.38032       25.57582 
1 1 1 7  4  105 o 93.59330 12.32299 0.7094292      0.1553850     0.6207439      0.2174377     0.8019857      0.2221327     78.03262 20.06709 92.36787 18.06340 -14.33524      26.99953 
1 1 1 7  4  106 o 34.90023 14.23651 0.8469458E-01  0.1083294     0.2545588E-01  0.1510854     0.1473715      0.1554080     33.84775 15.26654 41.21223 16.95885 -7.364475      22.81819 
1 1 1 7  4  107 o 49.67881 15.83331 0.2529111      0.1224049     0.2434464      0.1709676     0.2628647      0.1753281     45.78239 18.15704 46.97966 18.46452 -1.197277      25.89627 
1 1 1 7  4  108 o 44.42875 15.45056 0.2196620      0.1160931     0.3635601      0.1641946     0.7581352E-01  0.1641662     52.41681 18.36644 33.80982 15.50512 18.60699       24.03612 
1 1 1 7  4  109 o 40.12236 15.60790 0.2131161      0.1242437     0.2327491      0.1638789     0.1865775      0.1905322     38.82616 16.75758 35.78723 16.51796 3.038925       23.52996 
1 1 1 7  4  110 o 30.08762 13.90837 0.1125163      0.1358469     0.3603065      0.2164661     -0.4847993E-01 0.1744841     36.79177 17.19305 25.86384 12.83130 10.92793       21.45329 
1 1 1 7  4  111 o 34.55854 15.94793 0.3704630      0.1774885     0.4538447      0.2554376     0.2926261      0.2467986     31.37436 15.55834 28.97610 14.51226 2.398268       21.27599 
1 1 1 7  4  112 o 24.63217 12.20162 0.1821039      0.1555351     0.2005960      0.2227167     0.1644998      0.2173029     23.64838 12.05471 23.30954 11.88421 0.3388367      16.92780 
1 1 1 7  4  113 o 16.80509 8.593987 -0.7697194E-01 0.1213870     -0.1314918     0.1731935     -0.2433257E-01 0.1701805     17.28494 8.911714 18.09773 9.305909 -0.8127899     12.88482 
1 1 1 7  4  114 o 14.17943 7.313387 -0.1231667     0.1186006     -0.1804961     0.1687222     -0.6717072E-01 0.1667485     14.62776 7.587846 15.18131 7.865622 -0.5535526     10.92902 
1 1 1 7  4  115 o 12.72209 6.592772 -0.8370389E-01 0.1184782     -0.1363652E-01 0.1673063     -0.1541869     0.1678018     13.32986 6.927293 12.84628 6.679829 0.4835825      9.623279 
1 1 1 7  4  116 o 11.99650 6.236107 0.5782380E-01  0.1399505     0.3042319E-01  0.1967498     0.8588602E-01  0.1991110     11.87839 6.184951 11.98167 6.238636 -0.1032734     8.784884 
1 1 1 7  4  117 o 10.30470 5.366766 -0.3770089E-02 0.1832477     0.5608394E-01  0.2623571     -0.6078544E-01 0.2560602     10.36501 5.393865 10.28047 5.349600 0.8453941E-01  7.596841 
1 1 1 7  4  118 o ?        ?        0.1764462      0.3028400     0.000000       0.000000      0.1764462      0.3028400     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  4  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  0   o 39.18938 21.01299 0.1543257      0.1562236     0.1543257      0.1562236     0.000000       0.000000      39.18938 21.01299 39.18938 21.01299 -0.000000      0.000000 
1 1 1 7  5  1   o 158.3941 16.28514 1.784562       0.3511063     1.373005       0.4927018     2.209195       0.5004678     135.0964 27.35034 174.7769 21.16913 -39.68057      34.58573 
1 1 1 7  5  2   o 119.6564 13.38059 1.013952       0.2172949     0.9180735      0.2659020     1.206703       0.3770157     112.7231 17.66352 128.2095 22.09378 -15.48634      28.28666 
1 1 1 7  5  3   o 243.6499 11.34555 4.139138       0.3817066     4.012871       0.4397093     4.525272       0.7689347     239.0932 13.37225 250.3155 22.48651 -11.22223      26.16219 
1 1 1 7  5  4   o 179.7343 11.31796 2.261007       0.2794558     2.279680       0.3222565     2.204382       0.5611710     180.0790 13.04836 173.4228 24.08441 6.656143       27.39194 
1 1 1 7  5  5   o 295.3137 11.34292 6.081345       0.4625368     5.896559       0.5312800     6.660006       0.9401600     290.2672 13.25524 303.8890 22.56630 -13.62183      26.17134 
1 1 1 7  5  6   o 231.5331 11.28696 3.738108       0.3608510     3.871662       0.4170899     3.340618       0.7195579     234.9362 12.90654 213.6281 24.85803 21.30806       28.00893 
1 1 1 7  5  7   o 262.0911 11.35044 4.790827       0.4107738     4.847058       0.4747077     4.623228       0.8195470     263.1950 13.06203 252.2154 23.81414 10.97957       27.16118 
1 1 1 7  5  8   o 272.7524 11.42326 5.189520       0.4302261     4.982622       0.4955599     5.822667       0.8668998     266.3867 13.51670 284.0870 22.27794 -17.70023      26.05778 
1 1 1 7  5  9   o 204.7541 13.12339 2.945997       0.3690833     2.954751       0.4508475     2.928208       0.6426638     204.1587 16.12400 200.2782 23.69819 3.880524       28.66335 
1 1 1 7  5  10  o 253.1752 16.23445 4.537151       0.5645493     4.520672       0.7925782     4.554123       0.8043382     249.5289 23.27144 250.3123 23.54799 -0.7833862     33.10691 
1 1 1 7  5  11  o 208.4704 16.23359 3.082428       0.4636169     2.999745       0.6491210     3.168524       0.6623870     202.6833 23.63770 208.4735 23.41529 -5.790237      33.27187 
1 1 1 7  5  12  o 113.9232 16.82310 0.9352033      0.2566782     1.102005       0.3603024     0.7633155      0.3657545     122.1979 22.16978 100.4957 26.11794 21.70215       34.25852 
1 1 1 7  5  13  o 165.8273 16.32455 1.958116       0.3689506     2.049841       0.5191094     1.864482       0.5244821     167.2679 23.09117 158.7389 24.73402 8.528976       33.83746 
1 1 1 7  5  14  o 265.2963 13.15777 4.930291       0.4820051     5.181737       0.8361164     4.805134       0.5898898     267.2685 22.87632 260.3551 16.49363 6.913452       28.20224 
1 1 1 7  5  15  o 88.82571 13.92593 0.5663492      0.1651899     0.5424153      0.2847665     0.5784876      0.2027982     85.26987 23.45291 89.02648 17.11880 -3.756615      29.03605 
1 1 1 7  5  16  o 211.9476 16.23435 3.189311       0.4715056     0.000000       0.000000      3.189311       0.4715056     ?        ?        211.9476 16.23435 0.000000       16.23435 
1 1 1 7  5  17  o 117.0565 16.84884 0.9876139      0.2644882     0.000000       0.000000      0.9876139      0.2644882     ?        ?        117.0565 16.84884 0.000000       16.84884 
1 1 1 7  5  18  o 485.4589 17.05788 16.68910       1.143446      17.51445       1.636561      15.90191       1.598272      491.1973 24.12894 466.7671 24.88760 24.43018       34.66408 
1 1 1 7  5  19  o 238.5533 13.17767 4.001630       0.4323891     3.736856       0.5277862     4.542058       0.7540321     229.2027 16.79323 250.2590 22.04550 -21.05626      27.71311 
1 1 1 7  5  20  o 191.4536 13.17012 2.581988       0.3460520     2.472184       0.4237123     2.801947       0.5996999     186.2152 16.65431 195.8633 22.58797 -9.648102      28.06391 
1 1 1 7  5  21  o 134.8343 11.50647 1.279250       0.2121794     1.241501       0.2995996     1.317235       0.3005365     131.3999 16.90434 135.5633 16.38793 -4.163376      23.54402 
1 1 1 7  5  22  o 161.7294 11.44870 1.836367       0.2540196     1.816602       0.3592639     1.856126       0.3592122     159.4240 16.56178 161.2303 16.36155 -1.806305      23.28074 
1 1 1 7  5  23  o 42.01859 12.40988 0.1255423      0.7698119E-01 0.3427242E-01  0.1085652     0.2178372      0.1091731     35.00393 14.26234 54.66552 14.29953 -19.66159      20.19632 
1 1 1 7  5  24  o 193.3858 11.44831 2.621695       0.3043447     2.690593       0.4319845     2.553793       0.4288495     194.4561 16.23676 189.2982 16.57364 5.157928       23.20168 
1 1 1 7  5  25  o 186.0446 11.48729 2.427189       0.2936586     2.389769       0.4154514     2.464553       0.4151408     183.0710 16.61573 186.0359 16.32576 -2.964905      23.29405 
1 1 1 7  5  26  o 137.6109 11.66092 1.332491       0.2194927     1.361272       0.3102873     1.303664       0.3105320     137.7885 16.64583 134.6713 17.08328 3.117264       23.85209 
1 1 1 7  5  27  o 305.9891 11.53275 6.540659       0.4872779     6.431055       0.6882590     6.650811       0.6899742     301.1050 16.61807 306.3408 16.37062 -5.235840      23.32719 
1 1 1 7  5  28  f 233.4413 11.43188 3.805561       0.3684963     3.783248       0.5209051     3.827913       0.5213602     230.8178 16.45141 232.2153 16.36425 -1.397537      23.20426 
1 1 1 7  5  29  o 221.9809 11.48170 3.449865       0.3507285     3.272429       0.4943503     3.629696       0.4976765     214.4778 16.82728 226.2445 16.03443 -11.76675      23.24350 
1 1 1 7  5  30  f 181.2414 11.54244 2.302834       0.2873603     2.259674       0.4056255     2.346319       0.4071564     178.0661 16.69183 181.5656 16.41774 -3.499435      23.41281 
1 1 1 7  5  31  o 250.0368 11.48214 4.364861       0.3964285     4.196654       0.5582502     4.535972       0.5630496     243.1268 16.73053 253.0202 16.20095 -9.893387      23.28909 
1 1 1 7  5  32  o 144.9373 11.67017 1.476156       0.2315792     1.386952       0.3262001     1.566799       0.3288205     138.9780 17.37796 148.1441 16.34669 -9.166153      23.85807 
1 1 1 7  5  33  o 155.1604 11.66078 1.690055       0.2480041     1.752664       0.3505396     1.627309       0.3509223     156.7810 16.43665 150.7936 17.15906 5.987381       23.76124 
1 1 1 7  5  34  o 102.7510 9.734464 0.7409758      0.1364662     0.6634336      0.1922349     0.8197526      0.1937589     96.07317 14.97930 107.3974 13.35394 -11.32421      20.06757 
1 1 1 7  5  35  o 114.5320 9.578837 0.9185520      0.1500970     0.9175969      0.2118653     0.9195145      0.2126753     113.6278 13.78547 113.7385 13.82600 -0.1107254     19.52428 
1 1 1 7  5  36  o 198.4849 9.355037 2.738827       0.2563958     2.711326       0.3618699     2.766551       0.3633315     196.3322 13.42882 198.3536 13.34313 -2.021408      18.93073 
1 1 1 7  5  37  o 101.9510 9.775217 0.7294565      0.1359247     0.6593502      0.1918634     0.8000963      0.1925919     95.79966 14.99598 106.0942 13.44834 -10.29453      20.14293 
1 1 1 7  5  38  o 198.8085 9.555679 2.748160       0.2623219     2.646044       0.3697611     2.851633       0.3722093     193.8448 13.90672 201.3908 13.46229 -7.545929      19.35536 
1 1 1 7  5  39  o 431.1657 9.704045 12.92824       0.5777434     12.92839       0.8160823     12.92810       0.8180264     429.6068 13.75703 429.5871 13.79044 0.1974487E-01  19.47902 
1 1 1 7  5  40  o 148.6757 9.540423 1.542972       0.1948261     1.566547       0.2745838     1.519070       0.2764773     149.0097 13.49142 146.6396 13.81725 2.370132       19.31152 
1 1 1 7  5  41  o 241.2807 10.31420 4.052187       0.3436340     4.038001       0.4419865     4.073869       0.5463941     239.8322 13.39997 239.8489 16.60005 -0.1666260E-01 21.33356 
1 1 1 7  5  42  o 91.46479 11.11421 0.5913746      0.1374843     0.6345439      0.1748659     0.5214899      0.2224890     94.21912 13.85461 84.07486 19.53692 10.14426       23.95081 
1 1 1 7  5  43  o 275.4040 9.436962 5.272595       0.3588727     5.115782       0.5063254     5.430900       0.5087282     269.9506 13.62741 278.5925 13.22447 -8.641937      18.98928 
1 1 1 7  5  44  o 193.0104 9.422703 2.589741       0.2511274     2.723437       0.3565384     2.458112       0.3537734     196.8600 13.19261 186.8208 13.81184 10.03911       19.10004 
1 1 1 7  5  45  o 288.8083 10.38714 5.807633       0.4142318     5.829288       0.6572253     5.793364       0.5335473     287.0040 16.65559 287.6400 13.43339 -0.6360779     21.39777 
1 1 1 7  5  46  o 299.3463 11.67448 6.253991       0.4825579     6.290089       0.6866266     6.218760       0.6783288     298.0777 16.75009 296.4260 16.63971 1.651672       23.61028 
1 1 1 7  5  47  f 121.5550 10.85344 1.037880       0.1802545     1.152213       0.2359690     0.8776863      0.2793146     127.5328 13.60991 109.6627 19.14217 17.87009       23.48728 
1 1 1 7  5  48  o 77.48900 12.29048 0.4297384      0.1271169     0.3840678      0.1635067     0.4995187      0.2021082     72.34608 16.70522 82.37978 18.24817 -10.03370      24.73985 
1 1 1 7  5  49  o 197.5865 10.51728 2.728914       0.2859119     2.532116       0.3676151     3.030205       0.4548567     189.3547 14.16235 206.5988 16.07088 -17.24419      21.42068 
1 1 1 7  5  50  o 214.9765 11.65259 3.238833       0.3446087     3.161911       0.4831093     3.318516       0.4917049     210.7484 16.73919 215.9809 16.61484 -5.232407      23.58503 
1 1 1 7  5  51  o 133.7842 10.74237 1.256727       0.1967729     1.347051       0.3066193     1.193479       0.2565774     137.0366 16.53847 129.4281 14.61245 7.608551       22.06909 
1 1 1 7  5  52  o 164.9523 9.661201 1.901664       0.2190930     1.865201       0.3093356     1.938369       0.3103556     162.2968 13.93852 165.5395 13.70065 -3.242752      19.54457 
1 1 1 7  5  53  o 117.0305 10.04932 0.9618834      0.1608201     1.005192       0.2267663     0.9180614      0.2281076     118.7099 14.11058 113.1471 14.96759 5.562767       20.57029 
1 1 1 7  5  54  o 158.7376 10.85249 1.768770       0.2364478     1.899415       0.3781853     1.684928       0.3029630     162.6102 17.09914 153.9412 14.42074 8.668976       22.36824 
1 1 1 7  5  55  o 200.2842 10.65580 2.811063       0.2936335     2.780988       0.4695454     2.830378       0.3762897     196.7899 17.46109 200.0139 13.70729 -3.223999      22.19863 
1 1 1 7  5  56  o 80.63623 11.40587 0.4640716      0.1234546     0.5319345      0.1757396     0.3979541      0.1734649     85.41292 15.47035 73.27380 17.40310 12.13911       23.28518 
1 1 1 7  5  57  o 233.4168 8.850698 3.795885       0.2852644     3.761261       0.3771355     3.842184       0.4361092     231.2355 11.85132 233.0324 13.61238 -1.796844      18.04856 
1 1 1 7  5  58  o 306.5373 8.888015 6.548531       0.3762063     6.737860       0.4989673     6.299121       0.5726916     309.8965 11.66051 298.6424 13.88773 11.25412       18.13385 
1 1 1 7  5  59  o 77.61919 9.326988 0.4262050      0.9796360E-01 0.4418714      0.1394467     0.4109389      0.1376536     78.11584 13.41106 75.17953 13.76756 2.936310       19.21984 
1 1 1 7  5  60  o 131.4853 8.618325 1.209634       0.1556068     1.263425       0.2201163     1.155896       0.2200063     133.5586 12.06583 127.5385 12.65997 6.020180       17.48883 
1 1 1 7  5  61  o 133.9158 8.511185 1.254321       0.1565666     1.243949       0.2206057     1.264847       0.2222404     132.4663 12.19776 133.5882 12.18202 -1.121887      17.23911 
1 1 1 7  5  62  o 37.37357 11.35616 0.9859373E-01  0.6378339E-01 0.7074311E-01  0.8967261E-01 0.1271136      0.9074361E-01 36.02499 13.43714 42.76172 13.63306 -6.736729      19.14202 
1 1 1 7  5  63  o 121.9200 8.880758 1.042020       0.1484797     1.043617       0.2090553     1.040393       0.2109212     121.0742 12.69345 120.8429 12.83698 0.2313156      18.05303 
1 1 1 7  5  64  o 132.6117 8.803094 1.231655       0.1602803     1.189419       0.2257516     1.274586       0.2276008     129.2825 12.81481 133.9831 12.44444 -4.700592      17.86291 
1 1 1 7  5  65  o 126.8619 9.547175 1.130694       0.1660153     1.092497       0.2175350     1.183971       0.2569090     123.8040 12.91509 128.3398 14.76621 -4.535789      19.61735 
1 1 1 7  5  66  o 155.7009 10.08655 1.703480       0.2156901     1.618154       0.3048286     1.789034       0.3052356     150.1944 14.89461 158.2863 14.11347 -8.091965      20.51925 
1 1 1 7  5  67  o 76.63937 12.03879 0.4228869      0.1232014     0.3709151      0.2191330     0.4469076      0.1489763     70.50848 20.96530 78.23425 14.31822 -7.725761      25.38809 
1 1 1 7  5  68  o 79.82922 10.88786 0.4549926      0.1168867     0.4802153      0.1691158     0.4319231      0.1617367     80.76027 15.73084 76.47345 15.83767 4.286819       22.32243 
1 1 1 7  5  69  o 111.4913 9.597180 0.8754012      0.1463085     0.8861857      0.1973528     0.8622411      0.2180087     111.2593 13.09683 109.1804 14.84573 2.078903       19.79703 
1 1 1 7  5  70  o 139.8092 9.443247 1.372489       0.1812349     1.392161       0.2432423     1.347939       0.2717265     139.8705 12.73379 136.9798 14.59064 2.890686       19.36585 
1 1 1 7  5  71  o 248.1901 8.464380 4.296340       0.2900799     4.129767       0.4090894     4.464793       0.4113900     241.6831 12.29902 251.7950 11.83229 -10.11188      17.06660 
1 1 1 7  5  72  o 97.95882 9.574077 0.6774474      0.1278470     0.6779422      0.1809505     0.6769542      0.1806559     96.83373 13.93434 96.76582 13.92124 0.6790924E-01  19.69687 
1 1 1 7  5  73  o 181.5555 9.260088 2.310581       0.2313751     2.384603       0.3081947     2.214978       0.3502532     183.4299 12.23819 175.8149 14.55840 7.615021       19.01895 
1 1 1 7  5  74  o 112.9933 10.61357 0.9042206      0.1636562     0.9174969      0.2273683     0.8899477      0.2357488     112.4556 15.01758 110.4016 15.92505 2.053947       21.88915 
1 1 1 7  5  75  o 48.09160 12.89382 0.1695734      0.8737509E-01 0.1597278      0.1274848     0.1782952      0.1199896     48.28806 16.20648 49.92467 15.64766 -1.636616      22.52775 
1 1 1 7  5  76  o 115.4118 10.26764 0.9429304      0.1619195     0.9870883      0.2495915     0.9108407      0.2127688     116.1524 15.98551 112.2270 14.03711 3.925446       21.27385 
1 1 1 7  5  77  o 49.42349 15.06438 0.1771197      0.1121128     0.2366456      0.1524173     0.1069439      0.1654913     56.82281 17.60745 46.26165 18.00857 10.56116       25.18593 
1 1 1 7  5  78  o 118.0484 10.74932 0.9912145      0.1732983     0.9531716      0.2265086     1.044919       0.2691261     114.3125 14.68994 118.8007 16.88066 -4.488159      22.37747 
1 1 1 7  5  79  o 131.1986 9.380429 1.216594       0.1688169     1.281734       0.2406089     1.153435       0.2369202     133.1853 13.25957 126.0324 13.84184 7.152931       19.16801 
1 1 1 7  5  80  o 63.04439 11.96730 0.2921486      0.1003686     0.2589518      0.1440901     0.3234377      0.1398884     58.51842 16.89195 65.35220 15.69842 -6.833771      23.06032 
1 1 1 7  5  81  o 74.72031 12.40842 0.4100654      0.1235336     0.4229902      0.1766734     0.3977015      0.1727969     74.04269 17.54838 71.76295 17.57738 2.279739       24.83767 
1 1 1 7  5  82  o 116.8509 9.832288 0.9749145      0.1571699     0.9248528      0.2232950     1.024069       0.2212625     111.4832 14.87668 117.9336 13.85099 -6.450432      20.32647 
1 1 1 7  5  83  o 84.44556 11.20244 0.5194702      0.1274012     0.5304391      0.1814419     0.5088030      0.1789294     83.04935 16.40400 81.24419 16.51253 1.805153       23.27563 
1 1 1 7  5  84  o 99.79533 10.74171 0.7220522      0.1456888     0.6313380      0.2059084     0.8129899      0.2061619     90.03088 17.19021 103.8731 14.79148 -13.84219      22.67799 
1 1 1 7  5  85  o 59.39089 12.86665 0.2671859      0.1024669     0.3609699      0.1463323     0.1769615      0.1435285     67.99125 15.87475 49.33395 17.17818 18.65730       23.39012 
1 1 1 7  5  86  f 79.74754 11.79221 0.4713666      0.1259367     0.2805228      0.1773801     0.6653463      0.1788314     59.27633 19.07785 93.65153 14.28091 -34.37520      23.83084 
1 1 1 7  5  87  f 115.6023 11.17562 0.9779668      0.1761670     1.109074       0.2325031     0.8012351      0.2699440     121.1842 14.16165 98.25210 20.55759 22.93208       24.96331 
1 1 1 7  5  88  o 38.93129 15.91629 0.6389546E-01  0.1357811     0.3495550      0.2449142     -0.6286775E-01 0.1631497     64.53098 22.44131 34.41705 15.65865 30.11393       27.36432 
1 1 1 7  5  89  o 74.49311 16.30053 0.4410059      0.1630114     0.5007208      0.2852227     0.4120390      0.1986524     74.53760 24.21156 70.10928 19.70248 4.428314       31.21518 
1 1 1 7  5  90  o 90.04475 12.24620 0.6063786      0.1483143     0.5924911      0.1987442     0.6238326      0.2228087     85.85583 17.36104 86.91000 19.08841 -1.054169      25.80258 
1 1 1 7  5  91  o 80.08391 12.23214 0.4816193      0.1309742     0.5460382      0.1845876     0.4163023      0.1858699     82.68679 16.74121 70.82465 18.72180 11.86214       25.11521 
1 1 1 7  5  92  o 32.52018 13.25693 0.4065103E-01  0.9385701E-01 -0.3484547E-01 0.1301657     0.1224140      0.1354602     31.82156 14.27705 43.44723 16.44965 -11.62566      21.78131 
1 1 1 7  5  93  o 50.16235 14.63449 0.1959503      0.1076382     0.1770849      0.1506294     0.2156359      0.1538690     49.00946 17.54980 52.59151 17.80396 -3.582054      24.99953 
1 1 1 7  5  94  o 90.81218 12.58475 0.6194015      0.1535654     0.7526047      0.2067710     0.4555555      0.2293245     98.12754 15.79631 72.53671 21.41789 25.59083       26.61296 
1 1 1 7  5  95  o 121.3978 12.08706 1.095359       0.1999200     1.096858       0.2837260     1.093881       0.2817436     116.5458 18.22767 116.4979 18.10213 0.4787445E-01  25.68920 
1 1 1 7  5  96  o 147.0537 10.75927 1.584264       0.2169559     1.626536       0.3281099     1.551424       0.2892037     143.2284 16.91681 141.7841 14.99973 1.444321       22.60908 
1 1 1 7  5  97  f 68.49510 14.88085 0.3718025      0.1367177     0.5225984      0.2073317     0.2557839      0.1818589     78.42059 19.28183 55.90144 19.34366 22.51915       27.31238 
1 1 1 7  5  98  o 129.6302 12.08147 1.264499       0.2137627     1.258378       0.2984665     1.270945       0.3062979     123.4612 18.03999 123.5561 18.52415 -0.9488678E-01 25.85702 
1 1 1 7  5  99  o 44.29312 15.69296 0.1499693      0.1201356     0.1172749      0.1588871     0.1936097      0.1835678     43.35654 17.40064 49.92638 19.09002 -6.569843      25.83043 
1 1 1 7  5  100 o 57.86234 14.74431 0.2769895      0.1181429     0.2862002      0.1688709     0.2681596      0.1653434     56.62408 18.64139 55.07417 18.45679 1.549915       26.23269 
1 1 1 7  5  101 o 40.75188 14.71370 0.1288411      0.1061095     0.2382499      0.1532889     0.2818461E-01  0.1470298     51.67311 17.76622 35.67300 15.62751 16.00011       23.66131 
1 1 1 7  5  102 o 118.3701 10.91496 1.085378       0.1763934     1.322116       0.2526053     0.8600817      0.2464253     125.1657 14.90903 94.98566 19.44309 30.18003       24.50129 
1 1 1 7  5  103 o 63.93496 15.15708 0.3658733      0.1317741     0.6420807      0.1905423     0.1126690      0.1824354     82.79752 17.22704 40.83015 17.65158 41.96737       24.66473 
1 1 1 7  5  104 o 38.53852 14.81554 0.1291101      0.1109368     0.3075560      0.1618351     -0.2907136E-01 0.1523692     53.00896 18.25308 31.09085 14.49390 21.91811       23.30769 
1 1 1 7  5  105 o 85.46947 13.07238 0.6559272      0.1493740     0.9649379      0.2158674     0.3720274      0.2069107     97.34501 16.65851 51.20621 20.07996 46.13880       26.09044 
1 1 1 7  5  106 o 38.91117 15.13640 0.1716058      0.1168485     0.1173111      0.1594069     0.2346591      0.1717839     34.87461 15.70999 41.04988 17.42329 -6.175270      23.46006 
1 1 1 7  5  107 o 31.02597 13.77081 0.9790687E-01  0.1177326     0.1041192      0.1787609     0.9314804E-01  0.1564573     31.80461 15.09339 31.19129 14.58916 0.6133194      20.99176 
1 1 1 7  5  108 o 27.68025 12.94849 0.7867540E-01  0.1233093     0.2111263      0.2068895     0.5701409E-02  0.1535660     31.30432 15.20341 25.80173 12.65260 5.502590       19.77958 
1 1 1 7  5  109 o 29.15335 13.78643 0.2091564      0.1466226     -0.5306146E-01 0.2186252     0.4235086      0.1976665     23.47300 11.96339 32.63361 15.59437 -9.160618      19.65469 
1 1 1 7  5  110 o 16.48850 8.336419 -0.1077641     0.9236704E-01 -0.3632776     0.1469583     0.5908977E-01  0.1187559     16.22888 8.359852 21.34732 10.58978 -5.118448      13.49187 
1 1 1 7  5  111 o 19.80479 10.05406 0.1743855      0.1435253     0.1826594      0.2135026     0.1675636      0.1938663     18.90512 9.753257 18.96311 9.760133 -0.5799103E-01 13.79805 
1 1 1 7  5  112 o 15.59063 8.021728 0.5993940E-01  0.1293773     0.1552942      0.1934642     -0.1720410E-01 0.1740120     15.88446 8.236868 15.09547 7.827419 0.7889862      11.36285 
1 1 1 7  5  113 f 13.16645 6.823015 0.2661239E-01  0.1268581     0.7465724E-01  0.1867484     -0.1455394E-01 0.1728639     13.30480 6.920022 13.03183 6.776354 0.2729750      9.685333 
1 1 1 7  5  114 o 11.51686 5.990232 -0.1735933E-02 0.1414533     -0.3620235E-01 0.1856283     0.4599396E-01  0.2184446     11.48216 5.978724 11.62993 6.056875 -0.1477709     8.510633 
1 1 1 7  5  115 o 10.48525 5.458938 0.3310560      0.2298576     0.2218945      0.3473037     0.4161408      0.3066199     ?        ?        10.40419 5.410017 0.000000       5.410017 
1 1 1 7  5  116 o ?        ?        0.1402620      0.2580400     0.000000       0.000000      0.1402620      0.2580400     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  5  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  1   o 283.0811 24.03671 5.857032       0.9306749     5.857032       0.9306749     0.000000       0.000000      283.0811 24.03671 ?        ?        0.000000       24.03671 
1 1 1 7  6  2   o 247.0385 23.69407 4.461564       0.7983281     4.461564       0.7983281     0.000000       0.000000      247.0385 23.69407 ?        ?        0.000000       23.69407 
1 1 1 7  6  3   o 115.1630 24.37277 0.9968992      0.3754894     0.9968992      0.3754894     0.000000       0.000000      115.1630 24.37277 ?        ?        0.000000       24.37277 
1 1 1 7  6  4   o 263.4408 16.39865 4.925699       0.5935675     4.925699       0.5935675     0.000000       0.000000      263.4408 16.39865 ?        ?        0.000000       16.39865 
1 1 1 7  6  5   o 214.1225 13.20907 3.227004       0.3886395     3.412888       0.4757826     2.854288       0.6737147     219.3348 15.81563 196.3153 25.45236 23.01955       29.96593 
1 1 1 7  6  6   o 356.9536 13.41853 8.940019       0.6613856     8.229753       0.7991890     10.48366       1.178182      340.8442 16.98070 380.4759 22.52608 -39.63165      28.20937 
1 1 1 7  6  7   o 338.1757 13.34871 8.022492       0.6233324     7.963140       0.7611184     8.143382       1.086252      335.5619 16.42637 334.3838 23.67911 1.178101       28.81884 
1 1 1 7  6  8   o 208.6270 13.22980 3.063879       0.3791476     3.226633       0.4649064     2.740656       0.6551633     213.2225 15.90489 192.4479 25.26511 20.77460       29.85450 
1 1 1 7  6  9   o 129.1897 13.38055 1.182611       0.2352324     1.330938       0.2881968     0.8865550      0.4071601     136.5474 15.56313 107.7622 27.32409 28.78521       31.44546 
1 1 1 7  6  10  o 272.9570 13.19772 5.223734       0.4974291     5.018819       0.6064789     5.644925       0.8694971     265.8935 16.60150 278.7668 22.78785 -12.87323      28.19390 
1 1 1 7  6  11  o 171.0898 13.20899 2.063807       0.3096392     2.193055       0.3787671     1.803408       0.5376244     175.6350 15.78656 155.3073 25.98793 20.32770       30.40704 
1 1 1 7  6  12  o 204.9889 13.19212 2.957257       0.3714243     3.021157       0.4538145     2.827605       0.6464292     206.2705 16.05979 196.0231 24.41116 10.24744       29.22023 
1 1 1 7  6  13  o 189.2528 11.43613 2.509985       0.2974505     2.573638       0.4173711     2.444286       0.4240248     190.3088 16.03206 185.1871 16.76395 5.121750       23.19606 
1 1 1 7  6  14  f 205.4284 11.42038 2.955541       0.3226719     2.947667       0.4536831     2.963600       0.4590174     203.6826 16.26667 204.1823 16.41953 -0.4996796     23.11288 
1 1 1 7  6  15  o 319.9440 11.53193 7.148940       0.5094643     7.116368       0.7181818     7.181933       0.7228233     316.9447 16.46689 318.3903 16.49782 -1.445526      23.30958 
1 1 1 7  6  16  o 142.3906 11.51383 1.424740       0.2244434     1.270991       0.3152710     1.582735       0.3195949     132.8477 17.62153 149.0391 15.76916 -16.19131      23.64709 
1 1 1 7  6  17  o 85.25249 12.10105 0.5178073      0.1384536     0.4872555      0.1948451     0.5489673      0.1967750     81.40025 17.82853 86.68003 17.04788 -5.279785      24.66753 
1 1 1 7  6  18  o 101.9376 11.80368 0.7352941      0.1630720     0.7045410      0.2298661     0.7664531      0.2313785     98.35671 17.56988 102.8741 16.87361 -4.517426      24.36020 
1 1 1 7  6  19  o 195.1658 11.49350 2.668166       0.3083704     2.719469       0.4353662     2.616515       0.4368409     195.6516 16.26248 191.7526 16.66418 3.898941       23.28440 
1 1 1 7  6  20  o 438.2917 11.85371 13.42024       0.7173903     13.90567       1.019819      12.94472       1.009348      443.6243 16.64831 427.7593 17.08848 15.86493       23.85754 
1 1 1 7  6  21  o 345.7209 11.59053 8.344926       0.5533080     8.236194       0.7802579     8.454914       0.7847526     341.4931 16.54696 346.0557 16.42286 -4.562653      23.31335 
1 1 1 7  6  22  f 154.7167 11.52739 1.679763       0.2445000     1.622543       0.3444455     1.737876       0.3471206     150.6711 16.84413 156.1444 16.34172 -5.473282      23.46863 
1 1 1 7  6  23  o 200.1874 11.49152 2.805631       0.3163215     2.566218       0.4449572     3.050256       0.4497741     189.7993 17.16366 207.5104 15.81610 -17.71109      23.33967 
1 1 1 7  6  24  o 375.6954 11.67416 9.852458       0.6056190     10.03837       0.8580411     9.667898       0.8549166     377.1887 16.47447 370.0379 16.73168 7.150787       23.48100 
1 1 1 7  6  25  o 191.9332 11.48025 2.579053       0.3028604     2.531925       0.4272729     2.626641       0.4293534     188.7656 16.55980 192.3656 16.31791 -3.599976      23.24868 
1 1 1 7  6  26  o 165.8924 11.52930 1.928968       0.2624588     1.849320       0.3698569     2.009760       0.3725027     161.0362 16.88423 168.1348 16.24725 -7.098648      23.43183 
1 1 1 7  6  27  o 124.2114 11.71097 1.085870       0.1984886     1.023494       0.2805138     1.148416       0.2808970     119.1379 17.57986 126.6448 16.45138 -7.506859      24.07695 
1 1 1 7  6  28  o 166.6474 11.55359 1.946220       0.2642189     1.729549       0.3721756     2.166386       0.3751663     155.4817 17.64790 174.8069 15.71052 -19.32512      23.62771 
1 1 1 7  6  29  o 205.4669 11.51506 2.953502       0.3253816     2.860021       0.4594628     3.047552       0.4608584     200.7203 16.72998 207.4038 16.22128 -6.683502      23.30284 
1 1 1 7  6  30  o 207.2554 11.52461 3.004956       0.3285116     3.027189       0.4648408     2.982772       0.4643306     206.6464 16.42619 205.0800 16.53766 1.566406       23.30910 
1 1 1 7  6  31  o 82.79356 12.66848 0.4896988      0.1402238     0.4636642      0.1977004     0.5160550      0.1989180     79.39489 18.39397 83.94441 17.71760 -4.549522      25.53922 
1 1 1 7  6  32  o 72.23134 13.17073 0.3759717      0.1265229     0.4726796      0.1784804     0.2782824      0.1793838     80.48527 16.61050 62.43253 19.06100 18.05274       25.28300 
1 1 1 7  6  33  o 71.44484 13.05057 0.3677817      0.1240031     0.3383417      0.1762979     0.3966079      0.1744505     67.98300 18.35250 73.50863 17.44820 -5.525627      25.32299 
1 1 1 7  6  34  o 42.85606 13.27240 0.1281025      0.8661779E-01 0.7779749E-01  0.1235065     0.1767943      0.1215100     40.57968 15.62397 50.30906 15.74296 -9.729378      22.17993 
1 1 1 7  6  35  o 140.3369 11.75976 1.383493       0.2257803     1.347434       0.3194948     1.419465       0.3191086     137.1384 17.25395 140.9574 16.72112 -3.819000      24.02696 
1 1 1 7  6  36  o 202.8027 11.59568 2.878044       0.3233714     2.698406       0.4563537     3.059206       0.4582849     194.8044 17.13992 207.8507 16.09327 -13.04630      23.51106 
1 1 1 7  6  37  o 150.5488 11.79850 1.591139       0.2433056     1.465262       0.3439940     1.717152       0.3441783     142.9047 17.81999 155.3125 16.29128 -12.40779      24.14452 
1 1 1 7  6  38  o 282.7188 13.55946 5.598289       0.5293404     5.039876       0.9124219     5.881585       0.6498877     262.5095 25.49319 288.4050 16.38678 -25.89548      30.30560 
1 1 1 7  6  39  o 159.2252 13.82246 1.789743       0.3008876     1.779951       0.5258807     1.794509       0.3668724     154.8888 25.47420 158.5521 17.02385 -3.663330      30.63897 
1 1 1 7  6  40  o 301.2708 16.74195 6.427700       0.6937215     5.331024       0.9718705     7.566907       0.9905367     269.2245 26.48584 323.9045 22.28259 -54.68005      34.61233 
1 1 1 7  6  41  o 124.8520 11.85299 1.098229       0.2018937     1.067090       0.2343738     1.187803       0.3975084     122.5421 14.10873 126.4597 23.63339 -3.917564      27.52441 
1 1 1 7  6  42  f 192.3422 11.67854 2.593278       0.3087029     2.666034       0.4314667     2.516973       0.4418626     193.6759 16.28484 187.8269 17.22897 5.849091       23.70724 
1 1 1 7  6  43  o 135.6975 10.73792 1.292091       0.1995576     1.146372       0.3108787     1.394216       0.2602555     125.7616 18.45080 140.3320 13.60165 -14.57047      22.92241 
1 1 1 7  6  44  o 206.9761 10.42260 2.994122       0.2969204     2.884374       0.4646936     3.069843       0.3859917     201.1575 16.88610 208.7431 13.46325 -7.585571      21.59628 
1 1 1 7  6  45  o 193.1157 9.488462 2.596445       0.2530180     2.642648       0.3578427     2.550252       0.3578002     193.5651 13.47233 190.0598 13.72598 3.505234       19.23295 
1 1 1 7  6  46  o 212.7603 9.480842 3.152297       0.2785322     3.203999       0.3937590     3.100519       0.3940494     213.1768 13.44570 209.6124 13.68949 3.564438       19.18825 
1 1 1 7  6  47  o 91.71156 10.49749 0.5944454      0.1305431     0.5437144      0.1842434     0.6455885      0.1849904     86.35639 16.04164 94.66469 14.62341 -8.308296      21.70664 
1 1 1 7  6  48  o 225.8223 10.46117 3.560443       0.3262008     3.473558       0.5168180     3.617976       0.4205551     220.4009 17.11615 226.4193 13.51313 -6.018326      21.80751 
1 1 1 7  6  49  o 126.1160 10.97539 1.120306       0.1892241     1.127091       0.3005608     1.115851       0.2435494     124.4830 18.00912 124.9920 14.37291 -0.5089722     23.04146 
1 1 1 7  6  50  o 69.10125 11.33401 0.3427208      0.1043947     0.3794729      0.1459616     0.3042319      0.1493703     71.94020 15.17123 64.21283 16.69195 7.727371       22.55632 
1 1 1 7  6  51  o 119.4120 9.987867 1.002435       0.1631745     1.002314       0.2293381     1.002559       0.2322159     118.3031 14.33160 118.2611 14.52580 0.4203033E-01  20.40573 
1 1 1 7  6  52  o 83.34704 10.81232 0.4939721      0.1215043     0.4104794      0.1702040     0.5807393      0.1735098     74.45657 16.93697 89.54758 14.53043 -15.09102      22.31579 
1 1 1 7  6  53  o 71.21177 11.40428 0.3640298      0.1083549     0.5140082      0.1526252     0.2116221      0.1538563     84.36900 13.56036 54.93234 17.77707 29.43666       22.35861 
1 1 1 7  6  54  o 78.27090 11.07470 0.4373918      0.1163522     0.5119521      0.1638714     0.3615894      0.1652308     83.88024 14.68328 69.77320 17.24809 14.10704       22.65161 
1 1 1 7  6  55  o 183.5515 9.713196 2.359712       0.2453068     2.296151       0.3473133     2.422984       0.3465207     179.6405 14.11532 184.7253 13.68246 -5.084763      19.65838 
1 1 1 7  6  56  o 31.40993 10.73777 0.6359368E-01  0.5597419E-01 0.1102232E-01  0.8037962E-01 0.1130898      0.7799324E-01 28.76803 12.04770 40.23207 12.61650 -11.46404      17.44485 
1 1 1 7  6  57  o 107.2821 10.44275 0.8128945      0.1527354     0.7667629      0.2181337     0.8572643      0.2139285     102.6629 15.90181 109.0882 14.56596 -6.425331      21.56466 
1 1 1 7  6  58  o 114.1078 10.33148 0.9184191      0.1610202     0.7547754      0.2287371     1.079176       0.2267104     101.4938 16.91695 122.8780 13.58908 -21.38427      21.69899 
1 1 1 7  6  59  o 275.6543 9.669302 5.309934       0.3680424     5.317195       0.5208224     5.302691       0.5201594     273.8107 13.81994 273.4352 13.82150 0.3754883      19.54545 
1 1 1 7  6  60  o 163.5690 11.05859 1.885115       0.2483018     1.808053       0.3158365     2.009820       0.4017778     159.0141 14.54542 166.3641 17.76462 -7.349976      22.95976 
1 1 1 7  6  61  o 129.9166 11.39353 1.194119       0.2023262     1.173217       0.2557056     1.229115       0.3308704     127.7304 14.77044 129.1117 19.13852 -1.381294      24.17537 
1 1 1 7  6  62  o 127.7010 10.29387 1.149134       0.1799727     1.101022       0.2514465     1.199672       0.2577086     123.5736 15.04670 129.1765 14.71036 -5.602905      21.04276 
1 1 1 7  6  63  o 90.29253 12.56545 0.5852969      0.1524171     0.5076752      0.2389884     0.6385140      0.1978837     81.78177 21.04171 93.38731 15.91632 -11.60555      26.38338 
1 1 1 7  6  64  o 63.97561 15.05729 0.3026110      0.1308026     0.3279820      0.1919596     0.2806201      0.1787153     66.47105 19.58662 61.97260 19.04342 4.498451       27.31826 
1 1 1 7  6  65  o 164.8489 11.03222 1.916255       0.2496737     1.939322       0.3267631     1.883897       0.3870194     164.6005 14.52586 160.8455 17.71950 3.754959       22.91247 
1 1 1 7  6  66  o 33.62975 12.70826 0.5882484E-01  0.8075031E-01 0.7047615E-01  0.1108787     0.4566573E-01  0.1178349     38.27780 14.78514 36.92139 14.92605 1.356403       21.00922 
1 1 1 7  6  67  o 169.7866 10.20837 2.026919       0.2382181     2.051883       0.3362726     2.001770       0.3375134     169.2889 14.52621 167.0901 14.78107 2.198792       20.72416 
1 1 1 7  6  68  o 120.8085 12.19321 1.039157       0.2006183     0.9428832      0.2572643     1.188549       0.3204708     113.4291 16.94493 126.7922 18.88046 -13.36312      25.36932 
1 1 1 7  6  69  o 117.9293 13.72927 0.9993002      0.2193821     1.001697       0.3005286     0.9965664      0.3209872     115.8936 19.47011 114.9310 20.99996 0.9625473      28.63710 
1 1 1 7  6  70  f 113.4549 10.81167 0.9124725      0.1673277     0.8013735      0.2260378     1.047163       0.2488825     104.5679 16.17698 120.1198 15.35672 -15.55190      22.30523 
1 1 1 7  6  71  o 113.5593 10.55686 0.9136487      0.1636420     0.9445652      0.2206547     0.8758618      0.2439432     114.3045 14.29257 109.1190 16.72325 5.185493       21.99874 
1 1 1 7  6  72  o 124.4363 9.922991 1.093390       0.1690837     0.9965547      0.2595145     1.164818       0.2228845     116.4563 16.60898 127.5377 12.83033 -11.08145      20.98750 
1 1 1 7  6  73  o 127.7799 9.933717 1.153814       0.1738943     1.165872       0.2668688     1.144918       0.2292444     126.3739 15.62632 126.1268 13.36666 0.2471542      20.56331 
1 1 1 7  6  74  o 81.09669 11.80369 0.4751305      0.1282998     0.4300536      0.1646374     0.5448371      0.2047335     75.71734 16.23431 84.80058 18.03901 -9.083244      24.26847 
1 1 1 7  6  75  o 76.48441 12.44900 0.4267212      0.1269533     0.5189741      0.1660570     0.2969532      0.1969479     83.65713 14.92258 62.95840 20.08582 20.69872       25.02246 
1 1 1 7  6  76  o 86.21356 10.71425 0.5341572      0.1247979     0.4847191      0.1828361     0.5772822      0.1707636     79.80612 17.10570 88.32703 14.50479 -8.520905      22.42752 
1 1 1 7  6  77  o 70.70821 12.20829 0.3671771      0.1148875     0.4705152      0.1680570     0.2765115      0.1574156     78.82841 15.98649 60.19752 17.73661 18.63089       23.87792 
1 1 1 7  6  78  o 135.3872 9.756945 1.305162       0.1811793     1.390689       0.2679761     1.233148       0.2458976     137.4373 14.33141 129.5490 13.96706 7.888275       20.01170 
1 1 1 7  6  79  o 39.22740 13.83860 0.1018473      0.9332497E-01 0.9582482E-01  0.1339254     0.1075324      0.1301197     41.93743 16.23507 42.63382 16.12682 -0.6963921     22.88344 
1 1 1 7  6  80  o 65.07062 13.65638 0.3204321      0.1187926     0.2935839      0.1731575     0.3443028      0.1632739     61.09786 18.74005 66.08937 17.58371 -4.991508      25.69779 
1 1 1 7  6  81  o 136.7458 9.871351 1.342599       0.1851398     1.375559       0.2749771     1.315268       0.2503998     135.1515 14.98691 132.9302 13.84497 2.221298       20.40320 
1 1 1 7  6  82  o 49.01010 13.83170 0.1834811      0.9768881E-01 0.2460305      0.1419561     0.1272130      0.1346398     56.02054 16.92365 44.24810 16.47280 11.77245       23.61701 
1 1 1 7  6  83  o 100.1073 11.64123 0.7379177      0.1579125     0.7409396      0.2138849     0.7342966      0.2341297     97.43916 16.48470 95.69753 18.38627 1.741638       24.69413 
1 1 1 7  6  84  o 56.89542 11.73348 0.2439481      0.8911960E-01 -0.1748400     0.1681609     0.4075091      0.1050915     30.57849 14.54856 74.48078 10.51060 -43.90229      17.94808 
1 1 1 7  6  85  o 70.80111 14.89397 0.3907045      0.1409953     0.2199113      0.2692627     0.4552262      0.1654986     56.73895 22.69428 75.78257 16.29958 -19.04362      27.94113 
1 1 1 7  6  86  o 116.9030 11.41482 1.006341       0.1819097     0.9835683      0.2617745     1.027608       0.2529697     111.0224 17.66776 114.4862 16.47676 -3.463799      24.15851 
1 1 1 7  6  87  o 51.29989 14.25641 0.2050386      0.1046185     0.3732090      0.1429734     0.1121369E-01  0.1534918     68.75627 15.43741 37.09573 16.11383 31.66054       22.31522 
1 1 1 7  6  88  o 30.54348 12.01913 0.4498659E-01  0.7437284E-01 0.4899698E-01  0.1013849     0.4031415E-01  0.1094339     34.13342 13.82890 34.30789 14.18577 -0.1744728     19.81097 
1 1 1 7  6  89  o 70.56618 12.22631 0.3756352      0.1148164     0.2362800      0.1604766     0.5217851      0.1643423     54.57045 18.18215 81.81395 15.10376 -27.24350      23.63714 
1 1 1 7  6  90  o 78.67571 11.88075 0.4627787      0.1250484     0.4561316      0.1755972     0.4696182      0.1781200     75.11828 17.28782 76.22934 17.31621 -1.111061      24.46876 
1 1 1 7  6  91  o 59.81252 14.49592 0.2802620      0.1184714     0.3429160      0.1672656     0.2171895      0.1678234     64.62866 18.04985 52.99869 18.56841 11.62997       25.89562 
1 1 1 7  6  92  o 205.2587 10.45224 3.064860       0.2952635     3.168585       0.4157371     2.959291       0.4194186     203.4876 14.89954 195.6436 15.65662 7.844009       21.61310 
1 1 1 7  6  93  o 136.2178 10.54082 1.357787       0.1967217     1.409938       0.2934411     1.315216       0.2651223     133.9211 16.19766 130.4187 14.99490 3.502411       22.07286 
1 1 1 7  6  94  o 186.3116 10.05176 2.530206       0.2576380     2.465951       0.3913311     2.579364       0.3422851     176.6948 16.22028 184.2223 13.55087 -7.527512      21.13583 
1 1 1 7  6  95  o 83.03575 16.12493 0.5585533      0.1782197     0.5519528      0.2581109     0.5645674      0.2463796     76.85918 22.73043 78.56339 21.89405 -1.704208      31.55981 
1 1 1 7  6  96  o 161.5102 11.28577 1.956287       0.2501097     1.971728       0.3444123     1.939058       0.3638006     155.7902 16.24948 152.5985 17.58722 3.191711       23.94485 
1 1 1 7  6  97  o 58.68436 15.12711 0.2872387      0.1233562     0.1529408      0.1795788     0.4072250      0.1697407     46.13967 18.50558 67.97305 17.85425 -21.83338      25.71441 
1 1 1 7  6  98  o 43.11214 14.86551 0.1507933      0.1073573     0.2262391      0.1504364     0.7249355E-01  0.1532552     50.59432 17.58842 38.79683 16.46134 11.79749       24.09000 
1 1 1 7  6  99  o 38.72128 14.36007 0.1157875      0.1021245     0.1617081      0.1437480     0.6899047E-01  0.1451135     44.05185 16.88138 37.36728 15.94094 6.684570       23.21841 
1 1 1 7  6  100 o 42.54557 14.81516 0.1580182      0.1067577     0.3517893      0.1520687     -0.3029249E-01 0.1499107     60.27933 17.33972 31.73635 14.64946 28.54298       22.69961 
1 1 1 7  6  101 o 51.43080 14.99019 0.2494611      0.1129824     0.4067133      0.1608152     0.9618914E-01  0.1587670     62.66759 17.76787 37.68784 16.37973 24.97976       24.16594 
1 1 1 7  6  102 o 56.08554 14.98170 0.3101998      0.1182235     0.4457734      0.1690965     0.1805624      0.1653530     62.21798 18.39737 41.05605 17.24119 21.16193       25.21353 
1 1 1 7  6  103 o 58.91976 16.02900 0.3856460      0.1338733     0.3467227      0.1790728     0.4349627      0.2015683     48.33854 18.75636 51.94508 19.97032 -3.606533      27.39735 
1 1 1 7  6  104 o 33.72916 14.97166 0.1373629      0.1391843     0.7696612E-01  0.2320407     0.1713056      0.1739522     32.10287 15.70257 34.93300 15.99824 -2.830132      22.41683 
1 1 1 7  6  105 o 39.53701 16.55318 0.3058131      0.1516830     0.6084046      0.2549574     0.1400347      0.1887135     41.30960 19.08114 30.45735 14.72718 10.85226       24.10352 
1 1 1 7  6  106 o 12.63582 6.465898 -0.2413882     0.6971956E-01 -0.3067677     0.1365653     -0.2183415     0.8108200E-01 17.85264 9.128544 14.43503 7.350412 3.417609       11.72002 
1 1 1 7  6  107 o 22.55959 11.20070 0.7961316E-01  0.1339639     0.1331951      0.2115497     0.4374187E-01  0.1730918     22.98963 11.72152 21.93213 11.12435 1.057491       16.15999 
1 1 1 7  6  108 o 16.99018 8.652583 -0.5489777E-01 0.1126187     -0.9818092E-01 0.1851456     -0.2947824E-01 0.1418854     17.78668 9.172235 17.88818 9.158894 -0.1014919     12.96207 
1 1 1 7  6  109 o 16.71723 8.583352 0.1015643      0.1344110     0.2832614E-01  0.2095748     0.1527392      0.1751859     16.03377 8.320544 16.77997 8.663863 -0.7462063     12.01224 
1 1 1 7  6  110 o 13.34267 6.888515 -0.1577632E-01 0.1102335     -0.2515613     0.1806676     0.1240584      0.1391329     12.85194 6.686045 14.30326 7.403658 -1.451316      9.975839 
1 1 1 7  6  111 o 12.37794 6.435540 0.9252499E-01  0.1520706     -0.1035899     0.2039446     0.3380990      0.2282170     11.90802 6.200768 12.64062 6.582322 -0.7325993     9.043035 
1 1 1 7  6  112 o 10.77936 5.613677 0.7869679E-01  0.1803243     0.5287568E-01  0.2886198     0.9522979E-01  0.2309481     10.70530 5.569773 10.75816 5.601897 -0.5286121E-01 7.899596 
1 1 1 7  6  113 o 9.499306 4.942068 0.3875010      0.2335810     0.5364205      0.3530772     0.2715999      0.3114854     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  6  114 o ?        ?        0.1532115      0.2507483     0.000000       0.000000      0.1532115      0.2507483     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  6  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  0   o 106.1889 19.09602 0.8591301      0.2530775     0.7143998      0.3624826     0.9967744      0.3534977     86.44289 32.48884 110.6474 26.68582 0.000000       0.000000 
1 1 1 7  7  1   o 192.2585 13.45241 2.600244       0.3548773     3.166997       0.4398520     1.543325       0.6006625     211.7697 15.14186 141.6841 31.51627 70.08557       34.96500 
1 1 1 7  7  2   o 228.7444 13.29333 3.674314       0.4180663     3.453283       0.5109828     4.121834       0.7270861     220.5877 16.90458 238.8112 22.30756 -18.22345      27.98914 
1 1 1 7  7  3   o 383.7303 13.51164 10.31146       0.7159327     10.42264       0.8779845     10.09083       1.236800      384.4467 16.53913 373.2253 24.12798 11.22150       29.25239 
1 1 1 7  7  4   o 181.0426 13.47258 2.307099       0.3343866     2.595137       0.4118812     1.750194       0.5727140     191.4301 15.72087 152.5067 28.23628 38.92342       32.31769 
1 1 1 7  7  5   o 265.6136 11.50552 4.921229       0.4219826     4.529566       0.4841478     6.159349       0.8608024     253.8791 13.86306 292.7773 21.44171 -38.89818      25.53295 
1 1 1 7  7  6   o 315.7910 11.59318 6.957190       0.5055225     6.868019       0.5826654     7.228651       1.016623      313.1920 13.47320 316.1075 23.45826 -2.915497      27.05211 
1 1 1 7  7  7   o 168.0393 11.66837 1.979323       0.2690659     2.104544       0.3113430     1.609874       0.5347839     172.9575 13.13463 146.4517 27.45382 26.50578       30.43404 
1 1 1 7  7  8   o 137.9167 11.62591 1.336092       0.2193378     1.168945       0.2522382     1.854382       0.4441687     128.3045 14.49135 160.1056 20.56661 -31.80104      25.15919 
1 1 1 7  7  9   o 107.2958 13.71365 0.8188524      0.1985287     0.9549266      0.2425209     0.5424386      0.3456537     115.5408 15.59996 86.00788 26.49319 29.53291       30.74489 
1 1 1 7  7  10  o 214.0527 13.25222 3.217974       0.3897683     3.478876       0.4781882     2.701507       0.6727927     221.8459 15.71187 191.3491 26.14776 30.49678       30.50522 
1 1 1 7  7  11  o 338.0586 13.38364 7.999201       0.6247472     8.037256       0.7644832     7.922687       1.084004      337.7131 16.39389 330.8057 23.89194 6.907379       28.97558 
1 1 1 7  7  12  o 353.1588 13.44091 8.730582       0.6554457     8.218080       0.7956983     9.812387       1.156044      341.2868 16.88461 369.0660 22.79627 -27.77924      28.36829 
1 1 1 7  7  13  o 182.3212 13.28617 2.337892       0.3321818     2.424368       0.4063518     2.163691       0.5767384     184.9077 16.07505 171.3876 25.11555 13.52008       29.81943 
1 1 1 7  7  14  o 90.52026 12.18672 0.5820794      0.1484540     0.8189589      0.2080187     0.3362145      0.2119272     107.1445 14.42703 68.32550 20.68642 38.81895       25.22038 
1 1 1 7  7  15  o 236.0186 11.46426 3.884675       0.3736199     3.499684       0.5219628     4.289195       0.5350366     222.0339 17.15795 246.4220 15.80749 -24.38805      23.32964 
1 1 1 7  7  16  o 136.9196 11.61535 1.316762       0.2175304     1.558783       0.3071755     1.073289       0.3080954     148.2108 15.22601 121.6993 18.95095 26.51152       24.30987 
1 1 1 7  7  17  o 203.8623 11.45661 2.906936       0.3211934     2.939528       0.4531129     2.874018       0.4553677     203.6910 16.24514 201.3060 16.52790 2.385071       23.17491 
1 1 1 7  7  18  o 73.93308 12.66344 0.3923723      0.1246289     0.4027867      0.1746106     0.3815569      0.1779402     74.09235 17.36917 72.07063 17.94844 2.021721       24.97668 
1 1 1 7  7  19  o 100.7676 12.02716 0.7184969      0.1640419     0.7350012      0.2303043     0.7015002      0.2337138     100.7371 17.17257 98.17802 17.89931 2.559097       24.80488 
1 1 1 7  7  20  o 117.0017 11.76362 0.9644008      0.1874760     1.064721       0.2649046     0.8637372      0.2653582     121.9867 16.12175 109.1082 18.25830 12.87844       24.35726 
1 1 1 7  7  21  o 302.3566 11.54378 6.375762       0.4819538     6.118692       0.6779699     6.638389       0.6852596     294.1196 16.76296 306.6132 16.24342 -12.49356      23.34193 
1 1 1 7  7  22  o 292.7527 11.53215 5.977321       0.4661754     5.976953       0.6579351     5.977692       0.6606161     290.7972 16.45278 290.7863 16.52088 0.1083374E-01  23.31595 
1 1 1 7  7  23  o 164.6270 11.58384 1.899448       0.2616465     1.755638       0.3680242     2.046425       0.3720568     156.7940 17.28571 169.7806 16.06104 -12.98665      23.59561 
1 1 1 7  7  24  o 331.2138 11.61252 7.652333       0.5310958     8.025576       0.7537710     7.284368       0.7484232     337.5761 16.17073 320.8835 16.95140 16.69260       23.42739 
1 1 1 7  7  25  o 398.3893 11.78893 11.07573       0.6485149     10.90676       0.9130450     11.24776       0.9212876     393.1782 16.81763 399.3328 16.70791 -6.154663      23.70627 
1 1 1 7  7  26  o 141.7584 11.70224 1.411436       0.2270157     1.405889       0.3197349     1.417075       0.3223789     140.2187 16.85124 140.7620 16.92535 -0.5432281     23.88371 
1 1 1 7  7  27  o 321.0574 13.47633 7.217948       0.5974370     7.438040       0.7324125     6.780292       1.032807      324.4347 16.40221 305.3000 24.71129 19.13470       29.65940 
1 1 1 7  7  28  o 81.23180 15.00717 0.4776788      0.1621298     0.5138291      0.1962554     0.3999814      0.2877192     83.77294 17.52897 75.10622 24.31058 8.666725       29.97114 
1 1 1 7  7  29  o 463.5102 17.29244 15.18867       1.106760      13.19051       1.524721      17.41404       1.609075      424.9598 26.11033 491.2592 23.72071 -66.29944      35.27636 
1 1 1 7  7  30  o 99.07997 25.47519 0.7397617      0.3504730     0.000000       0.000000      0.7397617      0.3504730     ?        ?        99.07997 25.47519 0.000000       25.47519 
1 1 1 7  7  31  o 178.5332 24.58408 2.346551       0.5899804     0.000000       0.000000      2.346551       0.5899804     ?        ?        178.5332 24.58408 0.000000       24.58408 
1 1 1 7  7  32  o 240.4898 23.73862 4.217567       0.7780107     0.000000       0.000000      4.217567       0.7780107     ?        ?        240.4898 23.73862 0.000000       23.73862 
1 1 1 7  7  33  o 60.52190 17.18565 0.2662226      0.1503303     0.3638325      0.2114452     0.1664525      0.2137721     70.51899 20.49351 55.07480 20.70660 15.44419       29.13327 
1 1 1 7  7  34  o 87.47095 14.71093 0.5522135      0.1713749     0.7044821      0.2123363     0.2676853      0.2902565     98.68520 16.14051 66.25481 24.27165 32.43039       29.14840 
1 1 1 7  7  35  o 47.10925 13.61203 0.1591903      0.9352502E-01 0.1311199      0.1308538     0.1885045      0.1337215     46.09032 16.37287 52.00422 16.54635 -5.913906      23.27772 
1 1 1 7  7  36  o 85.05102 12.97144 0.5182143      0.1475154     0.4615897      0.2075134     0.5760611      0.2097409     78.90678 19.22287 88.58879 17.76442 -9.682007      26.17429 
1 1 1 7  7  37  o 182.4132 11.77606 2.336811       0.2950316     2.033571       0.4153510     2.645623       0.4191504     168.1202 18.18152 192.8529 15.88123 -24.73267      24.14086 
1 1 1 7  7  38  o 95.46044 12.72541 0.6497293      0.1635608     0.5827040      0.2301868     0.7180787      0.2324497     88.66667 19.34504 99.14238 17.62560 -10.47571      26.17044 
1 1 1 7  7  39  o 231.9314 11.68531 3.773777       0.3730277     3.620193       0.5263965     3.928703       0.5286928     225.1408 17.05922 234.8740 16.40463 -9.733200      23.66704 
1 1 1 7  7  40  o 104.7028 12.47264 0.7792906      0.1767758     0.8001900      0.2500467     0.7584073      0.2499507     104.6002 17.95904 101.6057 18.49697 2.994476       25.78110 
1 1 1 7  7  41  o 156.8189 11.93122 1.733025       0.2564196     1.644210       0.3617808     1.822680       0.3634894     150.9049 17.69825 159.3162 16.77527 -8.411316      24.38520 
1 1 1 7  7  42  o 152.4600 11.92115 1.639186       0.2489669     1.545657       0.3515926     1.733248       0.3525944     146.1536 17.78865 155.2777 16.70774 -9.124115      24.40460 
1 1 1 7  7  43  o 50.87962 14.46137 0.1877148      0.1063949     0.1775736      0.1510397     0.1977031      0.1498970     51.64120 17.63874 53.48543 17.56076 -1.844231      24.88986 
1 1 1 7  7  44  o 55.69119 14.49268 0.2273861      0.1125216     0.2336749      0.1597321     0.2211912      0.1585337     57.29208 18.06879 56.06523 18.03501 1.226849       25.52925 
1 1 1 7  7  45  o 46.79037 14.41109 0.1551263      0.1022780     0.1231552      0.1445728     0.1871595      0.1447132     46.26777 17.10025 52.18384 17.26030 -5.916069      24.29684 
1 1 1 7  7  46  o 100.7762 11.53413 0.7211719      0.1576115     0.8360629      0.2535470     0.6488162      0.2012111     106.7485 17.83010 94.30524 16.02520 12.44331       23.97331 
1 1 1 7  7  47  o 116.1084 10.05157 0.9490023      0.1595622     0.9433810      0.2249163     0.9546982      0.2264010     114.5810 14.54327 115.2740 14.54752 -0.6929855     20.57029 
1 1 1 7  7  48  f 315.5369 9.622266 6.952853       0.4192427     6.886030       0.5907636     7.020650       0.5950571     312.2014 13.70380 315.2561 13.66964 -3.054779      19.35596 
1 1 1 7  7  49  o 181.9614 9.693026 2.319106       0.2426656     2.148698       0.3411225     2.493690       0.3452771     173.6445 14.35567 187.5013 13.42483 -13.85683      19.65481 
1 1 1 7  7  50  o 196.0266 9.628942 2.684055       0.2606343     2.925554       0.3691706     2.444062       0.3680173     203.2151 13.22836 185.1825 14.50835 18.03268       19.63369 
1 1 1 7  7  51  o 83.80145 10.69538 0.4995095      0.1209392     0.6184565      0.1711949     0.3810088      0.1708733     92.58747 13.81324 71.53808 17.45306 21.04939       22.25792 
1 1 1 7  7  52  o 93.36111 10.48615 0.6176165      0.1328444     0.6351095      0.1869204     0.5997633      0.1888348     93.50243 14.98356 90.60866 15.65938 2.893776       21.67310 
1 1 1 7  7  53  o 117.5462 10.07155 0.9733294      0.1618931     1.022228       0.2277059     0.9233463      0.2302177     119.3878 14.08373 113.0650 15.12499 6.322807       20.66680 
1 1 1 7  7  54  o 99.77601 11.91411 0.7095187      0.1608980     0.6641963      0.2034487     0.7852008      0.2629026     95.31002 16.02772 102.7059 19.24509 -7.395920      25.04518 
1 1 1 7  7  55  o 121.9789 11.29574 1.053204       0.1880959     1.035203       0.2384495     1.082857       0.3060399     119.9103 14.70980 121.1390 18.91413 -1.228729      23.96085 
1 1 1 7  7  56  f 291.9966 9.671683 5.961134       0.3899580     6.203397       0.5529146     5.721362       0.5500642     296.1081 13.52290 284.1135 14.02115 11.99466       19.47977 
1 1 1 7  7  57  o 54.12899 13.19212 0.2151424      0.9770162E-01 0.2090375      0.1376750     0.2213360      0.1386723     53.96166 16.73649 55.26709 16.73366 -1.305431      23.66697 
1 1 1 7  7  58  o 72.49825 13.48803 0.3830903      0.1300556     0.2613435      0.2015910     0.4698901      0.1702165     60.99644 20.38003 79.79524 16.00537 -18.79881      25.91365 
1 1 1 7  7  59  o 80.98165 13.73104 0.4764538      0.1480568     0.4109264      0.2166164     0.5339062      0.2028307     73.83243 20.51256 84.61155 17.91842 -10.77912      27.23665 
1 1 1 7  7  60  o 187.1313 10.80019 2.465073       0.2778856     2.559907       0.3648456     2.334050       0.4288451     189.4698 14.04541 179.2825 17.54805 10.18738       22.47682 
1 1 1 7  7  61  o 123.6467 12.74266 1.090407       0.2144437     1.114766       0.2542835     1.030420       0.3990368     124.2400 15.13519 114.9446 25.77703 9.295387       29.89196 
1 1 1 7  7  62  o 164.0029 11.17108 1.898578       0.2514721     1.878101       0.3241419     1.929535       0.3985495     161.8465 14.66342 162.5481 18.06213 -0.7015839     23.26492 
1 1 1 7  7  63  o 82.15979 13.24807 0.4891276      0.1451851     0.4703595      0.1971999     0.5113414      0.2145396     79.12010 18.39826 82.32492 19.22181 -3.204819      26.60777 
1 1 1 7  7  64  o 40.18094 13.98273 0.1039871      0.9509031E-01 0.6452411E-01  0.1415806     0.1364177      0.1283472     41.01554 16.43818 46.06273 16.23108 -5.047184      23.10112 
1 1 1 7  7  65  o 108.9157 12.12607 0.8473204      0.1792720     0.8271502      0.2739864     0.8624204      0.2370613     104.9135 19.63468 108.4808 16.33235 -3.567345      25.53950 
1 1 1 7  7  66  o 99.51669 11.28584 0.7061782      0.1523420     0.8023200      0.2169532     0.6126657      0.2139662     104.8039 15.45559 90.54720 17.74776 14.25674       23.53419 
1 1 1 7  7  67  o 48.44640 15.17061 0.1679209      0.1128134     0.4393795E-01  0.2056262     0.2213094      0.1349341     45.86136 19.24113 54.94179 16.47779 -9.080429      25.33256 
1 1 1 7  7  68  o 324.1302 10.98972 7.411274       0.4918629     8.433726       0.8015750     6.793787       0.6229259     340.2836 17.11406 307.7929 14.65682 32.49063       22.53250 
1 1 1 7  7  69  o 64.03164 17.56295 0.3096951      0.1599522     0.3814564      0.2572564     0.2644693      0.2042274     70.93594 22.99041 60.68800 20.51169 10.24793       30.81053 
1 1 1 7  7  70  o 135.7167 11.70110 1.316902       0.2171364     1.183958       0.2861561     1.497344       0.3333796     126.3567 16.81861 142.0011 17.36413 -15.64433      24.17393 
1 1 1 7  7  71  o 58.70727 14.50344 0.2587101      0.1168845     0.7609789E-01  0.1589305     0.4738405      0.1725016     43.10962 17.36719 79.21438 16.31395 -36.10476      23.82780 
1 1 1 7  7  72  o 256.4063 12.04998 4.701838       0.4266314     4.348655       0.5993132     5.064693       0.6074652     240.8393 18.15489 261.3253 16.92552 -20.48595      24.82082 
1 1 1 7  7  73  o 30.37623 12.74317 0.1589208E-01  0.9017923E-01 0.2017072      0.1262236     -0.1778364     0.1288833     51.99971 16.00843 25.76500 12.38599 26.23472       20.24062 
1 1 1 7  7  74  o 144.3430 12.81818 1.518421       0.2528234     1.577269       0.3563499     1.458775       0.3587546     143.2885 18.43837 136.9278 19.52760 6.360718       26.85704 
1 1 1 7  7  75  o 67.03123 15.95840 0.3475050      0.1455829     0.4075803      0.1960238     0.2736112      0.2174026     71.33700 19.39149 60.14613 21.13051 11.19086       28.67975 
1 1 1 7  7  76  f 95.12164 14.84612 0.6846013      0.1886290     0.7503397      0.2644323     0.6164944      0.2691538     96.09261 20.55106 85.65916 22.47451 10.43345       30.45406 
1 1 1 7  7  77  o 99.55501 14.48571 0.7492802      0.1932921     0.7460227      0.2725192     0.7525779      0.2742013     94.81148 21.33202 95.20267 21.38128 -0.3911972     30.20289 
1 1 1 7  7  78  o 76.03550 15.47171 0.4489470      0.1569133     0.6133879      0.2113933     0.2471643      0.2341682     87.60448 18.07513 57.79391 21.68306 29.81057       28.22881 
1 1 1 7  7  79  o 95.69957 18.01857 0.7316109      0.2293684     0.5939123      0.2710464     1.078955       0.4304860     82.57550 22.94678 106.0841 28.69493 -23.50861      36.74171 
1 1 1 7  7  80  o 201.4600 11.82527 2.977759       0.3275142     3.035035       0.4141987     2.882204       0.5349957     199.7141 15.13213 186.7747 21.11489 12.93941       25.97729 
1 1 1 7  7  81  f 51.19580 16.82350 0.2026886      0.1375639     0.1118881      0.2092063     0.2718534      0.1825884     47.62322 19.64603 58.09131 19.39578 -10.46809      27.60730 
1 1 1 7  7  82  o 30.93008 13.21388 0.1159116E-01  0.9997094E-01 0.1886845      0.1460584     -0.1445005     0.1371246     49.96753 17.33287 27.71999 13.17365 22.24754       21.77093 
1 1 1 7  7  83  o 101.7335 13.69559 0.7855406      0.1875018     0.7487310      0.2462928     0.8362837      0.2891742     95.19362 19.39566 98.63135 21.81173 -3.437729      29.18806 
1 1 1 7  7  84  o 144.1239 13.50298 1.563763       0.2655897     1.577284       0.3725733     1.549793       0.3787029     138.2307 20.10906 136.2840 20.78167 1.946701       28.91802 
1 1 1 7  7  85  o 135.8225 11.82529 1.362999       0.2195666     1.376191       0.2778273     1.341054       0.3583466     133.6043 15.33773 126.1298 21.33628 7.474510       26.27704 
1 1 1 7  7  86  o 21.46763 10.00918 -0.6130104E-01 0.7270563E-01 -0.3717631E-01 0.9642384E-01 -0.9309155E-01 0.1106884     27.02917 12.19316 26.16729 12.24938 0.8618870      17.28353 
1 1 1 7  7  87  o 103.2642 12.28084 0.7954613      0.1716781     0.7468762      0.2243657     0.8640861      0.2666523     96.54455 17.47354 102.2576 19.59810 -5.713097      26.25662 
1 1 1 7  7  88  o 152.7964 10.56191 1.702795       0.2214725     1.672273       0.3090740     1.735007       0.3175156     147.0902 15.44816 149.6984 15.58935 -2.608200      21.94706 
1 1 1 7  7  89  o 143.5873 10.76520 1.510964       0.2118867     1.473503       0.2965437     1.550039       0.3028622     137.2302 15.94685 140.8793 15.84385 -3.649078      22.47954 
1 1 1 7  7  90  o 51.05706 15.85576 0.2073350      0.1235222     0.2421025      0.1857561     0.1797745      0.1653863     54.83376 19.50450 49.29671 18.27586 5.537045       26.72887 
1 1 1 7  7  91  o 205.9573 11.45047 3.152953       0.3243548     3.271305       0.5083687     3.071696       0.4212339     198.4194 18.77817 197.4571 15.57591 0.9622955      24.39731 
1 1 1 7  7  92  o 63.07857 17.86730 0.3419057      0.1627005     0.3651297      0.2139119     0.3100303      0.2506071     63.24204 20.98837 58.91398 22.35773 4.328060       30.66561 
1 1 1 7  7  93  o 53.74928 16.96338 0.2474291      0.1407667     0.2091275      0.1726578     0.3233591      0.2430999     50.21719 18.66216 58.56976 22.06948 -8.352562      28.90222 
1 1 1 7  7  94  o 82.13268 13.17481 0.5383735      0.1443654     0.6328559      0.2026649     0.4410440      0.2056959     84.58775 17.90918 67.58884 20.36138 16.99891       27.11687 
1 1 1 7  7  95  o 28.42152 12.44071 0.6068969E-02  0.9301150E-01 -0.1188404     0.1310412     0.1328913      0.1320408     26.74362 12.75679 41.59048 16.11493 -14.84686      20.55302 
1 1 1 7  7  96  o 90.76932 12.34481 0.6674832      0.1507116     0.6208364      0.2025638     0.7253240      0.2255630     80.16431 18.65069 85.73705 19.49394 -5.572731      26.97892 
1 1 1 7  7  97  o 42.81903 14.22922 0.1637440      0.9830772E-01 0.3369636E-01  0.1386064     0.2953864      0.1394537     33.53745 14.91097 54.72090 16.82322 -21.18344      22.48017 
1 1 1 7  7  98  o 47.15210 14.51873 0.2129100      0.1038193     0.1482167      0.1488233     0.2742378      0.1449005     39.83342 16.51259 50.21850 17.27286 -10.38509      23.89597 
1 1 1 7  7  99  o 37.21765 14.29552 0.1354239      0.1032311     0.5510445E-01  0.1480910     0.2113432      0.1439774     32.80607 14.92293 42.54697 16.72922 -9.740902      22.41787 
1 1 1 7  7  100 o 55.66495 15.99619 0.3633992      0.1294751     0.3929295      0.1837765     0.3342964      0.1824417     48.90881 18.99455 45.10413 18.44581 3.804688       26.47717 
1 1 1 7  7  101 o 35.17419 15.00926 0.1775004      0.1287069     0.8254337E-01  0.2062456     0.2380664      0.1647160     30.62226 14.94068 36.77028 16.30595 -6.148018      22.11579 
1 1 1 7  7  102 o 29.53713 13.76714 0.1375245      0.1373746     0.1379289      0.3029013     0.1374198      0.1541385     28.44954 14.45912 29.22551 13.91155 -0.7759724     20.06483 
1 1 1 7  7  103 o 26.26912 12.76392 0.1485045      0.1462761     -0.3401091E-01 0.2943853     0.2083399      0.1685566     23.66040 12.16974 27.27670 13.35067 -3.616302      18.06497 
1 1 1 7  7  104 o 20.62969 10.33428 0.4467475E-01  0.1254602     -0.9051930E-01 0.2674408     0.8282146E-01  0.1420618     20.23391 10.45586 21.39448 10.75588 -1.160568      15.00046 
1 1 1 7  7  105 o 19.77256 10.07932 0.2169730      0.1558007     0.1876402      0.3009786     0.2277101      0.1820965     18.25591 9.483757 19.32254 9.924391 -1.066624      13.72717 
1 1 1 7  7  106 o 14.98660 7.702847 0.8096999E-02  0.1127354     -0.2677632     0.2311677     0.9417718E-01  0.1291321     14.48284 7.535036 15.85723 8.151183 -1.374390      11.10039 
1 1 1 7  7  107 o 12.91006 6.703268 -0.3828819E-01 0.1426977     0.1253948      0.2330679     -0.1364394     0.1804798     13.40484 6.978603 12.74181 6.629249 0.6630325      9.625375 
1 1 1 7  7  108 o 11.48334 5.970541 -0.4272720E-01 0.1323631     -0.9405349E-01 0.2316627     -0.1785044E-01 0.1612810     11.58419 6.033159 11.62681 6.051192 -0.4261589E-01 8.544936 
1 1 1 7  7  109 o 10.31336 5.370459 -0.1449569E-02 0.1550501     0.3835227E-01  0.2696929     -0.2110009E-01 0.1894982     10.36895 5.395199 10.30020 5.364100 0.6875134E-01  7.608005 
1 1 1 7  7  110 o 8.900368 4.635052 -0.1361507E-01 0.1463728     -0.7899741E-01 0.2481558     0.2126900E-01  0.1812624     8.897765 4.623384 8.948131 4.657756 -0.5036545E-01 6.562803 
1 1 1 7  7  111 o ?        ?        0.4221036      0.3055761     0.000000       0.000000      0.4221036      0.3055761     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  0   o 143.1740 26.78666 1.587721       0.4752623     0.000000       0.000000      1.587721       0.4752623     143.1740 26.78666 143.1740 26.78666 0.000000       0.000000 
1 1 1 7  8  1   o 167.7904 16.58783 2.004181       0.3792884     1.935131       0.5365820     2.073136       0.5362078     161.9291 24.78670 168.1289 23.75871 -6.199844      34.33448 
1 1 1 7  8  2   o 172.2241 16.53899 2.110216       0.3884783     2.129230       0.5505850     2.091365       0.5482054     170.2881 24.08751 168.6808 24.23220 1.607361       34.16735 
1 1 1 7  8  3   o 109.6017 17.28243 0.8681137      0.2528872     0.9844123      0.3587977     0.7533088      0.3564864     115.0511 23.38216 99.99784 25.68292 15.05330       34.73238 
1 1 1 7  8  4   o 196.8392 16.51621 2.751147       0.4447612     1.914497       0.6185083     3.646998       0.6400175     159.1323 29.22508 225.1079 20.82634 -65.97562      35.88651 
1 1 1 7  8  5   o 251.1991 16.39039 4.467985       0.5654039     4.306048       0.7960228     4.632867       0.8032297     243.1587 24.02224 252.6780 23.28347 -9.519333      33.45427 
1 1 1 7  8  6   o 99.87964 17.62955 0.7252724      0.2342509     0.8401942      0.3350091     0.6153277      0.3276743     106.0687 23.49265 90.68662 25.24070 15.38207       34.48185 
1 1 1 7  8  7   o 147.7522 16.78965 1.559727       0.3364593     1.589037       0.4768758     1.530674       0.4747818     146.5446 24.42646 143.6121 24.84130 2.932541       34.83880 
1 1 1 7  8  8   o 154.6872 16.68309 1.707305       0.3507037     1.557939       0.4931754     1.860104       0.4988125     144.5892 25.64060 159.1961 23.38900 -14.60696      34.70570 
1 1 1 7  8  9   o 183.6030 16.53078 2.396928       0.4146000     2.799050       0.5867708     1.996004       0.5858960     196.4389 22.01070 163.5232 26.88236 32.91566       34.74381 
1 1 1 7  8  10  o 252.7542 13.36584 4.486914       0.4648215     3.966900       0.5626206     5.605052       0.8250034     236.2183 17.37087 278.9301 21.58826 -42.71175      27.70921 
1 1 1 7  8  11  o 140.0220 13.49543 1.385922       0.2576973     1.413489       0.3145817     1.329687       0.4493063     140.6235 16.51526 133.4064 25.31702 7.217102       30.22757 
1 1 1 7  8  12  o 180.8807 13.34863 2.304056       0.3310452     2.036890       0.4021362     2.865791       0.5831058     168.7994 17.50761 198.9116 21.57590 -30.11215      27.78553 
1 1 1 7  8  13  o 170.8620 13.36677 2.057492       0.3128492     1.956211       0.3813930     2.265807       0.5469761     165.5621 16.92077 176.0043 23.06132 -10.44212      28.60309 
1 1 1 7  8  14  o 187.5426 16.53505 2.502039       0.4238145     2.792200       0.6009457     2.214913       0.5977950     195.7880 22.64653 172.7405 25.85739 23.04749       34.37252 
1 1 1 7  8  15  o 285.1326 13.51002 5.700456       0.5319132     6.422678       0.9218208     5.339956       0.6512743     297.8517 22.58143 274.1321 17.29410 23.71957       28.44304 
1 1 1 7  8  16  o 83.33069 14.76120 0.5021733      0.1636325     0.9131330      0.2805684     0.2903318      0.2014395     111.9144 18.82398 64.03815 20.30122 47.87621       27.68541 
1 1 1 7  8  17  o 100.7470 14.26342 0.7265342      0.1928795     0.6522329      0.3307153     0.7648353      0.2374443     93.04553 25.14364 102.5968 17.38119 -9.551224      30.56646 
1 1 1 7  8  18  o 94.41302 17.88244 0.6520625      0.2245941     0.6769550      0.3166859     0.6268729      0.3185706     94.82871 24.12680 91.28437 24.68181 3.544342       34.51513 
1 1 1 7  8  19  o 264.0814 16.52619 4.949913       0.5995937     5.360808       0.8567832     4.555529       0.8393914     271.4358 23.07841 249.1438 24.72582 22.29204       33.82276 
1 1 1 7  8  20  o 149.0439 13.52200 1.571063       0.2752579     1.564237       0.3371093     1.584716       0.4767928     147.7692 16.82125 145.9230 24.53344 1.846283       29.74633 
1 1 1 7  8  21  o 77.76962 14.72907 0.4391543      0.1523788     0.3953983      0.1871225     0.5252873      0.2625380     73.14989 18.51043 83.84924 22.29148 -10.69934      28.97493 
1 1 1 7  8  22  o 117.2295 13.80208 0.9780797      0.2191384     1.063588       0.2694902     0.8111805      0.3764999     121.5772 16.47743 103.2035 26.33356 18.37371       31.06384 
1 1 1 7  8  23  f 245.7710 11.52350 4.222544       0.3910685     4.261908       0.5515391     4.182745       0.5545822     244.8581 16.40753 242.4535 16.66654 2.404587       23.38761 
1 1 1 7  8  24  o 200.5696 11.59027 2.821987       0.3196256     2.816598       0.4503128     2.827457       0.4537446     198.7633 16.55806 199.1100 16.65667 -0.3467560     23.48646 
1 1 1 7  8  25  o 211.7980 11.59289 3.146407       0.3377539     3.183056       0.4763609     3.109356       0.4789621     211.3739 16.45057 208.7782 16.75530 2.595657       23.48108 
1 1 1 7  8  26  o 129.6456 11.87114 1.186022       0.2101549     1.309624       0.2961757     1.060689       0.2982430     135.0952 16.20022 120.6787 18.48686 14.41652       24.58071 
1 1 1 7  8  27  f 135.5271 11.84962 1.295415       0.2195234     1.519094       0.3104343     1.071682       0.3104716     145.7651 15.66936 121.0356 19.21918 24.72955       24.79729 
1 1 1 7  8  28  o 215.8088 11.63326 3.269318       0.3453832     3.006154       0.4845640     3.541087       0.4924221     204.8757 17.29017 222.9821 16.10126 -18.10638      23.62627 
1 1 1 7  8  29  o 150.4597 11.83270 1.595289       0.2438506     1.490069       0.3422208     1.703814       0.3475549     143.6164 17.62700 154.0652 16.59941 -10.44885      24.21264 
1 1 1 7  8  30  o 174.0719 11.70322 2.131987       0.2796668     2.157721       0.3947574     2.106056       0.3962640     173.4759 16.68568 171.2556 16.98108 2.220276       23.80691 
1 1 1 7  8  31  o 185.9754 11.67080 2.432814       0.2981860     2.384232       0.4206880     2.481867       0.4227168     182.2772 16.90680 186.1142 16.62367 -3.837082      23.71047 
1 1 1 7  8  32  o 99.34217 12.47310 0.7035298      0.1673263     0.7683468      0.2357788     0.6377624      0.2375009     102.5217 17.26898 92.64896 19.19571 9.872757       25.82040 
1 1 1 7  8  33  o 111.0927 12.31274 0.8769004      0.1857001     0.8664785      0.2618487     0.8874460      0.2633973     108.7186 18.07727 110.0960 17.94430 -1.377350      25.47127 
1 1 1 7  8  34  o 274.3187 11.67629 5.278049       0.4422812     5.167016       0.6240352     5.390117       0.6269349     268.6453 16.90883 274.5706 16.61423 -5.925385      23.70530 
1 1 1 7  8  35  o 168.2737 11.82579 1.996500       0.2730339     2.009239       0.3849007     1.983598       0.3873674     167.0256 16.92248 165.8496 17.16331 1.176056       24.10290 
1 1 1 7  8  36  o 155.2849 11.91748 1.702540       0.2535864     1.760104       0.3576148     1.644322       0.3596445     156.2218 16.84459 150.6408 17.62297 5.580963       24.37846 
1 1 1 7  8  37  o 70.77736 13.80817 0.3652889      0.1301031     0.4392537      0.1827599     0.2892926      0.1852526     76.88864 17.59470 63.09316 19.38873 13.79548       26.18199 
1 1 1 7  8  38  o 164.7835 11.89282 1.916592       0.2687871     1.907105       0.3790921     1.926184       0.3811611     162.4890 17.15531 163.3066 17.15974 -0.8175964     24.26440 
1 1 1 7  8  39  o 271.8084 11.74386 5.187930       0.4407697     5.538110       0.6255721     4.842699       0.6211365     278.2133 16.35596 259.4801 17.43711 18.73325       23.90754 
1 1 1 7  8  40  o 175.0762 11.90894 2.163093       0.2861866     2.160857       0.4041365     2.165342       0.4053239     173.0129 17.14215 173.1789 17.17655 -0.1660004     24.26700 
1 1 1 7  8  41  o 75.76155 13.90988 0.4178098      0.1401534     0.3643512      0.1983411     0.4711239      0.1980727     69.92529 19.69979 79.43629 18.41656 -9.510994      26.96760 
1 1 1 7  8  42  o 178.9677 11.91506 2.260540       0.2927653     2.137189       0.4130564     2.385064       0.4150159     171.7773 17.66608 181.9888 16.70147 -10.21147      24.31110 
1 1 1 7  8  43  o 112.7680 12.61475 0.9062449      0.1930625     0.9072695      0.2718816     0.9052029      0.2741964     110.9741 18.38642 110.7720 18.58466 0.2021179      26.14288 
1 1 1 7  8  44  o 186.7199 11.97294 2.461069       0.3070680     2.395380       0.4331125     2.527458       0.4354160     181.9880 17.44927 187.1738 17.03333 -5.185852      24.38466 
1 1 1 7  8  45  o 190.8219 11.95727 2.570295       0.3134724     2.729204       0.4454517     2.414396       0.4412126     194.6592 16.73520 182.5481 17.72734 12.11105       24.37880 
1 1 1 7  8  46  o 155.0842 12.15829 1.702621       0.2582764     1.753056       0.3668441     1.653050       0.3636922     155.4266 17.39108 150.6959 17.82331 4.730698       24.90221 
1 1 1 7  8  47  o 130.1462 12.53028 1.204156       0.2223975     1.386627       0.3171111     1.027536       0.3119866     138.1745 16.97775 117.5447 19.93410 20.62978       26.18421 
1 1 1 7  8  48  o 114.7781 12.92432 0.9408693      0.2012710     1.047123       0.2876566     0.8389589      0.2817166     119.4209 18.00366 105.9197 19.99482 13.50120       26.90585 
1 1 1 7  8  49  o 88.56742 14.05575 0.5685769      0.1661545     0.6637726      0.2372672     0.4769686      0.2327537     94.30782 18.87883 79.34966 20.93842 14.95817       28.19269 
1 1 1 7  8  50  o 68.02548 15.10561 0.3416287      0.1381934     0.3354335      0.1973014     0.3475949      0.1936204     67.21412 19.87195 68.26071 19.54552 -1.046593      27.87331 
1 1 1 7  8  51  o 138.1816 15.13414 1.374454       0.2840433     1.224400       0.5088164     1.442386       0.3423539     123.4760 30.11291 140.4121 18.07751 -16.93609      35.12241 
1 1 1 7  8  52  o 263.7544 12.02563 4.899702       0.4379711     4.491952       0.8948199     5.028156       0.5022430     241.7978 27.27735 266.0766 13.71669 -24.27882      30.53198 
1 1 1 7  8  53  o 96.69379 15.53318 0.6822397      0.2003729     0.6888738      0.2553356     0.6716055      0.3232753     95.67218 19.97308 93.02893 24.73791 2.643250       31.79447 
1 1 1 7  8  54  o 150.1934 12.34422 1.601003       0.2537419     1.700454       0.2982436     1.340332       0.4828492     154.1669 14.16869 130.5002 27.65480 23.66666       31.07313 
1 1 1 7  8  55  f 73.15810 15.55394 0.3957220      0.1522856     0.3712384      0.1910157     0.4384261      0.2522701     70.31322 19.15425 76.09647 22.46241 -5.783249      29.52025 
1 1 1 7  8  56  o 62.30664 13.18599 0.2846461      0.1099071     0.2538135      0.1649487     0.3092649      0.1473930     59.08592 18.31834 64.45133 16.49334 -5.365410      24.64938 
1 1 1 7  8  57  o 76.73014 12.49135 0.4258711      0.1277935     0.4381955      0.1930974     0.4162664      0.1704658     76.28967 18.51733 74.68342 16.92178 1.606247       25.08462 
1 1 1 7  8  58  o 239.9305 9.781623 4.032920       0.3240666     4.067552       0.4583019     3.998289       0.4582969     238.8017 13.95954 236.6842 14.08663 2.117432       19.83184 
1 1 1 7  8  59  f 211.9165 9.834712 3.148174       0.2877825     3.114659       0.4060821     3.181990       0.4078957     208.6571 14.17840 210.9584 14.08372 -2.301270      19.98445 
1 1 1 7  8  60  o 259.1858 9.811088 4.711739       0.3511287     4.867865       0.4966016     4.555652       0.4965403     261.1110 13.82274 252.2764 14.31306 8.834641       19.89803 
1 1 1 7  8  61  o 99.70828 12.75432 0.7160609      0.1715765     0.9900309      0.2845267     0.5595053      0.2150828     115.1942 18.51486 85.99928 18.64939 29.19489       26.27927 
1 1 1 7  8  62  o 112.7589 12.20767 0.9112601      0.1870388     1.063488       0.3083485     0.8226431      0.2352629     118.8412 19.46448 105.4060 16.72236 13.43520       25.66132 
1 1 1 7  8  63  o 44.41630 12.71982 0.1440511      0.8199555E-01 0.1244427      0.1163568     0.1633939      0.1155657     43.79056 15.45175 47.90890 15.39683 -4.118340      21.81328 
1 1 1 7  8  64  o 169.7334 10.15123 2.039170       0.2368251     2.146711       0.3348425     1.931529       0.3350003     172.1789 14.21088 162.7970 15.07362 9.381882       20.71625 
1 1 1 7  8  65  f 108.2562 11.31276 0.8409041      0.1666082     0.9271303      0.2334067     0.7513285      0.2378966     111.9667 15.51369 99.48961 17.97869 12.47713       23.74675 
1 1 1 7  8  66  o 143.1532 10.67464 1.461727       0.2094877     1.453970       0.2946019     1.469660       0.2979472     140.3669 15.45574 141.0727 15.55386 -0.7057648     21.92721 
1 1 1 7  8  67  o 34.68548 13.40716 0.6050298E-01  0.9122467E-01 0.1049853      0.1303894     0.1785292E-01  0.1276757     42.64340 16.14038 35.50367 15.04228 7.139736       22.06314 
1 1 1 7  8  68  o 131.0389 10.80487 1.233007       0.1937617     1.078367       0.2736290     1.388536       0.2744136     119.1165 17.12882 136.9269 14.74630 -17.81036      22.60199 
1 1 1 7  8  69  o 119.9093 11.56255 1.042571       0.1890724     1.108305       0.2670567     0.9765095      0.2677221     120.8659 16.42713 112.4741 17.83326 8.391823       24.24615 
1 1 1 7  8  70  o 50.47567 14.98022 0.1933741      0.1119561     0.2029731      0.1573762     0.1835389      0.1593010     52.47354 18.00381 50.82709 18.06409 1.646450       25.50389 
1 1 1 7  8  71  o 59.25460 14.74998 0.2709473      0.1202114     0.2909410      0.1685046     0.2502255      0.1715456     60.57618 18.46945 56.85292 18.79189 3.723259       26.34874 
1 1 1 7  8  72  o 123.0179 11.13115 1.101982       0.1870322     0.9899299      0.2620754     1.218285       0.2670003     112.5028 17.43448 126.3621 15.63607 -13.85931      23.41896 
1 1 1 7  8  73  o 69.87512 16.01910 0.3838985      0.1512598     0.4673511      0.1827744     0.2025201      0.2694560     76.36140 17.68245 56.31810 22.63991 20.04330       28.72689 
1 1 1 7  8  74  o 115.5229 13.01902 0.9958576      0.2040542     1.009560       0.2539974     0.9709183      0.3426727     113.7492 16.66552 105.1419 24.11607 8.607323       29.31423 
1 1 1 7  8  75  o 83.06758 15.24278 0.5356266      0.1683941     0.4991197      0.2064603     0.6081749      0.2910465     77.65350 19.33038 82.36983 24.07407 -4.716339      30.87433 
1 1 1 7  8  76  o 97.33762 12.08934 0.7045587      0.1589890     0.6866421      0.2223137     0.7233149      0.2274635     92.22716 18.10332 94.76335 18.04235 -2.536194      25.55889 
1 1 1 7  8  77  o 80.60016 14.44599 0.5012379      0.1548702     0.4766628      0.2341362     0.5203533      0.2064975     74.22401 21.56364 79.23877 19.09738 -5.014763      28.80452 
1 1 1 7  8  78  f 46.12673 15.13295 0.1607057      0.1113229     0.1696938      0.1590866     0.1520815      0.1558324     48.72733 17.95111 47.12637 17.68682 1.600952       25.20051 
1 1 1 7  8  79  o 45.41300 16.21721 0.1478179      0.1285385     0.5316625E-01  0.1798617     0.2466201      0.1837630     41.94728 17.81731 55.80767 19.43707 -13.86039      26.36772 
1 1 1 7  8  80  o 101.2367 14.54473 0.7863441      0.1974816     0.5415485      0.2746569     1.048349       0.2841471     77.61896 23.56092 113.6474 18.76172 -36.02844      30.11842 
1 1 1 7  8  81  o 72.45895 17.81865 0.4282943      0.1770394     0.4386443      0.2256003     0.4117030      0.2856328     71.37054 21.28400 68.36509 24.20020 3.005455       32.22823 
1 1 1 7  8  82  o 95.12057 17.22174 0.7222567      0.2178705     0.6865219      0.2749897     0.7825102      0.3570770     88.52313 22.46066 90.45307 26.73097 -1.929939      34.91455 
1 1 1 7  8  83  o 79.08123 16.77246 0.5012175      0.1774729     0.3919334      0.2513453     0.6098764      0.2506253     67.03883 22.75468 83.88383 21.52928 -16.84500      31.32548 
1 1 1 7  8  84  o 121.4931 14.36266 1.130566       0.2362871     1.068092       0.3362872     1.191484       0.3320736     110.2939 22.83311 118.5474 21.05780 -8.253441      31.06094 
1 1 1 7  8  85  o 43.65221 16.65774 0.1250605      0.1395967     0.1231500      0.2046296     0.1267237      0.1909217     47.39091 19.47587 46.81764 18.97382 0.5732689      27.19035 
1 1 1 7  8  86  o 148.2840 16.37022 1.752022       0.3295983     2.057416       0.5830712     1.608610       0.3995619     138.8066 31.18228 135.0298 22.20155 3.776886       38.27850 
1 1 1 7  8  87  o 150.6849 16.46135 1.834247       0.3369382     2.050786       0.5844591     1.726457       0.4123586     134.7792 31.90033 138.3455 22.34778 -3.566330      38.94938 
1 1 1 7  8  88  o 122.4238 14.81773 1.196888       0.2453869     1.394469       0.3457633     0.9963868      0.3483098     124.7011 20.81397 98.85034 25.38585 25.85077       32.82778 
1 1 1 7  8  89  o 108.9858 15.40513 0.9754750      0.2253710     0.8909742      0.3166636     1.062210       0.3208226     92.81651 24.38958 104.2791 22.90693 -11.46256      33.46012 
1 1 1 7  8  90  o 48.82053 16.83659 0.2069294      0.1377174     0.2861277      0.1838023     0.1055553      0.2079489     55.06165 19.42127 43.65638 18.85948 11.40527       27.07150 
1 1 1 7  8  91  f 105.5238 13.07208 0.9036412      0.1863960     1.007956       0.2648380     0.8012485      0.2623867     103.2160 19.29144 88.11132 21.70759 15.10467       29.04099 
1 1 1 7  8  92  o 36.96358 15.26506 0.9040542E-01  0.1264945     0.9765258E-01  0.1862436     0.8419961E-01  0.1723444     40.27624 17.61767 38.94004 16.99259 1.336201       24.47714 
1 1 1 7  8  93  o 83.36924 16.27586 0.6557367      0.1806411     0.5998587      0.2719580     0.6998541      0.2416496     65.00923 23.54280 76.60960 21.80112 -11.60036      32.08664 
1 1 1 7  8  94  o 28.03138 12.81093 -0.4970456E-02 0.1107682     -0.3362551E-02 0.1518762     -0.6797702E-02 0.1619040     31.35032 14.56652 31.85469 14.88029 -0.5043774     20.82322 
1 1 1 7  8  95  f 32.91371 14.28825 0.8341154E-01  0.1205322     0.8028669E-01  0.1671744     0.8679461E-01  0.1739436     34.22104 15.67633 34.68505 15.92627 -0.4640198     22.34711 
1 1 1 7  8  96  o 32.99339 14.68190 0.1103367      0.1346661     -0.6638752E-01 0.1665209     0.4443792      0.2289400     27.34768 13.36090 45.83184 19.79389 -18.48416      23.88120 
1 1 1 7  8  97  o 30.91929 14.09172 0.1143876      0.1328603     0.1907417      0.1650042     -0.2638078E-01 0.2240430     33.91696 15.55071 28.24362 14.09722 5.673340       20.98943 
1 1 1 7  8  98  o 29.33281 14.29299 0.1663539      0.1870201     0.1678966      0.2821033     0.1651441      0.2498050     28.55301 14.45160 28.68634 14.39993 -0.1333313     20.40115 
1 1 1 7  8  99  o 21.35249 10.72982 -0.4626659E-01 0.1405504     0.6400748E-01  0.2203781     -0.1218738     0.1824792     24.02914 12.22436 21.35132 10.88623 2.677816       16.36902 
1 1 1 7  8  100 o 21.63926 10.99073 0.1179494      0.1729831     0.1361702      0.2623907     0.1039426      0.2300561     21.35680 11.00923 21.23201 10.91197 0.1247978      15.50078 
1 1 1 7  8  101 o 18.83146 9.678990 0.1623685      0.1780792     -0.2192692     0.2836615     0.4106179      0.2287804     17.12422 8.901183 19.87239 10.24560 -2.748165      13.57216 
1 1 1 7  8  102 o 10.35693 5.342561 -0.2194047     0.6364261E-01 -0.7543459E-01 0.2001131     -0.2356052     0.6712792E-01 14.98468 7.783297 10.46674 5.402507 4.517940       9.474534 
1 1 1 7  8  103 o 13.73527 7.134413 0.1199882      0.1683687     0.1383163E-01  0.2795672     0.1804045      0.2109065     13.36754 6.961443 13.75728 7.157655 -0.3897419     9.984674 
1 1 1 7  8  104 o 12.17081 6.334638 0.1134344      0.1784198     0.2823680      0.2910438     0.1172313E-01  0.2258318     12.19170 6.348592 11.93825 6.217247 0.2534466      8.885875 
1 1 1 7  8  105 o 10.36531 5.396116 -0.6054580E-01 0.1377442     0.4922781E-01  0.2491473     -0.1088693     0.1653050     10.60079 5.518498 10.34105 5.385330 0.2597437      7.710746 
1 1 1 7  8  106 o 9.073834 4.724196 -0.4283617E-01 0.1101724     -0.2808396     0.2175337     0.3927385E-01  0.1277712     9.025965 4.695130 9.283579 4.834250 -0.2576141     6.739007 
1 1 1 7  8  107 o ?        ?        0.2585342      0.2582810     0.000000       0.000000      0.2585342      0.2582810     ?        ?        ?        ?        0.000000       ?        
1 1 1 7  8  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  0   o 101.8834 30.80964 0.9161255      0.3781110     0.000000       0.000000      0.9161255      0.3781110     101.8834 30.80964 101.8834 30.80964 0.000000       0.000000 
1 1 1 7  9  1   o 171.2034 16.84183 2.103826       0.3929907     1.973582       0.5558979     2.233952       0.5556477     161.7950 25.74500 173.3074 23.85102 -11.51236      35.09524 
1 1 1 7  9  2   o 228.0531 13.50656 3.673760       0.4234280     3.566338       0.5179243     3.890275       0.7352964     223.2530 16.92678 229.6017 23.52473 -6.348679      28.98153 
1 1 1 7  9  3   o 288.5980 13.46166 5.863637       0.5364509     6.132881       0.6594625     5.336939       0.9223530     293.3970 16.34270 267.9792 25.22310 25.41782       30.05476 
1 1 1 7  9  4   o 160.5035 13.83509 1.828207       0.3036272     2.271903       0.3749538     0.9830956      0.5174782     178.5117 15.36115 111.4928 31.96192 67.01894       35.46165 
1 1 1 7  9  5   o 204.4984 13.51023 2.957012       0.3793471     2.446768       0.4592088     4.053442       0.6731496     184.0959 18.30741 235.9430 20.87723 -51.84711      27.76725 
1 1 1 7  9  6   o 332.0835 16.72977 7.866626       0.7646788     7.207929       1.068235      8.558876       1.095104      311.7270 25.02831 341.2990 23.37797 -29.57196      34.24829 
1 1 1 7  9  7   o 147.6530 17.01609 1.571681       0.3405800     1.454109       0.4799063     1.690980       0.4834186     138.1728 26.11015 150.2204 24.12170 -12.04761      35.54710 
1 1 1 7  9  8   o 272.7831 13.53617 5.242049       0.5098601     5.410046       0.6265026     4.912569       0.8773783     275.3116 16.55711 256.9761 25.04443 18.33545       30.02268 
1 1 1 7  9  9   o 294.7206 13.53288 6.119761       0.5507300     6.148739       0.6740401     6.061563       0.9552079     293.4523 16.70360 286.0883 24.41389 7.364075       29.58122 
1 1 1 7  9  10  o 360.6080 13.67964 9.166944       0.6811581     9.691417       0.8382313     8.147302       1.168762      369.0893 16.44729 330.5788 25.80890 38.51047       30.60413 
1 1 1 7  9  11  o 429.7107 13.91716 13.02785       0.8257806     11.87514       0.9924876     15.62106       1.488620      407.6235 17.63307 461.0408 23.46081 -53.41727      29.34851 
1 1 1 7  9  12  o 347.5697 13.60391 8.516343       0.6528956     7.951094       0.7908593     9.726018       1.156948      333.3609 17.23990 363.7831 23.15250 -30.42215      28.86611 
1 1 1 7  9  13  o 217.2168 13.49499 3.337500       0.4027641     3.916904       0.4953775     2.207539       0.6917953     234.5656 15.37959 167.9168 30.97761 66.64877       34.58532 
1 1 1 7  9  14  o 271.8723 13.43604 5.209504       0.5043993     5.239446       0.6157981     5.148458       0.8792763     270.7730 16.54950 263.2306 24.47100 7.542419       29.54177 
1 1 1 7  9  15  f 199.1474 13.48114 2.807900       0.3685306     2.885765       0.4502268     2.649799       0.6415440     200.7310 16.38642 187.6852 25.40788 13.04584       30.23368 
1 1 1 7  9  16  o 207.0225 13.52024 3.034225       0.3843690     3.475075       0.4727017     2.173923       0.6603385     220.7218 15.61041 167.2453 29.68104 53.47653       33.53578 
1 1 1 7  9  17  o 304.0464 11.73674 6.485778       0.4927487     6.039531       0.6867403     6.959310       0.7074239     290.2998 17.20875 312.1584 16.47050 -21.85861      23.82054 
1 1 1 7  9  18  o 182.4869 11.75643 2.345972       0.2946647     2.183195       0.4128672     2.514967       0.4206801     173.9510 17.42305 187.2364 16.43771 -13.28537      23.95330 
1 1 1 7  9  19  o 141.3524 11.96461 1.412489       0.2313363     1.926549       0.3280674     0.9040854      0.3262579     164.3687 14.60682 109.4938 22.33579 54.87489       26.68795 
1 1 1 7  9  20  o 267.1884 11.65702 5.009408       0.4300738     4.949206       0.6068016     5.070176       0.6096407     262.8284 16.80801 266.1072 16.67549 -3.278809      23.67660 
1 1 1 7  9  21  o 135.8714 11.93492 1.305906       0.2216467     1.382493       0.3121932     1.228067       0.3147337     138.3042 16.68442 129.7474 18.05684 8.556854       24.58494 
1 1 1 7  9  22  o 164.3803 11.79477 1.906362       0.2659380     1.954059       0.3749517     1.858080       0.3772450     164.6955 16.71931 160.3218 17.31590 4.373688       24.07023 
1 1 1 7  9  23  o 168.7567 11.73099 2.008496       0.2716602     2.197544       0.3840543     1.819189       0.3843169     174.9911 16.07388 158.3626 17.88873 16.62849       24.04945 
1 1 1 7  9  24  o 263.5059 11.67584 4.874463       0.4248314     4.321532       0.5947630     5.450436       0.6070294     244.9349 17.70477 276.2362 15.98272 -31.30130      23.85176 
1 1 1 7  9  25  o 176.8673 11.73468 2.205667       0.2849598     2.246098       0.4017362     2.164726       0.4042637     176.6544 16.66640 173.2026 17.12778 3.451721       23.89832 
1 1 1 7  9  26  o 97.28062 12.50041 0.6762998      0.1640298     0.7436081      0.2298819     0.6064851      0.2341225     100.7014 17.14665 90.06667 19.39837 10.63472       25.89024 
1 1 1 7  9  27  o 108.8087 12.28841 0.8427482      0.1813929     0.9838600      0.2547328     0.6975863      0.2583624     116.4479 16.28794 96.52769 20.03960 19.92026       25.82407 
1 1 1 7  9  28  o 167.3985 11.81681 1.977837       0.2713883     1.970677       0.3815259     1.985172       0.3861175     165.2172 16.96444 165.7647 17.11535 -0.5474701     24.09829 
1 1 1 7  9  29  f 129.1488 12.14493 1.182755       0.2140385     1.237067       0.3013299     1.127447       0.3040812     130.4667 17.14137 124.0317 18.30510 6.434975       25.07795 
1 1 1 7  9  30  o 100.1705 12.65875 0.7173317      0.1711841     0.7880003      0.2412349     0.6456512      0.2429559     103.5761 17.49005 92.89665 19.55878 10.67950       26.23829 
1 1 1 7  9  31  o 86.86823 13.05608 0.5433160      0.1517631     0.4417822      0.2124851     0.6490463      0.2168318     76.65849 19.89946 93.81986 17.37745 -17.16137      26.41901 
1 1 1 7  9  32  o 161.0659 11.93955 1.833372       0.2636490     1.647250       0.3704520     2.024406       0.3753074     150.3311 18.21821 167.6300 16.42529 -17.29895      24.52944 
1 1 1 7  9  33  o 135.8561 12.12831 1.308273       0.2251265     1.233134       0.3163342     1.385384       0.3204599     129.8118 18.14382 138.0999 17.17623 -8.288101      24.98441 
1 1 1 7  9  34  o 133.7269 12.15596 1.268240       0.2220121     1.369920       0.3141719     1.166818       0.3137737     137.3970 16.91703 126.0191 18.59024 11.37786       25.13529 
1 1 1 7  9  35  o 149.9519 12.06888 1.591848       0.2477787     1.688743       0.3509818     1.495579       0.3498448     152.7076 16.92999 143.1332 18.10589 9.574387       24.78806 
1 1 1 7  9  36  o 199.9010 11.89820 2.820246       0.3269386     2.870772       0.4625335     2.769795       0.4621888     199.4963 16.95133 195.7736 17.27443 3.722687       24.20234 
1 1 1 7  9  37  o 188.1130 11.93552 2.499191       0.3084204     2.659048       0.4373839     2.341093       0.4349708     192.0670 16.65689 179.6133 17.77131 12.45375       24.35716 
1 1 1 7  9  38  o 173.7020 12.02816 2.133319       0.2867218     1.927324       0.4046261     2.341074       0.4063510     162.5379 18.34982 180.1819 16.51630 -17.64398      24.68813 
1 1 1 7  9  39  o 265.0909 11.82307 4.943989       0.4327758     4.829717       0.6105703     5.059366       0.6135151     258.8420 17.18057 265.1621 16.84359 -6.320099      24.05990 
1 1 1 7  9  40  o 56.55717 15.78941 0.2351558      0.1280207     0.2841571      0.1790348     0.1838861      0.1831319     62.32039 19.04551 53.84843 19.34359 8.471958       27.14601 
1 1 1 7  9  41  o 105.7306 15.52280 0.8124302      0.2198777     0.9652582      0.2630249     0.4578184      0.4006563     114.8514 17.10738 80.29431 28.63605 34.55714       33.35694 
1 1 1 7  9  42  o 95.60078 16.02546 0.6691397      0.2040617     0.7001808      0.2440612     0.5970274      0.3719927     96.86150 18.92639 87.95148 27.54908 8.910019       33.42394 
1 1 1 7  9  43  o 81.80347 21.48414 0.5093122      0.2457970     0.6728783      0.3494762     0.3491950      0.3457722     92.87035 26.14446 72.44054 26.49834 20.42981       37.22492 
1 1 1 7  9  44  o 91.32960 28.12089 0.6511927      0.3894767     0.000000       0.000000      0.6511927      0.3894767     ?        ?        91.32960 28.12089 0.000000       28.12089 
1 1 1 7  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  46  o 315.1904 16.89604 7.157146       0.7326754     7.358181       1.038887      6.958208       1.033454      312.8523 24.23782 303.5423 24.87513 9.309998       34.73102 
1 1 1 7  9  47  o 206.4117 16.89131 3.081409       0.4772159     3.349120       0.6776792     2.818067       0.6721256     210.8027 23.69183 191.5341 26.09264 19.26863       35.24384 
1 1 1 7  9  48  o 65.95671 15.96102 0.3235729      0.1437939     0.4002409      0.2025612     0.2456909      0.2041586     72.81252 19.67868 59.71038 20.50480 13.10214       28.42002 
1 1 1 7  9  49  f 153.1987 12.61843 1.669918       0.2645564     1.526404       0.3708538     1.818632       0.3775136     143.6855 19.17000 157.7795 17.62919 -14.09399      26.04376 
1 1 1 7  9  50  o 124.8407 13.18586 1.116361       0.2238623     1.232941       0.3151788     0.9976709      0.3180185     129.2929 18.15434 114.9458 20.80229 14.34713       27.61006 
1 1 1 7  9  51  o 159.1940 12.60858 1.804674       0.2748927     1.858857       0.3907980     1.751608       0.3867476     159.0823 18.11365 154.1603 18.54022 4.922012       25.91996 
1 1 1 7  9  52  o 131.5547 13.31758 1.241502       0.2385859     1.456268       0.3418775     1.037603       0.3331158     140.5183 18.03607 116.7278 21.45799 23.79050       28.03115 
1 1 1 7  9  53  o 220.3451 12.29683 3.450093       0.3726481     3.332438       0.5286003     3.566337       0.5254221     213.0402 18.14196 220.9806 17.35904 -7.940384      25.10910 
1 1 1 7  9  54  o 84.16543 15.78086 0.5257049      0.1766634     0.3830082      0.2493706     0.6694806      0.2503116     71.12149 22.59208 93.60213 19.97522 -22.48064      30.15645 
1 1 1 7  9  55  o 102.2854 14.04161 0.7620639      0.1930883     0.6708164      0.2717493     0.8551044      0.2744061     92.82847 21.60570 106.1302 19.44124 -13.30171      29.06489 
1 1 1 7  9  56  o 124.3709 13.42531 1.119000       0.2269020     1.111474       0.3200217     1.126608       0.3217611     120.8355 19.87083 121.6924 19.83145 -0.8568802     28.07376 
1 1 1 7  9  57  o 44.82972 15.96616 0.1305353      0.1245103     0.2579753      0.1733841     -0.5163851E-02 0.1789143     58.94816 18.85015 40.13120 17.41474 18.81697       25.66323 
1 1 1 7  9  58  o 71.68894 13.54859 0.3809586      0.1292027     0.2903987      0.2154372     0.4318251      0.1614615     62.49888 21.06738 75.57787 15.97165 -13.07898      26.43725 
1 1 1 7  9  59  o 59.38803 12.24638 0.2611984      0.9708963E-01 0.2731930      0.1349442     0.2483259      0.1397952     59.91925 16.00629 57.24953 16.67092 2.669720       23.11106 
1 1 1 7  9  60  o 107.1804 10.98093 0.8268475      0.1602204     0.8475430      0.2240622     0.8051925      0.2291966     106.3516 15.73237 103.1397 16.66123 3.211830       22.91515 
1 1 1 7  9  61  o 154.4049 11.37307 1.716769       0.2407736     1.930612       0.3093539     1.388181       0.3834717     162.1426 13.95312 131.7992 21.83528 30.34334       25.91272 
1 1 1 7  9  62  o 66.12718 13.68091 0.3298417      0.1208001     0.3784193      0.1702992     0.2806454      0.1713803     69.39359 17.71279 60.06812 18.68016 9.325470       25.74279 
1 1 1 7  9  63  o 48.86306 13.58215 0.1806112      0.9494580E-01 0.1967261      0.1340761     0.1644010      0.1344721     51.20985 16.59739 47.99999 16.63227 3.209858       23.49693 
1 1 1 7  9  64  o 48.94203 14.21288 0.1819246      0.1017345     0.1471744      0.1440611     0.2164951      0.1436882     46.75096 17.10355 53.25328 17.17397 -6.502319      24.23792 
1 1 1 7  9  65  o 52.49023 13.92142 0.2113654      0.1025532     0.1555020      0.1440739     0.2687402      0.1460097     47.35587 17.13778 58.39684 17.04674 -11.04097      24.17219 
1 1 1 7  9  66  o 79.72710 11.93579 0.4718084      0.1273586     0.5807402      0.1789528     0.3600071      0.1812944     86.71153 15.51559 66.51152 18.86797 20.20001       24.42813 
1 1 1 7  9  67  o 66.93909 15.26985 0.3500228      0.1380183     0.3223600      0.1680414     0.4073691      0.2419478     63.11364 18.24874 69.19741 22.28223 -6.083775      28.80129 
1 1 1 7  9  68  o 107.7671 12.80982 0.8665590      0.1868856     0.8339435      0.2338179     0.9242526      0.3109778     102.8851 17.05580 104.0584 22.31255 -1.173271      28.08470 
1 1 1 7  9  69  o 95.80093 11.40266 0.6769295      0.1478760     0.7305704      0.2081265     0.6222435      0.2101445     96.66362 16.16361 87.89937 17.92154 8.764252       24.13388 
1 1 1 7  9  70  o 63.57604 13.47468 0.3107680      0.1146166     0.2648310      0.1612217     0.3577109      0.1629774     57.38342 18.15876 66.38417 17.52287 -9.000755      25.23473 
1 1 1 7  9  71  o 77.64928 13.53180 0.4602383      0.1398139     0.4752936      0.2186135     0.4498184      0.1818715     74.74078 20.54573 74.25208 17.93920 0.4887009      27.27530 
1 1 1 7  9  72  o 45.15526 14.85352 0.1530095      0.1072234     0.1614643      0.1562535     0.1454850      0.1474066     47.92870 17.76500 46.15370 17.22547 1.774998       24.74494 
1 1 1 7  9  73  o 93.06905 13.04239 0.6534542      0.1630073     0.5886124      0.2157142     0.7397687      0.2488814     84.45071 18.96276 94.35511 19.73682 -9.904404      27.37021 
1 1 1 7  9  74  o 51.56219 16.29107 0.2079911      0.1298022     0.2761561      0.1607407     0.8022517E-01  0.2200660     58.37730 18.08062 46.46638 19.72122 11.91092       26.75510 
1 1 1 7  9  75  o 105.8302 12.52952 0.8366746      0.1795429     0.6698362      0.2298137     1.098020       0.2876307     90.24867 19.04027 116.6813 18.46715 -26.43264      26.52485 
1 1 1 7  9  76  o 37.52845 12.32535 0.1017059      0.7384015E-01 0.5816309E-01  0.1065398     0.1419563      0.1024327     35.51603 14.25059 43.74556 14.52409 -8.229527      20.34769 
1 1 1 7  9  77  o 83.47872 14.00195 0.5346696      0.1556844     0.5572249      0.2378648     0.5177662      0.2059167     80.44060 21.13869 78.89989 19.10442 1.540703       28.49251 
1 1 1 7  9  78  o 59.74055 15.00713 0.2823069      0.1236340     0.4917817      0.1777317     0.8590992E-01  0.1720943     78.09898 16.96623 43.21540 17.82199 34.88359       24.60643 
1 1 1 7  9  79  o 29.06107 12.28303 0.1578284E-01  0.8480396E-01 0.3541123E-01  0.1292426     0.9423792E-03  0.1123795     35.94837 15.17711 31.64157 13.76634 4.306803       20.49040 
1 1 1 7  9  80  o 99.48939 13.81442 0.7618622      0.1846573     0.8561631      0.3047113     0.7071308      0.2321393     97.16735 23.05737 91.83464 18.93556 5.332710       29.83618 
1 1 1 7  9  81  o 67.91690 16.43028 0.3793255      0.1524093     0.3113283      0.2408153     0.4247607      0.1968495     59.79280 22.07572 69.73514 19.61833 -9.942341      29.53331 
1 1 1 7  9  82  o 109.7963 13.50232 0.9366004      0.2003937     0.6954263      0.3136228     1.103004       0.2605098     82.54285 25.20389 115.9829 16.75194 -33.44003      30.26324 
1 1 1 7  9  83  o 78.70782 13.94896 0.4952208      0.1460495     0.6178504      0.2033365     0.3645332      0.2099108     84.49776 17.97967 62.28907 20.79640 22.20869       27.49107 
1 1 1 7  9  84  o 85.69537 13.29318 0.5854454      0.1522028     0.7386464      0.2137673     0.4279270      0.2167584     92.30157 17.41079 65.98266 21.07404 26.31892       27.33589 
1 1 1 7  9  85  f 33.62397 13.93580 0.5425433E-01  0.1059700     0.1569918      0.1478402     -0.5430816E-01 0.1519736     44.27265 17.08043 31.78123 14.69812 12.49142       22.53388 
1 1 1 7  9  86  o 117.1654 13.03322 1.116407       0.2072843     1.781110       0.3199918     0.6358220      0.2720882     141.7934 16.66110 73.73823 23.61735 68.05514       28.90279 
1 1 1 7  9  87  o 43.36480 16.27710 0.1686430      0.1319894     0.1627790      0.1838179     0.1748844      0.1896406     43.57789 18.23178 44.39906 18.54190 -0.8211632     26.00385 
1 1 1 7  9  88  o 94.54048 16.49137 0.8506107      0.2074548     0.8099856      0.2913249     0.8924056      0.2954901     75.85851 24.45288 80.95475 24.40795 -5.096237      34.54984 
1 1 1 7  9  89  o 35.96028 14.92770 0.1079762      0.1218682     0.1062175      0.1687624     0.1098928      0.1761715     37.14149 16.48613 37.51642 16.73637 -0.3749313     23.49252 
1 1 1 7  9  90  o 45.02814 16.97667 0.2510509      0.1438955     0.2423756E-01  0.1997360     0.4958001      0.2074830     33.11923 15.78455 56.81606 20.56542 -23.69683      25.92467 
1 1 1 7  9  91  o 56.47104 20.29337 0.5500001      0.2015752     0.4525669      0.2458066     0.7500655      0.3522298     44.85181 19.90311 46.47445 21.78599 -1.622631      29.50870 
1 1 1 7  9  92  o 31.22693 14.28956 0.1171730      0.1383976     0.9344784E-01  0.1681084     0.1670747      0.2438045     30.36567 14.47464 32.31400 15.86547 -1.948332      21.47623 
1 1 1 7  9  93  o 30.79847 14.31782 0.1716726      0.1470516     0.2668319      0.1805430     -0.1587852E-01 0.2534633     33.01190 15.51416 26.61696 13.49636 6.394939       20.56310 
1 1 1 7  9  94  o 23.61638 11.76376 0.3235827E-01  0.1527195     -0.8532341E-01 0.2230931     0.1361389      0.2095028     22.92503 11.71774 25.55153 12.87357 -2.626493      17.40788 
1 1 1 7  9  95  o 21.50130 10.88710 0.5939358E-01  0.1611921     -0.6297197E-01 0.2450020     0.1527875      0.2140421     20.75618 10.69661 22.44239 11.47158 -1.686207      15.68485 
1 1 1 7  9  96  o 17.22709 8.831784 -0.6055725E-01 0.1364378     0.1233656E-01  0.2091282     -0.1145770     0.1800293     18.40884 9.503373 17.38872 8.970422 1.020117       13.06838 
1 1 1 7  9  97  o 17.10165 8.839105 0.2179829      0.1932068     0.1158599      0.2836589     0.3063629      0.2638830     16.33754 8.497570 16.90942 8.786160 -0.5718803     12.22315 
1 1 1 7  9  98  o 13.44831 6.991508 -0.1388835     0.1782262     -0.1388835     0.1782262     0.000000       0.000000      13.44831 6.991508 ?        ?        0.000000       6.991508 
1 1 1 7  9  99  o 12.23888 6.371897 -0.9945682E-01 0.1963994     -0.9945682E-01 0.1963994     0.000000       0.000000      12.23888 6.371897 ?        ?        0.000000       6.371897 
1 1 1 7  9  100 o 11.38557 5.927886 0.1639434      0.2728504     0.1639434      0.2728504     0.000000       0.000000      11.38557 5.927886 ?        ?        0.000000       5.927886 
1 1 1 7  9  101 o 9.935629 5.169998 0.3472000E-01  0.2426599     0.3472000E-01  0.2426599     0.000000       0.000000      9.935629 5.169998 ?        ?        0.000000       5.169998 
1 1 1 7  9  102 o ?        ?        0.1838207      0.2797672     0.1838207      0.2797672     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 7  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  107 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 1   o 104.7022 25.20328 0.8476946      0.3599901     0.000000       0.000000      0.8476946      0.3599901     ?        ?        104.7022 25.20328 0.000000       25.20328 
1 1 1 7  10 2   o 157.5878 25.21106 1.888369       0.5301020     0.000000       0.000000      1.888369       0.5301020     ?        ?        157.5878 25.21106 0.000000       25.21106 
1 1 1 7  10 3   o 165.3882 25.06449 2.074517       0.5544646     0.000000       0.000000      2.074517       0.5544646     ?        ?        165.3882 25.06449 0.000000       25.06449 
1 1 1 7  10 4   o 253.1355 16.78197 4.601982       0.5832624     3.746953       0.8127765     5.509807       0.8374940     221.5303 27.13803 273.0721 22.40843 -51.54179      35.19390 
1 1 1 7  10 5   o 186.5319 24.75058 2.624872       0.6217530     0.000000       0.000000      2.624872       0.6217530     ?        ?        186.5319 24.75058 0.000000       24.75058 
1 1 1 7  10 6   o 235.6910 13.64755 3.939509       0.4422553     4.262161       0.5446442     3.314976       0.7577451     243.8459 16.26895 208.3294 26.97452 35.51654       31.50084 
1 1 1 7  10 7   o 154.2956 25.23977 1.812851       0.5191481     0.000000       0.000000      1.812851       0.5191481     ?        ?        154.2956 25.23977 0.000000       25.23977 
1 1 1 7  10 8   o 168.2242 25.10454 2.146886       0.5652981     0.000000       0.000000      2.146886       0.5652981     ?        ?        168.2242 25.10454 0.000000       25.10454 
1 1 1 7  10 9   o 92.13828 18.66969 0.6322023      0.2293911     0.6789672      0.3258455     0.5862535      0.3229895     93.79197 24.78624 87.36292 25.31140 6.429054       35.42632 
1 1 1 7  10 10  o 130.4742 17.66050 1.242120       0.3099981     1.561664       0.4414756     0.9313180      0.4353948     144.1226 22.95374 108.5053 28.64040 35.61723       36.70350 
1 1 1 7  10 11  o 154.0870 13.86252 1.692761       0.2917913     1.450879       0.3543268     2.202453       0.5143479     140.7340 18.69608 172.0415 22.16703 -31.30750      28.99863 
1 1 1 7  10 12  o 122.0899 14.28131 1.069656       0.2362114     1.011392       0.2876669     1.190254       0.4138664     117.2548 18.37064 124.5303 24.93802 -7.275459      30.97395 
1 1 1 7  10 13  o 169.9087 13.79794 2.055265       0.3209225     1.654771       0.3879683     2.923117       0.5711119     150.2189 19.13871 199.1180 21.09289 -48.89908      28.48158 
1 1 1 7  10 14  o 76.38704 15.53763 0.4295351      0.1583071     0.4101937      0.1927991     0.4695601      0.2773492     73.98220 18.82631 78.84410 23.61882 -4.861900      30.20395 
1 1 1 7  10 15  o 151.3672 14.02443 1.635621       0.2897963     2.021993       0.3555636     0.8711150      0.5001546     167.8389 15.51782 104.2733 31.82611 63.56561       35.40768 
1 1 1 7  10 16  o 260.7732 13.58661 4.821847       0.4875359     4.964569       0.5956768     4.532245       0.8485261     262.9986 16.48619 244.9295 25.46128 18.06914       30.33268 
1 1 1 7  10 17  o 175.9674 13.86100 2.204863       0.3340676     2.430988       0.4091197     1.752429       0.5787013     183.7860 16.29011 149.2425 29.12724 34.54344       33.37310 
1 1 1 7  10 18  o 114.0533 14.29498 0.9356546      0.2201823     0.9846021      0.2673071     0.8323593      0.3883163     116.0473 17.20254 103.0152 26.97893 13.03206       31.99672 
1 1 1 7  10 19  o 166.3818 12.00223 1.957598       0.2738925     2.056906       0.3839908     1.854745       0.3907836     168.7518 16.69827 159.5770 18.05237 9.174820       24.59106 
1 1 1 7  10 20  o 281.5679 13.65613 5.610794       0.5309440     5.018808       0.6423592     6.887392       0.9432991     263.5706 17.75332 304.9189 22.56429 -41.34827      28.71111 
1 1 1 7  10 21  o 109.0845 14.69238 0.8591576      0.2156770     0.8779206      0.2619530     0.8196698      0.3800177     109.1511 18.00839 102.2884 26.64106 6.862778       32.15662 
1 1 1 7  10 22  o 73.68746 15.89342 0.4015173      0.1569617     0.4795645      0.1895634     0.2313134      0.2799371     80.23433 17.59474 62.64716 23.66448 17.58717       29.48868 
1 1 1 7  10 23  o 78.41795 15.80947 0.4533701      0.1652761     0.4485458      0.1989654     0.4641090      0.2968565     77.29416 18.81836 78.54972 24.61105 -1.255562      30.98120 
1 1 1 7  10 24  o 104.3885 14.90481 0.7891298      0.2087408     0.9421791      0.2537159     0.4685011      0.3672258     113.6239 16.66652 80.09810 27.50067 33.52582       32.15680 
1 1 1 7  10 25  o 134.4305 14.24335 1.295322       0.2603644     1.192889       0.3149012     1.516654       0.4628887     127.3882 18.43850 140.8679 24.69769 -13.47961      30.82132 
1 1 1 7  10 26  o 171.9113 14.00791 2.108078       0.3296270     1.961450       0.3998303     2.419182       0.5823980     164.1196 17.93514 178.9106 24.19535 -14.79102      30.11784 
1 1 1 7  10 27  o 277.0560 16.95981 5.527955       0.6456997     5.040905       0.8919799     6.064169       0.9359182     258.0861 25.35692 284.4500 24.05381 -26.36389      34.95081 
1 1 1 7  10 28  o 224.8151 17.01045 3.647344       0.5241466     3.367270       0.7237788     3.956202       0.7600621     210.5171 25.41303 229.1417 24.39710 -18.62462      35.22841 
1 1 1 7  10 29  o 118.6375 14.44925 1.013265       0.2318147     1.306352       0.3936521     0.8576702      0.2868216     131.5356 22.48120 106.9765 20.15655 24.55910       30.19422 
1 1 1 7  10 30  o 107.1220 14.73222 0.8299773      0.2121465     0.6490241      0.3540272     0.9313602      0.2649940     91.24681 26.51783 112.5551 17.62910 -21.30824      31.84306 
1 1 1 7  10 31  o 184.0277 17.28482 2.454845       0.4340772     0.000000       0.000000      2.454845       0.4340772     ?        ?        184.0277 17.28482 0.000000       17.28482 
1 1 1 7  10 32  o 92.03637 19.22920 0.6355749      0.2364988     0.000000       0.000000      0.6355749      0.2364988     ?        ?        92.03637 19.22920 0.000000       19.22920 
1 1 1 7  10 33  o 72.84637 19.14618 0.3993631      0.1951156     0.1596620      0.3035594     0.5681084      0.2546974     59.90910 24.04881 86.29687 21.46352 -26.38776      32.23396 
1 1 1 7  10 34  o 110.4215 18.50767 0.9036164      0.2722051     0.3053908      0.4004885     1.417270       0.3711014     72.24481 28.04492 138.1431 20.03966 -65.89833      34.46890 
1 1 1 7  10 35  o 160.2384 14.01181 1.836316       0.3069095     1.657729       0.3781649     2.180918       0.5253078     150.2121 18.63219 170.1187 22.94829 -19.90660      29.55981 
1 1 1 7  10 36  f 136.9798 14.24663 1.347553       0.2655253     1.276259       0.3286560     1.481553       0.4505756     131.5145 18.61814 138.9302 24.37633 -7.415695      30.67312 
1 1 1 7  10 37  o 81.50150 14.40040 0.4856865      0.1561339     0.5209908      0.2203797     0.4501072      0.2212363     82.95281 19.55844 76.95595 20.46507 5.996864       28.30816 
1 1 1 7  10 38  o 161.7237 12.22914 1.857198       0.2710730     2.044724       0.3850904     1.673015       0.3816431     167.7184 16.85636 150.6630 18.75046 17.05544       25.21342 
1 1 1 7  10 39  o 74.49571 15.18690 0.4102525      0.1509226     0.6843523      0.2155878     0.1468257      0.2113488     96.19852 16.84369 52.77438 20.40484 43.42414       26.45879 
1 1 1 7  10 40  o 36.88633 14.07631 0.6954415E-01  0.9968495E-01 0.1072642      0.1402525     0.3103589E-01  0.1417104     44.26409 16.74310 38.54358 16.05664 5.720509       23.19800 
1 1 1 7  10 41  o 48.60195 15.37517 0.1682348      0.1155891     0.2570707      0.1622674     0.7672096E-01  0.1646950     59.13713 18.14161 44.09627 17.70936 15.04086       25.35230 
1 1 1 7  10 42  o 134.8939 12.67356 1.301540       0.2332957     1.181129       0.3296197     1.422405       0.3302411     125.4574 19.67441 138.9324 17.60954 -13.47503      26.40414 
1 1 1 7  10 43  o 93.95258 14.01786 0.6431051      0.1762917     0.5180956      0.2470746     0.7727519      0.2516156     81.78427 21.56917 101.3342 18.67013 -19.54996      28.52723 
1 1 1 7  10 44  o 143.5907 12.71345 1.476844       0.2494680     1.265369       0.3491561     1.697385       0.3565625     129.3431 20.21090 151.7814 17.32326 -22.43831      26.61909 
1 1 1 7  10 45  o 99.17469 14.00501 0.7174124      0.1864516     0.7797106      0.2602752     0.6517418      0.2672269     101.2275 19.32564 91.44144 21.52192 9.786057       28.92531 
1 1 1 7  10 46  o 146.1758 12.75945 1.535812       0.2549588     2.001569       0.3616843     1.075770       0.3594585     165.2117 16.05730 116.9618 23.07661 48.24991       28.11347 
1 1 1 7  10 47  o 141.6929 12.81851 1.446742       0.2480823     1.693670       0.3514351     1.201475       0.3502505     151.0133 17.15818 124.6955 21.09412 26.31780       27.19127 
1 1 1 7  10 48  o 77.70615 15.70292 0.4544844      0.1626931     0.4967003      0.2300876     0.4122721      0.2300780     79.44288 20.74874 72.47887 21.46684 6.964012       29.85524 
1 1 1 7  10 49  o 108.7908 13.64964 0.8659540      0.2005321     0.8189811      0.2814497     0.9143870      0.2857904     102.2620 20.64328 108.7050 19.76791 -6.442932      28.58173 
1 1 1 7  10 50  f 86.87309 14.79010 0.5635029      0.1710597     0.6084793      0.2392253     0.5164453      0.2446973     87.83025 20.15299 80.24120 21.60466 7.589050       29.54495 
1 1 1 7  10 51  f 56.06737 16.51023 0.2390682      0.1364341     0.1432733      0.1895891     0.3419635      0.1964897     49.85380 19.31183 66.02929 19.90252 -16.17549      27.73188 
1 1 1 7  10 52  o 113.2365 13.73311 0.9459808      0.2103374     1.061338       0.2965925     0.8292607      0.2983393     116.8114 19.04437 101.1060 21.99524 15.70535       29.09431 
1 1 1 7  10 53  o 97.94180 14.53647 0.7183363      0.1906262     0.8942569      0.2681587     0.5386198      0.2710365     106.8672 18.86183 80.31451 23.16265 26.55273       29.87100 
1 1 1 7  10 54  o 89.81155 15.38931 0.6135455      0.1839822     0.7270575      0.2555908     0.4914788      0.2650471     95.09877 20.09336 76.54496 23.12502 18.55381       30.63511 
1 1 1 7  10 55  o 52.54945 15.31534 0.2118037      0.1179400     0.4003743      0.1607621     -0.7975871E-02 0.1735564     71.51663 16.59919 38.63997 16.95174 32.87667       23.72540 
1 1 1 7  10 56  o 56.90658 16.90584 0.2534899      0.1425353     -0.2205173E-01 0.1964008     0.5601124      0.2071818     40.07419 17.78655 83.67534 18.42955 -43.60115      25.61269 
1 1 1 7  10 57  o 101.3357 15.08148 0.7830148      0.2045981     1.090821       0.2907478     0.4810772      0.2879630     117.2617 18.57560 74.35135 24.33622 42.91037       30.61543 
1 1 1 7  10 58  o 65.10314 17.09759 0.3382309      0.1556751     0.4243608      0.2171936     0.2472332      0.2232468     71.22128 20.79111 57.42128 21.24425 13.79999       29.72521 
1 1 1 7  10 59  o 54.73436 16.92829 0.2352528      0.1409613     0.1301860      0.1944297     0.3516697      0.2046624     48.09187 19.26723 65.16438 20.43797 -17.07251      28.08802 
1 1 1 7  10 60  o 69.38472 18.82333 0.3954905      0.1849218     0.3318882      0.2298710     0.5121434      0.3113119     63.34037 21.75737 75.26741 25.32514 -11.92704      33.38781 
1 1 1 7  10 61  o 36.04434 14.94736 0.4354444E-01  0.1220110     -0.8547169E-01 0.1635455     0.2054795      0.1832259     33.45321 15.39100 52.73425 19.28941 -19.28104      24.67720 
1 1 1 7  10 62  o 76.96350 16.58191 0.4713628      0.1710210     0.4806114      0.2371837     0.4613470      0.2468249     74.58880 21.71328 72.75141 22.38396 1.837387       31.18507 
1 1 1 7  10 63  o 50.75572 17.06666 0.1979510      0.1413794     0.2551242      0.1936138     0.1326420      0.2069314     56.76419 19.94102 48.66581 19.74266 8.098381       28.06095 
1 1 1 7  10 64  o 49.40192 14.88586 0.1892765      0.1099317     0.1668961      0.1688885     0.2057299      0.1448086     48.97358 18.40643 51.54365 17.27269 -2.570065      25.24168 
1 1 1 7  10 65  o 31.65711 12.76302 0.4156493E-01  0.8590320E-01 -0.8184480E-01 0.1296294     0.1381953      0.1147059     29.37589 13.58182 43.83500 15.35153 -14.45911      20.49721 
1 1 1 7  10 66  o 57.61972 16.84678 0.2663152      0.1425031     0.1827428      0.1881560     0.3787397      0.2182315     51.00966 19.36919 66.65685 21.13034 -15.64719      28.66456 
1 1 1 7  10 67  o 81.31393 14.87879 0.5130008      0.1609028     0.4442134      0.1922747     0.6737325      0.2939131     73.22077 18.89165 86.57824 23.83227 -13.35747      30.41170 
1 1 1 7  10 68  o 96.18269 13.73943 0.7026550      0.1772894     0.9753451      0.2428093     0.3912610      0.2594692     111.7177 16.21361 67.19735 23.11379 44.52036       28.23346 
1 1 1 7  10 69  f 53.00190 14.58346 0.2196810      0.1100826     0.1990129      0.1617912     0.2374970      0.1502133     51.34183 18.20925 54.67545 17.55194 -3.333622      25.29126 
1 1 1 7  10 70  o 155.4848 11.47488 1.777684       0.2446214     2.096579       0.3775540     1.546961       0.3211452     163.2354 16.99987 140.1293 16.94116 23.10606       23.99997 
1 1 1 7  10 71  o 86.23397 12.69763 0.5612187      0.1466697     0.5337620      0.2076839     0.5885375      0.2071616     80.02879 19.06572 84.75932 18.24088 -4.730530      26.38620 
1 1 1 7  10 72  o 79.55968 12.21193 0.4772364      0.1298714     0.3187572      0.1828748     0.6384879      0.1844674     61.65202 19.31675 90.23131 15.35559 -28.57929      24.67653 
1 1 1 7  10 73  o 112.1882 12.69719 0.9505076      0.1932319     1.035538       0.3135439     0.8984350      0.2453663     109.0617 21.58442 105.2205 17.50279 3.841202       27.78912 
1 1 1 7  10 74  o 68.40479 15.73695 0.3788106      0.1455502     0.4497944      0.2392644     0.3371114      0.1833844     70.14448 22.11339 62.57827 19.30073 7.566208       29.35166 
1 1 1 7  10 75  o 51.64175 15.89290 0.2177537      0.1244202     0.2712420      0.2021332     0.1851255      0.1578719     56.30064 20.31088 48.80068 17.89686 7.499962       27.07082 
1 1 1 7  10 76  o 37.55082 14.05085 0.9546052E-01  0.9820364E-01 0.8166929E-01  0.1396061     0.1089689      0.1381669     39.34322 16.11803 41.31694 16.34269 -1.973717      22.95375 
1 1 1 7  10 77  o 66.99953 13.94208 0.3634142      0.1247865     0.5044503      0.1773206     0.2250371      0.1756410     76.47393 17.20815 51.26019 18.86534 25.21374       25.53471 
1 1 1 7  10 78  o 82.92584 12.82214 0.5463122      0.1420841     0.7279097      0.2025750     0.3704710      0.1993386     92.23564 16.51187 61.76525 20.24944 30.47039       26.12818 
1 1 1 7  10 79  o 62.31220 14.65433 0.3307205      0.1239731     0.2819769      0.1732617     0.3818565      0.1774628     54.26752 18.87506 62.95169 18.90077 -8.684162      26.71155 
1 1 1 7  10 80  o 63.17843 15.70614 0.3570224      0.1364295     0.2150637      0.1782542     0.5577800      0.2119800     47.92032 18.68012 73.77555 20.21151 -25.85523      27.52185 
1 1 1 7  10 81  o 45.11413 15.58553 0.1866432      0.1180362     0.3010446      0.1541218     0.2434777E-01  0.1835700     54.64615 17.79997 36.33381 16.56123 18.31234       24.31282 
1 1 1 7  10 82  o 110.8967 13.48950 1.069815       0.2023084     0.8766186      0.2623004     1.353505       0.3178500     85.72954 22.03691 108.3217 22.00128 -22.59216      31.13971 
1 1 1 7  10 83  o 94.55233 14.50191 0.8342730      0.1832946     0.8191072      0.2392014     0.8558443      0.2852792     81.34874 21.11171 74.21265 24.21923 7.136086       32.12905 
1 1 1 7  10 84  o 76.94807 16.13391 0.6235186      0.1659480     0.5938036      0.2167686     0.6655917      0.2579347     62.83143 21.13261 60.54435 22.74862 2.287079       31.04975 
1 1 1 7  10 85  o 26.35682 12.31553 -0.1727392E-02 0.1110257     -0.1122183E-01 0.1291529     0.2515399E-01  0.2173178     27.16762 12.87437 31.79853 15.47534 -4.630909      20.13047 
1 1 1 7  10 86  o 25.75966 12.07167 0.1395827E-01  0.1080009     0.2226788E-01  0.1267219     -0.8098960E-02 0.2064604     27.05980 12.80265 28.75358 14.20944 -1.693773      19.12631 
1 1 1 7  10 87  o 32.99221 14.69402 0.1925302      0.1352018     0.1045179      0.1576812     0.4368903      0.2627383     28.65614 13.75587 34.38920 16.79722 -5.733065      21.71107 
1 1 1 7  10 88  o 25.59545 12.43993 0.8533958E-01  0.1391924     0.5533984E-01  0.1775841     0.1331318      0.2241424     25.01074 12.49391 26.30099 13.25932 -1.290251      18.21833 
1 1 1 7  10 89  o 24.06876 11.87307 0.1285232      0.1419304     -0.4116544E-01 0.1790220     0.4156593      0.2328755     21.19782 10.80573 26.51318 13.38473 -5.315365      17.20218 
1 1 1 7  10 90  o 20.85696 10.52443 0.1191644      0.1430067     -0.5647249E-01 0.1783007     0.4359067      0.2394409     18.76583 9.644411 22.44186 11.51866 -3.676033      15.02312 
1 1 1 7  10 91  o 18.37552 9.407634 0.1534946      0.1493965     0.2160443      0.1864122     0.4118179E-01  0.2497905     18.41433 9.482086 17.21936 8.939264 1.194971       13.03152 
1 1 1 7  10 92  o 15.36801 7.967880 0.1052541      0.1787589     0.1052541      0.1787589     0.000000       0.000000      15.36801 7.967880 ?        ?        0.000000       7.967880 
1 1 1 7  10 93  o 13.58006 7.072056 0.2317974      0.2705592     0.2317974      0.2705592     0.000000       0.000000      13.58006 7.072056 ?        ?        0.000000       7.072056 
1 1 1 7  10 94  o 12.21932 6.363737 0.1956409      0.2618024     0.1956409      0.2618024     0.000000       0.000000      12.21932 6.363737 ?        ?        0.000000       6.363737 
1 1 1 7  10 95  o 11.02210 5.733222 0.4458945      0.3236322     0.4458945      0.3236322     0.000000       0.000000      11.02210 5.733222 ?        ?        0.000000       5.733222 
1 1 1 7  10 96  o 9.566661 4.980193 -0.5760397E-02 0.2031485     -0.5760397E-02 0.2031485     0.000000       0.000000      9.566661 4.980193 ?        ?        0.000000       4.980193 
1 1 1 7  10 97  o ?        ?        0.2146921      0.2594610     0.2146921      0.2594610     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 7  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 1   o 95.29543 25.25421 0.7086055      0.3376534     0.000000       0.000000      0.7086055      0.3376534     ?        ?        95.29543 25.25421 0.000000       25.25421 
1 1 1 7  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 6   o 75.65805 24.01881 0.4288721      0.2818937     0.4288721      0.2818937     0.000000       0.000000      75.65805 24.01881 ?        ?        0.000000       24.01881 
1 1 1 7  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 8   o 94.69524 25.35931 0.7006872      0.3382193     0.000000       0.000000      0.7006872      0.3382193     ?        ?        94.69524 25.35931 0.000000       25.35931 
1 1 1 7  11 9   o 81.14340 24.76552 0.5036135      0.3028571     0.000000       0.000000      0.5036135      0.3028571     ?        ?        81.14340 24.76552 0.000000       24.76552 
1 1 1 7  11 10  o 70.07029 23.48458 0.3550426      0.2676952     0.000000       0.000000      0.3550426      0.2676952     ?        ?        70.07029 23.48458 0.000000       23.48458 
1 1 1 7  11 11  o 55.48805 18.11811 0.2175049      0.1596444     0.1690003      0.2185704     0.2729731      0.2337341     54.87617 20.86679 63.02046 21.92271 -8.144291      30.26596 
1 1 1 7  11 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 17  o 76.27490 24.22336 0.4391518      0.2866957     0.4391518      0.2866957     0.000000       0.000000      76.27490 24.22336 ?        ?        0.000000       24.22336 
1 1 1 7  11 18  o 64.36051 18.38515 0.3091851      0.1715189     0.3091851      0.1715189     0.000000       0.000000      64.36051 18.38515 ?        ?        0.000000       18.38515 
1 1 1 7  11 19  o 96.78545 18.73031 0.7020355      0.2412698     0.7020355      0.2412698     0.000000       0.000000      96.78545 18.73031 ?        ?        0.000000       18.73031 
1 1 1 7  11 20  o 136.9148 14.61666 1.351606       0.2720643     1.027770       0.3274546     2.073431       0.4888825     116.4856 21.13670 166.0142 21.85801 -49.52863      30.40613 
1 1 1 7  11 21  o 83.67050 14.14527 0.5112429      0.1576007     0.4430409      0.2173989     0.5867860      0.2288001     76.24865 20.29148 88.04050 19.34859 -11.79185      28.03769 
1 1 1 7  11 22  f 133.0865 12.55299 1.264536       0.2279598     1.291193       0.3192983     1.236822       0.3255605     132.3082 17.93983 129.0468 18.82449 3.261444       26.00383 
1 1 1 7  11 23  o 153.5308 12.32975 1.678431       0.2591844     1.779593       0.3648974     1.575425       0.3682093     155.9340 17.23509 145.8922 18.70888 10.04181       25.43758 
1 1 1 7  11 24  o 168.5815 12.22762 2.021529       0.2827003     2.353917       0.4003395     1.690933       0.3992598     180.0100 16.28247 150.6251 19.66579 29.38496       25.53159 
1 1 1 7  11 25  o 102.5443 13.46847 0.7602602      0.1860949     0.9569424      0.2626580     0.5620127      0.2637010     113.7459 17.26556 85.09350 22.20694 28.65237       28.12913 
1 1 1 7  11 26  o 39.91267 14.16526 0.1004559      0.9792425E-01 0.1611490      0.1294662     0.1931152E-01  0.1496981     48.43581 16.33156 38.60288 16.31791 9.832928       23.08667 
1 1 1 7  11 27  f 39.25839 14.19249 0.9396392E-01  0.9877069E-01 0.5478010E-01  0.1337406     0.1409775      0.1464947     39.27888 15.89369 47.54982 17.26993 -8.270939      23.47041 
1 1 1 7  11 28  o 77.70541 14.28190 0.4448205      0.1475941     0.5237728      0.2074586     0.3639030      0.2100244     83.01605 18.56358 69.14944 20.51668 13.86661       27.66841 
1 1 1 7  11 29  o 74.57677 14.58482 0.4120449      0.1448096     0.4300357      0.2030120     0.3934091      0.2066191     74.84814 19.46120 71.59665 20.08423 3.251495       27.96631 
1 1 1 7  11 30  o 91.33797 13.76199 0.6094102      0.1681810     0.6423528      0.2354392     0.5750867      0.2403237     91.67542 19.21351 86.15740 20.49830 5.518021       28.09518 
1 1 1 7  11 31  o 112.0082 13.16081 0.9081975      0.1996698     0.7276604      0.2782256     1.099923       0.2867174     96.56393 21.42628 121.3450 17.62739 -24.78104      27.74545 
1 1 1 7  11 32  o 70.03942 15.09302 0.3675214      0.1416635     0.5688796      0.1983191     0.1577310      0.2024291     86.76524 17.16106 52.30525 20.03557 34.45999       26.38041 
1 1 1 7  11 33  o 77.59760 14.87638 0.4489502      0.1535975     0.4303464      0.2151600     0.4682838      0.2193397     74.27467 20.36845 77.43999 20.27417 -3.165329      28.73875 
1 1 1 7  11 34  o 59.26471 15.64260 0.2654756      0.1298831     0.4542879      0.1792214     0.5661958E-01  0.1884942     77.12960 17.25908 44.51031 18.52832 32.61929       25.32142 
1 1 1 7  11 35  o 66.50282 15.22045 0.3340252      0.1367461     0.3274855      0.1881806     0.3413425      0.1990535     65.18932 19.43846 66.43922 20.03326 -1.249908      27.91389 
1 1 1 7  11 36  o 168.2188 12.50460 2.040935       0.2883807     1.449673       0.4024208     2.665102       0.4134673     135.4860 22.28541 189.9265 15.91250 -54.44046      27.38334 
1 1 1 7  11 37  o 101.1295 13.87613 0.7534913      0.1886606     0.6755245      0.2662883     0.8320678      0.2673276     91.96394 21.37596 103.4751 19.42319 -11.51117      28.88238 
1 1 1 7  11 38  o 106.6519 13.85429 0.8384165      0.1992095     0.8148245      0.2796725     0.8627138      0.2838230     101.4246 20.67092 104.6166 20.38029 -3.192024      29.02832 
1 1 1 7  11 39  o 151.5968 12.86098 1.673079       0.2666772     1.218591       0.3725375     2.150734       0.3819144     122.6504 22.83735 169.2626 16.55241 -46.61226      28.20509 
1 1 1 7  11 40  o 65.88242 16.88045 0.3373431      0.1542589     0.3872157      0.2127934     0.2821069      0.2239436     69.49844 20.65863 61.18140 21.44872 8.317039       29.77963 
1 1 1 7  11 41  o 116.4402 13.59754 1.001925       0.2145081     1.072308       0.3016165     0.9298905      0.3051345     116.8177 19.37767 107.2574 21.35343 9.560387       28.83510 
1 1 1 7  11 42  o 56.04776 16.38231 0.2424039      0.1347714     0.3710153      0.1851566     0.9748649E-01  0.1965439     68.14812 18.97574 46.85641 19.15199 21.29172       26.96066 
1 1 1 7  11 43  o 110.6165 13.78325 0.9111872      0.2059608     1.046785       0.2877799     0.7688015      0.2948954     115.3812 18.70317 95.82214 22.64612 19.55902       29.37100 
1 1 1 7  11 44  o 154.3564 12.96053 1.754536       0.2736823     1.478611       0.3815551     2.046934       0.3927794     134.9735 21.16877 162.5104 17.79453 -27.53687      27.65434 
1 1 1 7  11 45  o 59.84655 16.84743 0.2823485      0.1451208     0.1883654      0.1969815     0.3939102      0.2146140     52.55476 19.85117 69.06246 20.79646 -16.50770      28.74999 
1 1 1 7  11 46  o 42.31175 15.78576 0.1138118      0.1237734     0.5423416E-01  0.1675060     0.1854628      0.1836962     41.41729 17.37091 51.63488 19.23751 -10.21758      25.91969 
1 1 1 7  11 47  o 120.5034 13.58231 1.086079       0.2220595     0.9471935      0.3101879     1.232083       0.3180383     106.3065 21.86130 124.0146 19.19234 -17.70811      29.09059 
1 1 1 7  11 48  o 89.96513 15.00919 0.6215171      0.1798838     0.6607578      0.2484443     0.5782786      0.2607930     89.07996 20.60767 81.94524 22.40507 7.134720       30.44114 
1 1 1 7  11 49  o 95.74989 14.77374 0.7015980      0.1890443     0.9325139      0.2618227     0.4501027      0.2732405     108.1311 18.18066 71.80182 23.71587 36.32929       29.88275 
1 1 1 7  11 50  f 55.62381 16.82173 0.2448341      0.1401967     0.2757096      0.1913852     0.2090801      0.2059512     58.65519 19.85615 53.87758 20.31079 4.777615       28.40414 
1 1 1 7  11 51  o 76.60796 16.09665 0.4629889      0.1648621     0.6274283      0.2301324     0.2896323      0.2362899     87.10107 19.60726 60.23569 21.92468 26.86538       29.41320 
1 1 1 7  11 52  o 63.05156 16.53807 0.3181750      0.1457716     0.4214425      0.2029300     0.2080781      0.2095327     70.87740 19.91176 53.79167 20.43646 17.08572       28.53292 
1 1 1 7  11 53  o 79.53848 16.00213 0.4987517      0.1696616     0.5851077      0.2362093     0.4067197      0.2438485     83.09093 20.67189 68.56564 22.39236 14.52528       30.47532 
1 1 1 7  11 54  o 85.49322 18.35122 0.5956526      0.2101598     0.8960932      0.2501138     -0.1259215     0.3876135     105.8579 17.73862 49.66876 23.14206 56.18913       29.15842 
1 1 1 7  11 55  o 60.59763 22.07988 0.2978750      0.2397387     0.3481905      0.3332638     0.2439125      0.3451310     65.01400 25.48682 60.29055 25.08213 4.723450       35.75879 
1 1 1 7  11 56  o 69.33284 23.21470 0.4220833      0.2615756     0.5602716      0.3631537     0.2730876      0.3770872     76.62197 27.26967 62.46456 26.12144 14.15741       37.76194 
1 1 1 7  11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 58  o 82.76962 21.28150 0.5876253      0.2445818     0.8307601      0.3370360     0.3171480      0.3554825     95.15075 25.23839 63.96809 25.90219 31.18266       36.16489 
1 1 1 7  11 59  o 113.9081 20.41895 1.077619       0.3093658     1.689225       0.4351599     0.4526249      0.4398971     139.6762 23.38955 71.18618 28.81781 68.49003       37.11519 
1 1 1 7  11 60  o 82.44717 18.30783 0.5548276      0.2029968     0.8337560      0.3182507     0.3635028      0.2635776     96.56102 23.97830 65.27099 23.23188 31.29003       33.38681 
1 1 1 7  11 61  o 119.8942 14.35610 1.096048       0.2329425     1.222563       0.3275237     0.9665431      0.3313708     121.4515 20.24249 104.6093 23.51284 16.84220       31.02599 
1 1 1 7  11 62  o 63.76460 17.76157 0.3329757      0.1621893     0.4495689      0.2273534     0.2121512      0.2314420     72.01482 21.34163 54.54566 21.27909 17.46916       30.13744 
1 1 1 7  11 63  o 30.47293 13.53483 -0.2102259E-01 0.1139252     -0.6994754E-01 0.1540078     0.3810470E-01  0.1693057     32.85140 15.04796 40.02572 17.15034 -7.174324      22.81612 
1 1 1 7  11 64  o 46.61983 16.25232 0.1629046      0.1284919     0.2983133      0.1788038     0.1830382E-01  0.1847731     59.78460 19.14512 40.16578 17.55923 19.61883       25.97811 
1 1 1 7  11 65  o 43.26111 15.84497 0.1319381      0.1236900     0.1869406      0.1706782     0.7110042E-01  0.1795034     49.97880 18.55857 42.47668 17.90730 7.502121       25.78938 
1 1 1 7  11 66  o 53.05279 16.88989 0.2295658      0.1393162     0.1792427      0.1922667     0.2851956      0.2021503     49.89194 19.41386 57.90285 20.37359 -8.010910      28.14216 
1 1 1 7  11 67  o 65.23976 17.25693 0.3595790      0.1578537     0.4648894      0.2204591     0.2487848      0.2261263     71.37723 20.97838 54.95331 21.14568 16.42392       29.78645 
1 1 1 7  11 68  o 81.06624 16.83354 0.5512345      0.1822684     0.5410473      0.2542269     0.5620096      0.2614580     74.52641 22.67788 75.65414 22.99304 -1.127731      32.29499 
1 1 1 7  11 69  o 65.86845 13.65605 0.3489189      0.1201283     0.4203461      0.1689710     0.2759216      0.1708181     69.33938 17.61356 55.66165 18.75933 13.67773       25.73228 
1 1 1 7  11 70  o 61.83594 14.14683 0.3152420      0.1181737     0.3627028      0.1666266     0.2672115      0.1676236     63.21014 18.14142 54.29359 18.58170 8.916546       25.96903 
1 1 1 7  11 71  o 45.07937 14.31806 0.1698549      0.1001638     0.9458267E-01  0.1397895     0.2492790      0.1435930     39.15831 16.09542 52.54577 17.18440 -13.38746      23.54498 
1 1 1 7  11 72  o 63.94070 13.92046 0.3443057      0.1194189     0.3853438      0.1680925     0.3024856      0.1696863     63.47796 18.22186 55.66593 18.69740 7.812031       26.10802 
1 1 1 7  11 73  o 71.41463 13.56410 0.4309889      0.1288658     0.4203785      0.1812122     0.4418445      0.1832931     64.17196 19.06154 65.92287 19.05829 -1.750916      26.95479 
1 1 1 7  11 74  o 67.72490 13.90078 0.4013209      0.1256387     0.5487621      0.1772072     0.2522954      0.1781566     74.95955 17.44745 48.69891 18.76075 26.26064       25.61990 
1 1 1 7  11 75  o 50.04055 14.74695 0.2386425      0.1088108     0.1257359      0.1527984     0.3548084      0.1549882     38.74250 16.43746 57.42076 17.74916 -18.67826      24.19138 
1 1 1 7  11 76  o 34.97334 13.53740 0.1072406      0.9310725E-01 0.4128769E-01  0.1300935     0.1764978      0.1333126     31.71184 14.24730 40.96334 16.10052 -9.251497      21.49913 
1 1 1 7  11 77  o 51.03629 15.17711 0.2803397      0.1148326     0.1826945      0.1607419     0.3821151      0.1641062     39.05767 16.72260 53.67112 18.38562 -14.61345      24.85309 
1 1 1 7  11 78  o 36.88057 14.69206 0.1592431      0.1124027     0.6250539E-01  0.1417247     0.3232654      0.1845437     30.83945 14.23840 43.62996 18.26187 -12.79050      23.15660 
1 1 1 7  11 79  o 42.43960 15.94155 0.2630818      0.1266490     0.2544035      0.1607869     0.2772677      0.2055716     38.28119 16.56039 36.85369 17.06182 1.427502       23.77714 
1 1 1 7  11 80  o 31.26277 13.64577 0.1391620      0.1112021     0.2933156      0.1418775     -0.1063836     0.1790618     39.07369 16.15398 24.31884 12.20533 14.75485       20.24651 
1 1 1 7  11 81  o 29.45914 13.24088 0.1487522      0.1125001     0.1497349      0.1431746     0.1471663      0.1818805     28.32208 13.46018 27.53614 13.55583 0.7859364      19.10332 
1 1 1 7  11 82  o 26.69218 12.74621 0.1748310      0.1315738     0.3366984      0.1859236     0.1244086E-01  0.1862236     28.46345 13.95061 22.58410 11.46370 5.879349       18.05647 
1 1 1 7  11 83  o 24.90057 12.39220 0.3147934      0.1679050     0.3697034      0.2073216     0.2101272      0.2862343     24.00619 12.17617 21.48486 11.09243 2.521330       16.47122 
1 1 1 7  11 84  o 18.20597 9.254888 0.4989046E-01  0.1245600     0.3687396E-01  0.1538768     0.7463096E-01  0.2121438     18.05725 9.265819 18.33475 9.469049 -0.2774982     13.24833 
1 1 1 7  11 85  f 14.39546 7.411093 -0.1034576     0.1129010     -0.1034576     0.1129010     0.000000       0.000000      14.39546 7.411093 ?        ?        0.000000       7.411093 
1 1 1 7  11 86  f 12.18351 6.296814 -0.1740610     0.9779420E-01 -0.1740610     0.9779420E-01 0.000000       0.000000      12.18351 6.296814 ?        ?        0.000000       6.296814 
1 1 1 7  11 87  o 13.06121 6.802040 0.2563873      0.2683294     0.2563873      0.2683294     0.000000       0.000000      13.06121 6.802040 ?        ?        0.000000       6.802040 
1 1 1 7  11 88  o 11.82900 6.159846 0.2276788      0.2619513     0.2276788      0.2619513     0.000000       0.000000      11.82900 6.159846 ?        ?        0.000000       6.159846 
1 1 1 7  11 89  o 10.49142 5.463524 0.3814586E-01  0.2047551     0.3814586E-01  0.2047551     0.000000       0.000000      10.49142 5.463524 ?        ?        0.000000       5.463524 
1 1 1 7  11 90  o 9.289430 4.836350 -0.2885620E-01 0.1804333     -0.2885620E-01 0.1804333     0.000000       0.000000      9.289430 4.836350 ?        ?        0.000000       4.836350 
1 1 1 7  11 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 97  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 1   o 167.4115 26.98278 2.308892       0.6025466     0.000000       0.000000      2.308892       0.6025466     ?        ?        167.4115 26.98278 0.000000       26.98278 
1 1 1 7  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 3   f 106.8481 28.02869 0.9743955      0.4186761     0.9743955      0.4186761     0.000000       0.000000      106.8481 28.02869 ?        ?        0.000000       28.02869 
1 1 1 7  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 7   o 86.09603 27.28131 0.6241524      0.3638059     0.6241524      0.3638059     0.000000       0.000000      86.09603 27.28131 ?        ?        0.000000       27.28131 
1 1 1 7  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 9   o 57.09948 21.75625 0.2070041      0.2379029     0.000000       0.000000      0.2070041      0.2379029     ?        ?        57.09948 21.75625 0.000000       21.75625 
1 1 1 7  12 10  o 61.52668 23.21744 0.2558434      0.2692858     0.000000       0.000000      0.2558434      0.2692858     ?        ?        61.52668 23.21744 0.000000       23.21744 
1 1 1 7  12 11  o 61.93417 20.01007 0.2928567      0.1949967     0.5768960      0.2772020     0.1462434E-01  0.2743539     84.07366 23.14566 49.23571 21.46375 34.83795       31.56603 
1 1 1 7  12 12  f 55.46143 21.82254 0.1767866      0.2451554     0.000000       0.000000      0.1767866      0.2451554     ?        ?        55.46143 21.82254 0.000000       21.82254 
1 1 1 7  12 13  o 69.27011 24.56786 0.3703327      0.2945137     0.000000       0.000000      0.3703327      0.2945137     ?        ?        69.27011 24.56786 0.000000       24.56786 
1 1 1 7  12 14  o 49.50571 20.35917 0.1000610      0.2238059     0.000000       0.000000      0.1000610      0.2238059     ?        ?        49.50571 20.35917 0.000000       20.35917 
1 1 1 7  12 15  o 56.75015 22.29951 0.1921581      0.2556660     0.000000       0.000000      0.1921581      0.2556660     ?        ?        56.75015 22.29951 0.000000       22.29951 
1 1 1 7  12 16  o 43.62128 18.88453 0.1391342E-01  0.2093963     0.000000       0.000000      0.1391342E-01  0.2093963     ?        ?        43.62128 18.88453 0.000000       18.88453 
1 1 1 7  12 17  o ?        ?        -0.2409693     0.5937064E-01 0.000000       0.000000      -0.2409693     0.5937064E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  12 18  o 60.19089 23.40974 0.2368118      0.2794520     0.000000       0.000000      0.2368118      0.2794520     ?        ?        60.19089 23.40974 0.000000       23.40974 
1 1 1 7  12 19  f 74.31262 20.71922 0.4461326      0.2205931     0.8825783      0.3064547     -0.2318271E-01 0.3177851     104.2033 21.98944 50.39191 22.47933 53.81142       31.44608 
1 1 1 7  12 20  o 87.91936 20.91655 0.6264291      0.2502400     0.7066780      0.3449516     0.5372850      0.3635674     90.13142 26.17056 79.06158 27.35083 11.06984       37.85454 
1 1 1 7  12 21  o 93.05104 20.19571 0.6949141      0.2520396     1.016188       0.3427970     0.3168787      0.3718482     110.8104 23.14999 67.20638 26.73838 43.60398       35.36755 
1 1 1 7  12 22  o 91.85019 28.44267 0.7662671      0.3977977     0.000000       0.000000      0.7662671      0.3977977     ?        ?        91.85019 28.44267 0.000000       28.44267 
1 1 1 7  12 23  o 135.2463 29.80022 1.669804       0.5415090     0.000000       0.000000      1.669804       0.5415090     ?        ?        135.2463 29.80022 0.000000       29.80022 
1 1 1 7  12 24  o 62.04069 24.18142 0.2697421      0.2986767     0.000000       0.000000      0.2697421      0.2986767     ?        ?        62.04069 24.18142 0.000000       24.18142 
1 1 1 7  12 25  o 54.63931 22.36371 0.1590296      0.2684503     0.000000       0.000000      0.1590296      0.2684503     ?        ?        54.63931 22.36371 0.000000       22.36371 
1 1 1 7  12 26  o 43.31569 19.26206 -0.2145336E-01 0.2314055     0.000000       0.000000      -0.2145336E-01 0.2314055     ?        ?        43.31569 19.26206 0.000000       19.26206 
1 1 1 7  12 27  o 60.62363 20.90092 0.2888684      0.2122248     0.6485267      0.2942550     -0.1010254     0.3063740     86.56216 23.85366 46.17596 21.17820 40.38621       31.89848 
1 1 1 7  12 28  o 79.85955 21.96331 0.5385394      0.2497518     0.5131863      0.3379763     0.5690381      0.3706908     76.11827 26.36850 79.11704 27.60340 -2.998772      38.17389 
1 1 1 7  12 29  o 65.97623 17.21459 0.3463910      0.1584828     0.6338791      0.1864218     -0.4029411     0.3009704     90.85111 15.41108 37.70440 18.31758 53.14671       23.93815 
1 1 1 7  12 30  o 155.3294 15.36619 1.831277       0.3252551     1.920748       0.3934698     1.638219       0.5779830     155.9174 18.64578 127.6025 32.66460 28.31496       37.61172 
1 1 1 7  12 31  o 177.6040 15.16231 2.387933       0.3682775     0.6419572      0.6217907     3.331392       0.4570741     80.86640 33.65620 208.9575 15.96204 -128.0911      37.24952 
1 1 1 7  12 32  o 68.56696 18.75179 0.3834097      0.1826531     0.6918289      0.3184747     0.2322351      0.2229685     87.75484 25.04697 56.33298 21.15363 31.42186       32.78455 
1 1 1 7  12 33  o 86.02074 18.30378 0.5961750      0.2107329     0.3837151      0.3613257     0.7056958      0.2594233     68.15686 26.58809 91.86878 20.91902 -23.71192      33.83094 
1 1 1 7  12 34  o 55.03595 18.34196 0.2368027      0.1633062     0.1165533      0.2813449     0.2979032      0.2005486     52.37980 22.26707 60.65345 20.32696 -8.273647      30.14976 
1 1 1 7  12 35  o 87.81834 18.27030 0.6223865      0.2143343     0.7206700      0.3742550     0.5744190      0.2614573     86.76295 27.68925 81.33785 22.51386 5.425102       35.68709 
1 1 1 7  12 36  o 106.6836 17.11600 0.8971266      0.2436129     1.147594       0.4174364     0.7677639      0.2999988     110.6519 27.45242 93.61265 23.30044 17.03923       36.00758 
1 1 1 7  12 37  o 61.59763 18.95714 0.3100857      0.1770224     0.1345902      0.3016168     0.4023036      0.2186403     54.02047 23.01204 68.87707 21.04655 -14.85660      31.18511 
1 1 1 7  12 38  o 95.01206 14.95830 0.6952704      0.1897565     0.7848098      0.2626008     0.5974271      0.2745076     97.14584 20.23356 82.19429 23.18248 14.95155       30.77051 
1 1 1 7  12 39  o 50.14836 16.60904 0.1929380      0.1339823     0.2873524      0.1536101     -0.1073138     0.2739322     59.67646 17.50327 42.84394 19.78585 16.83252       26.41674 
1 1 1 7  12 40  o 44.90334 16.71192 0.1357815      0.1385573     0.1052418      0.1591665     0.2313351      0.2815421     43.80181 17.47250 57.71474 23.16298 -13.91293      29.01399 
1 1 1 7  12 41  o 40.12975 15.73992 0.8958239E-01  0.1271579     0.1567375      0.1451719     -0.1317575     0.2635559     47.07058 17.17712 41.18692 19.15420 5.883652       25.72813 
1 1 1 7  12 42  o 50.31556 17.78705 0.1895771      0.1542545     0.2340273      0.1791753     0.6229012E-01  0.3032029     54.77268 19.18634 50.85450 22.35576 3.918186       29.46007 
1 1 1 7  12 43  o 46.45542 20.72130 0.3250345E-02  0.2699528     0.000000       0.000000      0.3250345E-02  0.2699528     ?        ?        46.45542 20.72130 0.000000       20.72130 
1 1 1 7  12 44  o 35.71209 16.78148 -0.1565091     0.2111558     0.000000       0.000000      -0.1565091     0.2111558     ?        ?        35.71209 16.78148 0.000000       16.78148 
1 1 1 7  12 45  o 47.85055 21.02094 0.4062417E-01  0.2676769     0.000000       0.000000      0.4062417E-01  0.2676769     ?        ?        47.85055 21.02094 0.000000       21.02094 
1 1 1 7  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 48  o 47.69207 18.31084 0.1493851      0.1693210     0.1493851      0.1693210     0.000000       0.000000      47.69207 18.31084 ?        ?        0.000000       18.31084 
1 1 1 7  12 49  o 60.08972 19.81738 0.2961233      0.1908182     0.2961233      0.1908182     0.000000       0.000000      60.08972 19.81738 ?        ?        0.000000       19.81738 
1 1 1 7  12 50  o 44.04096 16.65604 0.1265551      0.1387838     0.1911292      0.1597337     -0.7232186E-01 0.2803236     50.56522 18.07605 44.34135 20.30769 6.223869       27.18724 
1 1 1 7  12 51  o 79.47153 16.05901 0.5005172      0.1701621     0.4403553      0.2390335     0.5623298      0.2422906     70.92413 22.06204 80.55047 21.41474 -9.626335      30.74613 
1 1 1 7  12 52  o 101.9386 14.87550 0.8040371      0.2032191     0.8590045      0.2839402     0.7463103      0.2909795     100.1957 21.18524 91.44190 23.05167 8.753822       31.30804 
1 1 1 7  12 53  o 78.30631 16.47855 0.4925825      0.1725372     0.5277483      0.2401375     0.4550565      0.2480645     77.37206 21.63369 71.31300 22.52009 6.059052       31.22772 
1 1 1 7  12 54  o 94.77735 18.04269 0.7376137      0.2275008     1.110569       0.2783742     -0.1243543E-01 0.3947711     116.9445 17.80069 52.07808 23.94222 64.86639       29.83445 
1 1 1 7  12 55  o 76.05055 18.87712 0.4915728      0.1973066     0.5511019      0.2427120     0.3755790      0.3388005     78.27885 21.70058 64.54854 25.57249 13.73032       33.53904 
1 1 1 7  12 56  o 62.56691 16.79577 0.3252292      0.1481501     0.4570485      0.2099667     0.1945356      0.2090681     71.80672 20.28262 51.39145 20.17436 20.41528       28.60751 
1 1 1 7  12 57  o 56.46596 17.00055 0.2674422      0.1434271     0.3761998      0.2026057     0.1581878      0.2030681     64.68568 20.34271 48.45979 19.59299 16.22589       28.24378 
1 1 1 7  12 58  o 71.59379 18.96452 0.4540940      0.1904643     0.7314333      0.2359792     -0.6425594E-01 0.3226113     91.25427 19.32897 45.07269 21.03807 46.18159       28.56938 
1 1 1 7  12 59  o 39.38240 15.96570 0.8954872E-01  0.1352300     0.2790422      0.1682716     -0.2560077     0.2272339     56.11305 18.61480 32.97482 15.99596 23.13823       24.54346 
1 1 1 7  12 60  o 61.51926 19.12766 0.3504933      0.1796998     0.7046880      0.2234579     -0.2978492     0.3023269     88.65684 18.83464 37.25753 18.15845 51.39931       26.16243 
1 1 1 7  12 61  o 51.36136 17.98998 0.2361090      0.1575255     0.3954763      0.1948009     -0.6500685E-01 0.2677678     63.90569 19.92262 40.37653 18.94907 23.52916       27.49505 
1 1 1 7  12 62  o 26.83253 12.12861 -0.2322474E-01 0.9595878E-01 -0.2874545E-01 0.1352630     -0.1763105E-01 0.1361538     31.14395 14.20359 31.79695 14.40308 -0.6530037     20.22846 
1 1 1 7  12 63  o 24.75726 11.24566 -0.2607534E-01 0.8371894E-01 0.3015472E-01  0.1217523     -0.7650664E-01 0.1153036     32.86066 14.31258 26.35076 12.38837 6.509901       18.92939 
1 1 1 7  12 64  o 45.68317 16.03128 0.1908690      0.1251190     0.3308749      0.1782491     0.5488675E-01  0.1756690     56.20457 19.16194 37.58136 16.74277 18.62321       25.44603 
1 1 1 7  12 65  o 31.86905 13.49252 0.5107346E-01  0.1026033     0.1775495      0.1459274     -0.7258413E-01 0.1442923     43.45577 16.91222 29.00870 13.70525 14.44707       21.76826 
1 1 1 7  12 66  o 32.28763 13.61013 0.6227006E-01  0.1036695     -0.1140977     0.1501423     0.2229680      0.1433173     27.57943 13.28592 46.17378 17.03373 -18.59435      21.60240 
1 1 1 7  12 67  o 40.25063 15.46631 0.1623838      0.1208607     0.9758095E-01  0.1731773     0.2239187      0.1687541     36.62987 16.44874 43.83134 17.81160 -7.201466      24.24488 
1 1 1 7  12 68  o 35.50848 14.61805 0.1182841      0.1155292     0.2136930      0.1660133     0.2869122E-01  0.1608737     41.59853 17.35835 32.02565 14.91737 9.572884       22.88756 
1 1 1 7  12 69  o 21.55381 10.22089 -0.4590004E-01 0.8166833E-01 -0.2744672E-01 0.1183968     -0.6264973E-01 0.1127993     26.08170 12.35017 24.18031 11.61456 1.901388       16.95361 
1 1 1 7  12 70  o 32.13528 13.91520 0.1091818      0.1137459     -0.7875560E-01 0.1623590     0.2903394      0.1594036     26.28557 12.91402 42.19463 17.24730 -15.90906      21.54626 
1 1 1 7  12 71  o 31.34186 13.74881 0.1203607      0.1141459     0.1711579      0.1653699     0.7413533E-01  0.1577526     32.93470 15.26699 29.29692 13.98080 3.637775       20.70130 
1 1 1 7  12 72  o 25.70817 11.99062 0.5084353E-01  0.1044898     0.5967985E-01  0.1496339     0.4243398E-01  0.1459758     26.91062 13.03677 26.32248 12.78084 0.5881405      18.25671 
1 1 1 7  12 73  o 19.69662 9.630300 -0.3943478E-01 0.8700951E-01 -0.1808350     0.1246724     0.9483737E-01  0.1214894     18.86696 9.555601 26.07171 12.39311 -7.204746      15.64924 
1 1 1 7  12 74  o 27.03872 12.74633 0.1782342      0.1235600     0.3000010      0.1760632     0.6005965E-01  0.1734467     27.83981 13.63020 23.03724 11.62026 4.802572       17.91125 
1 1 1 7  12 75  o 16.82680 8.424870 -0.5517283E-01 0.8287816E-01 -0.3960123E-02 0.1193920     -0.1028015     0.1151385     19.37335 9.755418 17.45238 8.874406 1.920971       13.18800 
1 1 1 7  12 76  o 19.14859 9.805464 0.1149876      0.1631127     0.1149876      0.1631127     0.000000       0.000000      19.14859 9.805464 ?        ?        0.000000       9.805464 
1 1 1 7  12 77  o 17.60126 9.072458 0.1911167      0.1775610     0.1911167      0.1775610     0.000000       0.000000      17.60126 9.072458 ?        ?        0.000000       9.072458 
1 1 1 7  12 78  o 15.41009 8.020849 0.3815001      0.2917307     0.3815001      0.2917307     0.000000       0.000000      15.41009 8.020849 ?        ?        0.000000       8.020849 
1 1 1 7  12 79  o 13.40579 6.976304 0.8113306E-01  0.2090319     0.8113306E-01  0.2090319     0.000000       0.000000      13.40579 6.976304 ?        ?        0.000000       6.976304 
1 1 1 7  12 80  o 12.02910 6.259263 -0.4234097E-01 0.1650277     -0.4234097E-01 0.1650277     0.000000       0.000000      12.02910 6.259263 ?        ?        0.000000       6.259263 
1 1 1 7  12 81  f 11.40603 5.938605 0.2841105      0.2688700     0.2841105      0.2688700     0.000000       0.000000      11.40603 5.938605 ?        ?        0.000000       5.938605 
1 1 1 7  12 82  o 10.21833 5.319061 0.1560284      0.2350391     0.1560284      0.2350391     0.000000       0.000000      10.21833 5.319061 ?        ?        0.000000       5.319061 
1 1 1 7  12 83  o 8.857422 4.612303 -0.8276815E-01 0.1514813     -0.8276815E-01 0.1514813     0.000000       0.000000      8.857422 4.612303 ?        ?        0.000000       4.612303 
1 1 1 7  12 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 91  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 1   o 107.7787 29.74058 1.150315       0.4570560     0.000000       0.000000      1.150315       0.4570560     ?        ?        107.7787 29.74058 0.000000       29.74058 
1 1 1 7  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 9   o 94.25612 28.82328 0.8773179      0.4099789     0.000000       0.000000      0.8773179      0.4099789     ?        ?        94.25612 28.82328 0.000000       28.82328 
1 1 1 7  13 10  o ?        ?        -0.2389113     0.6038989E-01 0.000000       0.000000      -0.2389113     0.6038989E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 18  o 49.53688 20.62086 0.1202843      0.2334767     0.000000       0.000000      0.1202843      0.2334767     ?        ?        49.53688 20.62086 0.000000       20.62086 
1 1 1 7  13 19  o 44.09721 19.42725 0.1493831E-01  0.2300897     0.000000       0.000000      0.1493831E-01  0.2300897     ?        ?        44.09721 19.42725 0.000000       19.42725 
1 1 1 7  13 20  o 33.87421 15.82833 -0.1282689     0.1834045     0.000000       0.000000      -0.1282689     0.1834045     ?        ?        33.87421 15.82833 0.000000       15.82833 
1 1 1 7  13 21  o 23.38309 11.55352 -0.2793132     0.1362958     0.000000       0.000000      -0.2793132     0.1362958     ?        ?        23.38309 11.55352 0.000000       11.55352 
1 1 1 7  13 22  o 57.67862 23.55607 0.2206040      0.2970228     0.000000       0.000000      0.2206040      0.2970228     ?        ?        57.67862 23.55607 0.000000       23.55607 
1 1 1 7  13 23  o 46.00955 17.37460 0.1407815      0.1508741     0.4807126      0.1925964     -0.3991803     0.2427360     76.56450 18.43751 32.34977 15.87243 44.21473       24.32850 
1 1 1 7  13 24  o 58.58005 23.76855 0.2363486      0.2999829     0.000000       0.000000      0.2363486      0.2999829     ?        ?        58.58005 23.76855 0.000000       23.76855 
1 1 1 7  13 25  f 39.04493 17.82640 -0.7245956E-01 0.2137995     0.000000       0.000000      -0.7245956E-01 0.2137995     ?        ?        39.04493 17.82640 0.000000       17.82640 
1 1 1 7  13 26  o 93.32425 30.00345 0.8917761      0.4388114     0.000000       0.000000      0.8917761      0.4388114     ?        ?        93.32425 30.00345 0.000000       30.00345 
1 1 1 7  13 27  o ?        ?        -0.3531523     0.7240149E-01 0.000000       0.000000      -0.3531523     0.7240149E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  13 28  o ?        ?        -0.3874223     0.7374409E-01 0.000000       0.000000      -0.3874223     0.7374409E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  13 29  o 47.35812 18.50192 0.1399364      0.1751672     0.3908387      0.2328475     -0.1871838     0.2658722     67.55755 21.87017 39.72187 18.71681 27.83567       28.78582 
1 1 1 7  13 30  o 42.18669 17.80956 0.5807196E-01  0.1779437     0.6963889E-01  0.2435456     0.4482609E-01  0.2606221     47.61180 20.48934 47.61326 20.83355 -0.1461029E-02 29.22071 
1 1 1 7  13 31  o 44.46170 19.56809 0.1816929E-01  0.2328916     0.1816929E-01  0.2328916     0.000000       0.000000      44.46170 19.56809 ?        ?        0.000000       19.56809 
1 1 1 7  13 32  o 64.27474 24.99406 0.3369877      0.3185182     0.3369877      0.3185182     0.000000       0.000000      64.27474 24.99406 ?        ?        0.000000       24.99406 
1 1 1 7  13 33  o 81.24839 20.93521 0.5639398      0.2363324     0.5639398      0.2363324     0.000000       0.000000      81.24839 20.93521 ?        ?        0.000000       20.93521 
1 1 1 7  13 34  o 115.1860 21.11823 1.117372       0.3235102     -0.1390285E-01 0.4637560     2.189713       0.4515145     56.14489 25.86295 162.5769 20.57335 -106.4320      33.04777 
1 1 1 7  13 35  o 92.16689 22.28010 0.7413284      0.2804166     0.5913143      0.4104536     0.8726319      0.3840044     77.24502 28.76068 94.49080 27.66293 -17.24578      39.90506 
1 1 1 7  13 36  o 56.46431 18.73240 0.2574100      0.1704034     0.1465938      0.3110719     0.3049206      0.2036825     54.41363 23.27934 60.57403 20.48425 -6.160404      31.00858 
1 1 1 7  13 37  o 36.28111 15.40077 0.3171331E-01  0.1342386     -0.1812659E-01 0.2638186     0.4912531E-01  0.1559341     44.87607 20.21334 39.51003 16.67527 5.366043       26.20389 
1 1 1 7  13 38  o 57.72520 18.68038 0.2737258      0.1698903     0.5695164      0.3043243     0.1398084      0.2047684     77.69319 24.98707 48.55504 19.65965 29.13815       31.79395 
1 1 1 7  13 39  o 48.21849 17.85206 0.1690305      0.1576997     0.2357282      0.3005231     0.1436853      0.1852553     57.52741 23.61726 47.62396 18.89636 9.903454       30.24645 
1 1 1 7  13 40  o 40.09533 16.22845 0.8170646E-01  0.1394744     -0.6908552E-01 0.2728891     0.1350256      0.1622702     43.26097 19.89510 45.62315 17.81230 -2.362171      26.70380 
1 1 1 7  13 41  o 44.91915 17.33397 0.1347748      0.1522903     0.4104797E-01  0.2966172     0.1683258      0.1774665     48.44067 21.65537 48.66608 18.73105 -0.2254066     28.63228 
1 1 1 7  13 42  o 31.83489 14.15659 -0.1684932E-01 0.1249916     -0.1720239     0.2617556     0.2898421E-01  0.1422582     38.86170 18.39064 36.49287 15.68098 2.368828       24.16834 
1 1 1 7  13 43  o 68.75320 16.68752 0.3932887      0.1568245     0.5392018      0.2249266     0.2552560      0.2187684     77.44885 20.65354 55.37067 20.91890 22.07818       29.39676 
1 1 1 7  13 44  o 72.72384 15.59660 0.4324369      0.1519213     0.5174101      0.2165095     0.3500212      0.2132264     75.71678 20.29519 61.96658 20.95865 13.75020       29.17464 
1 1 1 7  13 45  o 65.09358 16.97232 0.3618210      0.1541243     0.3535247      0.2202894     0.3697761      0.2157121     61.50661 21.28926 62.88663 21.08139 -1.380020      29.96094 
1 1 1 7  13 46  o 55.40773 18.01608 0.2688610      0.1579131     0.3378285      0.1930161     0.1292510      0.2746184     60.54696 19.92940 48.88704 21.38840 11.65992       29.23431 
1 1 1 7  13 47  o 48.96280 17.73344 0.2016257      0.1543076     0.2207684      0.1899580     0.1644877      0.2645853     50.86398 19.42635 49.51114 21.33119 1.352840       28.85139 
1 1 1 7  13 48  f 31.04881 13.74551 -0.7886037E-03 0.1165683     0.1712171E-02  0.1419980     -0.5956597E-02 0.2041296     33.82193 15.06153 38.55845 17.53216 -4.736519      23.11334 
1 1 1 7  13 49  o 37.80064 15.48688 0.8452705E-01  0.1288950     0.3129554      0.1594939     -0.3455423     0.2188458     58.13425 18.01119 29.59374 14.62553 28.54051       23.20149 
1 1 1 7  13 50  o 59.61760 18.72358 0.3429212      0.1717023     0.4361286      0.2126242     0.1682002      0.2911123     64.83972 20.88933 48.31571 21.53699 16.52401       30.00343 
1 1 1 7  13 51  o 33.11569 14.37511 0.3368047E-01  0.1219882     0.1767336      0.1543045     -0.2047388     0.1992052     45.10595 17.43639 30.62816 14.88502 14.47779       22.92578 
1 1 1 7  13 52  o 43.93901 17.10824 0.1702966      0.1493832     0.4629077      0.1878630     -0.3328741     0.2463505     67.35449 19.24146 31.07940 15.38826 36.27510       24.63803 
1 1 1 7  13 53  o 29.59050 13.36630 -0.5188873E-02 0.1163175     0.1626018      0.1480525     -0.2757760     0.1880119     42.67693 16.90563 27.34352 13.52147 15.33341       21.64787 
1 1 1 7  13 54  o 28.64146 13.08138 -0.1361637E-01 0.1152626     0.1066428      0.1475338     -0.2020082     0.1846559     37.96812 16.13221 28.35275 13.89768 9.615370       21.29305 
1 1 1 7  13 55  o 34.65596 14.82933 0.7935949E-01  0.1262724     0.2520988E-01  0.1557241     0.1833176      0.2157682     33.29095 15.20497 42.50063 18.76377 -9.209686      24.15099 
1 1 1 7  13 56  o 33.05880 13.92643 0.7895458E-01  0.1084338     0.3263009      0.1568979     -0.1472108     0.1500298     52.57070 17.97745 25.95064 12.67915 26.62005       21.99885 
1 1 1 7  13 57  o 33.30107 14.72615 0.7819675E-01  0.1334303     0.1765444      0.1662774     -0.9966348E-01 0.2236097     39.43128 16.94866 31.22255 15.30217 8.208731       22.83448 
1 1 1 7  13 58  o 35.54987 15.30726 0.1341667      0.1360878     0.9523296E-01  0.1704617     0.2025948      0.2259856     33.91400 15.64298 38.18053 17.74954 -4.266533      23.65902 
1 1 1 7  13 59  o 36.51530 15.87053 0.1762295      0.1490568     0.3984281      0.1867827     -0.2134201     0.2473450     47.62142 18.94921 27.98951 14.08738 19.63191       23.61201 
1 1 1 7  13 60  o 28.59577 13.20772 0.5635843E-01  0.1221278     0.1003382      0.1548681     -0.1597294E-01 0.1986089     31.15947 14.55480 28.60677 14.09887 2.552706       20.26377 
1 1 1 7  13 61  o 34.29576 15.41069 0.2084951      0.1522738     0.3377911      0.1895527     -0.2677523E-01 0.2556943     37.88590 17.09280 28.06795 14.15160 9.817947       22.19080 
1 1 1 7  13 62  o 19.94588 9.829506 -0.7679306E-01 0.9646897E-01 -0.2530133E-02 0.1237402     -0.1918751     0.1540382     24.02575 11.68906 21.25247 10.74745 2.773279       15.87897 
1 1 1 7  13 63  o 19.93839 9.847240 -0.5489850E-01 0.9864119E-01 -0.5316791E-01 0.1286386     -0.5736832E-01 0.1536764     21.57420 10.75450 22.38533 11.24485 -0.8111229     15.55976 
1 1 1 7  13 64  o 18.58691 9.270542 -0.6467497E-01 0.9615261E-01 -0.1944713E-01 0.1238913     -0.1331816     0.1524770     20.93821 10.45593 19.86929 10.11394 1.068920       14.54710 
1 1 1 7  13 65  f 13.87246 7.089672 -0.1973921     0.8140673E-01 -0.7712995E-01 0.1494839     -0.2480962     0.9706237E-01 19.18526 9.788216 14.42790 7.400387 4.757366       12.27090 
1 1 1 7  13 66  o 19.03049 9.698211 0.3821833E-01  0.1433696     -0.9195251E-01 0.2208841     0.1329819      0.1884640     18.40567 9.510818 19.94578 10.23624 -1.540110      13.97270 
1 1 1 7  13 67  o 16.55335 8.568835 -0.9518579E-01 0.1870690     -0.9518579E-01 0.1870690     0.000000       0.000000      16.55335 8.568835 ?        ?        0.000000       8.568835 
1 1 1 7  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 83  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 10  o 60.57512 23.19559 0.3069136      0.2712625     0.000000       0.000000      0.3069136      0.2712625     ?        ?        60.57512 23.19559 0.000000       23.19559 
1 1 1 7  14 11  o 41.08556 18.15987 0.9669164E-02  0.2026725     0.9669164E-02  0.2026725     0.000000       0.000000      41.08556 18.15987 ?        ?        0.000000       18.15987 
1 1 1 7  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 19  o 29.75180 13.98857 -0.1136760     0.1470703     0.000000       0.000000      -0.1136760     0.1470703     ?        ?        29.75180 13.98857 0.000000       13.98857 
1 1 1 7  14 20  o 30.13369 12.68491 0.2349772E-01  0.8985588E-01 0.4915872      0.1107033     -0.8804139     0.1538365     81.40446 10.06288 ?        ?        0.000000       10.06288 
1 1 1 7  14 21  o ?        ?        -0.4243155     0.6920944E-01 0.000000       0.000000      -0.4243155     0.6920944E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  14 22  o ?        ?        -0.3485990     0.6873861E-01 0.000000       0.000000      -0.3485990     0.6873861E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  14 23  o ?        ?        -0.3486108     0.6951459E-01 0.000000       0.000000      -0.3486108     0.6951459E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  14 24  o 44.58138 19.69371 0.6275224E-01  0.2380201     0.000000       0.000000      0.6275224E-01  0.2380201     ?        ?        44.58138 19.69371 0.000000       19.69371 
1 1 1 7  14 25  o 57.35333 23.63187 0.2977453      0.3022613     0.000000       0.000000      0.2977453      0.3022613     ?        ?        57.35333 23.63187 0.000000       23.63187 
1 1 1 7  14 26  o 52.13657 19.43276 0.2342850      0.1874834     0.4252650      0.2513292     -0.5323318E-02 0.2815139     65.00189 22.72606 43.98646 20.22071 21.01543       30.41958 
1 1 1 7  14 27  o 42.34971 19.11964 0.2477314E-01  0.2376382     0.000000       0.000000      0.2477314E-01  0.2376382     ?        ?        42.34971 19.11964 0.000000       19.11964 
1 1 1 7  14 28  o 42.91106 19.45044 0.2885494E-01  0.2487787     0.000000       0.000000      0.2885494E-01  0.2487787     ?        ?        42.91106 19.45044 0.000000       19.45044 
1 1 1 7  14 29  o ?        ?        -0.3508064     0.6629357E-01 0.000000       0.000000      -0.3508064     0.6629357E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 7  14 30  o 37.93071 16.31765 0.5868113E-01  0.1543627     0.2931988      0.2129353     -0.2010644     0.2240959     55.01548 20.66961 33.44697 16.14254 21.56851       26.22622 
1 1 1 7  14 31  o ?        ?        -0.4025303     0.4906324E-01 -0.2510242     0.7193174E-01 -0.5343371     0.6709253E-01 14.07621 7.142987 ?        ?        0.000000       7.142987 
1 1 1 7  14 32  o 28.16168 13.25628 -0.8720849E-01 0.1327534     0.3879869E-01  0.2027282     -0.1818051     0.1756525     39.56285 17.77906 29.40337 14.21534 10.15948       22.76336 
1 1 1 7  14 33  o 44.29392 18.25004 0.1540498      0.1802558     0.4619346E-01  0.2655482     0.2462156      0.2454740     42.64223 19.61615 50.58410 21.10773 -7.941860      28.81544 
1 1 1 7  14 34  o 26.76365 12.62076 -0.8266880E-01 0.1213175     -0.1529579     0.1869676     -0.3155389E-01 0.1594395     30.92192 14.87840 32.86240 15.14772 -1.940479      21.23253 
1 1 1 7  14 35  o 25.66290 12.17245 -0.8992071E-01 0.1159731     -0.1446012     0.1817735     -0.5238268E-01 0.1506087     30.48566 14.66894 30.95242 14.42286 -0.4667625     20.57174 
1 1 1 7  14 36  f 22.87840 11.04296 -0.1205829     0.1049355     -0.1969457     0.1719544     -0.7526994E-01 0.1324597     27.92057 13.62686 28.00778 13.20139 -0.8721161E-01 18.97283 
1 1 1 7  14 37  o 31.44949 13.28496 0.4877729E-01  0.9911250E-01 0.1577539      0.1401183     -0.6034864E-01 0.1402143     41.95024 16.50065 29.15761 13.69295 12.79263       21.44221 
1 1 1 7  14 38  o 16.16107 8.144073 -0.2350200     0.8408408E-01 -0.1257485     0.1442791     -0.2912215     0.1034722     26.88397 12.96934 17.67910 8.924633 9.204874       15.74334 
1 1 1 7  14 39  o 27.48572 12.92376 -0.5312337E-01 0.1255593     -0.1675106     0.2038737     0.1677484E-01  0.1593696     30.25356 14.78123 33.26202 15.26238 -3.008461      21.24677 
1 1 1 7  14 40  o 31.15844 14.27728 0.1038446E-01  0.1387968     0.4983493E-01  0.1998575     -0.2636851E-01 0.1929038     36.01442 16.72571 33.04500 15.68118 2.969425       22.92703 
1 1 1 7  14 41  o 26.46980 12.58110 -0.6120863E-01 0.1251429     -0.2573418E-01 0.1886757     -0.8907314E-01 0.1672184     32.20789 15.34775 28.92254 13.95520 3.285357       20.74370 
1 1 1 7  14 42  o 31.74390 14.70495 0.2820863E-01  0.1530347     0.1746137      0.2268008     -0.9416380E-01 0.2073521     39.27352 18.08948 30.64113 14.95669 8.632383       23.47194 
1 1 1 7  14 43  o 18.38983 9.110223 -0.1475707     0.8677346E-01 -0.3025888     0.1411587     -0.5341007E-01 0.1100148     20.90114 10.53519 24.58875 11.71776 -3.687616      15.75742 
1 1 1 7  14 44  o 28.27322 13.41801 -0.8275846E-02 0.1413036     0.2163146E-01  0.2123425     -0.3204527E-01 0.1893031     32.01400 15.51419 29.83843 14.50333 2.175571       21.23762 
1 1 1 7  14 45  o 34.86584 16.05472 0.1591412      0.1784756     -0.2073956E-01 0.2598228     0.3198464      0.2455839     31.09359 15.46467 39.07624 18.27751 -7.982656      23.94208 
1 1 1 7  14 46  o 30.82242 14.60209 0.8643655E-01  0.1659060     -0.5061135E-01 0.2409535     0.2099788      0.2287730     29.07508 14.52858 34.47036 16.55280 -5.395281      22.02441 
1 1 1 7  14 47  o 25.84475 12.58087 -0.1707190E-01 0.1438758     -0.2019292E-01 0.2135062     -0.1447568E-01 0.1947298     27.89578 13.89768 27.57678 13.65890 0.3190022      19.48618 
1 1 1 7  14 48  o 22.19356 10.60383 -0.1454871E-01 0.9132198E-01 -0.1772414     0.1343239     0.1252825      0.1245292     20.67252 10.40173 29.95663 13.64902 -9.284105      17.16076 
1 1 1 7  14 49  o 33.66226 14.79229 0.2270611      0.1326347     0.2336274      0.1874480     0.2204771      0.1876997     30.71461 14.80856 30.33304 14.67202 0.3815651      20.84614 
1 1 1 7  14 50  o 17.03596 8.582854 -0.1462972     0.9307356E-01 -0.2121532     0.1391494     -0.9297968E-01 0.1252041     19.10343 9.718027 20.44384 10.25296 -1.340412      14.12669 
1 1 1 7  14 51  o 18.62940 9.382889 -0.1058292     0.1107858     -0.1654153     0.1736063     -0.6489435E-01 0.1438931     20.31359 10.37919 20.82360 10.51349 -0.5100174     14.77366 
1 1 1 7  14 52  o 20.66178 10.44857 -0.4027613E-02 0.1455540     0.1495023      0.2210137     -0.1216180     0.1934233     22.72723 11.62040 20.02613 10.28313 2.701103       15.51697 
1 1 1 7  14 53  f 14.23390 7.269797 -0.1754306     0.8438095E-01 -0.1773280     0.1395593     -0.1743373     0.1059382     17.15605 8.804817 15.71053 8.033772 1.445523       11.91916 
1 1 1 7  14 54  o 19.96321 10.24507 0.2081410      0.1887349     0.1450191      0.2761365     0.2634800      0.2585531     18.99573 9.850036 19.59367 10.13441 -0.5979385     14.13257 
1 1 1 7  14 55  o 15.20210 7.827357 -0.1396412     0.1265935     0.000000       0.000000      -0.1396412     0.1265935     ?        ?        15.20210 7.827357 0.000000       7.827357 
1 1 1 7  14 56  o 12.35264 6.366938 -0.1997914     0.8736964E-01 0.000000       0.000000      -0.1997914     0.8736964E-01 ?        ?        12.35264 6.366938 0.000000       6.366938 
1 1 1 7  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 0   o 11.33697 8.334243 -0.2328369     0.8962624E-01 0.000000       0.000000      -0.2328369     0.8962624E-01 11.33697 8.334243 11.33697 8.334243 0.000000       0.000000 
1 1 1 7  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 10  o 29.33132 13.85600 -0.3454168E-01 0.1474030     0.000000       0.000000      -0.3454168E-01 0.1474030     ?        ?        29.33132 13.85600 0.000000       13.85600 
1 1 1 7  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 20  o 13.55617 6.854662 -0.1802193     0.6255825E-01 -0.1594851     0.1150546     -0.1889220     0.7453956E-01 21.00560 10.42080 15.22676 7.672575 5.778841       12.94069 
1 1 1 7  15 21  o 22.23648 11.00898 -0.1446114     0.1259894     -0.1446114     0.1259894     0.000000       0.000000      22.23648 11.00898 ?        ?        0.000000       11.00898 
1 1 1 7  15 22  o 18.91881 9.490658 -0.2005776     0.1076358     0.000000       0.000000      -0.2005776     0.1076358     ?        ?        18.91881 9.490658 0.000000       9.490658 
1 1 1 7  15 23  o 20.90884 10.44905 -0.1787569     0.1247794     0.000000       0.000000      -0.1787569     0.1247794     ?        ?        20.90884 10.44905 0.000000       10.44905 
1 1 1 7  15 24  o 25.55823 12.67415 -0.8693175E-01 0.1695100     0.000000       0.000000      -0.8693175E-01 0.1695100     ?        ?        25.55823 12.67415 0.000000       12.67415 
1 1 1 7  15 25  o 29.41831 14.58852 0.5434112E-01  0.2246125     0.000000       0.000000      0.5434112E-01  0.2246125     ?        ?        29.41831 14.58852 0.000000       14.58852 
1 1 1 7  15 26  o 32.51755 16.23521 0.3278120      0.2980647     0.000000       0.000000      0.3278120      0.2980647     ?        ?        32.51755 16.23521 0.000000       16.23521 
1 1 1 7  15 27  o 28.88845 14.47477 0.1163783      0.2467919     0.000000       0.000000      0.1163783      0.2467919     ?        ?        28.88845 14.47477 0.000000       14.47477 
1 1 1 7  15 28  o 23.77992 11.96150 -0.9424234E-01 0.1768759     0.000000       0.000000      -0.9424234E-01 0.1768759     ?        ?        23.77992 11.96150 0.000000       11.96150 
1 1 1 7  15 29  o 18.18700 9.224776 -0.2171246     0.1190298     0.000000       0.000000      -0.2171246     0.1190298     ?        ?        18.18700 9.224776 0.000000       9.224776 
1 1 1 7  15 30  o ?        ?        -0.2105261     0.4712595E-01 -0.2408804     0.6437665E-01 -0.1754793     0.6917397E-01 ?        ?        13.80659 7.006020 0.000000       7.006020 
1 1 1 7  15 31  o 24.00948 11.89259 0.5750763E-01  0.1476907     0.6289738E-01  0.2015313     0.5125500E-01  0.2170651     24.33908 12.30657 24.23518 12.30947 0.1039028      17.40616 
1 1 1 7  15 32  o 24.24837 12.38753 0.1516392      0.2463283     0.000000       0.000000      0.1516392      0.2463283     ?        ?        24.24837 12.38753 0.000000       12.38753 
1 1 1 7  15 33  o 20.55889 10.48976 -0.6566972E-01 0.1719181     0.000000       0.000000      -0.6566972E-01 0.1719181     ?        ?        20.55889 10.48976 0.000000       10.48976 
1 1 1 7  15 34  o 21.24988 10.91373 0.5731700E-01  0.2196375     0.000000       0.000000      0.5731700E-01  0.2196375     ?        ?        21.24988 10.91373 0.000000       10.91373 
1 1 1 7  15 35  o 21.14981 10.91420 0.2285938      0.2710716     0.000000       0.000000      0.2285938      0.2710716     ?        ?        21.14981 10.91420 0.000000       10.91420 
1 1 1 7  15 36  o 18.25849 9.400016 -0.4960995E-01 0.1817530     0.000000       0.000000      -0.4960995E-01 0.1817530     ?        ?        18.25849 9.400016 0.000000       9.400016 
1 1 1 7  15 37  o 18.46085 9.564766 0.1434362      0.2465390     0.000000       0.000000      0.1434362      0.2465390     ?        ?        18.46085 9.564766 0.000000       9.564766 
1 1 1 7  15 38  o 16.84736 8.721825 -0.9021907E-02 0.1949889     0.000000       0.000000      -0.9021907E-02 0.1949889     ?        ?        16.84736 8.721825 0.000000       8.721825 
1 1 1 7  15 39  o 16.40651 8.524551 0.1425227      0.2476562     0.000000       0.000000      0.1425227      0.2476562     ?        ?        16.40651 8.524551 0.000000       8.524551 
1 1 1 7  15 40  o 11.42597 5.902388 -0.2463044     0.8353917E-01 0.000000       0.000000      -0.2463044     0.8353917E-01 ?        ?        11.42597 5.902388 0.000000       5.902388 
1 1 1 7  15 41  o 14.62603 7.607322 0.1056600      0.2262738     0.000000       0.000000      0.1056600      0.2262738     ?        ?        14.62603 7.607322 0.000000       7.607322 
1 1 1 7  15 42  o 13.47741 7.008302 -0.2568180E-01 0.1859646     0.000000       0.000000      -0.2568180E-01 0.1859646     ?        ?        13.47741 7.008302 0.000000       7.008302 
1 1 1 7  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 0   o 13.57569 10.14406 0.2734282      0.2769071     0.000000       0.000000      0.2734282      0.2769071     13.57569 10.14406 13.57569 10.14406 0.000000       0.000000 
1 1 1 7  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 10  o 10.98485 5.678743 -0.1810216     0.8068973E-01 0.000000       0.000000      -0.1810216     0.8068973E-01 ?        ?        10.98485 5.678743 0.000000       5.678743 
1 1 1 7  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  0  0   o 242.2520 22.84146 4.183611       0.7484547     4.183611       0.7484547     0.000000       0.000000      242.2520 22.84146 242.2520 22.84146 0.000000       0.000000 
1 1 1 8  0  1   o 268.2011 15.94384 5.049113       0.5856836     4.179637       0.8156943     5.974408       0.8414704     240.4176 25.20507 290.3062 21.25336 0.000000       0.000000 
1 1 1 8  0  2   o 425.4315 23.27345 12.77138       1.357837      12.77138       1.357837      0.000000       0.000000      425.4315 23.27345 425.4315 23.27345 0.000000       0.000000 
1 1 1 8  0  3   o 504.2374 23.73749 17.91120       1.644406      17.91120       1.644406      0.000000       0.000000      504.2374 23.73749 504.2374 23.73749 0.000000       0.000000 
1 1 1 8  0  4   o 244.0719 22.79403 4.270298       0.7528058     4.270298       0.7528058     0.000000       0.000000      244.0719 22.79403 244.0719 22.79403 0.000000       0.000000 
1 1 1 8  0  5   o 339.5772 22.87596 8.171315       1.061472      8.171315       1.061472      0.000000       0.000000      339.5772 22.87596 339.5772 22.87596 0.000000       0.000000 
1 1 1 8  0  6   o 236.1725 22.84162 4.006617       0.7288937     4.006617       0.7288937     0.000000       0.000000      236.1725 22.84162 236.1725 22.84162 0.000000       0.000000 
1 1 1 8  0  7   o 214.5759 16.21274 3.253785       0.4740640     4.255372       0.6710794     2.256078       0.6697780     244.5756 20.18757 171.0760 31.50175 0.000000       0.000000 
1 1 1 8  0  8   o 221.5622 16.09892 3.464873       0.4865517     4.144199       0.6870797     2.781545       0.6891007     240.9715 21.01698 193.5395 27.36157 0.000000       0.000000 
1 1 1 8  0  9   o 344.1734 16.20903 8.289295       0.7664289     8.946377       1.083430      7.631086       1.084360      355.6093 22.26430 327.2979 24.30139 0.000000       0.000000 
1 1 1 8  0  10  f 663.0344 14.49113 30.56801       1.325280      27.26025       2.189263      32.48127       1.665017      621.3177 25.61696 682.3248 17.69907 0.000000       0.000000 
1 1 1 8  0  11  o 607.5566 14.14735 25.66726       1.185408      24.77534       2.018390      26.13689       1.464612      592.5287 24.76774 612.0034 17.36289 0.000000       0.000000 
1 1 1 8  0  12  o 144.0712 13.08013 1.474906       0.2552799     1.418539       0.4410169     1.503309       0.3130585     135.1974 26.54356 144.3913 16.22870 0.000000       0.000000 
1 1 1 8  0  13  o 461.6553 11.71293 14.80106       0.7455711     15.40422       1.065081      14.22150       1.044028      469.6626 16.46915 451.0935 16.81432 0.000000       0.000000 
1 1 1 8  0  14  o 283.2408 11.26048 5.585724       0.4388221     5.250738       0.6182910     5.925735       0.6229111     273.2068 16.52796 290.6823 15.62230 0.000000       0.000000 
1 1 1 8  0  15  o 231.6612 12.98611 3.758777       0.4124187     3.868690       0.7218950     3.705522       0.5024955     231.5563 23.10542 229.1247 16.06399 0.000000       0.000000 
1 1 1 8  0  16  o 234.9871 15.99511 3.895032       0.5134817     3.703153       0.7303184     4.082615       0.7220970     225.9197 24.10194 238.2956 22.40015 0.000000       0.000000 
1 1 1 8  0  17  o 243.3225 13.00397 4.144575       0.4340634     4.259213       0.5349876     3.923728       0.7425501     245.8666 15.91101 232.8927 23.64944 0.000000       0.000000 
1 1 1 8  0  18  o 87.47508 12.17452 0.5605007      0.1389087     0.6849821      0.1987758     0.4416878      0.1941973     95.19862 16.64400 70.82410 22.54889 0.000000       0.000000 
1 1 1 8  0  19  o 144.9772 11.34096 1.483793       0.2238367     1.466431       0.3185939     1.500718       0.3145508     142.1994 16.84830 144.1154 16.34979 0.000000       0.000000 
1 1 1 8  0  20  o 290.1147 11.29824 5.863015       0.4510453     6.304138       0.6448215     5.440404       0.6311471     299.6910 15.68018 277.9388 16.58047 0.000000       0.000000 
1 1 1 8  0  21  o 534.5273 11.96440 19.85612       0.8820790     19.57553       1.245799      20.13820       1.249104      528.9296 17.09785 536.5832 16.89661 0.000000       0.000000 
1 1 1 8  0  22  o 133.5090 11.43327 1.263176       0.2072188     1.458595       0.2952996     1.073596       0.2908541     142.3002 15.49452 119.7675 19.02501 0.000000       0.000000 
1 1 1 8  0  23  o 414.0389 11.56747 11.92266       0.6601613     11.58332       0.9306259     12.26639       0.9366210     406.4920 16.64344 418.5028 16.26371 0.000000       0.000000 
1 1 1 8  0  24  o 291.5246 13.03339 5.940990       0.5222642     6.104716       0.9071661     5.859822       0.6387348     291.8799 22.82964 288.5565 16.14627 0.000000       0.000000 
1 1 1 8  0  25  o 100.2965 14.02275 0.7389741      0.1833337     0.5740700      0.3171622     0.8217238      0.2246721     76.37521 30.81717 104.7894 16.82876 0.000000       0.000000 
1 1 1 8  0  26  o 107.4384 13.88212 0.8417336      0.1964786     0.9225430      0.2415123     0.6835762      0.3378725     111.4267 16.83273 85.07320 31.16101 0.000000       0.000000 
1 1 1 8  0  27  o 115.2831 11.58296 0.9499782      0.1801153     0.9063817      0.2553793     0.9931284      0.2540687     109.5941 18.44527 115.7889 16.95452 0.000000       0.000000 
1 1 1 8  0  28  o 77.79334 12.92171 0.4534082      0.1272881     0.4847806      0.1813013     0.4229122      0.1787509     76.77144 19.78791 69.82783 21.23389 0.000000       0.000000 
1 1 1 8  0  29  o 137.9448 11.42488 1.347837       0.2141837     1.281042       0.3035313     1.414081       0.3022755     132.0867 17.49866 139.6172 16.25442 0.000000       0.000000 
1 1 1 8  0  30  o 247.7223 11.27659 4.286811       0.3839078     4.515648       0.5458105     4.062746       0.5400898     252.9180 15.76924 239.4809 16.51295 0.000000       0.000000 
1 1 1 8  0  31  o 423.1333 11.65529 12.46543       0.6798178     11.54440       0.9503360     13.43068       0.9728752     405.1992 17.05389 437.5998 16.15052 0.000000       0.000000 
1 1 1 8  0  32  o 379.2024 11.51260 10.01514       0.6015553     10.23030       0.8542365     9.803472       0.8472618     381.6172 16.27846 373.4379 16.50426 0.000000       0.000000 
1 1 1 8  0  33  o 180.2901 11.33029 2.283568       0.2795126     2.468124       0.3973926     2.102866       0.3932214     186.1015 15.72254 170.9521 17.04692 0.000000       0.000000 
1 1 1 8  0  34  o 294.1897 11.34681 6.036679       0.4593773     6.025552       0.6503947     6.047756       0.6489230     292.3692 16.22467 292.9379 16.15509 0.000000       0.000000 
1 1 1 8  0  35  o 261.5185 13.11190 4.793420       0.4707692     5.184785       0.8223891     4.602667       0.5741466     268.3049 22.56505 255.1080 16.45603 0.000000       0.000000 
1 1 1 8  0  36  o 262.9247 16.18213 4.881123       0.5823972     4.459934       0.8207156     5.308356       0.8265836     247.4732 24.57332 271.6791 22.38353 0.000000       0.000000 
1 1 1 8  0  37  f 95.61820 14.66015 0.6793055      0.1800390     0.6244380      0.2210729     0.7873590      0.3102398     87.93983 20.98181 96.19421 26.98570 0.000000       0.000000 
1 1 1 8  0  38  o 210.5384 11.32809 3.103516       0.3271476     3.239567       0.4647968     2.969943       0.4605456     213.7187 15.95448 204.2534 16.58058 0.000000       0.000000 
1 1 1 8  0  39  o 394.0716 11.60885 10.81066       0.6304472     10.26685       0.8863430     11.36753       0.8969252     382.2332 16.86804 402.5778 16.19452 0.000000       0.000000 
1 1 1 8  0  40  o 239.6257 11.36114 4.012295       0.3739925     4.341550       0.5328048     3.692505       0.5250900     248.0372 15.70078 228.0913 16.88466 0.000000       0.000000 
1 1 1 8  0  41  o 262.8727 11.36640 4.822683       0.4108235     4.893968       0.5827237     4.752238       0.5792760     263.3877 16.16188 259.4493 16.31739 0.000000       0.000000 
1 1 1 8  0  42  o 243.9317 11.38182 4.156094       0.3814684     4.078369       0.5400593     4.233484       0.5388983     240.0975 16.46766 244.8090 16.10176 0.000000       0.000000 
1 1 1 8  0  43  o 357.4438 11.54027 8.894926       0.5682445     8.877840       0.8045947     8.911930       0.8026469     355.5737 16.46784 356.2866 16.39405 0.000000       0.000000 
1 1 1 8  0  44  o 231.2507 11.39057 3.737356       0.3617069     3.667144       0.5118142     3.807413       0.5112478     227.5285 16.48969 232.0261 16.13644 0.000000       0.000000 
1 1 1 8  0  45  o 285.6799 13.22210 5.708454       0.5190315     5.357451       0.8951166     5.886249       0.6370636     272.4479 24.23452 289.2463 16.06388 0.000000       0.000000 
1 1 1 8  0  46  o 273.6901 13.25427 5.242539       0.4982237     5.151698       0.6100236     5.424534       0.8634399     270.2845 16.48559 274.7159 23.13971 0.000000       0.000000 
1 1 1 8  0  47  f 103.5004 14.82886 0.7893395      0.1993127     0.9947937      0.2461571     0.3982206      0.3396325     116.2635 16.24020 61.53136 31.52242 0.000000       0.000000 
1 1 1 8  0  48  o 74.46634 14.18877 0.4243841      0.1305134     0.4457175      0.1864339     0.4038813      0.1827683     71.89488 21.55474 67.24813 22.16463 0.000000       0.000000 
1 1 1 8  0  49  f 240.5956 11.45168 4.043628       0.3784832     4.107050       0.5371878     3.981109       0.5333449     241.0587 16.30997 237.2312 16.46375 0.000000       0.000000 
1 1 1 8  0  50  o 256.1659 11.48658 4.580872       0.4044433     4.350951       0.5713051     4.811865       0.5726357     248.0011 16.86204 261.2666 16.01066 0.000000       0.000000 
1 1 1 8  0  51  o 431.5527 11.80375 12.95724       0.7021931     12.91613       0.9941682     12.99817       0.9919376     429.1708 16.83496 430.5745 16.74140 0.000000       0.000000 
1 1 1 8  0  52  o 307.4084 11.53866 6.586588       0.4882230     6.625614       0.6922215     6.547958       0.6886951     306.8350 16.44607 305.0110 16.46166 0.000000       0.000000 
1 1 1 8  0  53  o 353.3454 11.65264 8.696149       0.5671399     9.015786       0.8071894     8.384514       0.7970211     358.2889 16.39381 345.2852 16.80763 0.000000       0.000000 
1 1 1 8  0  54  o 336.2928 11.60634 7.880823       0.5374975     7.839170       0.7610621     7.922274       0.7592138     333.7881 16.60620 335.6153 16.47316 0.000000       0.000000 
1 1 1 8  0  55  o 249.5737 13.36099 4.371060       0.4574279     4.458205       0.7962963     4.328140       0.5588315     247.8091 23.77381 247.2680 16.53697 0.000000       0.000000 
1 1 1 8  0  56  o 300.2742 16.53086 6.358844       0.6806629     6.130791       0.9623477     6.587139       0.9628578     291.2000 24.32376 302.5539 23.36796 0.000000       0.000000 
1 1 1 8  0  57  o 231.1398 13.43802 3.757159       0.4255746     3.845281       0.5229364     3.584334       0.7323336     232.8141 16.45563 220.7934 24.82789 0.000000       0.000000 
1 1 1 8  0  58  o 312.2003 11.65747 6.802608       0.5009554     7.019422       0.7122036     6.590296       0.7047707     315.4987 16.45026 305.4739 16.82511 0.000000       0.000000 
1 1 1 8  0  59  o 119.3807 12.37761 1.022779       0.1990140     1.226203       0.2841696     0.8269652      0.2788036     129.3202 16.67652 101.7049 22.73131 0.000000       0.000000 
1 1 1 8  0  60  o 117.1300 12.50791 0.9868068      0.1964840     0.9773042      0.2798755     0.9960417      0.2759077     113.2571 19.67575 114.7915 18.96244 0.000000       0.000000 
1 1 1 8  0  61  o 146.5728 12.04585 1.524950       0.2400089     1.338472       0.3401360     1.709874       0.3387162     133.8668 19.63890 153.7010 16.43329 0.000000       0.000000 
1 1 1 8  0  62  o 141.5831 12.14259 1.425874       0.2333721     1.375801       0.3317205     1.474944       0.3283807     136.2912 18.60938 141.8879 17.47148 0.000000       0.000000 
1 1 1 8  0  63  o 130.7106 12.33595 1.221171       0.2180926     1.225585       0.3107640     1.216888       0.3061469     128.1668 18.72879 127.8182 18.46668 0.000000       0.000000 
1 1 1 8  0  64  o 142.0940 12.22570 1.437092       0.2357911     1.246191       0.3351375     1.624216       0.3318052     128.3751 20.46456 149.5180 16.59393 0.000000       0.000000 
1 1 1 8  0  65  o 197.7011 13.73353 2.768524       0.3707571     2.771556       0.6457576     2.767033       0.4528303     191.9600 25.64524 196.3303 16.99665 0.000000       0.000000 
1 1 1 8  0  66  o 344.6375 13.74446 8.336815       0.6517123     8.451369       0.8021455     8.114352       1.117832      345.5701 16.90265 334.0403 24.53919 0.000000       0.000000 
1 1 1 8  0  67  o 169.6530 14.12116 2.052788       0.3255305     2.191757       0.4015282     1.786268       0.5560613     174.1763 17.07154 149.0877 30.56152 0.000000       0.000000 
1 1 1 8  0  68  o 143.2404 12.43301 1.462097       0.2416501     1.336125       0.3435833     1.585408       0.3399357     133.3895 19.97404 147.2429 17.35192 0.000000       0.000000 
1 1 1 8  0  69  o 163.4781 12.28345 1.894133       0.2736805     1.772472       0.3895617     2.012697       0.3845719     155.2116 18.92852 166.6402 17.12776 0.000000       0.000000 
1 1 1 8  0  70  o 381.9490 12.02381 10.19945       0.6327175     10.05400       0.8955243     10.34442       0.8940729     376.6954 17.29976 382.2883 17.01400 0.000000       0.000000 
1 1 1 8  0  71  o 303.8573 11.91905 6.465245       0.4983434     6.136575       0.7044604     6.794481       0.7050680     293.5808 17.52053 309.5295 16.60566 0.000000       0.000000 
1 1 1 8  0  72  o 262.1968 11.95464 4.822342       0.4307658     4.635297       0.6106264     5.007644       0.6077734     254.6904 17.55450 265.2450 16.74725 0.000000       0.000000 
1 1 1 8  0  73  o 172.4012 12.35522 2.104872       0.2906521     1.975597       0.4131504     2.231543       0.4089698     164.1233 18.87893 175.5715 17.25168 0.000000       0.000000 
1 1 1 8  0  74  o 92.36228 15.39999 0.6442204      0.1799887     0.7086458      0.2593254     0.5843381      0.2500148     92.31242 23.53223 80.92967 25.46913 0.000000       0.000000 
1 1 1 8  0  75  o 69.42988 21.42210 0.4236733      0.1797100     0.2098926      0.3186962     0.5233418      0.2176063     48.21019 28.32013 77.28815 23.37357 0.000000       0.000000 
1 1 1 8  0  76  o 66.93640 25.75992 0.4347835      0.2254840     0.2121175      0.3221145     0.6487316      0.3157458     48.42273 28.45903 82.18526 30.13040 0.000000       0.000000 
1 1 1 8  0  77  o 160.4161 14.80327 1.849760       0.3214826     1.772139       0.3957661     2.000326       0.5512074     154.7594 19.33645 160.1318 27.31515 0.000000       0.000000 
1 1 1 8  0  78  o 95.47110 15.69275 0.6883507      0.1900762     0.4666829      0.2731613     0.8964313      0.2646571     67.38113 28.78613 107.6580 19.77105 0.000000       0.000000 
1 1 1 8  0  79  f 145.3672 13.20950 1.514801       0.2601149     1.576797       0.3739192     1.456667       0.3620825     145.2914 19.65039 139.1617 20.05265 0.000000       0.000000 
1 1 1 8  0  80  o 139.9739 13.49939 1.410529       0.2553419     1.365597       0.3672844     1.452561       0.3552331     133.4982 21.62677 139.0778 19.62207 0.000000       0.000000 
1 1 1 8  0  81  o 131.6033 13.87116 1.255461       0.2456605     1.372776       0.3547502     1.147369       0.3405195     134.3364 20.55363 120.7791 22.78470 0.000000       0.000000 
1 1 1 8  0  82  o 139.6628 13.66006 1.409515       0.2576488     1.389642       0.3700869     1.428206       0.3589108     134.3374 21.63383 137.1285 20.25198 0.000000       0.000000 
1 1 1 8  0  83  o 68.95125 20.89252 0.4193491      0.1735763     0.2831420      0.2516980     0.5428698      0.2396900     50.84578 26.84833 76.56686 25.46257 0.000000       0.000000 
1 1 1 8  0  84  o 137.6192 16.40286 1.402829       0.3000091     1.651876       0.5287030     1.284555       0.3643485     139.1850 31.54879 127.4835 22.89402 0.000000       0.000000 
1 1 1 8  0  85  o 197.1986 18.77568 2.882380       0.5006078     3.608688       0.7227401     2.212565       0.6940629     215.9234 25.12906 157.7551 36.63208 0.000000       0.000000 
1 1 1 8  0  86  o 115.3345 18.81970 1.030813       0.2757539     1.216142       0.3437509     0.6962705      0.4618473     123.4958 22.32389 75.45354 37.13381 0.000000       0.000000 
1 1 1 8  0  87  o 132.0738 14.63355 1.288640       0.2584994     1.421888       0.3713779     1.163409       0.3600328     134.2457 21.74567 118.1686 25.09651 0.000000       0.000000 
1 1 1 8  0  88  o 24.39802 16.03254 -0.1284490E-01 0.1363810     -0.7742041E-01 0.2016641     0.4158022E-01  0.1851375     26.95334 18.25534 31.11720 19.76713 0.000000       0.000000 
1 1 1 8  0  89  o 32.04796 19.10901 0.9024919E-01  0.1489696     0.4702303E-01  0.2165985     0.1290501      0.2052121     33.24215 21.22047 37.38945 22.36026 0.000000       0.000000 
1 1 1 8  0  90  o 26.45122 16.93377 0.2013900E-01  0.1391440     -0.1291413     0.1962457     0.1710539      0.1973173     24.66325 17.04149 40.03171 22.81368 0.000000       0.000000 
1 1 1 8  0  91  o 17.58467 12.37535 -0.1244005     0.1175162     -0.2454653     0.1612870     0.1260299E-01  0.1715758     18.56622 13.31562 28.44053 18.43262 0.000000       0.000000 
1 1 1 8  0  92  o 37.81600 20.89882 0.1557594      0.1593510     -0.1556050     0.2219529     0.4869824      0.2289214     25.74996 17.87067 69.28815 25.74331 0.000000       0.000000 
1 1 1 8  0  93  o 44.35933 22.45132 0.2233166      0.1710889     0.5575247E-01  0.2370298     0.4055730      0.2472031     34.51676 22.09894 59.42606 27.39933 0.000000       0.000000 
1 1 1 8  0  94  o 61.15758 25.96631 0.4074255      0.2224932     0.3758901      0.3881843     0.4228539      0.2715184     54.59639 31.61785 59.71526 28.60581 0.000000       0.000000 
1 1 1 8  0  95  o 24.37604 17.05048 -0.1804097     0.2131351     -0.4706407     0.2838551     0.1947047      0.3227057     23.51440 16.98228 44.47293 27.28912 0.000000       0.000000 
1 1 1 8  0  96  o 171.5139 16.87894 2.215598       0.3908592     2.490589       0.4731318     1.624588       0.6936180     179.5797 19.68219 113.1547 45.55910 0.000000       0.000000 
1 1 1 8  0  97  o 166.7927 14.85675 2.059672       0.3359237     2.131078       0.4697136     1.984914       0.4806095     163.7513 21.86596 155.8981 24.02321 0.000000       0.000000 
1 1 1 8  0  98  o 290.9413 13.08108 6.112180       0.5230989     5.865820       0.7351248     6.364871       0.7445117     277.8199 19.37940 290.3657 18.74825 0.000000       0.000000 
1 1 1 8  0  99  o 148.4107 15.19738 1.650373       0.3039550     1.973081       0.4297675     1.327397       0.4299470     157.9150 20.69389 120.0332 29.98385 0.000000       0.000000 
1 1 1 8  0  100 o 196.4535 13.52341 2.828456       0.3628546     2.592272       0.5133033     3.064365       0.5130045     180.3817 21.40213 199.1284 19.05836 0.000000       0.000000 
1 1 1 8  0  101 o 81.52131 20.65626 0.5809646      0.2010582     0.6903655      0.2879664     0.4769072      0.2808459     81.89314 28.27043 62.45158 29.18398 0.000000       0.000000 
1 1 1 8  0  102 o 26.86206 17.08729 0.3576960E-01  0.1389155     -0.2193063E-01 0.2026006     0.8696492E-01  0.1908389     28.31485 18.90808 32.95466 20.56325 0.000000       0.000000 
1 1 1 8  0  103 o 107.9714 16.75986 0.9348857      0.2319412     0.9713538      0.3340210     0.9009280      0.3223205     98.65850 28.28120 94.15864 28.42544 0.000000       0.000000 
1 1 1 8  0  104 o 82.82574 24.87061 0.6825799      0.2478753     1.175590       0.4402815     0.4538011      0.2999235     97.15482 35.56614 55.88155 29.36186 0.000000       0.000000 
1 1 1 8  0  105 o 103.6353 29.58590 1.150214       0.3669338     1.828102       0.5394415     0.5664772      0.5005803     123.2912 36.44139 52.98854 33.17072 0.000000       0.000000 
1 1 1 8  0  106 o 59.80504 26.69249 0.4774527      0.2341108     0.1495695      0.2915088     1.073106       0.3929061     36.27029 23.69454 88.21098 34.01859 0.000000       0.000000 
1 1 1 8  0  107 o 40.54074 22.10677 0.2427608      0.1756394     -0.7963638E-01 0.2551983     0.5329175      0.2421020     26.77674 18.71417 61.27295 27.14064 0.000000       0.000000 
1 1 1 8  0  108 o 26.48553 17.26211 0.6335019E-01  0.1533810     0.2014886      0.2251034     -0.5636648E-01 0.2095570     34.64117 21.91757 24.41529 17.03999 0.000000       0.000000 
1 1 1 8  0  109 o 44.16623 24.15465 0.3817820      0.2103482     0.2251334      0.3849531     0.4484643      0.2511597     32.15542 22.58234 44.55136 25.59300 0.000000       0.000000 
1 1 1 8  0  110 o 26.91617 17.80145 0.1280057      0.1724671     -0.3015954     0.3209336     0.3024470      0.2045065     21.66384 15.91142 35.01890 21.59932 0.000000       0.000000 
1 1 1 8  0  111 o 20.78611 14.55066 0.2163944E-01  0.1561002     0.1253032E-01  0.2898947     0.2535920E-01  0.1852506     22.74672 16.52398 21.54132 15.23441 0.000000       0.000000 
1 1 1 8  0  112 o 19.83776 14.04427 0.5700891E-01  0.1587942     -0.3982821E-01 0.2966123     0.9591392E-01  0.1880057     19.65740 14.51131 20.90771 14.88866 0.000000       0.000000 
1 1 1 8  0  113 o 13.14813 9.702128 -0.1646752     0.1314011     0.000000       0.000000      -0.1646752     0.1314011     13.14813 9.702128 13.14813 9.702128 0.000000       0.000000 
1 1 1 8  0  114 o 14.08313 10.52624 -0.9407560E-01 0.2331130     0.000000       0.000000      -0.9407560E-01 0.2331130     14.08313 10.52624 14.08313 10.52624 0.000000       0.000000 
1 1 1 8  0  115 o 11.24644 8.402134 -0.2441604     0.1874266     0.000000       0.000000      -0.2441604     0.1874266     11.24644 8.402134 11.24644 8.402134 0.000000       0.000000 
1 1 1 8  0  116 o 11.55476 8.658707 0.4058732      0.3591073     0.000000       0.000000      0.4058732      0.3591073     11.55476 8.658707 11.55476 8.658707 0.000000       0.000000 
1 1 1 8  0  117 o 9.931597 7.438366 0.1171617      0.2144858     0.4026831      0.3037081     -0.1669376     0.3029508     10.16637 7.619037 9.538830 7.149442 0.000000       0.000000 
1 1 1 8  0  118 o 8.495412 6.365891 0.2060871      0.3258016     0.2060871      0.3258016     0.000000       0.000000      8.495412 6.365891 8.495412 6.365891 0.000000       0.000000 
1 1 1 8  0  119 o 6.970169 5.221010 -0.8889201E-02 0.2645710     -0.8889201E-02 0.2645710     0.000000       0.000000      6.970169 5.221010 6.970169 5.221010 0.000000       0.000000 
1 1 1 8  0  120 o 5.714161 4.278128 -0.1474410     0.2156074     -0.1474410     0.2156074     0.000000       0.000000      5.714161 4.278128 5.714161 4.278128 0.000000       0.000000 
1 1 1 8  0  121 o ?        ?        0.2152311E-03  0.2618763     0.2152311E-03  0.2618763     0.000000       0.000000      ?        ?        ?        ?        0.000000       0.000000 
1 1 1 8  0  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  0  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  0  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  0  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  1  0   o 194.8150 23.45344 2.766488       0.6066877     2.766488       0.6066877     0.000000       0.000000      194.8150 23.45344 194.8150 23.45344 0.000000       0.000000 
1 1 1 8  1  1   o 244.8765 22.94504 4.286129       0.7667967     4.286129       0.7667967     0.000000       0.000000      244.8765 22.94504 ?        ?        0.000000       22.94504 
1 1 1 8  1  2   o 473.4243 13.65880 15.62340       0.8928964     15.57443       1.086320      15.72540       1.567679      471.5757 16.68278 469.5936 24.25955 1.982147       29.44217 
1 1 1 8  1  3   o 190.6043 11.22558 2.533267       0.2941426     2.265657       0.4157421     2.801491       0.4162192     179.0386 17.02144 199.6829 15.20974 -20.64427      22.82686 
1 1 1 8  1  4   o 159.8555 11.20842 1.784414       0.2458411     1.762605       0.3480800     1.806121       0.3472652     157.9061 16.19310 159.9187 15.93856 -2.012558      22.72122 
1 1 1 8  1  5   o 208.0963 11.20354 3.018272       0.3207412     2.856446       0.4537429     3.179890       0.4534503     201.3135 16.46709 212.7012 15.54680 -11.38771      22.64659 
1 1 1 8  1  6   o 271.9733 11.24237 5.141804       0.4222037     5.049477       0.5983009     5.233386       0.5958789     268.0650 16.24035 273.0244 15.87440 -4.959381      22.71003 
1 1 1 8  1  7   o 207.4622 11.19688 3.000427       0.3195675     3.129473       0.4551685     2.874982       0.4487729     210.9183 15.74203 201.9933 16.22679 8.924988       22.60796 
1 1 1 8  1  8   o 244.3247 11.21020 4.150029       0.3781975     4.588775       0.5417140     3.732829       0.5282444     255.6851 15.41567 230.1664 16.73546 25.51869       22.75343 
1 1 1 8  1  9   o 151.4248 11.26185 1.603000       0.2337904     1.910107       0.3354238     1.312845       0.3260350     164.6530 14.91510 135.5816 17.84893 29.07141       23.26036 
1 1 1 8  1  10  o 215.9895 11.23225 3.252737       0.3338386     3.690737       0.4786186     2.837747       0.4658773     229.2088 15.20875 200.4009 16.99600 28.80798       22.80724 
1 1 1 8  1  11  o 339.1556 10.17339 7.989348       0.4764339     8.212304       0.7596646     7.844793       0.6116850     342.3279 16.07095 335.3864 13.20822 6.941467       20.80223 
1 1 1 8  1  12  o 305.1292 11.48576 6.478374       0.4839289     8.397749       0.7051476     4.769575       0.6653433     346.5324 14.73663 259.5264 18.69149 87.00595       23.80210 
1 1 1 8  1  13  o 368.2043 10.22780 9.419707       0.5200067     9.383236       0.6716360     9.474287       0.8216340     366.7020 13.26425 367.5260 16.19020 -0.8240051     20.92996 
1 1 1 8  1  14  o 281.9426 10.09574 5.523084       0.3930403     6.771832       0.6327199     4.738440       0.5015452     311.0859 14.72968 260.0234 14.02064 51.06250       20.33573 
1 1 1 8  1  15  o 172.1779 9.985854 2.066572       0.2363912     2.685603       0.3768504     1.664972       0.3035354     195.5112 14.05291 153.6123 14.48109 41.89890       20.17886 
1 1 1 8  1  16  o 198.6762 9.077196 2.739988       0.2490208     2.802745       0.3054458     2.615597       0.4300275     200.3753 11.08263 192.2976 16.35026 8.077698       19.75236 
1 1 1 8  1  17  o 193.5353 8.486825 2.598577       0.2268002     2.916814       0.3007300     2.178848       0.3453716     204.4815 10.68798 175.8691 14.34695 28.61238       17.89044 
1 1 1 8  1  18  o 202.1786 7.937109 2.834391       0.2215825     3.000298       0.3134130     2.668586       0.3133169     207.3180 10.98739 195.3478 11.66882 11.97023       16.02761 
1 1 1 8  1  19  o 292.3046 7.980536 5.925436       0.3221111     5.731599       0.4536298     6.122563       0.4574621     286.8067 11.45445 296.4928 11.17385 -9.686066      16.00186 
1 1 1 8  1  20  o 437.0749 8.309923 13.25434       0.5015230     14.01821       0.7146133     12.51293       0.7040265     448.4719 11.53979 423.5335 12.03825 24.93839       16.67591 
1 1 1 8  1  21  o 501.8664 8.972672 17.49220       0.6217958     17.30608       0.8205227     17.74326       0.9529706     498.0662 11.93069 503.4851 13.70739 -5.418915      18.17234 
1 1 1 8  1  22  o 337.6608 8.631606 7.916028       0.4024484     8.304568       0.5351505     7.410248       0.6105746     345.1802 11.22773 325.3513 13.59090 19.82895       17.62880 
1 1 1 8  1  23  o 275.0864 9.183146 5.258921       0.3488177     5.507220       0.4953519     5.014688       0.4912788     280.6462 12.78252 267.6656 13.29222 12.98059       18.44115 
1 1 1 8  1  24  o 377.3882 9.408224 9.902593       0.4902685     9.510152       0.8455093     10.10138       0.6017607     367.0788 16.68097 380.5132 11.45292 -13.43442      20.23423 
1 1 1 8  1  25  o 240.5255 9.165110 4.021698       0.3043944     3.909792       0.4301282     4.133970       0.4308302     235.9202 13.25741 242.7184 12.90113 -6.798187      18.49859 
1 1 1 8  1  26  o 118.0278 8.573184 0.9727046      0.1387680     1.038526       0.1838109     0.8854716      0.2116066     121.5362 11.07441 111.4945 14.05724 10.04173       17.89549 
1 1 1 8  1  27  o 105.5983 8.056009 0.7785757      0.1165804     0.7280005      0.1647384     0.8293121      0.1650012     101.3835 12.00051 108.4651 11.17699 -7.081627      16.39931 
1 1 1 8  1  28  o 123.9681 8.017542 1.071334       0.1365077     1.090518       0.1928705     1.052078       0.1932320     124.4863 11.34492 122.2034 11.59000 2.282913       16.21836 
1 1 1 8  1  29  o 200.2510 7.923766 2.783999       0.2191009     2.670975       0.3089263     2.898393       0.3107931     195.2173 11.51130 203.4891 11.10291 -8.271713      15.99327 
1 1 1 8  1  30  o 359.4164 8.117351 8.972008       0.4028564     8.684468       0.5662315     9.266756       0.5732839     352.5094 11.63283 364.2233 11.39893 -11.71387      16.28675 
1 1 1 8  1  31  o 338.6266 8.085019 7.964153       0.3780420     7.668340       0.5314013     8.267270       0.5379227     331.2313 11.61859 344.0286 11.32367 -12.79733      16.22397 
1 1 1 8  1  32  o 406.5078 8.243751 11.47987       0.4627344     11.43100       0.6520747     11.52945       0.6567610     404.3863 11.67785 406.1094 11.71187 -1.723114      16.53905 
1 1 1 8  1  33  o 406.6540 8.222938 11.48738       0.4617320     11.17314       0.6489125     11.80965       0.6571405     399.7800 11.75512 411.0864 11.57676 -11.30637      16.49862 
1 1 1 8  1  34  o 245.1704 8.523115 4.177122       0.2885389     4.019098       0.3801830     4.391797       0.4431207     239.8544 11.47908 250.0345 12.87839 -10.18016      17.25173 
1 1 1 8  1  35  o 148.0440 9.256491 1.530490       0.1882735     1.505911       0.3246110     1.542949       0.2311186     145.0821 16.49694 148.2233 11.37910 -3.141190      20.04078 
1 1 1 8  1  36  o 161.7898 10.13103 1.830371       0.2251892     1.763224       0.3548480     1.875646       0.2913809     157.1142 16.60820 163.1167 13.04589 -6.002548      21.11937 
1 1 1 8  1  37  o 259.6369 8.532703 4.683385       0.3059081     4.743292       0.4051923     4.603979       0.4664947     260.6906 11.25636 255.9771 13.24331 4.713547       17.38076 
1 1 1 8  1  38  o 282.6365 8.013077 5.545451       0.3127271     5.469446       0.4418014     5.621775       0.4427258     279.9050 11.43085 283.8124 11.29706 -3.907440      16.07134 
1 1 1 8  1  39  o 244.9379 7.979427 4.164343       0.2698769     4.046434       0.3811612     4.282878       0.3821679     240.7617 11.46524 247.7650 11.17059 -7.003235      16.00731 
1 1 1 8  1  40  o 443.9692 8.299311 13.68604       0.5087833     13.79670       0.7208020     13.57617       0.7182614     444.5019 11.74369 440.9122 11.79756 3.589630       16.64622 
1 1 1 8  1  41  o 323.8421 8.089764 7.278973       0.3617488     7.191923       0.5110347     7.366401       0.5121471     321.0288 11.52839 324.9335 11.41464 -3.904755      16.22337 
1 1 1 8  1  42  o 431.6120 8.270134 12.93146       0.4928832     13.04238       0.6984640     12.82144       0.6956288     432.2909 11.70119 428.5928 11.75424 3.698059       16.58554 
1 1 1 8  1  43  o 315.8336 8.642022 6.927209       0.3768874     7.078444       0.5000402     6.728293       0.5734726     318.5869 11.36682 310.0034 13.39702 8.583527       17.56943 
1 1 1 8  1  44  o 433.6305 9.596710 13.07474       0.5746192     13.26667       0.8156468     12.88562       0.8096550     435.2639 13.57099 428.9232 13.67044 6.340698       19.26273 
1 1 1 8  1  45  o 377.4713 9.468554 9.905192       0.4935209     9.925095       0.8561670     9.895289       0.6039568     375.2288 16.52435 376.6322 11.61316 -1.403351      20.19702 
1 1 1 8  1  46  o 210.7763 8.589348 3.084605       0.2499884     2.985801       0.3297123     3.218212       0.3834061     206.5786 11.60580 214.1314 13.02899 -7.552795      17.44847 
1 1 1 8  1  47  o 122.8968 8.845026 1.054351       0.1490953     1.015089       0.1966376     1.107449       0.2286755     120.0104 12.02805 125.0960 13.44975 -5.085571      18.04355 
1 1 1 8  1  48  o 115.1309 8.315869 0.9247205      0.1313124     0.8657942      0.1855814     0.9838024      0.1858263     110.6735 12.35457 118.2246 11.52987 -7.551109      16.89891 
1 1 1 8  1  49  o 196.5135 8.054261 2.679539       0.2185526     2.544091       0.3083380     2.816298       0.3098276     190.5921 11.77378 200.6916 11.22528 -10.09946      16.26742 
1 1 1 8  1  50  o 376.3739 8.230876 9.832120       0.4277633     9.792402       0.6044093     9.871977       0.6054894     374.6097 11.68461 376.1378 11.65793 -1.528107      16.50568 
1 1 1 8  1  51  o 373.4924 8.235877 9.682857       0.4247463     9.609934       0.5996041     9.756304       0.6017658     371.0724 11.70221 373.9037 11.65547 -2.831299      16.51641 
1 1 1 8  1  52  o 415.5591 8.309590 11.98980       0.4768155     11.99730       0.6740103     11.98228       0.6746281     414.5210 11.77557 414.2541 11.79396 0.2669373      16.66618 
1 1 1 8  1  53  o 341.4713 8.192636 8.095823       0.3862921     7.914845       0.5445268     8.279178       0.5480899     336.6477 11.71401 344.3713 11.52622 -7.723572      16.43386 
1 1 1 8  1  54  o 359.0983 8.804440 8.963572       0.4365691     8.594639       0.5743213     9.468524       0.6719031     350.6658 11.86106 367.5103 13.24034 -16.84451      17.77615 
1 1 1 8  1  55  o 380.5313 10.47732 10.09678       0.5505269     9.981412       0.8687882     10.17419       0.7116412     375.4846 16.75652 380.7360 13.53627 -5.251465      21.54093 
1 1 1 8  1  56  o 409.6138 10.56186 11.70523       0.5973829     12.00521       0.9481127     11.50774       0.7692944     411.6558 16.67968 404.6808 13.76708 6.974976       21.62740 
1 1 1 8  1  57  o 153.1981 8.842599 1.637997       0.1862607     1.583305       0.2462474     1.711131       0.2847529     149.9309 11.99482 155.5355 13.38919 -5.604538      17.97627 
1 1 1 8  1  58  o 118.1455 8.512815 0.9756985      0.1379458     0.9428087      0.1946467     1.008886       0.1955259     115.3241 12.41917 119.4356 12.01909 -4.111549      17.28277 
1 1 1 8  1  59  o 167.0867 8.231440 1.941329       0.1899135     1.918657       0.2681699     1.964141       0.2689883     165.0752 11.84367 167.0598 11.73512 -1.984665      16.67290 
1 1 1 8  1  60  o 180.3568 8.231917 2.262703       0.2050083     2.169227       0.2890876     2.357270       0.2907707     175.4665 12.00365 183.0765 11.56157 -7.609985      16.66606 
1 1 1 8  1  61  o 168.1892 8.284199 1.968483       0.1923918     1.864906       0.2713542     2.073181       0.2728179     162.5330 12.17941 171.5901 11.58223 -9.057068      16.80732 
1 1 1 8  1  62  o 155.6788 8.428045 1.692184       0.1804986     1.565017       0.2546161     1.820652       0.2559160     148.6849 12.51816 160.7112 11.61036 -12.02632      17.07351 
1 1 1 8  1  63  o 356.5619 8.331792 8.851819       0.4102148     8.821168       0.5795674     8.882589       0.5806969     354.4323 11.84221 355.6734 11.82389 -1.241028      16.73446 
1 1 1 8  1  64  o 373.7534 8.944247 9.740147       0.4616012     9.474636       0.6084731     10.10012       0.7084872     367.1835 12.00108 378.1886 13.56706 -11.00507      18.11328 
1 1 1 8  1  65  o 203.5319 10.52226 2.907233       0.2947081     2.819563       0.4645694     2.966273       0.3812372     197.7887 17.18095 204.5026 13.57795 -6.713898      21.89854 
1 1 1 8  1  66  o 142.9361 9.909841 1.434735       0.1943823     1.372395       0.2725836     1.499239       0.2772725     138.4666 14.47039 144.9325 14.03051 -6.465897      20.15559 
1 1 1 8  1  67  o 159.4033 9.134340 1.778803       0.2002160     1.686503       0.2639374     1.903902       0.3072743     154.2698 12.49771 163.5475 13.73359 -9.277679      18.56890 
1 1 1 8  1  68  o 224.0072 8.330444 3.495874       0.2576726     3.210491       0.3629407     3.785905       0.3658852     213.1758 12.38327 232.2010 11.41150 -19.02521      16.83947 
1 1 1 8  1  69  o 116.7715 8.967135 0.9568976      0.1434827     0.8293733      0.2032719     1.083531       0.2025605     107.3635 14.04840 123.5414 12.02668 -16.17783      18.49321 
1 1 1 8  1  70  o 185.0449 8.447609 2.386892       0.2158485     2.185671       0.3046366     2.589758       0.3058788     175.6110 12.64765 191.6030 11.61623 -15.99202      17.17265 
1 1 1 8  1  71  o 195.3355 8.458208 2.660158       0.2281380     2.576346       0.3222632     2.744359       0.3230098     190.8356 12.29506 197.1224 11.92312 -6.286804      17.12686 
1 1 1 8  1  72  o 136.0427 8.877851 1.297054       0.1658569     1.322216       0.2350489     1.272102       0.2340683     136.3442 12.62824 133.6474 12.84175 2.696777       18.01064 
1 1 1 8  1  73  o 145.4176 8.827560 1.481156       0.1764151     1.427767       0.2492155     1.534780       0.2497626     141.6224 12.88491 147.0253 12.41881 -5.402817      17.89547 
1 1 1 8  1  74  f 161.6674 9.370027 1.832828       0.2082738     1.634271       0.2750348     2.099763       0.3188959     151.4324 13.28748 171.6756 13.56293 -20.24321      18.98711 
1 1 1 8  1  75  o 227.7458 10.83426 3.641547       0.3407121     3.238447       0.5379605     3.911537       0.4402685     210.6440 18.68949 234.5307 13.65410 -23.88667      23.14587 
1 1 1 8  1  76  o 121.6767 11.82192 1.052351       0.1961173     0.9151947      0.3144499     1.139667       0.2508931     109.8704 21.49669 125.7129 14.73281 -15.84253      26.06076 
1 1 1 8  1  77  o 114.4465 10.13387 0.9252540      0.1584900     0.7793900      0.2106786     1.115428       0.2405594     103.4652 15.19955 124.4619 14.25444 -20.99676      20.83783 
1 1 1 8  1  78  o 91.96925 10.44892 0.6012761      0.1303388     0.5331107      0.1846814     0.6689207      0.1839745     84.80870 16.36333 95.93672 14.32684 -11.12802      21.74895 
1 1 1 8  1  79  o 131.3852 9.355930 1.214986       0.1686261     1.182187       0.2387859     1.247614       0.2381621     128.2067 13.70051 131.9064 13.25520 -3.699722      19.06316 
1 1 1 8  1  80  o 38.66801 13.66303 0.9462705E-01  0.9100690E-01 0.1746084      0.1302731     0.1838807E-01  0.1271888     49.84861 16.37117 35.85012 15.09152 13.99849       22.26587 
1 1 1 8  1  81  o 77.73207 11.65711 0.4366343      0.1212627     0.4303386      0.1727034     0.4427563      0.1703044     75.53998 16.97128 76.76948 16.55276 -1.229500      23.70692 
1 1 1 8  1  82  o 85.62242 11.17271 0.5275054      0.1289457     0.5155748      0.1838889     0.5390465      0.1808622     82.73254 16.67290 84.88781 16.01722 -2.155266      23.12006 
1 1 1 8  1  83  o 58.97660 13.79126 0.2601449      0.1103044     0.2905305      0.1583846     0.2315269      0.1537086     61.75883 17.67594 55.91096 17.73463 5.847870       25.03909 
1 1 1 8  1  84  o 87.74537 13.38188 0.5667420      0.1570044     0.7778486      0.2271526     0.3736342      0.2172535     101.4684 16.80029 68.99747 20.95705 32.47095       26.85978 
1 1 1 8  1  85  o 91.58809 16.54841 0.6391054      0.2015803     0.5396236      0.2852875     0.7382951      0.2848682     80.70502 23.90426 95.44873 22.05682 -14.74371      32.52563 
1 1 1 8  1  86  o 120.5587 11.96939 1.057564       0.1966209     0.7476842      0.2762856     1.375552       0.2798770     95.91824 21.40345 135.6313 15.20586 -39.71306      26.25502 
1 1 1 8  1  87  o 115.6668 10.43599 0.9653634      0.1648836     0.7689919      0.2349855     1.155815       0.2314168     99.15743 17.81733 124.8223 13.64899 -25.66488      22.44442 
1 1 1 8  1  88  o 74.11649 13.26175 0.4140521      0.1307401     0.2503176      0.1871908     0.5699915      0.1826805     57.00755 19.63093 85.78439 16.01108 -28.77684      25.33235 
1 1 1 8  1  89  o 72.34624 13.41756 0.3970884      0.1291025     0.2353505      0.1842309     0.5531510      0.1809698     55.46687 19.45371 84.18125 16.15624 -28.71438      25.28776 
1 1 1 8  1  90  o 110.9169 10.78110 0.8976427      0.1630333     0.7820406      0.2313061     1.011773       0.2298288     99.30328 17.50869 115.2314 14.78531 -15.92817      22.91636 
1 1 1 8  1  91  o 53.99744 15.13254 0.2284626      0.1173558     0.1187830      0.1679298     0.3331578      0.1640697     45.43993 18.00330 64.01213 17.87620 -18.57220      25.37080 
1 1 1 8  1  92  o 68.21523 13.81492 0.3585427      0.1256655     0.3323886      0.1797375     0.3835534      0.1757647     63.42683 19.01657 68.33391 18.27331 -4.907082      26.37317 
1 1 1 8  1  93  o 80.81141 13.00448 0.4947801      0.1401894     0.4598164      0.1998869     0.5286268      0.1966678     74.16390 19.32422 80.44904 18.13741 -6.285133      26.50267 
1 1 1 8  1  94  o 124.8106 12.73048 1.164689       0.2163273     1.239766       0.3050793     1.088766       0.3067940     123.9975 18.37420 114.4964 20.14049 9.501114       27.26262 
1 1 1 8  1  95  o 115.1733 16.89126 1.048372       0.2606457     0.7087917      0.3724904     1.374157       0.3648461     84.89728 27.67317 127.4681 21.49313 -42.57082      35.03939 
1 1 1 8  1  96  o 223.8443 10.86110 3.645314       0.3357051     3.147752       0.4761419     4.137136       0.4733876     199.6756 17.44438 233.1290 14.78208 -33.45338      22.86517 
1 1 1 8  1  97  o 130.4134 10.85458 1.244924       0.1936914     1.074697       0.2745028     1.413715       0.2733428     115.9131 17.71274 135.8391 14.81299 -19.92600      23.09038 
1 1 1 8  1  98  o 247.7556 9.311502 4.412202       0.3185526     3.743981       0.4474701     5.098842       0.4535952     221.4300 14.71873 262.1729 12.52976 -40.74295      19.32966 
1 1 1 8  1  99  o 137.9682 10.51983 1.393552       0.1989025     1.161911       0.2822112     1.622194       0.2803788     120.1432 17.52733 145.7180 14.11136 -25.57487      22.50195 
1 1 1 8  1  100 o 131.9182 10.36716 1.277783       0.1873224     1.194004       0.2664400     1.359670       0.2634136     122.5384 16.13936 132.3093 14.66482 -9.770897      21.80679 
1 1 1 8  1  101 o 51.20906 14.97423 0.2118294      0.1125786     0.1784676      0.1628101     0.2423954      0.1558390     48.44130 18.09842 53.90431 17.91546 -5.463009      25.46599 
1 1 1 8  1  102 o 52.19762 14.98054 0.2244447      0.1136214     0.1615371      0.1635107     0.2831841      0.1580007     46.50063 17.95643 57.01698 17.96938 -10.51635      25.40339 
1 1 1 8  1  103 o 78.24557 13.66875 0.4928348      0.1423067     0.5262317      0.1938144     0.4537696      0.2096175     76.39183 18.55754 68.65445 20.52580 7.737381       27.67112 
1 1 1 8  1  104 o 46.29951 16.80134 0.1843005      0.1386096     0.2446440      0.2235563     0.1466160      0.1766660     51.19918 20.60773 44.24489 18.12951 6.954288       27.44736 
1 1 1 8  1  105 o 101.5274 15.24306 0.8937438      0.2070946     0.9250832      0.3306551     0.8735152      0.2656525     85.09458 25.85619 91.39474 21.42313 -6.300156      33.57816 
1 1 1 8  1  106 f 49.83590 17.14346 0.2502150      0.1427398     0.3233392      0.2078922     0.1849965      0.1963326     52.50122 20.25464 44.13308 18.67333 8.368145       27.54893 
1 1 1 8  1  107 o 81.56085 14.81033 0.6214175      0.1606522     0.8523504      0.2522683     0.4638667      0.2083675     82.59663 21.80010 59.33910 20.69573 23.25753       30.05924 
1 1 1 8  1  108 o 60.65846 16.73734 0.4134224      0.1447624     0.5665151      0.2272137     0.3088171      0.1878167     58.93005 21.49185 46.09575 18.76786 12.83430       28.53300 
1 1 1 8  1  109 o 33.44305 14.30846 0.1225540      0.1175300     0.1144510      0.1869154     0.1278526      0.1511489     33.23619 15.67072 33.64525 15.21373 -0.4090538     21.84100 
1 1 1 8  1  110 o 26.41448 12.27035 0.4366957E-01  0.1076698     0.7402582E-01  0.1715100     0.2392454E-01  0.1383230     28.92484 13.99912 26.65046 12.81665 2.274380       18.98004 
1 1 1 8  1  111 o 22.81405 10.98475 0.1196811E-01  0.1023306     0.5619386E-01  0.1627221     -0.1696393E-01 0.1316129     25.45819 12.58730 22.99991 11.36214 2.458281       16.95696 
1 1 1 8  1  112 o 20.87697 10.31032 0.1967254E-01  0.1080936     -0.1245778     0.1564777     0.1513380      0.1494961     19.50385 9.956352 24.18199 11.97572 -4.678137      15.57392 
1 1 1 8  1  113 o 20.60570 10.55797 0.2520801      0.1919064     0.2797930      0.2421437     0.2052751      0.3146874     20.09512 10.36787 19.34076 10.04040 0.7543583      14.43269 
1 1 1 8  1  114 o 14.13295 7.323464 -0.2184902     0.1456566     -0.2184902     0.1456566     0.000000       0.000000      14.13295 7.323464 ?        ?        0.000000       7.323464 
1 1 1 8  1  115 o 12.96257 6.739391 -0.1289919     0.1663661     -0.1289919     0.1663661     0.000000       0.000000      12.96257 6.739391 ?        ?        0.000000       6.739391 
1 1 1 8  1  116 o 11.95248 6.223877 0.4811140E-01  0.2062168     0.4811140E-01  0.2062168     0.000000       0.000000      11.95248 6.223877 ?        ?        0.000000       6.223877 
1 1 1 8  1  117 o 10.47369 5.453869 0.1099775      0.2161844     0.1099775      0.2161844     0.000000       0.000000      10.47369 5.453869 ?        ?        0.000000       5.453869 
1 1 1 8  1  118 o 9.000452 4.678608 0.2493328      0.2415352     0.2493328      0.2415352     0.000000       0.000000      9.000452 4.678608 ?        ?        0.000000       4.678608 
1 1 1 8  1  119 o 7.286654 3.785636 -0.1503723     0.1716730     -0.1503723     0.1716730     0.000000       0.000000      7.286654 3.785636 ?        ?        0.000000       3.785636 
1 1 1 8  1  120 o ?        ?        0.3889505      0.2181446     0.3766073      0.2681862     0.4130857      0.3750153     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  1  121 o ?        ?        -0.7394741E-01 0.1443737     -0.4438327     0.2487995     0.1138335      0.1772726     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  1  122 o ?        ?        0.1710226      0.3040766     0.000000       0.000000      0.1710226      0.3040766     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  1  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  1  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  1  125 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  2  0   o 156.0720 25.18227 1.835130       0.5003236     0.000000       0.000000      1.835130       0.5003236     156.0720 25.18227 156.0720 25.18227 0.000000       0.000000 
1 1 1 8  2  1   o 176.4748 12.99978 2.183551       0.3145488     2.158269       0.3849075     2.234380       0.5457644     174.7272 16.13584 175.7457 23.04505 -1.018417      28.13254 
1 1 1 8  2  2   f 182.6440 11.24421 2.329379       0.2821998     2.342107       0.3252799     2.290648       0.5674264     182.8059 12.97053 177.7401 23.71126 5.065781       27.02700 
1 1 1 8  2  3   o 237.0780 11.24324 3.910454       0.3680617     3.923265       0.4234118     3.870839       0.7445711     236.8164 12.99802 231.8055 23.59062 5.010910       26.93447 
1 1 1 8  2  4   o 127.4816 11.32834 1.139570       0.1973344     1.156804       0.2270060     1.086271       0.3992198     128.1386 13.01021 121.1681 24.69864 6.970497       27.91573 
1 1 1 8  2  5   o 178.8896 11.23179 2.235245       0.2760338     2.114331       0.3176718     2.607929       0.5577127     173.5435 13.35928 190.5141 21.58116 -16.97050      25.38143 
1 1 1 8  2  6   o 366.6215 11.48612 9.356546       0.5814728     9.164524       0.6702314     9.940933       1.169225      362.3055 13.39713 372.7937 22.82379 -10.48813      26.46523 
1 1 1 8  2  7   o 167.5976 11.23508 1.963341       0.2585002     1.852442       0.2982237     2.298432       0.5183933     162.3425 13.42412 178.7152 21.43443 -16.37263      25.29114 
1 1 1 8  2  8   o 222.0105 11.27625 3.439300       0.3445466     3.163953       0.3967536     4.283906       0.6948761     212.3971 13.59944 244.9368 20.74023 -32.53973      24.80125 
1 1 1 8  2  9   o 344.5403 11.47141 8.266059       0.5457515     8.110353       0.6300725     8.733811       1.092060      340.7547 13.39093 349.1467 22.77645 -8.391998      26.42127 
1 1 1 8  2  10  o 163.7782 11.33530 1.876351       0.2547699     1.700908       0.3591973     2.053965       0.3614109     154.5775 17.11590 170.4551 15.52534 -15.87764      23.10823 
1 1 1 8  2  11  o 140.1343 11.45648 1.376651       0.2197451     1.330592       0.3112676     1.422414       0.3102677     136.5505 16.86679 141.4230 16.17950 -4.872437      23.37231 
1 1 1 8  2  12  o 192.4902 11.30440 2.589120       0.2991467     2.893525       0.4253320     2.291141       0.4208187     202.5524 15.32062 179.5969 17.17863 22.95544       23.01796 
1 1 1 8  2  13  o 234.8035 11.33132 3.840224       0.3673862     3.709207       0.4230244     4.242337       0.7410976     229.9913 13.37816 242.8034 22.35570 -12.81213      26.05288 
1 1 1 8  2  14  o 428.3814 11.77933 12.79332       0.6967697     12.23069       0.7974759     14.60851       1.432411      418.0991 13.81339 451.1046 23.07321 -33.00546      26.89206 
1 1 1 8  2  15  o 434.6146 11.75280 13.16913       0.7053156     12.14110       0.9837322     14.25666       1.011794      415.0271 17.16574 450.2010 16.27599 -35.17392      23.65524 
1 1 1 8  2  16  o 342.2085 10.34442 8.147998       0.4888042     7.167140       0.7610817     8.836641       0.6377128     318.2784 17.38331 355.5871 12.98797 -37.30872      21.69947 
1 1 1 8  2  17  o 354.1127 10.38623 8.726563       0.5078523     7.174391       0.7839372     9.849048       0.6666556     318.1323 17.91875 375.4069 12.86060 -57.27460      22.05622 
1 1 1 8  2  18  o 456.0871 9.654659 14.46292       0.6080268     14.68441       0.8641123     14.24572       0.8557088     457.9599 13.66485 451.0328 13.73978 6.927063       19.37807 
1 1 1 8  2  19  o 369.3741 9.434095 9.485017       0.4811767     9.151962       0.6785195     9.821962       0.6824712     361.4958 13.59318 374.6487 13.19235 -13.15289      18.94235 
1 1 1 8  2  20  o 460.1676 9.650256 14.72787       0.6131870     14.65666       0.8693339     14.79836       0.8650367     457.3199 13.76666 459.5922 13.63088 -2.272217      19.37322 
1 1 1 8  2  21  o 276.0306 10.20721 5.304910       0.3890473     4.906668       0.6179326     5.566435       0.5007537     262.9648 17.11103 282.0601 12.85715 -19.09521      21.40312 
1 1 1 8  2  22  o 182.7376 10.18903 2.332347       0.2560750     2.079842       0.4087180     2.495518       0.3285558     170.5530 17.60847 188.4547 12.70000 -17.90166      21.71055 
1 1 1 8  2  23  f 344.3651 9.409063 8.248453       0.4474077     8.069405       0.6327284     8.427503       0.6327316     339.2781 13.50590 346.8377 13.21160 -7.559540      18.89327 
1 1 1 8  2  24  f 218.4798 9.220715 3.319647       0.2781723     2.946064       0.3919144     3.698928       0.3948925     204.4105 13.96879 229.6001 12.50284 -25.18958      18.74695 
1 1 1 8  2  25  o 117.3879 9.414712 0.9647377      0.1513208     0.8578930      0.2147305     1.070140       0.2132768     109.5603 14.55409 123.0019 12.74204 -13.44158      19.34376 
1 1 1 8  2  26  o 340.4515 8.677970 8.055775       0.4079542     7.912605       0.5394903     8.246968       0.6234416     336.5328 11.60963 342.9920 13.16357 -6.459198      17.55173 
1 1 1 8  2  27  o 344.8238 8.170556 8.258711       0.3890334     8.239931       0.5494875     8.277585       0.5508677     343.3925 11.58855 344.1752 11.59124 -0.7827148     16.39058 
1 1 1 8  2  28  o 215.8711 8.031734 3.236299       0.2394098     3.461700       0.3392839     3.012767       0.3378736     222.6841 11.03408 207.2431 11.85614 15.44098       16.19626 
1 1 1 8  2  29  o 214.5862 7.956606 3.197551       0.2357587     3.047913       0.3320553     3.349662       0.3347877     208.5265 11.57771 218.7596 11.11978 -10.23305      16.05281 
1 1 1 8  2  30  o 251.2061 7.998030 4.382217       0.2774286     4.531475       0.3925335     4.233250       0.3921533     254.7501 11.15898 246.1291 11.53865 8.621048       16.05189 
1 1 1 8  2  31  o 214.7184 8.532660 3.204060       0.2529832     3.213458       0.3342308     3.191452       0.3871103     214.2073 11.34027 212.9280 13.23177 1.279297       17.42646 
1 1 1 8  2  32  f 285.1594 9.292317 5.657458       0.3658893     5.476618       0.5146084     5.842340       0.5203302     279.4332 13.33709 288.7079 13.05216 -9.274780      18.66110 
1 1 1 8  2  33  o 228.5421 9.224831 3.633163       0.2911137     3.728423       0.5039899     3.585468       0.3566228     229.2856 16.01935 226.3032 11.44974 2.982437       19.69050 
1 1 1 8  2  34  o 251.3970 9.247393 4.395873       0.3210090     4.327527       0.4534444     4.464540       0.4545082     248.1258 13.28288 252.0931 13.10215 -3.967224      18.65746 
1 1 1 8  2  35  o 202.5472 8.570579 2.850316       0.2397035     3.172283       0.3186831     2.430837       0.3637545     213.0058 10.87121 185.4908 14.31261 27.51498       17.97315 
1 1 1 8  2  36  o 321.1806 8.095069 7.161755       0.3590110     6.995639       0.5063915     7.329623       0.5090555     316.5156 11.58653 324.0487 11.37672 -7.533051      16.23814 
1 1 1 8  2  37  f 163.8600 7.987947 1.863706       0.1807366     2.000001       0.2564385     1.729178       0.2547701     168.9852 11.05083 156.9044 11.84646 12.08073       16.20060 
1 1 1 8  2  38  o 153.5322 8.151623 1.640888       0.1721958     1.924359       0.2448926     1.363677       0.2421736     165.8246 10.75318 139.0511 12.75505 26.77351       16.68299 
1 1 1 8  2  39  o 298.6016 8.084302 6.188431       0.3333287     6.018823       0.4700849     6.359945       0.4727221     293.6674 11.59264 301.9452 11.33809 -8.277740      16.21548 
1 1 1 8  2  40  o 408.6330 8.835400 11.59996       0.4985373     11.78409       0.6614691     11.35783       0.7585323     410.9275 11.65753 402.6337 13.64351 8.293793       17.94556 
1 1 1 8  2  41  o 288.6277 9.325345 5.790706       0.3716558     6.026809       0.5275201     5.558010       0.5237020     293.5133 13.01587 281.7382 13.46172 11.77515       18.72514 
1 1 1 8  2  42  o 455.2691 8.956260 14.39897       0.5630317     14.13794       0.8551763     14.59869       0.7480310     449.2303 13.78633 457.3603 11.84468 -8.130005      18.17579 
1 1 1 8  2  43  o 250.1052 8.651193 4.343585       0.2987697     4.285766       0.4564523     4.386926       0.3951873     247.0900 13.42877 250.8191 11.41049 -3.729034      17.62189 
1 1 1 8  2  44  o 218.1940 9.334441 3.308897       0.2812349     3.265741       0.3967267     3.352489       0.3987332     215.6139 13.39149 218.5009 13.27868 -2.886932      18.85883 
1 1 1 8  2  45  o 263.4895 8.643600 4.820748       0.3144822     4.728382       0.4143716     4.946219       0.4829543     260.3771 11.52522 265.9023 13.15364 -5.525177      17.48854 
1 1 1 8  2  46  o 134.8882 8.236032 1.267362       0.1526667     1.214601       0.2155415     1.320478       0.2162669     131.3809 12.01420 137.1295 11.52842 -5.748627      16.65069 
1 1 1 8  2  47  o 218.6810 8.109658 3.318353       0.2448790     3.534639       0.3468035     3.103291       0.3458208     225.1902 11.15311 210.5296 11.94518 14.66057       16.34256 
1 1 1 8  2  48  o 334.4783 8.178990 7.764272       0.3777510     7.530253       0.5316983     8.002788       0.5367791     328.5031 11.72163 338.7275 11.47644 -10.22443      16.40443 
1 1 1 8  2  49  o 301.2543 8.158682 6.298748       0.3393839     6.734099       0.4823972     5.872083       0.4775618     310.7610 11.24191 290.0105 11.92553 20.75049       16.38899 
1 1 1 8  2  50  o 349.6702 8.226141 8.487748       0.3971848     8.323017       0.5598267     8.654709       0.5636008     345.2881 11.74178 352.1507 11.59058 -6.862671      16.49882 
1 1 1 8  2  51  o 259.4106 8.114742 4.671351       0.2906702     4.654858       0.4104961     4.687936       0.4116457     258.2450 11.51169 259.1631 11.50303 -0.9180298     16.27387 
1 1 1 8  2  52  o 322.3086 8.757513 7.219521       0.3897540     7.096047       0.5140623     7.386468       0.5977455     318.7277 11.68041 324.6135 13.33558 -5.885834      17.72765 
1 1 1 8  2  53  o 365.7870 8.836346 9.302073       0.4463123     8.782988       0.5857367     10.02066       0.6891628     354.4124 11.96893 378.0446 13.20203 -23.63214      17.81991 
1 1 1 8  2  54  o 293.6178 9.459263 6.001193       0.3835108     5.914634       0.6630456     6.044712       0.4701341     288.5565 16.71237 294.0824 11.57750 -5.525940      20.33081 
1 1 1 8  2  55  o 309.2717 9.466930 6.660131       0.4042847     6.302005       0.5685961     7.026301       0.5749466     299.4371 13.75182 316.4128 13.15938 -16.97571      19.03370 
1 1 1 8  2  56  o 207.1931 8.726526 2.986149       0.2496632     2.890566       0.3300875     3.113928       0.3816537     202.8857 11.83392 210.1745 13.21811 -7.288727      17.74148 
1 1 1 8  2  57  o 159.2765 8.307229 1.768679       0.1820700     1.703125       0.2570225     1.834709       0.2579519     155.4492 12.06876 161.4868 11.64630 -6.037598      16.77174 
1 1 1 8  2  58  o 179.3217 8.238380 2.236376       0.2039918     2.330938       0.2891492     2.142673       0.2878314     182.0831 11.56037 174.4154 12.02477 7.667694       16.68044 
1 1 1 8  2  59  o 164.7058 8.305543 1.892199       0.1882843     1.841768       0.2662478     1.942649       0.2663006     161.5935 12.01828 166.0762 11.68702 -4.482788      16.76382 
1 1 1 8  2  60  o 196.4281 8.217826 2.684861       0.2228941     2.673002       0.3154764     2.696683       0.3149638     194.8545 11.78054 195.7423 11.70670 -0.8877563     16.60806 
1 1 1 8  2  61  o 183.8982 8.270132 2.353951       0.2100041     2.367151       0.2973838     2.340822       0.2965991     183.2814 11.81354 182.2436 11.85076 1.037872       16.73321 
1 1 1 8  2  62  o 212.2744 8.822092 3.140595       0.2585873     3.314945       0.3437819     2.913419       0.3924216     217.0814 11.51003 202.5144 14.12167 14.56705       18.21819 
1 1 1 8  2  63  o 354.2420 9.618097 8.763628       0.4704649     8.760929       0.6656587     8.766321       0.6650175     352.1357 13.69000 352.2545 13.67220 -0.1188049     19.34801 
1 1 1 8  2  64  o 175.4117 9.670823 2.155684       0.2333344     2.146210       0.4035492     2.160443       0.2859873     172.3742 17.18357 174.9542 11.90903 -2.579926      20.90694 
1 1 1 8  2  65  f 159.4171 9.095325 1.778688       0.1993826     1.722954       0.2630037     1.854004       0.3057355     156.0154 12.30830 161.3559 13.85661 -5.340500      18.53375 
1 1 1 8  2  66  o 124.9412 9.415556 1.096060       0.1612450     0.9581023      0.2117737     1.286365       0.2487276     115.7167 13.50794 134.2636 13.60395 -18.54691      19.17112 
1 1 1 8  2  67  o 169.5877 8.419032 2.004087       0.1971489     2.034240       0.2791469     1.974079       0.2784757     169.6581 11.99299 167.0661 12.15481 2.591949       17.07546 
1 1 1 8  2  68  f 103.5227 9.188482 0.7539181      0.1299810     0.8020676      0.1844443     0.7064140      0.1832037     105.8914 12.87964 99.03407 13.76971 6.857338       18.85445 
1 1 1 8  2  69  o 107.1732 9.147325 0.8076267      0.1340725     0.7409385      0.1896484     0.8742568      0.1895659     101.4067 13.91047 110.6694 12.63122 -9.262718      18.78960 
1 1 1 8  2  70  o 104.8824 9.285837 0.7742461      0.1330912     0.8393133      0.1885320     0.7096088      0.1879083     108.3297 12.85458 99.12203 14.12883 9.207626       19.10142 
1 1 1 8  2  71  f 174.2002 8.558439 2.116405       0.2058644     2.213255       0.2918283     2.020469       0.2904490     176.8959 12.01865 168.7981 12.55109 8.097733       17.37750 
1 1 1 8  2  72  o 112.2987 9.327333 0.8871400      0.1433250     0.8670903      0.2026017     0.9072256      0.2027829     109.8652 13.64915 112.5173 13.30979 -2.652061      19.06436 
1 1 1 8  2  73  o 85.92816 11.22256 0.5271448      0.1299769     0.4801847      0.1720732     0.5895383      0.1983436     80.64735 16.01677 89.36359 16.68754 -8.716232      23.13030 
1 1 1 8  2  74  o 148.6919 11.38629 1.563511       0.2320034     1.696370       0.3693074     1.476894       0.2981888     152.3793 17.89239 143.1237 15.32666 9.255692       23.55937 
1 1 1 8  2  75  o 157.2834 11.17846 1.747683       0.2411935     1.589469       0.3875293     1.847721       0.3081521     146.5398 19.64654 160.7174 14.02614 -14.17761      24.13958 
1 1 1 8  2  76  o 114.5640 10.09665 0.9270068      0.1580885     0.7197395      0.2116445     1.188605       0.2377712     99.07209 16.01757 128.7596 13.57814 -29.68746      20.99829 
1 1 1 8  2  77  o 80.24867 11.26242 0.4618171      0.1213617     0.4374309      0.1729216     0.4854890      0.1703698     76.52417 16.82320 81.00918 15.79817 -4.485008      23.07818 
1 1 1 8  2  78  o 144.2302 9.189728 1.462079       0.1820661     1.517653       0.2587031     1.407542       0.2562749     145.6956 12.99572 140.1146 13.40978 5.581009       18.67380 
1 1 1 8  2  79  o 116.4190 9.852027 0.9583100      0.1568892     1.087541       0.2239493     0.8337591      0.2198569     122.8978 13.41463 106.7249 15.36148 16.17294       20.39430 
1 1 1 8  2  80  o 52.25826 14.08747 0.2023566      0.1039652     0.3046688      0.1504140     0.1087630      0.1438626     63.58103 16.85836 44.51881 16.92893 19.06222       23.89128 
1 1 1 8  2  81  o 100.5459 10.36228 0.7208186      0.1418044     0.5425880      0.2026144     0.8919382      0.1985313     84.43903 17.93149 110.9326 13.22125 -26.49360      22.27868 
1 1 1 8  2  82  o 74.81778 13.07783 0.4121297      0.1301884     0.4103792      0.1757808     0.4142565      0.1937576     73.14416 17.61447 73.09274 19.01618 0.5141449E-01  25.92074 
1 1 1 8  2  83  o 68.17726 14.63384 0.3498937      0.1336440     0.3233515      0.1911148     0.3752933      0.1869560     64.66093 19.65953 69.38210 18.97000 -4.721169      27.31955 
1 1 1 8  2  84  o 100.0265 12.63064 0.7317578      0.1705642     0.5113618      0.2924775     0.8453395      0.2099640     78.58683 24.39727 106.6415 14.64540 -28.05467      28.45548 
1 1 1 8  2  85  o 88.14550 13.09388 0.5753375      0.1545271     0.5327180      0.2033093     0.6336383      0.2377875     82.25450 18.36489 89.05649 19.84445 -6.801987      27.03833 
1 1 1 8  2  86  o 93.18066 12.82280 0.6429956      0.1606148     0.5929858      0.2100581     0.7133884      0.2492161     86.64236 18.13960 94.19438 19.78989 -7.552017      26.84557 
1 1 1 8  2  87  o 91.78276 11.94120 0.6209660      0.1477536     0.6544461      0.2111639     0.5888510      0.2068142     91.24699 17.39454 86.09243 17.97739 5.154564       25.01513 
1 1 1 8  2  88  f 95.94754 11.59975 0.6774905      0.1505607     0.7232041      0.2138841     0.6325876      0.2119786     96.19391 16.70873 89.11411 17.84918 7.079796       24.44944 
1 1 1 8  2  89  o 111.4512 10.77061 0.9059754      0.1636876     0.9746764      0.2309934     0.8366813      0.2319884     112.7890 15.22055 103.2771 16.84864 9.511932       22.70555 
1 1 1 8  2  90  o 43.52877 15.34657 0.1342996      0.1147550     0.1858945      0.1610503     0.8108737E-01  0.1635550     50.33781 18.13387 42.52133 17.43591 7.816479       25.15648 
1 1 1 8  2  91  o 83.34117 13.01653 0.5249588      0.1448958     0.5887856      0.2036287     0.4594951      0.2062233     85.34413 17.85308 73.97726 19.79804 11.36687       26.65886 
1 1 1 8  2  92  o 116.0757 11.02119 0.9888446      0.1745289     1.127018       0.2450962     0.8467112      0.2485831     121.1009 14.97645 102.3282 18.26287 18.77272       23.61836 
1 1 1 8  2  93  o 63.73143 16.31567 0.3257739      0.1441940     0.3608457      0.1880247     0.2756954      0.2246781     65.68141 19.39359 58.67595 21.37579 7.005466       28.86236 
1 1 1 8  2  94  o 181.5716 12.72902 2.454530       0.3171217     2.542249       0.5092475     2.398967       0.4052986     173.5096 21.73202 174.6467 17.02289 -1.137054      27.60542 
1 1 1 8  2  95  o 195.9730 11.20226 2.810609       0.3018795     2.959707       0.4360164     2.673334       0.4183741     195.0829 16.33663 185.1043 16.54285 9.978592       23.24976 
1 1 1 8  2  96  o 290.8914 9.230930 6.070524       0.3707784     6.384648       0.5249759     5.757871       0.5237460     292.9911 12.97618 277.1218 13.68712 15.86926       18.86050 
1 1 1 8  2  97  o 169.2735 10.05077 2.078591       0.2338700     2.341010       0.3328043     1.822576       0.3287177     176.0085 13.80428 153.2284 15.76097 22.78018       20.95152 
1 1 1 8  2  98  o 230.4264 9.378977 3.825517       0.2984185     3.894166       0.4234398     3.757777       0.4206293     227.0731 13.56684 222.8088 13.73893 4.264343       19.30848 
1 1 1 8  2  99  o 113.7613 11.21869 0.9606321      0.1739334     1.186098       0.2494374     0.7472506      0.2426607     123.3504 14.95016 94.06871 19.32810 29.28173       24.43528 
1 1 1 8  2  100 o 97.37141 11.79778 0.7157255      0.1553866     0.7733935      0.2230762     0.6613734      0.2165679     96.84447 17.31736 88.53290 18.31941 8.311577       25.20896 
1 1 1 8  2  101 o 74.25517 14.44610 0.4433280      0.1427891     0.5319245      0.2205991     0.3794428      0.1873249     76.15082 20.51743 64.96653 19.39925 11.18429       28.23643 
1 1 1 8  2  102 o 67.69106 15.96057 0.3888381      0.1467535     0.4347364      0.2118099     0.3464624      0.2035200     67.20396 20.74525 60.34879 20.47575 6.855164       29.14827 
1 1 1 8  2  103 o 44.39240 16.69867 0.1601785      0.1390602     0.2016795      0.2180722     0.1317376      0.1805269     48.98304 20.11489 43.71531 18.15950 5.267731       27.09938 
1 1 1 8  2  104 o 34.20178 14.89764 0.3797252E-01  0.1319280     -0.2898915E-02 0.2067634     0.6603867E-01  0.1713385     37.56586 17.29142 38.52770 16.87424 -0.9618378     24.16057 
1 1 1 8  2  105 f 77.20059 16.51958 0.5569817      0.1707779     0.5515416      0.2437950     0.5622230      0.2393007     66.77129 22.41154 68.08965 22.17992 -1.318359      31.53135 
1 1 1 8  2  106 o 64.52363 16.59704 0.4195386      0.1487149     0.5927737      0.2305997     0.2961877      0.1945862     67.22214 21.76464 49.07783 19.40016 18.14431       29.15589 
1 1 1 8  2  107 o 83.43435 15.07632 0.6864864      0.1672988     0.6840910      0.2586167     0.6882102      0.2193864     63.42326 22.95966 71.57288 20.89638 -8.149620      31.04521 
1 1 1 8  2  108 o 35.16121 14.55266 0.1376815      0.1153282     0.4167460E-01  0.1665448     0.2261339      0.1598580     30.91505 14.64140 39.65057 16.81726 -8.735521      22.29777 
1 1 1 8  2  109 o 36.49374 14.89154 0.1936432      0.1185776     0.2548355      0.1699424     0.1355854      0.1655327     36.62061 16.37990 31.61603 14.85723 5.004580       22.11421 
1 1 1 8  2  110 o 28.68042 13.14460 0.1227641      0.1177338     0.1705178      0.1559493     0.5947605E-01  0.1795315     29.69302 14.09310 26.43250 13.09623 3.260511       19.23868 
1 1 1 8  2  111 f 22.36965 10.98734 0.4067067E-01  0.1172922     -0.1461225     0.1421453     0.4392241      0.2076325     19.30090 9.818831 29.34336 14.45290 -10.04246      17.47272 
1 1 1 8  2  112 o 20.51882 10.38965 0.1002064      0.1468032     0.1293122      0.2024629     0.6793994E-01  0.2131730     20.45769 10.50566 19.93841 10.26076 0.5192719      14.68509 
1 1 1 8  2  113 o 17.32800 8.929197 0.1278954      0.1701612     -0.1381281E-01 0.2083267     0.4119449      0.2949473     16.45465 8.532811 17.64037 9.167979 -1.185720      12.52440 
1 1 1 8  2  114 o 14.25970 7.390900 0.4603481E-01  0.1507352     -0.1317521     0.1877014     0.3689193      0.2529538     13.63952 7.091774 14.88164 7.743671 -1.242120      10.50037 
1 1 1 8  2  115 f 12.11731 6.297656 -0.3424626E-01 0.1394704     0.2000753E-01  0.1736195     -0.1329530     0.2341837     12.34314 6.422626 12.12613 6.314922 0.2170124      9.007129 
1 1 1 8  2  116 f 10.94809 5.701534 0.9392347E-01  0.2043902     0.9392347E-01  0.2043902     0.000000       0.000000      10.94809 5.701534 ?        ?        0.000000       5.701534 
1 1 1 8  2  117 o ?        ?        -0.4388298     0.7657430E-01 -0.4388298     0.7657430E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  2  118 o 7.630970 3.972578 -0.1659712     0.1296005     -0.2769458     0.1602621     0.4375375E-01  0.2203151     7.619416 3.962655 ?        ?        0.000000       3.962655 
1 1 1 8  2  119 o 6.450089 3.351538 -0.7821248E-01 0.1313569     0.2477937E-01  0.1647503     -0.2579336     0.2176328     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  2  120 o ?        ?        0.6775837E-01  0.1614084     0.6780566E-01  0.2027015     0.6767643E-01  0.2668260     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  2  121 o ?        ?        0.6103674E-01  0.1800821     0.3231388      0.2542433     -0.2028515     0.2551081     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  2  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  2  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  2  124 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  3  0   o 137.3885 26.56919 1.466983       0.4497723     0.000000       0.000000      1.466983       0.4497723     137.3885 26.56919 137.3885 26.56919 0.000000       0.000000 
1 1 1 8  3  1   o 308.4045 16.35658 6.713048       0.6940584     6.009654       0.9682611     7.456417       0.9953946     287.8099 24.60034 321.9992 22.52930 -34.18924      33.35785 
1 1 1 8  3  2   o 120.9594 13.29670 1.035061       0.2184206     1.191931       0.2675510     0.7216125      0.3781984     129.4425 15.26241 98.03885 27.05382 31.40366       31.06204 
1 1 1 8  3  3   o 135.0227 13.24252 1.286659       0.2437194     1.039440       0.2964277     1.802446       0.4281669     119.9086 18.49825 158.1036 20.06417 -38.19502      27.29022 
1 1 1 8  3  4   o 132.7961 16.28176 1.258739       0.2923008     1.258739       0.2923008     0.000000       0.000000      132.7961 16.28176 ?        ?        0.000000       16.28176 
1 1 1 8  3  5   o 107.2364 13.28133 0.8161214      0.1924555     0.8161214      0.1924555     0.000000       0.000000      107.2364 13.28133 ?        ?        0.000000       13.28133 
1 1 1 8  3  6   o 201.2230 13.04086 2.842602       0.3603940     2.842602       0.3603940     0.000000       0.000000      201.2230 13.04086 ?        ?        0.000000       13.04086 
1 1 1 8  3  7   o 286.1688 13.09932 5.727270       0.5176176     5.727270       0.5176176     0.000000       0.000000      286.1688 13.09932 ?        ?        0.000000       13.09932 
1 1 1 8  3  8   o 108.2190 11.51735 0.8256750      0.1694603     1.011263       0.1954615     0.2639897      0.3400426     119.7944 11.97694 68.92401 26.07048 50.87044       28.69001 
1 1 1 8  3  9   o 137.9238 11.43053 1.335447       0.2157306     1.212810       0.2481483     1.714988       0.4365455     130.8503 13.94909 153.6949 21.12871 -22.84457      25.31797 
1 1 1 8  3  10  o 274.0033 13.13094 5.253532       0.4968091     5.324244       0.6078565     5.111255       0.8622259     274.4769 16.10885 265.3457 23.78514 9.131226       28.72678 
1 1 1 8  3  11  o 382.0040 13.45158 10.21930       0.7095438     9.905075       0.8619124     10.87999       1.249808      374.6752 16.65981 388.0083 23.43731 -13.33304      28.75512 
1 1 1 8  3  12  o 202.0242 11.38101 2.855846       0.3161911     2.638098       0.4425920     3.082825       0.4518759     192.6215 16.80869 208.6694 15.79992 -16.04785      23.06880 
1 1 1 8  3  13  o 308.9453 11.52454 6.660798       0.4916355     6.492317       0.6920178     6.832492       0.6985839     302.8550 16.61137 310.8352 16.33336 -7.980194      23.29627 
1 1 1 8  3  14  o 280.7485 11.40794 5.500035       0.4422448     5.636722       0.6270980     5.364795       0.6237726     282.2870 16.15526 275.2346 16.48885 7.052307       23.08407 
1 1 1 8  3  15  o 244.1272 11.36676 4.158916       0.3831694     4.118398       0.5413738     4.199585       0.5423942     241.0498 16.36183 243.4765 16.22611 -2.426682      23.04335 
1 1 1 8  3  16  o 297.0031 11.44628 6.157338       0.4694219     6.142018       0.6642691     6.172621       0.6634572     294.5233 16.39879 295.2876 16.33507 -0.7642212     23.14638 
1 1 1 8  3  17  o 177.9044 11.39719 2.218070       0.2785048     2.167131       0.3937768     2.269054       0.3939538     174.4175 16.54827 178.6340 16.14592 -4.216537      23.12003 
1 1 1 8  3  18  o 196.8928 10.17063 2.707411       0.2755689     2.261022       0.4321932     3.013205       0.3577131     177.7191 17.85331 207.1375 12.56597 -29.41838      21.83218 
1 1 1 8  3  19  f 270.6969 9.295114 5.097317       0.3474369     5.229338       0.4926336     4.966665       0.4900765     273.1848 13.05959 265.8142 13.39508 7.370575       18.70778 
1 1 1 8  3  20  o 362.5054 9.462515 9.144556       0.4736516     9.403781       0.6730882     8.890267       0.6666473     366.2020 13.31108 355.9581 13.56311 10.24393       19.00376 
1 1 1 8  3  21  o 317.4526 9.403570 7.012914       0.4122015     7.055210       0.5842987     6.971009       0.5815927     317.1460 13.34251 315.2409 13.36098 1.905060       18.88223 
1 1 1 8  3  22  o 297.1747 9.343834 6.145593       0.3834202     6.024719       0.5418228     6.266839       0.5426543     293.0248 13.39106 298.9417 13.14615 -5.916901      18.76544 
1 1 1 8  3  23  o 271.0546 9.308078 5.112632       0.3483813     5.115576       0.4932865     5.109701       0.4920869     270.0538 13.22851 269.9067 13.20353 0.1470947      18.69028 
1 1 1 8  3  24  f 257.7330 9.298181 4.622339       0.3309070     4.585832       0.4679871     4.658842       0.4679593     255.3339 13.31972 257.4031 13.21057 -2.069275      18.75991 
1 1 1 8  3  25  o 106.5935 9.673805 0.7974668      0.1408348     0.6876395      0.1981827     0.9095114      0.2001733     97.69932 15.18346 113.1886 13.04636 -15.48928      20.01861 
1 1 1 8  3  26  o 258.7867 10.18305 4.667138       0.3638795     4.983659       0.4721194     4.203983       0.5711009     266.6933 12.82041 242.9981 17.13016 23.69516       21.39639 
1 1 1 8  3  27  o 133.6226 10.28226 1.251547       0.1882603     1.131281       0.2419439     1.436110       0.2997198     126.1371 14.13402 141.9028 15.55101 -15.76577      21.01439 
1 1 1 8  3  28  o 182.3402 9.290935 2.318883       0.2331513     2.228152       0.3292471     2.410144       0.3302064     177.7249 13.51773 185.0220 13.00752 -7.297058      18.75965 
1 1 1 8  3  29  o 150.2239 9.346596 1.575891       0.1929180     1.543668       0.2728724     1.608092       0.2727821     147.7624 13.52389 150.9151 13.22355 -3.152679      18.91449 
1 1 1 8  3  30  o 95.44702 10.83703 0.6432696      0.1402953     0.5623650      0.2212595     0.6976687      0.1814309     87.32812 18.89755 98.84223 13.65816 -11.51411      23.31658 
1 1 1 8  3  31  o 107.7895 11.76182 0.8209250      0.1722194     0.8385466      0.2458158     0.8039371      0.2413556     107.6388 17.11147 105.3252 17.18831 2.313614       24.25366 
1 1 1 8  3  32  o 245.9716 10.24873 4.214372       0.3480913     4.173884       0.4512869     4.273843       0.5469393     243.6528 13.46579 245.5754 16.22069 -1.922531      21.08171 
1 1 1 8  3  33  o 161.8327 9.575593 1.828336       0.2130263     1.410674       0.2995495     2.255703       0.3030096     140.6777 15.68793 179.2061 12.32004 -38.52838      19.94729 
1 1 1 8  3  34  o 202.9937 9.362043 2.865521       0.2624165     2.627816       0.3708206     3.103977       0.3714061     193.0541 14.00595 210.2272 12.85625 -17.17310      19.01183 
1 1 1 8  3  35  o 332.3900 10.36134 7.694306       0.4755561     7.643498       0.6152363     7.769721       0.7495579     330.3013 13.48943 331.8844 16.35612 -1.583099      21.20112 
1 1 1 8  3  36  o 254.4832 9.354275 4.502441       0.3287057     4.512817       0.4034851     4.481966       0.5668023     254.3282 11.48934 251.6010 16.40453 2.727203       20.02781 
1 1 1 8  3  37  o 172.8784 9.337562 2.083515       0.2220745     2.068875       0.3138119     2.098202       0.3143101     171.4081 13.36428 172.6441 13.28671 -1.236023      18.84517 
1 1 1 8  3  38  o 131.5636 8.798847 1.207492       0.1589235     1.021802       0.2412690     1.349808       0.2112201     119.7508 14.91419 138.7269 11.11994 -18.97608      18.60339 
1 1 1 8  3  39  f 250.9284 8.073485 4.369031       0.2797363     4.316259       0.3954300     4.421898       0.3957839     248.7664 11.51171 251.8207 11.38227 -3.054291      16.18875 
1 1 1 8  3  40  o 146.5862 8.709888 1.497343       0.1755040     1.507454       0.2689922     1.489849       0.2315871     146.1521 13.48092 145.6980 11.60756 0.4541473      17.78963 
1 1 1 8  3  41  o 158.6648 9.429297 1.755942       0.2056554     1.822498       0.2916943     1.690161       0.2899945     160.8727 13.24912 154.7731 13.71119 6.099655       19.06661 
1 1 1 8  3  42  o 140.9660 8.839042 1.385468       0.1711808     1.330054       0.2261413     1.459828       0.2619619     137.5301 12.02914 143.8438 13.34073 -6.313644      17.96316 
1 1 1 8  3  43  o 328.8794 8.167281 7.505796       0.3708960     7.598545       0.5249090     7.413318       0.5241441     330.0761 11.51680 325.9917 11.64411 4.084381       16.37748 
1 1 1 8  3  44  o 83.74406 8.842851 0.4924240      0.1007085     0.5606093      0.1434728     0.4261978      0.1413967     88.84275 12.00250 76.88192 13.82756 11.96083       18.31015 
1 1 1 8  3  45  o 151.7313 8.174449 1.602313       0.1706344     1.635863       0.2417743     1.569017       0.2408553     152.7165 11.55073 149.5013 11.76238 3.215210       16.48554 
1 1 1 8  3  46  f 232.6292 8.079459 3.755492       0.2595282     3.766462       0.3669685     3.744516       0.3670881     232.3721 11.43686 231.6863 11.47445 0.6857452      16.20077 
1 1 1 8  3  47  o 132.7455 8.263798 1.227906       0.1507226     1.251495       0.2136830     1.204550       0.2126287     133.4073 11.71863 130.8249 11.90059 2.582413       16.70181 
1 1 1 8  3  48  o 52.17019 10.29419 0.1960490      0.7152355E-01 0.2241499      0.1022179     0.1690929      0.1001141     55.47719 13.47699 48.58822 14.09610 6.888969       19.50203 
1 1 1 8  3  49  o 200.3454 8.696471 2.788983       0.2405805     2.765254       0.3177770     2.820848       0.3682374     198.6634 11.63497 200.1844 13.39906 -1.521027      17.74563 
1 1 1 8  3  50  o 186.8197 8.675778 2.425685       0.2238046     2.370048       0.2953361     2.500729       0.3430002     183.8109 11.69692 188.4115 13.26880 -4.600540      17.68839 
1 1 1 8  3  51  o 105.1872 9.231884 0.7755664      0.1327324     0.8026059      0.2040150     0.7557209      0.1747814     105.9354 14.31358 103.1672 12.52611 2.768227       19.02056 
1 1 1 8  3  52  o 118.0481 9.851586 0.9774436      0.1591172     0.9980313      0.2762879     0.9672265      0.1946358     117.3566 17.59177 116.9311 12.23586 0.4255219      21.42864 
1 1 1 8  3  53  o 297.4900 9.444662 6.163038       0.3879688     5.994963       0.5469196     6.333284       0.5504389     292.0785 13.56082 300.3173 13.27366 -8.238800      18.97593 
1 1 1 8  3  54  o 120.8448 8.998329 1.021954       0.1490750     1.014468       0.1976645     1.031828       0.2270180     119.7478 12.12124 120.3248 13.92071 -0.5770416     18.45835 
1 1 1 8  3  55  o 114.7532 8.570196 0.9211549      0.1348180     0.9810118      0.1905561     0.8611654      0.1907670     117.7598 11.88134 110.0384 12.79394 7.721428       17.45999 
1 1 1 8  3  56  o 136.0744 8.459332 1.293248       0.1581595     1.465062       0.2239502     1.122288       0.2233935     144.2332 11.33605 125.6888 13.06250 18.54438       17.29552 
1 1 1 8  3  57  o 187.4572 8.236217 2.444894       0.2131906     2.523883       0.3013297     2.365728       0.3016646     189.4165 11.57646 183.2407 11.98851 6.175842       16.66550 
1 1 1 8  3  58  o 240.5911 8.217560 4.028117       0.2729986     4.156209       0.3860394     3.899975       0.3861172     243.4747 11.48259 235.4269 11.91631 8.047775       16.54836 
1 1 1 8  3  59  o 176.9360 8.825174 2.181662       0.2156143     2.182710       0.2858958     2.180279       0.3283406     175.9519 11.83610 175.2504 13.67667 0.7015686      18.08714 
1 1 1 8  3  60  o 109.2266 9.947803 0.8403103      0.1483906     0.8996268      0.2099092     0.7810538      0.2098029     112.0473 13.86309 103.9425 15.05617 8.104797       20.46640 
1 1 1 8  3  61  o 90.57638 9.730274 0.5794443      0.1197889     0.6248662      0.1823379     0.5449547      0.1588870     92.84489 14.71324 86.85145 13.70307 5.993439       20.10606 
1 1 1 8  3  62  o 106.7768 9.589607 0.8024641      0.1398815     0.9066969      0.2151401     0.7261308      0.1841096     112.3620 14.18231 100.5378 13.61200 11.82416       19.65768 
1 1 1 8  3  63  o 198.4842 9.661220 2.752372       0.2647866     2.982710       0.3745500     2.522244       0.3743795     205.1471 13.29383 188.1008 14.52652 17.04622       19.69126 
1 1 1 8  3  64  o 159.6868 9.101933 1.784989       0.1998657     1.882046       0.2632333     1.652871       0.3071205     163.2521 11.75604 151.9209 14.82951 11.33119       18.92403 
1 1 1 8  3  65  o 135.4501 8.669824 1.284235       0.1613030     1.460184       0.2289946     1.110957       0.2272492     143.7106 11.63978 124.7229 13.40569 18.98772       17.75379 
1 1 1 8  3  66  o 121.2209 8.782071 1.030150       0.1460019     1.113765       0.2070924     0.9475196      0.2058688     125.2382 12.12728 115.1242 13.18839 10.11398       17.91660 
1 1 1 8  3  67  o 177.0215 8.430221 2.184329       0.2060644     2.346364       0.2920752     2.023741       0.2907675     182.3276 11.66233 168.9797 12.55122 13.34793       17.13310 
1 1 1 8  3  68  o 223.9861 8.361026 3.496964       0.2585940     3.514417       0.3657311     3.479516       0.3656833     223.1582 11.91199 222.0197 11.97248 1.138443       16.88892 
1 1 1 8  3  69  o 80.66645 10.18796 0.4625965      0.1109492     0.5107272      0.1574107     0.4150781      0.1564059     83.81007 14.10269 74.98788 15.61261 8.822197       21.03900 
1 1 1 8  3  70  o 106.6243 9.479847 0.8008079      0.1381152     0.7202790      0.1943823     0.8829172      0.1962804     99.72418 14.54424 111.0630 13.04738 -11.33887      19.53892 
1 1 1 8  3  71  o 140.0972 9.529144 1.378585       0.1832452     1.448345       0.2414404     1.283804       0.2814265     142.8001 12.36665 133.2799 15.58631 9.520233       19.89641 
1 1 1 8  3  72  f 97.28531 12.97384 0.6800600      0.1699386     0.9261564      0.2710429     0.5206560      0.2181398     111.9752 18.15122 83.08765 19.37057 28.88757       26.54592 
1 1 1 8  3  73  o 128.9968 10.60645 1.175269       0.1872505     1.128115       0.3254881     1.198595       0.2289271     123.0414 19.83196 129.5720 12.96939 -6.530609      23.69624 
1 1 1 8  3  74  o 120.9798 10.06483 1.032718       0.1666087     1.070779       0.2222456     0.9838828      0.2517421     122.2199 13.38805 116.1367 16.13397 6.083206       20.96533 
1 1 1 8  3  75  o 90.84135 10.24529 0.5860696      0.1262680     0.4639251      0.1767494     0.7133791      0.1804478     78.89212 16.74316 99.41047 13.49441 -20.51835      21.50425 
1 1 1 8  3  76  o 112.8312 9.816122 0.8992978      0.1514113     1.037936       0.2137044     0.7595550      0.2145538     120.2816 13.07769 101.7759 15.77770 18.50572       20.49297 
1 1 1 8  3  77  f 152.7872 9.058461 1.640247       0.1902557     1.510706       0.2673985     1.773062       0.2707575     145.0652 13.50441 157.6463 12.54195 -12.58105      18.43013 
1 1 1 8  3  78  o 129.2635 9.490411 1.179030       0.1682102     1.248639       0.2375384     1.109014       0.2382334     131.7415 13.23698 123.7079 14.20416 8.033638       19.41586 
1 1 1 8  3  79  o 141.5331 9.321828 1.413410       0.1811587     1.421272       0.2561267     1.405538       0.2562675     140.3578 13.37730 139.5335 13.46814 0.8242950      18.98270 
1 1 1 8  3  80  o 94.73124 11.43933 0.6461966      0.1466050     0.6869219      0.1963972     0.5949454      0.2203206     96.24184 15.28996 88.00748 18.70635 8.234360       24.16010 
1 1 1 8  3  81  o 96.36967 12.09002 0.6734916      0.1573402     0.7230046      0.2227520     0.6241908      0.2222741     97.70321 17.13591 89.99757 18.50435 7.705635       25.22004 
1 1 1 8  3  82  f 80.20917 13.68547 0.4778926      0.1461340     0.6902815      0.2490320     0.3663482      0.1804734     93.65096 19.87289 68.45368 18.60591 25.19727       27.22336 
1 1 1 8  3  83  o 91.59370 13.44183 0.6214693      0.1649470     0.9506036      0.2325622     0.2882955      0.2339850     112.5742 15.36210 61.90144 21.90423 50.67279       26.75424 
1 1 1 8  3  84  o 136.1215 10.72519 1.335315       0.1999573     1.413889       0.2634937     1.228626       0.3070396     138.1039 14.01139 125.7917 18.20630 12.31221       22.97365 
1 1 1 8  3  85  o 106.4235 10.74093 0.8216330      0.1556809     0.7022536      0.2217913     0.9375761      0.2185759     94.59941 17.62781 111.6440 14.52225 -17.04462      22.83934 
1 1 1 8  3  86  o 122.4025 10.24673 1.083002       0.1715930     1.201800       0.2455057     0.9695398      0.2399287     126.3960 14.31928 112.3413 15.91187 14.05470       21.40629 
1 1 1 8  3  87  o 139.7944 9.834681 1.408412       0.1886310     1.666497       0.2696902     1.161231       0.2639319     149.6982 13.18145 122.7882 15.94297 26.91005       20.68645 
1 1 1 8  3  88  o 113.4376 10.53843 0.9370787      0.1631845     1.099755       0.2337334     0.7823784      0.2279314     120.4381 14.33628 99.44080 17.22362 20.99734       22.40942 
1 1 1 8  3  89  o 65.50558 14.37971 0.3333849      0.1265009     0.4020542      0.1818938     0.2690586      0.1760479     69.91243 18.53951 57.81753 19.03335 12.09490       26.57032 
1 1 1 8  3  90  o 63.20081 14.63258 0.3124765      0.1251784     0.1862262      0.1792959     0.4325376      0.1748459     50.91914 18.99883 72.98861 17.56172 -22.06947      25.87218 
1 1 1 8  3  91  o 67.29094 15.56730 0.3585388      0.1417724     0.3847574      0.1884166     0.3243226      0.2152437     67.86602 19.22902 62.26113 21.05757 5.604889       28.51624 
1 1 1 8  3  92  o 144.8319 13.18116 1.573252       0.2607215     1.741747       0.4245839     1.471258       0.3303380     142.8225 22.25434 135.4784 18.11176 7.344101       28.69305 
1 1 1 8  3  93  o 185.0280 12.33593 2.536441       0.3133653     2.014628       0.5095922     2.853748       0.3973798     149.4370 25.61796 193.2067 15.01307 -43.76970      29.69296 
1 1 1 8  3  94  o 209.6710 10.02286 3.173971       0.2901802     2.840372       0.3839657     3.618265       0.4431137     193.4177 14.48177 217.9446 14.81209 -24.52686      20.71521 
1 1 1 8  3  95  o 160.1522 10.03509 1.859425       0.2207972     1.786962       0.3091111     1.934911       0.3154954     152.7885 14.83878 159.3769 14.49449 -6.588425      20.74319 
1 1 1 8  3  96  o 149.6252 10.18511 1.628687       0.2091782     1.447350       0.2934850     1.815918       0.2982168     136.1910 15.90592 154.4966 14.13564 -18.30560      21.27944 
1 1 1 8  3  97  o 110.4905 12.01085 0.9125386      0.1802953     0.7531781      0.2673185     1.045526       0.2441990     93.05914 21.26774 115.3693 15.73980 -22.31012      26.45861 
1 1 1 8  3  98  o 112.7668 11.72439 0.9522287      0.1798926     0.7771425      0.2693757     1.093168       0.2416841     93.80647 21.28457 117.9380 15.19412 -24.13157      26.15137 
1 1 1 8  3  99  o 30.43410 13.37027 -0.4046892E-02 0.1082976     -0.1144542     0.1590126     0.9147074E-01  0.1479021     31.03573 14.57720 40.93805 16.65976 -9.902323      22.13690 
1 1 1 8  3  100 o 56.58476 16.74300 0.2739907      0.1400113     0.2013271      0.1934473     0.3539312      0.2029025     50.13561 19.48320 61.71117 20.43925 -11.57555      28.23753 
1 1 1 8  3  101 o 78.35287 16.95214 0.5326638      0.1780789     0.6832448      0.2711512     0.4184534      0.2361453     81.42628 23.06642 64.06255 22.04962 17.36372       31.90995 
1 1 1 8  3  102 o 53.30661 17.25001 0.2604619      0.1448698     0.1641576      0.2374253     0.3175837      0.1828541     46.92712 20.21234 56.90698 19.40786 -9.979858      28.02149 
1 1 1 8  3  103 o 55.72239 17.54726 0.3005712      0.1506923     0.2304789      0.2099995     0.3749771      0.2163652     48.56710 19.81772 58.01601 21.00081 -9.448910      28.87518 
1 1 1 8  3  104 o 44.88675 16.43438 0.1945825      0.1330461     0.1595233      0.1755423     0.2419059      0.2039476     42.25430 17.75546 47.22480 19.42967 -4.970505      26.32050 
1 1 1 8  3  105 o 72.77742 15.05322 0.5037234      0.1462819     0.3851787      0.2046448     0.6275774      0.2091775     53.60953 20.23747 72.48390 20.16416 -18.87437      28.56831 
1 1 1 8  3  106 o 42.09875 16.17565 0.2087134      0.1321971     0.9331606E-01  0.1743284     0.3648726      0.2027935     34.76366 15.95553 48.17733 19.54436 -13.41367      25.23016 
1 1 1 8  3  107 o 64.87749 17.02121 0.5264142      0.1543882     0.4629148      0.2039447     0.6116477      0.2362833     48.77110 19.66454 52.67754 21.19204 -3.906437      28.91015 
1 1 1 8  3  108 o 48.60567 17.16681 0.3934425      0.1436524     0.3281731      0.1897677     0.4810414      0.2198450     37.52964 17.00154 41.22240 18.52049 -3.692760      25.14082 
1 1 1 8  3  109 o 25.97940 12.27516 0.8077653E-01  0.1157978     0.8082018E-01  0.1538473     0.8071947E-01  0.1758813     26.05806 12.75434 26.11172 12.94179 -0.5366707E-01 18.17039 
1 1 1 8  3  110 o 23.50673 11.52014 0.1047603      0.1266952     0.2178334      0.1539347     -0.1326765     0.2230646     25.83294 12.66788 20.81423 10.70009 5.018715       16.58213 
1 1 1 8  3  111 o 21.17698 10.76968 0.2404544      0.1699638     0.2029823      0.2383784     0.2792021      0.2424022     19.85321 10.24470 20.26862 10.45411 -0.4154091     14.63701 
1 1 1 8  3  112 o 14.11271 7.288670 -0.1775196     0.1257946     -0.3386424     0.1558977     0.1231546      0.2129655     13.86804 7.196303 16.41735 8.516369 -2.549306      11.14968 
1 1 1 8  3  113 f 13.73341 7.120396 0.3960079E-01  0.1427731     0.8759148E-01  0.2007751     -0.9492155E-02 0.2030677     13.83950 7.197867 13.57255 7.061433 0.2669535      10.08331 
1 1 1 8  3  114 o 10.18758 5.292181 -0.2580812     0.9345648E-01 -0.1863022     0.1322873     -0.3296006     0.1320479     11.24311 5.847436 10.76564 5.601777 0.4774685      8.097680 
1 1 1 8  3  115 o 10.20878 5.312821 -0.8659608E-01 0.1226392     -0.7265427E-01 0.1778590     -0.9923299E-01 0.1693311     10.40232 5.417678 10.34298 5.386487 0.5934048E-01  7.639730 
1 1 1 8  3  116 o 9.179772 4.780440 0.9691522E-01  0.1496101     0.3724179E-01  0.2133846     0.1546126      0.2098218     9.075962 4.721827 9.164900 4.768772 -0.8893776E-01 6.710948 
1 1 1 8  3  117 o 7.531202 3.920010 -0.2471114E-01 0.1318490     0.4263340E-02  0.1884878     -0.5247299E-01 0.1845014     ?        ?        7.537330 3.915542 0.000000       3.915542 
1 1 1 8  3  118 o ?        ?        -0.5480558E-01 0.1453779     0.7653185E-01  0.1837723     -0.2744512     0.2376551     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  3  119 o ?        ?        -0.1925546     0.1162891     -0.2239518     0.1462266     -0.1385291     0.1918140     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  3  120 f ?        ?        -0.3194284     0.1214203     0.000000       0.000000      -0.3194284     0.1214203     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  3  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  3  122 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  3  123 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  0   o 87.09748 29.06335 0.6884208      0.3115296     0.000000       0.000000      0.6884208      0.3115296     87.09748 29.06335 87.09748 29.06335 0.000000       0.000000 
1 1 1 8  4  1   o 242.0179 16.25720 4.155065       0.5401360     3.918328       0.7623103     4.393746       0.7654346     231.2733 24.23068 245.8009 22.81212 -14.52768      33.27940 
1 1 1 8  4  2   o 296.8292 11.48995 6.153683       0.4709370     6.010069       0.5435756     6.585894       0.9429965     292.7243 13.44817 301.2747 22.83764 -8.550476      26.50304 
1 1 1 8  4  3   o 100.6759 11.63267 0.7171686      0.1587349     0.8631324      0.1834656     0.2825868      0.3165686     110.4363 12.23678 68.49641 25.30653 41.93984       28.10977 
1 1 1 8  4  4   o 62.67648 12.13785 0.2838096      0.1012519     0.2418902      0.1161375     0.4166160      0.2067159     57.55490 14.59294 75.04386 19.69912 -17.48896      24.51549 
1 1 1 8  4  5   o 68.88425 12.09460 0.3412381      0.1108432     0.3046566      0.1270746     0.4576233      0.2266610     64.57900 14.59400 78.52087 20.63516 -13.94187      25.27439 
1 1 1 8  4  6   o 100.2983 11.58489 0.7118238      0.1574925     0.7056932      0.1811514     0.7308035      0.3187370     99.42161 13.54818 98.57920 23.70651 0.8424072      27.30480 
1 1 1 8  4  7   o 67.88713 12.06750 0.3316162      0.1089760     0.3231060      0.1250808     0.3584278      0.2220151     66.61715 14.04043 70.20774 21.15442 -3.590591      25.38982 
1 1 1 8  4  8   o 80.28188 11.85939 0.4599142      0.1275096     0.5026150      0.1465127     0.3265900      0.2588882     83.72388 13.10293 68.78405 23.09483 14.93983       26.55293 
1 1 1 8  4  9   o 202.3789 11.40979 2.869791       0.3175454     2.882652       0.3665666     2.831123       0.6356288     202.3373 13.19232 196.2495 23.95324 6.087830       27.34584 
1 1 1 8  4  10  o 341.9991 13.32835 8.205410       0.6294181     7.960391       0.7667079     8.711837       1.102269      335.4140 16.55430 346.2133 23.19123 -10.79929      28.49347 
1 1 1 8  4  11  o 120.9289 13.40501 1.038038       0.2200728     1.170885       0.2689630     0.7689317      0.3828050     127.9534 15.54218 100.4788 27.00908 27.47463       31.16168 
1 1 1 8  4  12  o 282.9820 13.21507 5.616753       0.5163763     5.577507       0.6305472     5.696666       0.8997852     280.3853 16.35738 279.4363 23.53864 0.9490051      28.66412 
1 1 1 8  4  13  o 217.5265 11.38299 3.314176       0.3407174     3.234815       0.4789615     3.395478       0.4847857     213.2770 16.38905 218.6181 16.17406 -5.341110      23.02610 
1 1 1 8  4  14  o 135.9349 11.43499 1.299735       0.2126431     1.326411       0.2996315     1.272667       0.3018260     136.0803 16.26862 133.1017 16.79631 2.978653       23.38341 
1 1 1 8  4  15  o 144.9992 11.39208 1.477431       0.2262539     1.486239       0.3194010     1.468560       0.3205447     144.1258 16.33795 143.2032 16.51316 0.9225769      23.22957 
1 1 1 8  4  16  o 269.9017 11.37517 5.088471       0.4239373     4.966875       0.5982326     5.211135       0.6008517     264.5130 16.46051 271.1096 16.12304 -6.596588      23.04129 
1 1 1 8  4  17  o 101.0410 11.70695 0.7227551      0.1603091     0.6755093      0.2259940     0.7706057      0.2274355     96.16702 17.67010 103.1919 16.51874 -7.024834      24.18887 
1 1 1 8  4  18  o 189.7887 11.40024 2.524609       0.2973748     2.498945       0.4205317     2.550278       0.4205713     187.3268 16.42357 189.3145 16.24598 -1.987640      23.10120 
1 1 1 8  4  19  o 68.45217 12.56056 0.3379882      0.1143477     0.3863595      0.1620013     0.2899610      0.1614243     72.53812 16.54079 63.04332 17.77606 9.494793       24.28139 
1 1 1 8  4  20  o 177.1824 11.47706 2.201510       0.2792855     2.129742       0.3942393     2.273813       0.3957035     172.7610 16.73617 178.7320 16.20989 -5.970993      23.29935 
1 1 1 8  4  21  o 130.6219 11.60214 1.200907       0.2070843     1.225796       0.2918912     1.175684       0.2938415     130.7276 16.54028 127.8318 17.07373 2.895760       23.77168 
1 1 1 8  4  22  o 230.3037 11.41985 3.703420       0.3631610     3.652926       0.5116884     3.754670       0.5155073     226.8157 16.44967 230.0106 16.33741 -3.194931      23.18410 
1 1 1 8  4  23  o 211.6931 11.47916 3.138008       0.3342937     3.133483       0.4711096     3.142597       0.4744334     210.0337 16.37343 210.3055 16.46912 -0.2718048     23.22328 
1 1 1 8  4  24  o 195.3897 11.47347 2.674324       0.3081945     2.640519       0.4339024     2.708744       0.4378298     192.6889 16.46598 195.2028 16.39543 -2.513916      23.23658 
1 1 1 8  4  25  o 222.0810 11.50005 3.452227       0.3514456     3.405012       0.7006600     3.468100       0.4062466     215.7752 23.91864 222.0813 13.30903 -6.306107      27.37210 
1 1 1 8  4  26  o 173.5337 11.44617 2.110871       0.2727319     2.218297       0.3870334     2.004911       0.3843825     176.6644 16.04063 167.6393 16.83276 9.025055       23.25175 
1 1 1 8  4  27  o 119.1001 11.66040 0.9995640      0.1893027     0.8693016      0.2185873     1.390360       0.3786088     110.2984 14.71951 138.1861 20.46053 -27.88772      25.20510 
1 1 1 8  4  28  o 159.4434 11.51044 1.783169       0.2517140     1.799194       0.2912501     1.735873       0.5003693     159.7389 13.32601 153.2187 24.47414 6.520142       27.86694 
1 1 1 8  4  29  o 199.2952 11.48663 2.780397       0.3147630     2.682041       0.4428106     2.880852       0.4475110     194.2572 16.66981 201.5264 16.21909 -7.269226      23.25815 
1 1 1 8  4  30  o 132.5036 10.37352 1.229857       0.1882827     1.263937       0.2963123     1.206778       0.2438368     132.9177 16.49952 130.5424 13.73320 2.375305       21.46707 
1 1 1 8  4  31  o 192.5958 10.26471 2.589376       0.2719955     2.567437       0.4292081     2.604099       0.3516122     190.1355 16.51203 192.4299 13.31470 -2.294388      21.21152 
1 1 1 8  4  32  o 372.0666 9.545629 9.625581       0.4904143     9.880990       0.6962618     9.374110       0.6908706     375.6767 13.42210 365.8167 13.67714 9.859985       19.16290 
1 1 1 8  4  33  o 161.2165 9.373131 1.812587       0.2077559     1.796596       0.2937599     1.828589       0.2938627     159.6594 13.45005 161.1134 13.32885 -1.453995      18.93574 
1 1 1 8  4  34  o 263.0627 9.349758 4.809880       0.3396234     4.791284       0.4797787     4.828557       0.4808231     261.3260 13.34042 262.3509 13.31653 -1.024841      18.84932 
1 1 1 8  4  35  o 142.9227 10.44212 1.429476       0.2046498     1.420043       0.3253016     1.435656       0.2632768     140.8920 17.06932 142.5895 13.53389 -1.697540      21.78366 
1 1 1 8  4  36  o 130.3836 10.64251 1.191497       0.1899331     1.327280       0.3028979     1.103513       0.2438239     136.3367 16.41986 124.6461 14.43346 11.69057       21.86175 
1 1 1 8  4  37  o 233.0213 9.361360 3.773961       0.3012122     3.723603       0.4260831     3.824269       0.4258738     230.2695 13.45904 233.4265 13.26752 -3.156952      18.89902 
1 1 1 8  4  38  o 168.4738 9.429092 1.978964       0.2184707     1.861881       0.3087435     2.096383       0.3091855     162.4571 13.89700 172.6579 13.06539 -10.20071      19.07435 
1 1 1 8  4  39  o 212.1875 9.382240 3.129483       0.2748933     3.192224       0.3899123     3.067480       0.3876137     213.1829 13.31236 208.9072 13.50951 4.275635       18.96643 
1 1 1 8  4  40  o 239.4765 9.385352 3.986329       0.3103498     4.131339       0.4410874     3.844160       0.4367467     242.6458 13.21459 233.9298 13.57935 8.716034       18.94793 
1 1 1 8  4  41  o 47.75755 11.86799 0.1654281      0.7791982E-01 0.1809904      0.1103349     0.1499444      0.1100561     50.35495 14.85279 46.74524 15.02559 3.609715       21.12756 
1 1 1 8  4  42  o 60.88887 11.17650 0.2664301      0.9050549E-01 0.2553791      0.1283151     0.2773712      0.1276754     59.18560 15.51252 61.62748 15.11786 -2.441875      21.66075 
1 1 1 8  4  43  f 276.5320 9.436980 5.317566       0.3603433     5.343000       0.5117291     5.292552       0.5075020     276.1862 13.41838 274.8935 13.37012 1.292786       18.94236 
1 1 1 8  4  44  o 120.2882 9.798069 1.013377       0.1613285     0.9780195      0.2284503     1.048551       0.2278568     117.1852 14.42267 121.5387 13.82308 -4.353539      19.97726 
1 1 1 8  4  45  o 104.4106 11.05150 0.7686895      0.1569103     0.8293538      0.2025121     0.6775619      0.2482040     107.8689 13.92101 95.94147 19.40221 11.92747       23.87971 
1 1 1 8  4  46  o 153.3110 10.58335 1.646359       0.2226726     1.726580       0.2875992     1.526298       0.3518375     156.3448 13.45291 145.6511 17.86883 10.69371       22.36685 
1 1 1 8  4  47  o 111.8746 10.02507 0.8787413      0.1532236     0.9279497      0.2178604     0.8305753      0.2155401     114.0878 14.13174 107.6511 14.89958 6.436668       20.53542 
1 1 1 8  4  48  f 69.89829 11.40095 0.3499103      0.1062450     0.3053471      0.1508560     0.3937682      0.1496573     64.47710 16.78162 73.43049 15.25818 -8.953392      22.68116 
1 1 1 8  4  49  o 259.0699 8.746659 4.667973       0.3128939     4.760139       0.4772337     4.598482       0.4143890     260.0358 13.33594 256.3942 11.70475 3.641541       17.74397 
1 1 1 8  4  50  o 113.1532 9.736326 0.8987414      0.1506434     0.8484986      0.2141698     0.9479395      0.2119317     108.7926 14.62740 115.3728 13.56193 -6.580231      19.94710 
1 1 1 8  4  51  o 192.9288 8.752676 2.590181       0.2331718     2.678416       0.3104456     2.475981       0.3531822     195.2887 11.56403 187.0714 13.76946 8.217361       17.98124 
1 1 1 8  4  52  o 288.9227 8.224855 5.805255       0.3281315     5.712167       0.4636096     5.898696       0.4644877     285.5217 11.75913 290.2064 11.59122 -4.684692      16.51162 
1 1 1 8  4  53  o 133.9916 8.390590 1.254088       0.1544589     1.194118       0.2186148     1.313863       0.2182612     129.8559 12.34047 136.4304 11.69901 -6.574509      17.00453 
1 1 1 8  4  54  o 72.96712 10.28311 0.3791084      0.1007339     0.3905264      0.1342852     0.3644148      0.1523342     73.28239 13.77633 70.27724 16.05021 3.005157       21.15175 
1 1 1 8  4  55  o 66.15536 10.32139 0.3129680      0.9120683E-01 0.2984532      0.1216711     0.3315865      0.1378015     63.79347 14.18010 67.11321 15.22016 -3.319744      20.80212 
1 1 1 8  4  56  o 89.21024 10.16535 0.5632383      0.1229843     0.5966426      0.1726366     0.5288168      0.1752449     90.84689 14.22925 85.07362 15.48870 5.773270       21.03263 
1 1 1 8  4  57  o 72.45574 9.838326 0.3732291      0.9588555E-01 0.4013759      0.1434222     0.3504806      0.1289368     74.08665 14.53888 69.24905 13.96617 4.837601       20.16018 
1 1 1 8  4  58  o 92.12746 9.145731 0.5977268      0.1148068     0.6318907      0.1631766     0.5642374      0.1615582     93.87027 12.93235 88.41471 13.67460 5.455559       18.82127 
1 1 1 8  4  59  o 126.7640 9.369690 1.127623       0.1628436     1.280705       0.2528574     1.019137       0.2128634     133.9169 13.87556 119.5382 13.11125 14.37867       19.09021 
1 1 1 8  4  60  o 230.5212 9.636704 3.712367       0.3067449     3.726799       0.4347922     3.698066       0.4328201     229.1767 13.80399 228.2925 13.79503 0.8842621      19.51545 
1 1 1 8  4  61  o 79.60164 10.53259 0.4511048      0.1129266     0.4801961      0.1482400     0.4108796      0.1743144     81.39090 13.67518 74.30928 17.31015 7.081619       22.06018 
1 1 1 8  4  62  o 184.5456 8.369665 2.372927       0.2132798     2.466048       0.3023855     2.280739       0.3008667     186.9527 11.77377 179.6189 12.20303 7.333786       16.95687 
1 1 1 8  4  63  f 206.4501 8.334249 2.969852       0.2375853     2.931570       0.3360077     3.008129       0.3359850     203.7861 11.99377 206.4992 11.83251 -2.713074      16.84811 
1 1 1 8  4  64  o 130.5751 8.711009 1.194314       0.1561591     1.311590       0.2218034     1.079049       0.2198936     136.0389 11.92819 122.9373 13.15790 13.10155       17.75985 
1 1 1 8  4  65  o 247.2435 8.346068 4.260603       0.2849343     4.229798       0.4031213     4.291358       0.4027949     245.1540 11.90855 246.9696 11.81143 -1.815613      16.77270 
1 1 1 8  4  66  o 93.63409 9.747156 0.6195912      0.1241758     0.6581312      0.1765520     0.5818623      0.1746850     95.48494 13.79021 89.42452 14.65467 6.060417       20.12286 
1 1 1 8  4  67  o 178.6356 8.519476 2.225471       0.2101449     2.357414       0.2977805     2.094569       0.2966025     182.6325 11.87258 171.8584 12.58629 10.77417       17.30239 
1 1 1 8  4  68  o 127.7129 9.726238 1.147445       0.1702318     1.205235       0.2248084     1.069770       0.2606328     130.0845 12.67660 121.4025 15.93228 8.682030       20.36010 
1 1 1 8  4  69  o 249.2991 9.837454 4.350184       0.3386424     4.435128       0.4806818     4.266479       0.4771630     249.6248 14.00195 244.7249 14.18131 4.899902       19.92898 
1 1 1 8  4  70  o 150.7890 10.30718 1.601098       0.2133225     1.740230       0.3765765     1.535353       0.2588625     154.2722 18.01717 146.8371 12.89791 7.435104       22.15795 
1 1 1 8  4  71  o 224.4857 9.752428 3.528670       0.3023009     3.513357       0.4289846     3.543777       0.4260665     221.9188 14.07222 222.9641 13.90836 -1.045212      19.78560 
1 1 1 8  4  72  o 162.6228 9.356991 1.856443       0.2092281     1.835922       0.2786641     1.882961       0.3167721     160.6277 12.66663 162.0318 14.30510 -1.404114      19.10705 
1 1 1 8  4  73  o 136.1587 9.052390 1.302335       0.1692252     1.328796       0.2383740     1.275450       0.2402785     136.3886 12.80735 133.4579 13.21222 2.930756       18.40084 
1 1 1 8  4  74  o 78.06901 11.24869 0.4380039      0.1177602     0.5446954      0.1663117     0.3307298      0.1667652     86.25381 14.47682 66.29070 17.83003 19.96310       22.96711 
1 1 1 8  4  75  o 84.93354 10.68873 0.5157735      0.1225790     0.5035118      0.1722646     0.5283503      0.1744622     82.36133 15.72077 84.48128 15.52776 -2.119949      22.09647 
1 1 1 8  4  76  o 102.4553 9.968074 0.7453374      0.1392353     0.8251390      0.1962349     0.6644308      0.1975889     106.6312 13.64027 94.78647 15.64227 11.84478       20.75422 
1 1 1 8  4  77  o 65.19473 13.48582 0.3151110      0.1173970     0.4454292      0.1572628     0.1510808      0.1764352     77.21329 15.29104 50.13905 18.81929 27.07425       24.24833 
1 1 1 8  4  78  o 180.0649 10.10705 2.299033       0.2502834     2.386956       0.3500609     2.207088       0.3579803     181.2747 14.09604 173.6579 15.07853 7.616791       20.64123 
1 1 1 8  4  79  o 180.9037 9.479706 2.317673       0.2359754     2.387315       0.3549688     2.262526       0.3158800     180.7414 14.34090 176.7776 13.03258 3.963760       19.37807 
1 1 1 8  4  80  o 90.17714 11.65525 0.5915008      0.1417334     0.7814837      0.2172349     0.4506865      0.1870233     101.8027 15.97992 75.97781 18.08718 25.82491       24.13511 
1 1 1 8  4  81  o 141.4044 11.17310 1.442073       0.2163827     1.607340       0.3015460     1.266640       0.3106812     146.8459 15.08590 128.2211 18.04700 18.62479       23.52188 
1 1 1 8  4  82  o 139.4788 10.50708 1.400682       0.2008755     1.551368       0.2626105     1.188182       0.3118567     145.1178 13.25171 122.9311 18.98342 22.18664       23.15119 
1 1 1 8  4  83  o 108.0962 10.31499 0.8449955      0.1520949     0.8735281      0.2159094     0.8168896      0.2142891     107.3629 14.97134 103.4705 15.47356 3.892410       21.53073 
1 1 1 8  4  84  o 65.15312 12.96980 0.3215095      0.1125805     0.4311646      0.1618062     0.2186130      0.1567404     74.09529 16.26119 53.44487 17.96992 20.65042       24.23519 
1 1 1 8  4  85  o 85.93837 11.25417 0.5439231      0.1303390     0.4877830      0.1859967     0.5980917      0.1827017     77.94540 17.68682 87.80800 15.64197 -9.862602      23.61133 
1 1 1 8  4  86  o 116.0477 10.10900 0.9767080      0.1603699     1.117473       0.2290240     0.8412868      0.2246344     121.7191 13.87442 103.8980 16.18494 17.82111       21.31788 
1 1 1 8  4  87  o 39.73686 13.65053 0.1119076      0.9048449E-01 0.7140757E-01  0.1305067     0.1493987      0.1255651     38.97432 15.72490 45.51881 16.05261 -6.544483      22.47129 
1 1 1 8  4  88  o 38.11759 14.05186 0.9371529E-01  0.9750374E-01 -0.6754123E-01 0.1394904     0.2477826      0.1363456     31.33188 14.34062 55.76538 16.52736 -24.43350      21.88167 
1 1 1 8  4  89  o 39.95640 14.71335 0.1051014      0.1068577     0.1818952      0.1439360     0.1080360E-01  0.1594986     49.21676 17.19887 37.67008 16.39478 11.54668       23.76110 
1 1 1 8  4  90  o 83.79553 16.71717 0.5598973      0.1866483     0.9392101      0.3241511     0.3717561      0.2282920     103.2067 23.29799 65.86521 21.67390 37.34145       31.82066 
1 1 1 8  4  91  o 79.23079 16.80798 0.5023101      0.1781887     0.1480543      0.3124538     0.6730555      0.2169211     54.75832 23.37638 91.29879 17.84643 -36.54047      29.41004 
1 1 1 8  4  92  o 159.8553 11.20265 1.872314       0.2457156     1.792192       0.3442427     1.955537       0.3508400     151.1652 16.77493 158.5088 16.25962 -7.343552      23.36179 
1 1 1 8  4  93  o 131.5893 11.11936 1.271095       0.2001488     1.344126       0.2988982     1.211729       0.2694873     130.4387 16.99905 124.6322 16.03085 5.806503       23.36569 
1 1 1 8  4  94  o 130.5479 11.20083 1.254594       0.1999547     1.412721       0.2977448     1.124694       0.2698638     134.0427 16.43058 119.0773 16.88561 14.96534       23.56030 
1 1 1 8  4  95  o 114.6869 11.50457 0.9764726      0.1797331     1.029669       0.2682762     0.9331515      0.2420971     112.6462 17.84209 108.0844 16.76442 4.561806       24.48236 
1 1 1 8  4  96  o 51.27322 15.56807 0.2107765      0.1199034     0.3608584      0.1778370     0.8568618E-01  0.1623566     65.00964 18.76619 41.97559 17.31053 23.03405       25.53086 
1 1 1 8  4  97  o 29.07768 12.70943 -0.1864896E-02 0.9676009E-01 0.1179683E-01  0.1438037     -0.1316720E-01 0.1307979     35.42049 15.48756 32.58437 14.48616 2.836121       21.20645 
1 1 1 8  4  98  o 53.96508 16.14750 0.2454273      0.1296895     0.2043185      0.1847700     0.2853464      0.1820769     50.21153 19.16350 56.58868 19.36624 -6.377148      27.24502 
1 1 1 8  4  99  o 60.57556 17.39074 0.3263696      0.1531003     0.5367438      0.2398855     0.1817851      0.1988698     73.06306 21.98360 48.14799 19.41656 24.91507       29.33056 
1 1 1 8  4  100 o 93.14520 14.46386 0.7210090      0.1799959     1.175777       0.3059757     0.4803492      0.2225838     110.0675 20.89640 68.02330 21.31068 42.04418       29.84635 
1 1 1 8  4  101 o 94.04946 14.66039 0.7562762      0.1841813     0.8608299      0.2572514     0.6463184      0.2638160     91.81293 20.77647 74.32574 23.18693 17.48719       31.13351 
1 1 1 8  4  102 o 111.1558 12.58453 1.029771       0.1897526     1.078516       0.2496374     0.9630692      0.2920209     105.6405 17.74260 89.28516 23.40199 16.35529       29.36755 
1 1 1 8  4  103 o 65.01690 16.53908 0.4274010      0.1488349     0.5238028      0.1956509     0.2949886      0.2292998     66.54369 19.81558 47.38266 20.12157 19.16103       28.24066 
1 1 1 8  4  104 o 43.80605 16.17403 0.2198016      0.1292706     0.1540274      0.1694021     0.3115028      0.2000221     38.08400 16.72676 46.03104 19.11764 -7.947033      25.40213 
1 1 1 8  4  105 o 51.39756 16.80769 0.3446921      0.1373672     0.4396485      0.1805521     0.2141827      0.2116711     51.96510 19.12689 37.13673 17.23523 14.82836       25.74667 
1 1 1 8  4  106 o 23.35122 11.18674 -0.2404777E-01 0.1031208     -0.2227926E-01 0.1357404     -0.2646142E-01 0.1585781     25.36981 12.31973 26.23796 12.86469 -0.8681545     17.81224 
1 1 1 8  4  107 o 24.39726 11.61020 0.3529218E-01  0.1072095     0.6809671E-01  0.1411671     -0.9412496E-02 0.1647947     26.22652 12.69497 24.63385 12.26230 1.592676       17.65010 
1 1 1 8  4  108 o 25.05548 12.08667 0.1249102      0.1252744     0.1371514      0.1510413     0.9792797E-01  0.2242456     24.85739 12.25950 23.67132 12.06900 1.186071       17.20338 
1 1 1 8  4  109 o 17.61583 8.931811 -0.5483495E-01 0.1109178     -0.7053690E-01 0.1703150     -0.4327051E-01 0.1461633     18.64500 9.577229 18.58697 9.499131 0.5802536E-01  13.48914 
1 1 1 8  4  110 o 16.30446 8.395692 -0.1608718E-01 0.1461728     -0.7381041E-01 0.1779171     0.1037942      0.2564001     16.12407 8.346908 17.02007 8.840025 -0.8959942     12.15800 
1 1 1 8  4  111 o 13.62440 7.040431 -0.6518208E-01 0.1212875     -0.1610900     0.1687255     0.3736956E-01  0.1744716     13.58859 7.059854 14.41108 7.481127 -0.8224888     10.28634 
1 1 1 8  4  112 o 12.75460 6.623648 0.8612721E-01  0.1418213     0.1172362      0.1998076     0.5454157E-01  0.2013324     12.69018 6.605196 12.55141 6.534152 0.1387682      9.291058 
1 1 1 8  4  113 o 9.755569 5.070263 -0.2038724     0.9054888E-01 -0.1470912E-01 0.1253064     -0.4105965     0.1309937     10.94268 5.691184 9.832911 5.119613 1.109766       7.655065 
1 1 1 8  4  114 o 9.580411 4.988791 0.7672766E-02  0.1309739     -0.2465117E-01 0.1839706     0.4089366E-01  0.1865056     9.553236 4.974411 9.627102 5.012909 -0.7386589E-01 7.062154 
1 1 1 8  4  115 o 8.103658 4.219662 0.2188749E-01  0.1310127     0.3095154      0.1852994     -0.2656198     0.1852605     8.300798 4.317510 7.911585 4.112539 0.3892136      5.962706 
1 1 1 8  4  116 o 6.714871 3.493303 -0.6590012E-01 0.1181553     0.9881393E-02  0.1671769     -0.1415367     0.1670169     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  4  117 o ?        ?        -0.6499591E-02 0.1458292     -0.1165152E-01 0.1787966     0.3737823E-02  0.2520400     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  4  118 o ?        ?        -0.1957370     0.1361659     -0.2501515     0.1930596     -0.1418737     0.1920794     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  4  119 o ?        ?        -0.1994282     0.1889071     0.000000       0.000000      -0.1994282     0.1889071     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  4  120 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  121 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  5  0   o 68.23782 27.76531 0.4585508      0.2568283     0.000000       0.000000      0.4585508      0.2568283     68.23782 27.76531 68.23782 27.76531 0.000000       0.000000 
1 1 1 8  5  1   o 67.83820 16.89259 0.3380847      0.1576327     0.2465230      0.2215156     0.4320166      0.2243644     61.35946 21.34218 76.41040 20.73571 -15.05094      29.75665 
1 1 1 8  5  2   o 118.0000 16.82046 1.002974       0.2663104     0.5669693      0.3720931     1.460860       0.3813159     87.70660 27.56590 141.7756 20.03628 -54.06903      34.07832 
1 1 1 8  5  3   o 209.7882 13.23678 3.096187       0.3814774     2.920344       0.4664315     3.451435       0.6629636     202.5569 16.82879 217.9458 22.34537 -15.38885      27.97363 
1 1 1 8  5  4   o 140.0681 13.27370 1.386805       0.2536615     1.437564       0.3106109     1.285168       0.4395236     141.8597 16.14452 130.9827 25.21640 10.87698       29.94182 
1 1 1 8  5  5   f 162.1236 13.25337 1.853801       0.2941007     1.999760       0.3606980     1.564295       0.5079928     167.7141 15.76015 144.3313 26.46465 23.38280       30.80195 
1 1 1 8  5  6   o 269.1344 13.13273 5.075037       0.4880476     4.835299       0.5938304     5.574002       0.8566984     261.0943 16.55695 277.3344 22.56675 -16.24008      27.98911 
1 1 1 8  5  7   o 184.9628 13.19698 2.408825       0.3348401     2.506045       0.4095282     2.212766       0.5815695     187.8542 15.93830 172.9245 25.08851 14.92972       29.72310 
1 1 1 8  5  8   o 107.5465 13.69516 0.8237314      0.1987621     0.9424710      0.2432412     0.5851253      0.3448100     114.6176 15.78808 88.58086 26.28972 26.03670       30.66615 
1 1 1 8  5  9   o 85.76843 14.07347 0.5292475      0.1608909     0.6148676      0.1963387     0.3542214      0.2807173     92.12215 16.01633 71.58250 24.04872 20.53965       28.89401 
1 1 1 8  5  10  o 198.0285 16.28905 2.785899       0.4414624     2.599522       0.6172052     2.981129       0.6316909     188.0386 24.34218 202.1526 23.04185 -14.11397      33.51818 
1 1 1 8  5  11  o 129.0519 16.61320 1.194597       0.2891691     1.301489       0.4055809     1.084081       0.4123981     132.7071 22.96460 119.9614 25.67198 12.74571       34.44450 
1 1 1 8  5  12  o 191.3647 16.29160 2.602351       0.4263932     2.866522       0.6009619     2.334545       0.6050812     198.5433 22.30674 177.6183 25.39388 20.92497       33.80000 
1 1 1 8  5  13  o 218.4887 16.28667 3.386771       0.4878297     3.163422       0.6830335     3.619328       0.6969681     207.7696 24.26505 223.0428 22.95805 -15.27321      33.40456 
1 1 1 8  5  14  o 188.0903 13.24864 2.490189       0.3418942     2.517199       0.5873662     2.476348       0.4204662     185.4482 23.46251 186.5934 16.48881 -1.145203      28.67699 
1 1 1 8  5  15  o 150.6149 13.29214 1.601015       0.2736042     1.677562       0.4719529     1.562266       0.3357888     150.9434 23.40119 147.8306 16.74527 3.112747       28.77534 
1 1 1 8  5  16  o 142.7997 16.56933 1.457654       0.3206437     0.000000       0.000000      1.457654       0.3206437     ?        ?        142.7997 16.56933 0.000000       16.56933 
1 1 1 8  5  17  o 80.71515 17.47919 0.4779412      0.1891709     0.000000       0.000000      0.4779412      0.1891709     ?        ?        80.71515 17.47919 0.000000       17.47919 
1 1 1 8  5  18  o 200.5753 16.24842 2.854379       0.4461475     3.121861       0.6363113     2.595729       0.6257179     207.3190 22.59339 187.9309 24.71168 19.38812       33.48326 
1 1 1 8  5  19  o 87.39162 13.96533 0.5482386      0.1628491     0.5408553      0.1997440     0.5628753      0.2812331     86.00094 17.41741 86.90160 23.05656 -0.9006577     28.89586 
1 1 1 8  5  20  f 215.3368 13.19253 3.257472       0.3903783     3.337222       0.4789267     3.099583       0.6738732     217.0671 16.09315 205.9435 24.15573 11.12367       29.02565 
1 1 1 8  5  21  f 142.3736 11.51342 1.423055       0.2244080     1.360903       0.3164994     1.485888       0.3182293     137.8699 16.98426 144.3531 16.24770 -6.483215      23.50432 
1 1 1 8  5  22  f 114.0378 11.74177 0.9168277      0.1822498     0.8983979      0.2568517     0.9355147      0.2586378     111.5703 17.22712 113.9720 16.95056 -2.401627      24.16806 
1 1 1 8  5  23  o 75.72729 12.55547 0.4110485      0.1266884     0.4149252      0.1778932     0.4070588      0.1804633     75.18076 17.46912 74.42451 17.80020 0.7562561      24.94027 
1 1 1 8  5  24  o 93.78718 12.08351 0.6239059      0.1528460     0.5677501      0.2157444     0.6804932      0.2165717     87.99860 18.34950 96.92822 16.78947 -8.929626      24.87148 
1 1 1 8  5  25  o 215.7205 11.48325 3.254338       0.3408222     3.370541       0.4838347     3.139884       0.4801767     218.2031 16.17339 210.4050 16.66381 7.798080       23.22200 
1 1 1 8  5  26  o 217.4324 11.50252 3.306063       0.3441183     3.142542       0.4854934     3.471163       0.4878287     210.4393 16.84907 221.4990 16.05898 -11.05965      23.27621 
1 1 1 8  5  27  o 158.4115 11.57634 1.759332       0.2514653     1.737023       0.3549116     1.781821       0.3563439     156.1209 16.72370 158.1902 16.55906 -2.069260      23.53475 
1 1 1 8  5  28  o 207.2795 11.54102 3.005433       0.3290130     3.025767       0.4639597     2.984862       0.4666413     206.6308 16.39569 205.1490 16.61584 1.481781       23.34319 
1 1 1 8  5  29  o 92.80299 12.29593 0.6115636      0.1536857     0.5177892      0.2151958     0.7091789      0.2195586     83.85991 19.02134 99.04568 16.64411 -15.18578      25.27524 
1 1 1 8  5  30  o 295.0165 11.58518 6.070407       0.4719401     5.978536       0.6640545     6.164168       0.6708454     290.7849 16.60730 295.3159 16.51741 -4.531036      23.42279 
1 1 1 8  5  31  o 165.3009 11.64851 1.915165       0.2641779     2.020932       0.3735350     1.809319       0.3736730     168.6694 16.23892 159.2126 17.27428 9.456848       23.70872 
1 1 1 8  5  32  o 140.9491 10.44455 1.390463       0.2018313     1.536893       0.3208096     1.294536       0.2596571     146.9310 16.07454 135.2033 14.11650 11.72774       21.39314 
1 1 1 8  5  33  o 100.3535 9.854271 0.7070577      0.1347897     0.6883702      0.1905838     0.7257600      0.1906590     98.05653 14.51420 100.8367 14.07692 -2.780197      20.21934 
1 1 1 8  5  34  o 100.4624 9.734107 0.7083572      0.1333385     0.7179657      0.1885614     0.6987471      0.1885767     100.2948 13.99706 98.86697 14.22275 1.427795       19.95506 
1 1 1 8  5  35  f 121.6059 9.575377 1.034531       0.1594853     1.042804       0.2252652     1.026216       0.2258284     121.2767 13.69143 120.2599 13.85260 1.016769       19.47690 
1 1 1 8  5  36  o 329.5056 9.494285 7.549635       0.4319794     7.641366       0.6115351     7.458279       0.6102892     330.3387 13.40677 326.3098 13.54464 4.028839       19.05777 
1 1 1 8  5  37  o 219.1542 9.405787 3.339615       0.2846315     3.263977       0.4014080     3.416104       0.4036609     215.4296 13.56331 220.4810 13.32146 -5.051361      19.01117 
1 1 1 8  5  38  o 177.5332 9.454482 2.198103       0.2309339     2.260155       0.3263362     2.135859       0.3268442     179.1656 13.28549 174.0315 13.71220 5.134048       19.09264 
1 1 1 8  5  39  f 137.3112 9.559285 1.317976       0.1801160     1.332035       0.2541523     1.303790       0.2552965     137.1926 13.59505 135.6609 13.82169 1.531647       19.38723 
1 1 1 8  5  40  o 173.0491 10.48102 2.094761       0.2492631     1.887946       0.3188946     2.419568       0.3996390     163.3245 14.28393 184.5591 15.83510 -21.23462      21.32560 
1 1 1 8  5  41  o 56.62915 12.43457 0.2330183      0.9456930E-01 0.2898710      0.1182130     0.1319535      0.1576121     63.05371 13.94722 48.25973 17.85112 14.79398       22.65364 
1 1 1 8  5  42  f 211.5352 9.413687 3.114499       0.2749669     2.944934       0.3873072     3.286816       0.3904356     204.3092 13.80980 216.1029 13.14680 -11.79375      19.06696 
1 1 1 8  5  43  o 257.4021 9.453008 4.612990       0.3359852     4.760792       0.4769686     4.467416       0.4733615     260.0980 13.32525 251.8120 13.66493 8.285965       19.08645 
1 1 1 8  5  44  f 130.8472 10.73565 1.202977       0.1922594     1.019883       0.3039712     1.325063       0.2482153     118.0595 19.31439 136.7547 13.31344 -18.69519      23.45833 
1 1 1 8  5  45  o 201.9259 10.43575 2.853124       0.2899793     3.038369       0.4616484     2.732403       0.3726754     206.4498 16.32740 196.6112 13.81500 9.838684       21.38781 
1 1 1 8  5  46  o 322.4164 10.47298 7.258523       0.4662568     6.925817       0.6017604     7.758307       0.7375379     313.6036 13.89648 330.7827 16.14743 -17.17914      21.30379 
1 1 1 8  5  47  o 153.2355 10.64595 1.648476       0.2238607     1.652594       0.2919980     1.642605       0.3486583     152.5099 14.02284 151.0543 17.01201 1.455643       22.04651 
1 1 1 8  5  48  o 208.0728 9.532881 3.019328       0.2738908     3.052318       0.3882245     2.986637       0.3864616     207.7131 13.61098 205.4227 13.70311 2.290344       19.31409 
1 1 1 8  5  49  o 72.27444 12.50993 0.3770591      0.1203266     0.5648142      0.1547230     0.8972298E-01  0.1914054     88.70476 13.01938 47.82448 19.13211 40.88028       23.14178 
1 1 1 8  5  50  o 182.6391 11.87436 2.350523       0.2978356     2.140958       0.4154434     2.572127       0.4272093     172.1357 17.73224 189.3587 16.50370 -17.22293      24.22404 
1 1 1 8  5  51  o 181.2924 10.50679 2.306528       0.2618915     2.406197       0.4097876     2.237712       0.3405030     183.1091 16.38031 177.4451 14.01091 5.664047       21.55506 
1 1 1 8  5  52  o 142.1545 10.68016 1.422177       0.2081088     1.403525       0.3237475     1.435311       0.2716740     139.1503 17.21682 141.8436 14.05581 -2.693237      22.22577 
1 1 1 8  5  53  o 76.63059 11.13579 0.4198030      0.1143828     0.4198015      0.1605982     0.4198046      0.1629508     75.47390 15.91143 75.42529 16.13399 0.4861450E-01  22.66008 
1 1 1 8  5  54  o 86.59435 12.23606 0.5371650      0.1422331     0.4834032      0.2335631     0.5688542      0.1793172     80.04908 20.90379 88.34247 15.25116 -8.293388      25.87598 
1 1 1 8  5  55  o 257.1742 10.59464 4.630985       0.3762283     4.866673       0.6037334     4.481347       0.4810571     260.3668 16.88379 251.3610 13.91411 9.005829       21.87841 
1 1 1 8  5  56  o 53.64769 14.11262 0.2110887      0.1059484     0.2934998      0.1795905     0.1670957      0.1312146     63.28548 19.01661 49.43911 16.43959 13.84637       25.13745 
1 1 1 8  5  57  o 85.79412 11.17894 0.5246256      0.1292870     0.6095522      0.1823544     0.4387894      0.1833284     91.56958 14.93709 76.74742 17.66541 14.82216       23.13403 
1 1 1 8  5  58  o 144.6313 10.05546 1.470105       0.1995692     1.489771       0.2815641     1.450251       0.2829077     144.3182 14.31821 142.2743 14.60792 2.043823       20.45489 
1 1 1 8  5  59  o 155.4185 9.133193 1.691781       0.1951419     1.649251       0.2561599     1.750594       0.3012305     152.5778 12.26212 156.6035 14.08080 -4.025711      18.67159 
1 1 1 8  5  60  o 72.23881 10.65816 0.3732616      0.1031204     0.3798354      0.1330540     0.3633735      0.1631835     72.11023 13.86626 69.85162 17.06450 2.258614       21.98796 
1 1 1 8  5  61  o 102.8280 8.903275 0.7432234      0.1251677     0.7166282      0.1764668     0.7701508      0.1775661     99.92791 13.10498 103.7757 12.65359 -3.847748      18.21686 
1 1 1 8  5  62  o 79.66365 10.09102 0.4510437      0.1085139     0.5806412      0.1528126     0.3192203      0.1541194     89.89880 12.66099 65.50263 16.92020 24.39617       21.13277 
1 1 1 8  5  63  o 138.1264 8.732537 1.336317       0.1656967     1.412451       0.2339472     1.259682       0.2347155     141.1094 12.12446 132.9500 12.94982 8.159409       17.73980 
1 1 1 8  5  64  o 200.8950 9.064552 2.818546       0.2514511     2.804482       0.3314104     2.837626       0.3860135     199.1617 12.10844 199.5109 14.10279 -0.3491516     18.58771 
1 1 1 8  5  65  o 173.0685 10.08300 2.104563       0.2399165     2.000978       0.3400474     2.207234       0.3385440     167.0337 14.89982 175.8387 14.06082 -8.804916      20.48686 
1 1 1 8  5  66  o 178.6129 9.304903 2.235836       0.2286955     1.908614       0.3517489     2.475446       0.3009978     162.6610 15.86257 187.1728 11.70496 -24.51175      19.71363 
1 1 1 8  5  67  o 170.0580 9.213996 2.027320       0.2155557     2.069318       0.3277690     1.995313       0.2861380     170.1265 14.07922 167.6670 12.44803 2.459503       18.79302 
1 1 1 8  5  68  o 104.0721 10.42377 0.7672893      0.1477810     0.8894727      0.2128064     0.6534858      0.2053792     110.9990 14.21068 94.18726 16.38672 16.81177       21.69027 
1 1 1 8  5  69  o 65.33777 11.80020 0.3098504      0.1025435     0.3490610      0.1403437     0.2649429      0.1501936     68.60717 15.21328 59.80592 17.24090 8.801250       22.99331 
1 1 1 8  5  70  o 71.44420 11.12060 0.3675113      0.1061379     0.3562531      0.1502549     0.3787235      0.1499489     69.08421 16.05641 71.35439 15.64963 -2.270187      22.42140 
1 1 1 8  5  71  o 227.9446 8.543304 3.632635       0.2689015     3.757585       0.3820257     3.509937       0.3785662     230.1175 12.06481 222.2223 12.38644 7.895218       17.29114 
1 1 1 8  5  72  o 88.00811 9.955822 0.5510485      0.1188590     0.5642238      0.1691763     0.5382057      0.1670283     87.69821 14.47556 85.54449 14.66832 2.153717       20.60828 
1 1 1 8  5  73  o 136.6991 9.751326 1.320954       0.1828561     1.282484       0.2434916     1.370710       0.2769160     133.3162 13.40895 137.2121 14.85269 -3.895935      20.01005 
1 1 1 8  5  74  o 68.38530 12.63597 0.3437124      0.1149237     0.3452354      0.1598773     0.3420841      0.1653123     67.31645 17.15121 66.92480 17.63950 0.3916550      24.60317 
1 1 1 8  5  75  o 55.62688 13.64381 0.2315871      0.1040033     0.2729844      0.1540783     0.1969384      0.1409611     59.94862 17.51477 52.10567 17.02550 7.842949       24.42610 
1 1 1 8  5  76  o 51.66867 13.04250 0.1997261      0.9306171E-01 0.2952150      0.1333230     0.1089942      0.1299597     62.27768 15.55083 42.99016 16.14853 19.28752       22.41882 
1 1 1 8  5  77  o 134.7218 10.11156 1.296496       0.1867301     1.272624       0.2882797     1.313752       0.2450969     130.0356 16.42124 133.9464 13.43260 -3.910782      21.21537 
1 1 1 8  5  78  o 63.65174 14.60969 0.3090082      0.1256888     0.3527825      0.1700729     0.2563286      0.1865721     66.93750 18.00683 58.13787 19.60526 8.799633       26.61977 
1 1 1 8  5  79  o 95.64029 11.81633 0.6701257      0.1527306     0.6273748      0.1970466     0.7344602      0.2417234     90.18468 16.42863 96.24725 18.86278 -6.062561      25.01408 
1 1 1 8  5  80  o 65.14539 12.54026 0.3187694      0.1087111     0.3694640      0.1566395     0.2716611      0.1509971     68.47052 16.71380 58.72726 17.38987 9.743256       24.11967 
1 1 1 8  5  81  o 29.02240 12.12238 0.1888064E-01  0.8107805E-01 0.5207611E-01  0.1180605     -0.1074954E-01 0.1115404     36.44736 14.86428 31.07244 13.61178 5.374922       20.15508 
1 1 1 8  5  82  o 39.17558 13.52612 0.1070403      0.8889731E-01 0.2164781      0.1289406     0.7892900E-02  0.1227288     52.74052 16.17040 33.67999 14.51922 19.06054       21.73223 
1 1 1 8  5  83  o 50.63618 14.40902 0.1984636      0.1055623     0.3112653      0.1517459     0.9268662E-01  0.1469450     62.25230 17.11953 42.06740 16.78589 20.18490       23.97592 
1 1 1 8  5  84  o 73.42692 12.58229 0.4068095      0.1229813     0.4088904      0.1757517     0.4048129      0.1721478     70.83110 17.94771 70.60817 17.69258 0.2229309      25.20214 
1 1 1 8  5  85  o 77.11823 12.56472 0.4484091      0.1291901     0.6229648      0.1844275     0.2802347      0.1810250     89.39102 15.50350 58.71697 19.29913 30.67405       24.75510 
1 1 1 8  5  86  o 82.76382 12.94714 0.5181029      0.1431137     0.5903018      0.1908700     0.4253908      0.2162922     86.17233 16.64357 70.51814 20.79434 15.65420       26.63480 
1 1 1 8  5  87  o 166.3643 12.45719 2.055273       0.2840889     2.569582       0.4698186     1.758835       0.3566850     177.6035 19.47717 148.6888 17.72189 28.91473       26.33298 
1 1 1 8  5  88  o 39.94149 15.87825 0.8392716E-01  0.1310333     0.1834787E-01  0.3687572     0.9340413E-01  0.1401819     52.69509 23.80129 41.43026 16.43799 11.26483       28.92592 
1 1 1 8  5  89  o 106.6989 13.52650 0.8608644      0.1948141     0.7506563      0.3022909     0.9391517      0.2547793     91.58366 23.71612 108.4286 17.62207 -16.84497      29.54644 
1 1 1 8  5  90  o 110.8059 12.37801 0.9157566      0.1861515     0.7891339      0.2624451     1.043960       0.2640785     97.06046 20.23761 114.6818 17.20730 -17.62137      26.56411 
1 1 1 8  5  91  o 115.4099 11.61881 0.9858018      0.1826406     1.176117       0.2744920     0.8346057      0.2446601     122.0450 16.72835 101.4763 18.12575 20.56871       24.66537 
1 1 1 8  5  92  o 130.9335 11.00598 1.261590       0.1971378     1.437616       0.2982171     1.124963       0.2627322     135.0913 16.31760 119.3163 16.37901 15.77507       23.12004 
1 1 1 8  5  93  o 52.74932 15.75900 0.2233340      0.1235956     0.2947434      0.1861973     0.1670865      0.1652523     59.08950 19.58021 48.18911 18.18703 10.90039       26.72363 
1 1 1 8  5  94  o 100.9580 11.85328 0.7687914      0.1620967     0.7253913      0.2464753     0.8018692      0.2151776     91.23104 20.10738 99.72011 16.18167 -8.489067      25.80994 
1 1 1 8  5  95  o 34.73995 13.82449 0.6506968E-01  0.9942178E-01 0.7160512E-01  0.1368445     0.5776329E-01  0.1446906     38.49003 15.88490 38.17812 16.08527 0.3119087      22.60677 
1 1 1 8  5  96  o 50.08293 15.84305 0.2106244      0.1227321     0.3893751      0.1757489     0.4047387E-01  0.1714689     65.74829 18.55126 38.78812 16.93721 26.96017       25.12008 
1 1 1 8  5  97  o 75.44636 14.12756 0.4675602      0.1417692     0.6328183      0.2161164     0.3427307      0.1878301     82.54208 19.30574 59.71899 19.65998 22.82309       27.55407 
1 1 1 8  5  98  o 128.5799 12.62756 1.326403       0.2213049     1.500277       0.3107804     1.147536       0.3152114     128.2063 18.05536 105.2865 22.37155 22.91978       28.74860 
1 1 1 8  5  99  o 46.17651 16.63542 0.1989075      0.1355351     0.2545295      0.1911154     0.1426286      0.1922407     49.65572 19.34626 42.74458 18.29413 6.911144       26.62617 
1 1 1 8  5  100 o 77.73447 14.98860 0.5525923      0.1550522     0.6273064      0.2050194     0.4527570      0.2369933     76.12487 19.43675 58.06409 21.80777 18.06078       29.21243 
1 1 1 8  5  101 o 32.44121 13.89905 0.6897379E-01  0.1111768     -0.3565342E-01 0.1477323     0.2056122      0.1688261     29.44110 13.89671 42.45239 17.59189 -13.01129      22.41858 
1 1 1 8  5  102 o 37.33595 15.05570 0.1520611      0.1195649     0.2379240      0.1587863     0.3962708E-01  0.1817017     42.15819 17.22101 32.41062 15.33307 9.747570       23.05789 
1 1 1 8  5  103 o 30.64844 13.45718 0.8866843E-01  0.1095800     0.1369294      0.1461145     0.2663385E-01  0.1656580     33.53533 15.07986 29.35815 14.09462 4.177179       20.64123 
1 1 1 8  5  104 o 29.09379 13.03826 0.9771158E-01  0.1082278     -0.1985931E-01 0.1437890     0.2513756      0.1643849     25.17153 12.32253 35.15815 15.88477 -9.986626      20.10399 
1 1 1 8  5  105 o 21.65418 10.46589 -0.3168373E-02 0.9503920E-01 0.7255002E-01  0.1301129     -0.8977480E-01 0.1391536     25.34680 12.24944 21.40072 10.74338 3.946079       16.29321 
1 1 1 8  5  106 o 25.07637 11.99159 0.1497781      0.1173156     0.1005135      0.1741326     0.1907237      0.1587509     22.75952 11.49978 24.69408 12.24896 -1.934553      16.80125 
1 1 1 8  5  107 o 20.88694 10.42866 0.1470979      0.1230255     -0.9280521E-01 0.2018313     0.2889307      0.1551882     17.99887 9.293427 22.39798 11.25784 -4.399109      14.59818 
1 1 1 8  5  108 o 12.77748 6.566580 -0.1472750     0.8141251E-01 -0.1929306     0.1336813     -0.1203593     0.1026424     14.22060 7.350106 14.00833 7.204270 0.2122726      10.29202 
1 1 1 8  5  109 o 13.15986 6.790102 -0.3645455E-01 0.1042037     -0.1057192     0.1607066     0.1379223E-01  0.1368775     13.22313 6.870439 13.68733 7.092775 -0.4641981     9.874735 
1 1 1 8  5  110 o 12.31234 6.388599 0.4427816E-01  0.1221441     0.1045342E-01  0.1840685     0.7089125E-01  0.1632712     12.17044 6.334814 12.34334 6.420258 -0.1728964     9.019400 
1 1 1 8  5  111 o 10.70401 5.565394 0.5207736E-02  0.1154450     -0.2934220E-01 0.1768181     0.3087887E-01  0.1524142     10.67515 5.559406 10.78586 5.615412 -0.1107035     7.901889 
1 1 1 8  5  112 o 9.434656 4.912546 0.5206701E-01  0.1242149     0.1614791      0.1906949     -0.2857024E-01 0.1637096     9.495785 4.943882 9.290483 4.838180 0.2053022      6.917366 
1 1 1 8  5  113 o 7.779073 4.051155 -0.4200286E-01 0.1085247     -0.7179744E-01 0.1717151     -0.2218702E-01 0.1400381     7.816441 4.064655 7.838254 4.079910 -0.2181339E-01 5.759088 
1 1 1 8  5  114 o 6.554024 3.406715 -0.2961282E-01 0.1293938     -0.1087573     0.1730832     0.7065912E-01  0.1948203     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  5  115 o ?        ?        0.2147681E-02  0.1649995     0.4551753E-02  0.2626515     0.5804164E-03  0.2120690     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  5  116 o ?        ?        0.1094764      0.1871722     -0.3866978E-01 0.2930646     0.2115358      0.2432454     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  5  117 o ?        ?        -0.8441938E-01 0.1836298     0.000000       0.000000      -0.8441938E-01 0.1836298     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  5  118 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  5  119 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  6  1   o 114.8100 24.71720 0.9855085      0.3802531     0.9855085      0.3802531     0.000000       0.000000      114.8100 24.71720 ?        ?        0.000000       24.71720 
1 1 1 8  6  2   o 244.9447 23.58235 4.353194       0.7877583     4.353194       0.7877583     0.000000       0.000000      244.9447 23.58235 ?        ?        0.000000       23.58235 
1 1 1 8  6  3   o 142.2489 24.17212 1.494347       0.4578005     1.494347       0.4578005     0.000000       0.000000      142.2489 24.17212 ?        ?        0.000000       24.17212 
1 1 1 8  6  4   o 163.8345 16.50587 1.909704       0.3683200     1.909704       0.3683200     0.000000       0.000000      163.8345 16.50587 ?        ?        0.000000       16.50587 
1 1 1 8  6  5   o 191.8320 16.30172 2.609865       0.4277184     2.609865       0.4277184     0.000000       0.000000      191.8320 16.30172 ?        ?        0.000000       16.30172 
1 1 1 8  6  6   o 114.7478 16.82425 0.9470250      0.2586568     0.9470250      0.2586568     0.000000       0.000000      114.7478 16.82425 ?        ?        0.000000       16.82425 
1 1 1 8  6  7   o 122.4523 13.45770 1.061640       0.2237958     0.9657602      0.2727518     1.259185       0.3915043     115.6807 17.63295 130.9051 22.46836 -15.22443      28.56131 
1 1 1 8  6  8   o 153.1861 13.29228 1.653793       0.2783749     1.767378       0.3406273     1.425374       0.4830423     157.7417 15.85310 138.0973 26.29191 19.64436       30.70155 
1 1 1 8  6  9   o 213.4125 13.21310 3.198105       0.3874553     3.080641       0.4726627     3.438715       0.6764803     208.4471 16.55808 217.8325 22.82951 -9.385406      28.20207 
1 1 1 8  6  10  o 132.3342 13.41193 1.237659       0.2416911     1.405301       0.2958093     0.9010052      0.4191903     140.5837 15.49580 109.0352 27.76735 31.54849       31.79852 
1 1 1 8  6  11  o 146.8994 13.32064 1.521881       0.2672601     1.541391       0.3258957     1.481814       0.4670328     147.0833 16.32161 141.4162 24.82266 5.667068       29.70790 
1 1 1 8  6  12  o 164.3727 13.28392 1.902273       0.2989277     1.823386       0.3637557     2.066357       0.5246162     160.0037 16.71082 168.2013 23.20579 -8.197632      28.59650 
1 1 1 8  6  13  o 141.4875 13.36676 1.412800       0.2580516     1.338942       0.3131585     1.569044       0.4554803     136.8039 16.94006 146.1613 23.35455 -9.357437      28.85135 
1 1 1 8  6  14  o 101.2027 13.86175 0.7301342      0.1886172     0.5968273      0.2285055     1.015174       0.3341357     90.15659 18.95668 117.5883 21.36583 -27.43172      28.56317 
1 1 1 8  6  15  o 109.1646 11.79620 0.8408144      0.1749855     0.9569752      0.2456831     0.7212179      0.2492900     115.6338 15.80044 99.34258 18.86305 16.29118       24.60628 
1 1 1 8  6  16  o 143.6219 11.54307 1.447530       0.2269844     1.662801       0.3204265     1.230698       0.3215854     153.0971 15.36463 130.6839 18.32497 22.41324       23.91394 
1 1 1 8  6  17  o 255.4483 11.43528 4.549950       0.4033554     4.337537       0.5675220     4.766775       0.5733845     247.5133 16.70299 259.7574 16.06485 -12.24413      23.17476 
1 1 1 8  6  18  o 192.0528 11.46323 2.580760       0.3026082     2.239750       0.4246719     2.932514       0.4313106     177.2402 17.58424 203.7068 15.44870 -26.46661      23.40658 
1 1 1 8  6  19  o 236.0030 11.37919 3.883309       0.3708233     4.077509       0.5264843     3.692120       0.5223864     240.2037 15.96421 228.2735 16.68856 11.93015       23.09468 
1 1 1 8  6  20  f 153.3457 11.51024 1.648829       0.2419434     1.714543       0.3418714     1.582893       0.3424485     155.2540 16.18505 148.8947 16.95886 6.359283       23.44267 
1 1 1 8  6  21  o 202.6438 11.45698 2.872400       0.3192704     3.034678       0.4515056     2.710105       0.4515275     207.0862 15.91138 195.3213 16.90837 11.76488       23.21778 
1 1 1 8  6  22  o 187.5959 11.47836 2.463089       0.2959013     2.425795       0.4165955     2.501061       0.4203652     184.8428 16.49535 187.7440 16.37926 -2.901199      23.24601 
1 1 1 8  6  23  o 177.7973 11.50221 2.213691       0.2808739     2.096463       0.3950042     2.333582       0.3994645     171.6067 16.88856 181.3667 16.11880 -9.760056      23.34608 
1 1 1 8  6  24  o 181.6260 11.49959 2.309829       0.2869136     2.443955       0.4054418     2.175283       0.4060732     185.6702 15.96964 174.7688 17.04375 10.90141       23.35635 
1 1 1 8  6  25  o 124.2518 11.72862 1.086586       0.1988472     1.201137       0.2812300     0.9720628      0.2811949     129.6760 16.04865 115.8889 18.16961 13.78707       24.24240 
1 1 1 8  6  26  o 217.2182 11.52617 3.300590       0.3444787     3.102649       0.4852952     3.501613       0.4890596     208.9965 16.96259 222.4283 16.03079 -13.43176      23.33915 
1 1 1 8  6  27  f 146.5643 11.63290 1.508160       0.2334906     1.512827       0.3301872     1.503492       0.3302239     145.5198 16.73718 145.0458 16.79884 0.4739838      23.71359 
1 1 1 8  6  28  o 105.3744 12.01225 0.7852252      0.1716585     0.8792815      0.2430120     0.6915550      0.2425124     110.5323 16.42120 97.18268 18.75140 13.34958       24.92531 
1 1 1 8  6  29  o 151.2180 11.67521 1.605567       0.2418969     1.495561       0.3411414     1.716811       0.3430543     144.4168 17.46186 155.2302 16.24538 -10.81339      23.85013 
1 1 1 8  6  30  o 203.6833 11.58977 2.905590       0.3246152     2.921664       0.4592857     2.889545       0.4588650     202.7706 16.54791 201.6170 16.63080 1.153610       23.46096 
1 1 1 8  6  31  o 163.3603 11.68200 1.873232       0.2617739     1.807711       0.3699331     1.938945       0.3704761     158.9730 17.12253 164.9028 16.49136 -5.929825      23.77280 
1 1 1 8  6  32  o 231.7794 11.56529 3.752682       0.3701427     3.731721       0.5234021     3.773652       0.5235195     229.1458 16.65582 230.4730 16.56074 -1.327240      23.48775 
1 1 1 8  6  33  o 92.96209 12.59006 0.6156131      0.1574533     0.7201062      0.2229904     0.5117136      0.2223562     99.61171 16.81042 83.06888 19.68632 16.54283       25.88709 
1 1 1 8  6  34  o 75.72131 13.08392 0.4129915      0.1318548     0.4674246      0.1867262     0.3588552      0.1862165     79.70953 17.44913 69.78837 18.87085 9.921158       25.70177 
1 1 1 8  6  35  o 66.74259 13.49906 0.3236149      0.1201326     0.3852585      0.1697637     0.2617827      0.1700230     72.29979 17.24620 60.47225 18.57323 11.82754       25.34554 
1 1 1 8  6  36  o 142.8885 11.90924 1.438164       0.2328334     1.312192       0.3277674     1.566483       0.3308058     134.6912 18.07982 147.8820 16.48050 -13.19084      24.46399 
1 1 1 8  6  37  o 205.7927 11.70698 2.972200       0.3312944     3.044559       0.4682137     2.899649       0.4688291     206.6431 16.54795 201.4548 17.01296 5.188232       23.73342 
1 1 1 8  6  38  o 160.2339 13.85783 1.819490       0.3035927     1.744872       0.5310904     1.855709       0.3700075     152.0561 26.24291 160.8393 16.91361 -8.783218      31.22116 
1 1 1 8  6  39  o 76.59733 13.46411 0.4241422      0.1372086     0.5163946      0.2898443     0.3974981      0.1557676     82.96102 23.96063 73.59455 15.80042 9.366470       28.70131 
1 1 1 8  6  40  o 64.84166 15.29352 0.3090535      0.1347092     0.3143123      0.1688674     0.2998505      0.2233890     65.32275 18.09797 65.26426 21.43814 0.5848694E-01  28.05585 
1 1 1 8  6  41  o 70.68356 13.56223 0.3631172      0.1275549     0.4341536      0.1504064     0.1811567      0.2407213     77.19254 14.64666 57.58949 21.89862 19.60305       26.34529 
1 1 1 8  6  42  o 68.44091 13.20126 0.3403673      0.1202371     0.3954040      0.1652441     0.2784414      0.1752815     73.14111 16.72538 61.96011 18.82514 11.18100       25.18182 
1 1 1 8  6  43  o 264.4162 10.39930 4.887594       0.3796908     4.907532       0.5959696     4.873973       0.4926038     262.0063 16.55824 262.5521 13.63457 -0.5458679     21.44941 
1 1 1 8  6  44  o 212.6510 10.37011 3.161641       0.3045011     3.164259       0.4770777     3.159841       0.3955492     210.1171 16.57799 211.2209 13.63487 -1.103806      21.46484 
1 1 1 8  6  45  o 179.8500 9.611656 2.264195       0.2378325     2.162645       0.3352547     2.367077       0.3374480     174.4091 14.03983 182.7175 13.46982 -8.308365      19.45644 
1 1 1 8  6  46  o 147.9463 9.751577 1.535079       0.1980955     1.570034       0.2789813     1.499531       0.2813323     148.5049 13.76132 144.9503 14.23984 3.554504       19.80270 
1 1 1 8  6  47  o 62.90761 11.95503 0.2868329      0.1000501     0.2815648      0.1400985     0.2923160      0.1429284     61.74686 16.22137 62.88126 16.31940 -1.134396      23.00990 
1 1 1 8  6  48  o 182.3842 10.64186 2.336551       0.2668411     2.074777       0.4217856     2.511243       0.3445596     168.9688 18.37404 188.1992 13.34548 -19.23038      22.70918 
1 1 1 8  6  49  o 53.99541 13.65264 0.2138501      0.1018518     0.2086236      0.1667222     0.2169621      0.1286491     55.17067 18.53336 54.63781 16.01609 0.5328598      24.49491 
1 1 1 8  6  50  o 99.18311 11.74803 0.7001750      0.1577675     0.8134316      0.2526703     0.6278027      0.2019801     105.0801 18.06509 92.54327 16.40684 12.53685       24.40352 
1 1 1 8  6  51  o 272.9765 9.603010 5.205557       0.3619684     4.974962       0.5101719     5.439304       0.5136470     264.7828 14.00347 277.5032 13.40475 -12.72043      19.38516 
1 1 1 8  6  52  o 137.0069 9.973552 1.319332       0.1873867     1.281516       0.2645333     1.357419       0.2654788     133.6910 14.56549 137.7720 14.15635 -4.080948      20.31147 
1 1 1 8  6  53  o 202.4160 9.621736 2.863204       0.2689282     3.011623       0.3817751     2.717024       0.3788850     205.9935 13.49658 195.3554 14.14136 10.63818       19.54829 
1 1 1 8  6  54  o 187.8376 9.738575 2.473081       0.2517230     2.506537       0.3580981     2.440401       0.3539187     187.6573 13.91889 185.1417 13.94642 2.515625       19.70376 
1 1 1 8  6  55  o 108.9424 10.35224 0.8383739      0.1538574     0.8086236      0.2185350     0.8676137      0.2166515     105.5354 15.45425 109.6358 14.67956 -4.100365      21.31486 
1 1 1 8  6  56  o 188.0378 9.809482 2.479571       0.2538174     2.561037       0.3590937     2.398233       0.3588105     189.6924 13.80412 183.3396 14.28607 6.352829       19.86569 
1 1 1 8  6  57  o 144.6309 10.10771 1.471285       0.2005915     1.456477       0.2827605     1.486287       0.2846070     142.5035 14.57507 143.9905 14.51228 -1.487030      20.56791 
1 1 1 8  6  58  f 162.1586 10.10806 1.847971       0.2252055     1.799073       0.3182245     1.897033       0.3187535     158.4469 14.71289 162.8904 14.31704 -4.443451      20.52917 
1 1 1 8  6  59  o 155.2065 11.24760 1.700900       0.2394150     1.699027       0.3053195     1.703889       0.3857944     153.9932 14.53046 152.4374 18.72202 1.555847       23.69912 
1 1 1 8  6  60  o 176.6609 11.17444 2.200924       0.2711818     2.023442       0.3446954     2.489203       0.4393040     167.9359 15.02332 185.2641 17.37559 -17.32822      22.96979 
1 1 1 8  6  61  o 221.8468 9.775791 3.444366       0.2994629     3.635834       0.4233661     3.252648       0.4236429     226.1228 13.62279 213.4385 14.45969 12.68431       19.86613 
1 1 1 8  6  62  o 100.7719 10.99905 0.7214320      0.1505643     0.7999745      0.2126823     0.6425225      0.2131786     104.9471 15.11226 93.17420 17.20327 11.77290       22.89832 
1 1 1 8  6  63  o 158.5292 11.27160 1.776424       0.2451285     1.709672       0.3896010     1.820164       0.3153748     152.3620 18.92619 159.2897 14.49708 -6.927658      23.84042 
1 1 1 8  6  64  o 228.7854 12.13183 3.705517       0.3818895     3.675359       0.5518184     3.733237       0.5290477     224.6010 17.94267 226.9720 17.00404 -2.371063      24.71996 
1 1 1 8  6  65  o 121.2534 11.78176 1.046657       0.1947707     0.9807589      0.2586286     1.133000       0.2960414     115.6156 16.68301 123.9315 17.81129 -8.315910      24.40420 
1 1 1 8  6  66  f 121.1435 11.32152 1.043333       0.1871883     1.145182       0.2670180     0.9449101      0.2624886     125.3482 15.77660 113.0630 17.36881 12.28528       23.46437 
1 1 1 8  6  67  o 141.1826 10.75675 1.411941       0.2081229     1.471413       0.2965439     1.354212       0.2921655     142.3382 15.32973 136.2762 15.82078 6.061966       22.02947 
1 1 1 8  6  68  f 46.87944 15.61996 0.1523386      0.1184350     0.1497067      0.1548521     0.1560479      0.1838379     48.82360 17.75218 51.24726 19.21498 -2.423668      26.16018 
1 1 1 8  6  69  o 118.7036 13.50287 1.020391       0.2173852     0.9956431      0.2947069     1.049928       0.3219553     114.5792 19.31400 116.9946 20.68601 -2.415344      28.30091 
1 1 1 8  6  70  o 100.3780 12.69164 0.7305589      0.1719807     0.6864195      0.2563868     0.7666661      0.2318889     93.97779 20.34711 100.9444 17.25639 -6.966621      26.67935 
1 1 1 8  6  71  o 139.9153 11.80229 1.405906       0.2258897     1.408135       0.3441992     1.404220       0.2993816     136.1614 18.80926 137.6358 16.05441 -1.474365      24.72918 
1 1 1 8  6  72  o 132.4960 11.11947 1.259296       0.2015534     1.187619       0.2822560     1.333872       0.2879071     125.7962 16.65923 133.8782 15.88402 -8.081909      23.01808 
1 1 1 8  6  73  o 137.6073 11.21261 1.362504       0.2111998     1.331431       0.2949954     1.395180       0.3025095     133.0522 16.40404 136.2285 16.41210 -3.176270      23.20452 
1 1 1 8  6  74  o 42.86801 15.17539 0.1236589      0.1123194     0.1541321      0.1539656     0.8899262E-01  0.1642168     48.22232 17.67568 43.91175 17.66656 4.310566       24.99074 
1 1 1 8  6  75  o 115.4877 11.59164 0.9710136      0.1823555     0.8441455      0.2443194     1.130585       0.2740053     104.2221 17.60403 121.4785 16.78337 -17.25636      24.32249 
1 1 1 8  6  76  o 103.1109 10.38468 0.7695671      0.1458426     0.7350257      0.2142747     0.7993802      0.1990690     97.48869 16.50674 103.0251 14.38583 -5.536438      21.89577 
1 1 1 8  6  77  o 104.9974 11.08912 0.8047945      0.1583408     0.6706797      0.2341646     0.9177770      0.2149258     91.02263 19.23322 110.2081 14.47331 -19.18549      24.07059 
1 1 1 8  6  78  o 91.04500 11.17309 0.6086178      0.1375168     0.7123083      0.2036500     0.5217091      0.1864433     95.86545 15.94458 81.04232 17.19340 14.82313       23.44872 
1 1 1 8  6  79  o 58.08670 13.47246 0.2594450      0.1059631     0.3867548      0.1562083     0.1509294      0.1442179     69.76331 16.47844 46.67990 17.10750 23.08341       23.75301 
1 1 1 8  6  80  o 62.44616 13.21697 0.2986449      0.1104131     0.3763389      0.1627269     0.2323583      0.1503069     68.31353 17.24806 54.31498 17.57015 13.99855       24.62124 
1 1 1 8  6  81  o 126.5397 10.29657 1.164053       0.1783507     1.064883       0.2662351     1.244788       0.2402185     116.1037 17.12041 128.4318 13.75972 -12.32812      21.96448 
1 1 1 8  6  82  o 59.71236 16.41047 0.2856054      0.1394886     0.3634057      0.2053017     0.2188953      0.1901067     65.61289 20.45216 53.78594 19.65219 11.82695       28.36370 
1 1 1 8  6  83  o 41.77691 16.33049 0.1013440      0.1365218     0.4084424      0.3043678     0.2399751E-01  0.1527497     68.03978 24.86539 37.77816 16.24154 30.26162       29.69975 
1 1 1 8  6  84  o 34.30482 13.57030 0.5802589E-01  0.9527355E-01 -0.2212609     0.2207037     0.1219901      0.1056217     34.58375 16.51287 41.65107 14.71904 -7.067326      22.12069 
1 1 1 8  6  85  o 90.03822 12.52767 0.6081262      0.1515324     0.6803651      0.2569996     0.5696281      0.1876145     89.24773 21.17362 84.64227 16.64562 4.605469       26.93323 
1 1 1 8  6  86  o 61.56814 14.62330 0.2969011      0.1224729     0.3700843      0.1908418     0.2456561      0.1596958     66.51827 19.50936 55.48550 18.12121 11.03278       26.62693 
1 1 1 8  6  87  o 102.5208 12.54534 0.7870244      0.1738901     0.9588468      0.2491691     0.6238866      0.2427905     110.0131 16.94664 85.53599 20.76506 24.47712       26.80255 
1 1 1 8  6  88  o 120.4968 11.02925 1.067723       0.1814741     1.042776       0.2751317     1.086935       0.2414422     113.5194 18.16469 118.5652 15.08940 -5.045807      23.61453 
1 1 1 8  6  89  o 164.5748 10.83449 1.987231       0.2448356     2.348113       0.4126956     1.791234       0.3041393     170.8893 17.74838 152.6144 14.61100 18.27492       22.98883 
1 1 1 8  6  90  o 118.3721 11.88418 1.049405       0.1916255     0.8793250      0.3154685     1.148854       0.2412289     97.55309 23.66213 121.5164 14.67370 -23.96326      27.84266 
1 1 1 8  6  91  o 151.5065 10.93823 1.705332       0.2272934     1.775993       0.3193007     1.632743       0.3236258     149.2183 15.73390 141.6561 16.87737 7.562225       23.07382 
1 1 1 8  6  92  o 84.55353 13.15626 0.5593187      0.1486097     0.6173540      0.2076260     0.4983542      0.2128012     84.48598 18.32487 73.80573 20.26337 10.68025       27.32042 
1 1 1 8  6  93  o 64.03300 15.74275 0.3470081      0.1382170     0.3836754      0.1852769     0.3009947      0.2075506     64.43835 19.30458 56.78953 20.56679 7.648815       28.20744 
1 1 1 8  6  94  o 50.03020 15.98920 0.2172068      0.1247616     0.2796969      0.1665994     0.1374124      0.1882582     54.88855 18.52610 44.48645 18.51741 10.40210       26.19372 
1 1 1 8  6  95  o 67.60456 16.94994 0.4177587      0.1579331     0.3462954      0.2324496     0.4790341      0.2152437     56.53650 21.51410 67.47868 20.92641 -10.94218      30.01285 
1 1 1 8  6  96  o 97.06124 15.15721 0.8295466      0.1965031     0.9539315      0.2974832     0.7332621      0.2617318     89.97614 23.63757 79.24841 22.73446 10.72773       32.79619 
1 1 1 8  6  97  o 68.08369 16.39753 0.4509220      0.1523190     0.4572834      0.2102161     0.4438905      0.2210124     60.79963 20.80898 58.69592 21.22849 2.103718       29.72646 
1 1 1 8  6  98  o 93.02607 14.57749 0.8166248      0.1810999     1.058690       0.2522767     0.5592510      0.2601317     96.12782 19.66878 57.81413 22.55798 38.31369       29.92864 
1 1 1 8  6  99  o 29.62360 13.10982 0.5027934E-01  0.1059424     0.1971582      0.1476801     -0.1054542     0.1520664     39.87244 16.48235 26.27449 12.82152 13.59795       20.88204 
1 1 1 8  6  100 o 32.09941 13.51871 0.1082864      0.1021339     0.2268563      0.1456536     -0.6409789E-02 0.1432545     39.02315 16.26933 27.44905 13.15918 11.57409       20.92499 
1 1 1 8  6  101 o 21.18758 10.11522 -0.2754113E-01 0.8276048E-01 -0.7879378E-02 0.1192577     -0.4580606E-01 0.1149435     24.58285 11.84199 23.00842 11.20998 1.574430       16.30633 
1 1 1 8  6  102 o 19.80161 9.590318 -0.2939440E-01 0.8084348E-01 -0.5670488E-01 0.1163217     -0.3877502E-02 0.1124372     21.25280 10.53199 22.63938 11.04265 -1.386580      15.25985 
1 1 1 8  6  103 o 18.15567 9.030001 -0.5225756E-01 0.8859933E-01 -0.1243544     0.1348306     0.2532278E-02  0.1175386     18.96863 9.641201 20.84886 10.37457 -1.880232      14.16278 
1 1 1 8  6  104 o 16.48619 8.343480 -0.6465960E-01 0.9390239E-01 -0.8819605E-01 0.1695625     -0.5424831E-01 0.1127747     18.08765 9.300169 17.35651 8.821368 0.7311344      12.81833 
1 1 1 8  6  105 o 16.94390 8.671851 0.6564607E-01  0.1259254     0.1715399      0.2000933     -0.3798622E-02 0.1620379     17.32537 8.956082 16.31764 8.421291 1.007727       12.29348 
1 1 1 8  6  106 o 13.82361 7.127137 -0.1481603E-01 0.1107780     0.7735618E-02  0.1818091     -0.2813231E-01 0.1397068     14.16708 7.359825 13.89353 7.198449 0.2735491      10.29489 
1 1 1 8  6  107 o 12.84451 6.662748 0.9094199E-01  0.1299690     0.1571731      0.2064444     0.4745631E-01  0.1672805     12.77261 6.648921 12.56918 6.537534 0.2034283      9.324565 
1 1 1 8  6  108 o 10.05848 5.224728 -0.1550663     0.9051892E-01 -0.7121040E-01 0.1588685     -0.1953753     0.1101468     10.93369 5.692666 10.21411 5.312528 0.7195873      7.786489 
1 1 1 8  6  109 o 9.680756 5.039707 0.4885825E-02  0.1196328     0.1053935      0.1929953     -0.5783297E-01 0.1524564     9.809450 5.107929 9.586598 4.992567 0.2228518      7.142594 
1 1 1 8  6  110 f 8.269668 4.306660 0.2388937E-02  0.1154530     -0.7084327E-01 0.1826830     0.5108971E-01  0.1489755     8.228745 4.279789 8.332451 4.338005 -0.1037064     6.093839 
1 1 1 8  6  111 o 7.038280 3.657542 0.1064236      0.1538377     0.1627791      0.2035232     0.3130900E-01  0.2349677     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  6  112 f 5.576824 2.898997 -0.2118952     0.9216718E-01 -0.1480952     0.1727566     -0.2372800     0.1089711     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  6  113 o ?        ?        0.5541046E-01  0.1726248     0.1998078      0.2753777     -0.3806359E-01 0.2215617     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  6  114 o ?        ?        -0.1387922E-01 0.1911756     0.000000       0.000000      -0.1387922E-01 0.1911756     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  6  115 o ?        ?        -0.2737343E-01 0.1888055     0.000000       0.000000      -0.2737343E-01 0.1888055     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  6  116 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  6  117 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  0   o 141.6012 17.40830 1.461215       0.3265851     1.336050       0.4669856     1.581033       0.4569016     127.9532 30.45552 143.6325 25.41019 0.000000       0.000000 
1 1 1 8  7  1   o 161.9633 13.40506 1.848808       0.2970994     1.740633       0.3639388     2.064917       0.5143999     156.0993 17.16826 168.2114 22.72863 -12.11205      28.48403 
1 1 1 8  7  2   o 172.4000 13.32603 2.092712       0.3147681     2.164149       0.3864176     1.951829       0.5426556     174.5359 16.21922 162.5784 24.97114 11.95752       29.77618 
1 1 1 8  7  3   o 113.5666 13.73420 0.9162604      0.2109970     0.8190368      0.2584486     1.110567       0.3653696     106.1267 18.29725 122.7067 22.38881 -16.58008      28.91450 
1 1 1 8  7  4   o 208.0195 13.31472 3.041442       0.3804425     2.750355       0.4632088     3.644810       0.6668950     196.5838 17.23849 224.6414 21.77288 -28.05766      27.77091 
1 1 1 8  7  5   o 238.1471 11.54181 3.957210       0.3795398     3.587049       0.4355899     5.124291       0.7734519     225.7524 14.04315 266.9652 21.15491 -41.21280      25.39174 
1 1 1 8  7  6   o 127.6974 11.83826 1.147859       0.2063674     1.342729       0.2388807     0.5745826      0.4097233     138.0122 12.67673 89.04375 29.02322 48.96844       31.67092 
1 1 1 8  7  7   o 148.8357 11.54966 1.554738       0.2355048     1.539761       0.2715729     1.600154       0.4729195     147.6837 13.46531 147.2014 24.10115 0.4823303      27.60761 
1 1 1 8  7  8   o 162.9088 13.36550 1.870525       0.2980059     1.965594       0.3650164     1.680498       0.5160617     166.2768 16.09962 150.2478 25.80422 16.02899       30.41473 
1 1 1 8  7  9   o 183.9047 13.28771 2.380145       0.3351566     2.613799       0.4110903     1.916962       0.5787973     192.0836 15.63486 160.0892 27.15378 31.99442       31.33331 
1 1 1 8  7  10  o 233.7516 13.30974 3.838544       0.4278205     3.303103       0.5181350     4.985659       0.7583860     215.3793 17.57534 263.2800 21.03664 -47.90076      27.41227 
1 1 1 8  7  11  o 153.9551 13.38100 1.672257       0.2816305     1.765007       0.3444116     1.485085       0.4892617     157.4749 16.06396 140.8779 26.11286 16.59691       30.65832 
1 1 1 8  7  12  o 189.1001 13.30700 2.516602       0.3452491     2.397727       0.4210777     2.760443       0.6030750     183.5225 16.80285 194.6516 22.87365 -11.12914      28.38203 
1 1 1 8  7  13  o 176.4578 13.35116 2.193400       0.3229026     2.334657       0.3953036     1.910158       0.5597649     181.3302 15.95010 160.0950 26.23019 21.23526       30.69900 
1 1 1 8  7  14  o 187.8345 13.33667 2.484046       0.3436598     2.562130       0.4198090     2.325423       0.5983458     189.9302 16.16098 177.4243 25.12543 12.50583       29.87415 
1 1 1 8  7  15  o 257.9513 13.38425 4.675623       0.4750889     4.217976       0.5755209     5.654588       0.8417426     243.5629 17.22350 279.7607 21.96647 -36.19780      27.91370 
1 1 1 8  7  16  o 74.14114 12.94105 0.3956990      0.1276652     0.4816861      0.1780424     0.3046996      0.1831579     81.20295 16.44255 64.83447 19.14023 16.36848       25.23304 
1 1 1 8  7  17  o 111.4072 11.97917 0.8772090      0.1813846     0.8280725      0.2532524     0.9289629      0.2599102     106.7355 17.81095 113.3852 17.13529 -6.649658      24.71534 
1 1 1 8  7  18  o 100.8152 12.10421 0.7205297      0.1651316     0.8510113      0.2323866     0.5874449      0.2346934     108.7385 15.95133 89.11253 19.60561 19.62598       25.27498 
1 1 1 8  7  19  o 261.5543 11.50615 4.778677       0.4155562     4.722477       0.5857357     4.835631       0.5896541     257.9329 16.53293 261.0555 16.44186 -3.122681      23.31679 
1 1 1 8  7  20  o 140.4168 11.69580 1.387122       0.2247082     1.149334       0.3149535     1.633658       0.3206951     125.8315 18.69495 151.4466 15.55643 -25.61514      24.32085 
1 1 1 8  7  21  o 82.60864 12.47634 0.4880404      0.1378805     0.4618722      0.1938625     0.5148277      0.1961425     79.11031 18.13447 83.71711 17.52956 -4.606796      25.22190 
1 1 1 8  7  22  o 108.9116 11.99017 0.8393883      0.1773304     0.8725944      0.2493242     0.8053935      0.2522677     109.7873 16.99570 105.0903 18.03385 4.696968       24.78051 
1 1 1 8  7  23  f 253.8146 11.51382 4.503092       0.4035283     4.833130       0.5725900     4.177432       0.5687796     261.0256 15.96301 242.1163 17.12349 18.90930       23.41008 
1 1 1 8  7  24  o 217.9206 11.55322 3.329177       0.3464060     3.385089       0.4890603     3.272883       0.4907281     218.1089 16.35783 214.3059 16.71539 3.803070       23.38767 
1 1 1 8  7  25  o 199.8055 11.57068 2.800822       0.3178641     2.680102       0.4470536     2.924253       0.4520434     193.7059 16.88273 202.6213 16.29465 -8.915421      23.46363 
1 1 1 8  7  26  o 129.4457 13.80717 1.191078       0.2429830     1.158707       0.2949682     1.259421       0.4285880     126.6270 17.32422 129.3222 24.90453 -2.695190      30.33750 
1 1 1 8  7  27  f 120.4746 13.96867 1.034458       0.2280627     1.197013       0.2776442     0.6972562      0.3998837     129.1485 15.90512 95.59769 28.29763 33.55085       32.46119 
1 1 1 8  7  28  o 223.7684 13.51438 3.533751       0.4156141     3.331495       0.5042064     3.962481       0.7340897     215.8629 17.05470 232.2917 23.19658 -16.42880      28.79139 
1 1 1 8  7  29  o 149.9628 17.33250 1.620427       0.3522953     1.861147       0.4984515     1.380152       0.4979904     158.2567 23.52559 134.0093 27.82248 24.24736       36.43547 
1 1 1 8  7  30  o 184.9489 24.89110 2.553226       0.6195318     0.000000       0.000000      2.553226       0.6195318     ?        ?        184.9489 24.89110 0.000000       24.89110 
1 1 1 8  7  31  o 184.0569 16.88113 2.430025       0.4242533     0.000000       0.000000      2.430025       0.4242533     ?        ?        184.0569 16.88113 0.000000       16.88113 
1 1 1 8  7  32  o 104.4105 24.78208 0.8333953      0.3519339     0.000000       0.000000      0.8333953      0.3519339     ?        ?        104.4105 24.78208 0.000000       24.78208 
1 1 1 8  7  33  o 103.0791 17.67472 0.7787251      0.2425165     0.7384949      0.3407705     0.8200111      0.3452128     98.13708 25.05946 103.5802 24.51715 -5.443146      35.05805 
1 1 1 8  7  34  o 282.2474 11.71159 5.587694       0.4564400     5.498997       0.6430773     5.677741       0.6479576     277.2063 16.88092 281.7784 16.72829 -4.572083      23.76554 
1 1 1 8  7  35  o 179.9947 11.80849 2.282686       0.2918622     2.285470       0.4107440     2.279848       0.4147967     178.2622 16.88826 177.9563 17.09066 0.3059540      24.02715 
1 1 1 8  7  36  o 178.6023 11.84581 2.248482       0.2904813     2.353766       0.4098223     2.142183       0.4117898     181.0135 16.58056 172.2139 17.56266 8.799667       24.15289 
1 1 1 8  7  37  o 75.68602 13.77775 0.4162983      0.1386851     0.4137873      0.1954345     0.4188454      0.1968336     74.41883 18.96386 74.86170 19.00714 -0.4428711     26.84957 
1 1 1 8  7  38  o 165.9922 11.96730 1.945062       0.2724576     1.968111       0.3847654     1.921881       0.3858635     165.1167 17.12494 163.0310 17.40981 2.085632       24.42059 
1 1 1 8  7  39  o 257.5947 11.72323 4.658926       0.4169866     4.595274       0.5887856     4.722978       0.5906349     253.0350 16.94948 256.6493 16.75837 -3.614304      23.83543 
1 1 1 8  7  40  o 172.9815 11.91620 2.111755       0.2828903     2.195329       0.4000218     2.028144       0.4001129     174.5597 16.80353 167.3994 17.57188 7.160233       24.31316 
1 1 1 8  7  41  o 74.56392 13.90267 0.4049561      0.1378754     0.4263637      0.1948147     0.3834733      0.1951563     75.49995 18.76780 71.63535 19.29683 3.864601       26.91836 
1 1 1 8  7  42  o 185.6581 11.90007 2.431686       0.3034651     2.561001       0.4299889     2.303358       0.4283447     188.6535 16.67829 178.4260 17.61588 10.22751       24.25871 
1 1 1 8  7  43  o 110.3087 12.77963 0.8682435      0.1910496     1.089958       0.2710380     0.6492990      0.2693398     122.5831 16.42565 92.59087 21.48203 29.99226       27.04218 
1 1 1 8  7  44  o 169.9488 12.05611 2.040919       0.2810837     2.104397       0.3965604     1.976828       0.3984713     170.6712 17.05554 165.0633 17.76231 5.607910       24.62501 
1 1 1 8  7  45  o 183.7777 10.61737 2.373455       0.2682835     2.427929       0.4266242     2.337821       0.3450480     183.4021 17.04110 181.2654 13.89133 2.136642       21.98564 
1 1 1 8  7  46  o 150.5464 9.738448 1.590602       0.2013563     1.550857       0.2838328     1.630871       0.2856981     147.3353 14.12451 151.2197 13.83569 -3.884430      19.77190 
1 1 1 8  7  47  o 150.4921 9.732707 1.589638       0.2011654     1.669964       0.2842433     1.509032       0.2847391     153.1017 13.58652 145.2057 14.39072 7.895981       19.79107 
1 1 1 8  7  48  o 96.50149 10.40245 0.6594780      0.1364230     0.6813499      0.1924813     0.6374004      0.1933843     96.90028 14.85963 93.45805 15.53042 3.442238       21.49425 
1 1 1 8  7  49  o 104.3654 10.15259 0.7693642      0.1444569     0.7306528      0.2037571     0.8084854      0.2048330     100.2996 15.18741 105.8568 14.38604 -5.557266      20.91926 
1 1 1 8  7  50  o 58.05591 12.17970 0.2459269      0.9452315E-01 0.2422285      0.1340749     0.2495815      0.1332805     57.40044 16.20577 58.18844 16.06153 -0.7880058     22.81665 
1 1 1 8  7  51  o 136.0239 10.00245 1.301687       0.1865529     1.306446       0.2638192     1.296927       0.2638322     134.9576 14.37840 134.4395 14.43843 0.5181580      20.37662 
1 1 1 8  7  52  o 274.3345 9.645007 5.263047       0.3653600     5.151534       0.5149205     5.376112       0.5184920     269.2448 13.89756 275.5220 13.62849 -6.277222      19.46479 
1 1 1 8  7  53  o 115.0501 11.58396 0.9398161      0.1815243     0.9260327      0.2303784     0.9623858      0.2948005     113.1165 15.12850 113.7365 19.47131 -0.6199951     24.65773 
1 1 1 8  7  54  o 137.3315 11.19636 1.333412       0.2104691     1.360733       0.2665616     1.288183       0.3429734     137.7706 14.21642 131.9627 19.40141 5.807922       24.05247 
1 1 1 8  7  55  f 73.12300 11.85513 0.3855748      0.1156026     0.4439706      0.1612761     0.3238635      0.1657910     77.58018 15.59585 65.88516 17.80186 11.69501       23.66720 
1 1 1 8  7  56  o 68.61691 12.28677 0.3415994      0.1121394     0.2516174      0.1573051     0.4345805      0.1599050     58.69791 17.83365 76.70668 15.62759 -18.00877      23.71203 
1 1 1 8  7  57  o 84.30704 11.77875 0.5098658      0.1333754     0.5944725      0.1887927     0.4255657      0.1884502     89.96338 15.77288 75.22737 18.31384 14.73601       24.16982 
1 1 1 8  7  58  o 247.2155 10.78299 4.294520       0.3680890     4.032053       0.5786197     4.472943       0.4770679     235.3559 17.93963 250.5374 13.84388 -15.18149      22.66017 
1 1 1 8  7  59  f 213.7522 12.02783 3.236059       0.3535632     3.050188       0.5081626     3.410467       0.4922451     204.2216 18.21144 217.0582 16.54825 -12.83659      24.60693 
1 1 1 8  7  60  o 272.6127 10.69392 5.227433       0.4025510     5.099483       0.5248774     5.410194       0.6273044     266.9874 14.28917 273.2939 16.70322 -6.306488      21.98131 
1 1 1 8  7  61  o 104.8286 12.61388 0.7896167      0.1789204     0.8418743      0.2391492     0.7231786      0.2696514     106.7737 16.77356 97.23968 20.71676 9.534027       26.65589 
1 1 1 8  7  62  o 99.06797 12.76521 0.7079790      0.1705597     0.5605468      0.2209384     0.9254333      0.2683237     85.80059 19.13558 111.3503 18.07085 -25.54969      26.31969 
1 1 1 8  7  63  o 36.39530 12.03649 0.9018505E-01  0.7037464E-01 -0.2022620E-01 0.1014119     0.1927440      0.9773923E-01 29.51234 12.95243 51.02716 13.61810 -21.51481      18.79410 
1 1 1 8  7  64  o 176.0379 10.93539 2.201123       0.2645000     2.516840       0.4141058     1.983561       0.3437588     185.1835 16.36300 164.9013 15.27037 20.28220       22.38151 
1 1 1 8  7  65  f 114.2889 11.71529 0.9385909      0.1822697     1.024427       0.2778798     0.8737729      0.2414738     116.6395 17.81875 108.1020 16.71640 8.537445       24.43248 
1 1 1 8  7  66  o 146.4070 11.48348 1.535904       0.2302906     1.676004       0.3044966     1.348675       0.3520049     151.2270 14.77051 132.5043 19.85003 18.72269       24.74251 
1 1 1 8  7  67  o 38.77534 13.84003 0.9636614E-01  0.9360611E-01 0.1567943      0.1284122     0.2784837E-01  0.1367378     47.40639 16.26303 37.25974 15.66438 10.14665       22.58006 
1 1 1 8  7  68  o 161.3563 13.00938 1.895434       0.2873918     2.112430       0.4283180     1.717741       0.3875933     165.7101 19.06641 149.1229 19.27428 16.58713       27.11136 
1 1 1 8  7  69  o 116.2796 14.04133 1.002277       0.2208852     0.9840930      0.3348269     1.016289       0.2939143     109.3896 22.90149 113.7591 19.40731 -4.369560      30.01870 
1 1 1 8  7  70  o 56.15774 14.83806 0.2421083      0.1167871     0.1595097      0.1614237     0.3328272      0.1691725     48.91332 18.07108 64.82297 18.16956 -15.90965      25.62610 
1 1 1 8  7  71  o 47.82669 16.02525 0.1679583      0.1246475     0.3067656      0.1787295     0.3651322E-01  0.1739251     62.02278 19.04174 41.09796 17.49014 20.92482       25.85523 
1 1 1 8  7  72  o 116.2895 13.49976 1.008793       0.2127397     0.7538052      0.3009115     1.263603       0.3008071     93.59669 23.35775 127.2123 17.59574 -33.61558      29.24371 
1 1 1 8  7  73  o 65.43098 16.02688 0.3372510      0.1436537     0.2442643      0.2036972     0.4292579      0.2026212     56.65705 20.39572 72.08498 19.76525 -15.42794      28.40159 
1 1 1 8  7  74  o 109.1679 13.75534 0.8975177      0.2027469     0.8059710      0.2852643     0.9909670      0.2882132     97.61200 21.72390 110.3707 19.63073 -12.75871      29.27957 
1 1 1 8  7  75  o 80.67032 15.38777 0.5066340      0.1651515     0.6093483      0.2335223     0.4038542      0.2335967     85.47942 20.11912 68.75638 21.86855 16.72305       29.71552 
1 1 1 8  7  76  o 98.61691 14.63916 0.7454745      0.1932944     0.8458297      0.2741934     0.6463307      0.2725333     100.7578 20.40749 85.94702 22.64655 14.81079       30.48494 
1 1 1 8  7  77  o 75.59869 17.60188 0.4631973      0.1803111     0.3971325      0.3387216     0.4893212      0.2129982     67.71479 25.92212 76.23074 19.98926 -8.515945      32.73418 
1 1 1 8  7  78  f 75.58794 20.77291 0.4885336      0.2235106     0.6000961      0.3412703     0.4047348      0.2957728     79.42944 26.51674 67.87835 24.55655 11.55109       36.14085 
1 1 1 8  7  79  o 83.60394 20.76663 0.5954766      0.2386562     0.4878541      0.3727907     0.6702160      0.3106620     72.40823 27.31894 85.30034 24.85537 -12.89211      36.93391 
1 1 1 8  7  80  o 75.44955 17.60215 0.4620888      0.1800265     0.5665818      0.3414399     0.4218547      0.2118692     77.33595 26.51957 70.40028 20.52988 6.935669       33.53749 
1 1 1 8  7  81  o 89.22738 19.68598 0.6622548      0.2360396     0.3553701      0.4595700     0.7722168      0.2750967     67.48190 28.56192 95.05376 21.46676 -27.57185      35.72961 
1 1 1 8  7  82  o 80.34359 20.54369 0.5485863      0.2288031     0.4920981      0.4652536     0.5666059      0.2627749     72.74441 29.56937 80.05451 22.71765 -7.310104      37.28859 
1 1 1 8  7  83  o 83.38747 19.73847 0.5832673      0.2237476     0.1716063      0.3887296     0.7872202      0.2736168     58.63458 25.55537 96.03976 21.19993 -37.40518      33.20413 
1 1 1 8  7  84  o 131.0160 16.72689 1.355923       0.2957001     1.251997       0.5124440     1.407802       0.3620596     107.0181 32.11503 129.1048 21.03379 -22.08664      38.39005 
1 1 1 8  7  85  o 61.35154 19.79615 0.3183322      0.1908963     0.4326511      0.3290834     0.2603548      0.2343563     68.36258 25.69349 57.21796 21.64304 11.14462       33.59430 
1 1 1 8  7  86  o 134.4334 16.65693 1.447404       0.3025792     1.234101       0.3701789     1.876815       0.5252290     116.0281 23.90078 136.3723 28.79577 -20.34415      37.42251 
1 1 1 8  7  87  o 149.8820 13.50749 1.729565       0.2765482     1.616567       0.3168310     2.091105       0.5667251     141.3710 16.54323 139.4052 30.30569 1.965790       34.52699 
1 1 1 8  7  88  o 124.4053 14.16063 1.220877       0.2389192     1.144992       0.2732092     1.467543       0.4925759     116.8714 17.46544 111.2427 30.94148 5.628662       35.53050 
1 1 1 8  7  89  o 114.3263 13.10734 1.026672       0.2031800     1.040307       0.2581837     1.004491       0.3293002     110.1628 17.56263 99.37578 24.21902 10.78706       29.91666 
1 1 1 8  7  90  o 63.65280 16.54564 0.3563117      0.1467674     0.3182382      0.1842663     0.4223798      0.2427340     57.77539 19.48373 63.37458 22.32237 -5.599197      29.62944 
1 1 1 8  7  91  f 110.9647 15.24421 1.048250       0.2274051     1.196522       0.3130412     0.8825781      0.3309002     109.1413 21.53660 84.79684 25.88808 24.34450       33.67519 
1 1 1 8  7  92  o 40.72202 16.10671 0.1342894      0.1342004     -0.1369459     0.1791112     0.4814470      0.2026344     30.42724 14.62061 67.17422 20.20317 -36.74698      24.93853 
1 1 1 8  7  93  o 104.4081 14.12468 0.9570997      0.1984068     1.165583       0.2556839     0.6415551      0.3145561     109.5189 17.49627 63.39240 24.78599 46.12650       30.33916 
1 1 1 8  7  94  o 34.08719 14.18625 0.8665883E-01  0.1104639     0.1139067      0.1500828     0.5444928E-01  0.1631763     37.28041 16.06368 34.61075 15.71323 2.669666       22.47104 
1 1 1 8  7  95  f 31.76530 13.04719 0.8113834E-01  0.9177263E-01 0.2276529E-01  0.1307691     0.1377887      0.1288250     30.03271 13.79705 36.88285 15.33235 -6.850136      20.62619 
1 1 1 8  7  96  o 30.93989 12.91577 0.8722364E-01  0.9196235E-01 0.1328791      0.1322401     0.4446669E-01  0.1279736     34.40554 14.95102 29.43530 13.56904 4.970247       20.19039 
1 1 1 8  7  97  o 36.78165 14.20876 0.1784966      0.1024108     0.1311039      0.1459371     0.2244791      0.1437493     31.71402 14.57160 36.84845 15.79635 -5.134426      21.49084 
1 1 1 8  7  98  o 49.02959 15.63228 0.3679581      0.1193078     0.4959742      0.1698472     0.2432651      0.1676282     45.95019 18.13733 32.52831 15.17684 13.42188       23.64951 
1 1 1 8  7  99  o 18.44349 9.126074 -0.5800021E-01 0.8613819E-01 -0.7584498E-01 0.1225456     -0.4057317E-01 0.1211028     20.12814 10.10138 20.85886 10.40377 -0.7307243     14.50091 
1 1 1 8  7  100 o 18.39795 9.174775 -0.2141325E-01 0.9401166E-01 0.1115810      0.1596461     -0.9201515E-01 0.1163188     21.75535 10.99462 17.79069 9.033600 3.964661       14.22981 
1 1 1 8  7  101 o 16.82122 8.555369 -0.1556148E-01 0.1074520     0.3311802      0.2529021     -0.9194351E-01 0.1186984     19.17723 9.928137 15.99237 8.201497 3.184855       12.87759 
1 1 1 8  7  102 o 15.23220 7.833304 0.1282669E-01  0.1211113     0.1191486      0.2599715     -0.1664433E-01 0.1368711     15.67081 8.150762 15.04790 7.764961 0.6229143      11.25742 
1 1 1 8  7  103 o 12.66726 6.547585 -0.6517670E-01 0.1064019     0.2150931      0.2201001     -0.1506510     0.1215486     13.86520 7.214926 12.33403 6.399044 1.531167       9.643803 
1 1 1 8  7  104 o 11.98496 6.216844 0.2014618E-01  0.1131038     -0.1964129     0.2268403     0.9179741E-01  0.1304800     11.69007 6.088012 12.31331 6.393694 -0.6232443     8.828546 
1 1 1 8  7  105 o 10.59503 5.510280 0.1298521E-01  0.1171297     0.2098846E-01  0.2317790     0.1024036E-01  0.1357374     10.61881 5.528891 10.59173 5.512832 0.2708054E-01  7.807685 
1 1 1 8  7  106 o 9.085930 4.728700 -0.4079401E-01 0.9828081E-01 -0.2248786     0.2332902     -0.1073531E-02 0.1083665     9.130838 4.748595 9.232153 4.806039 -0.1013145     6.756269 
1 1 1 8  7  107 o 7.919247 4.123832 0.1918929E-01  0.1213023     0.7829813E-01  0.2595335     0.2667889E-02  0.1372115     ?        ?        7.898103 4.111412 0.000000       4.111412 
1 1 1 8  7  108 o 6.670170 3.465921 0.5868376E-02  0.1407340     -0.1506555     0.2433544     0.8452108E-01  0.1725066     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  7  109 o 5.394310 2.803319 -0.1886343     0.8964458E-01 -0.1086750     0.1931362     -0.2105907     0.1012069     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  7  110 o ?        ?        0.2815508E-02  0.1274806     -0.3622351     0.2260573     0.1730433      0.1543680     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  7  111 o ?        ?        0.2297176      0.2537871     0.000000       0.000000      0.2297176      0.2537871     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  7  112 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  114 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  8  0   o 303.9778 23.94893 6.681834       0.9908792     0.000000       0.000000      6.681834       0.9908792     303.9778 23.94893 303.9778 23.94893 0.000000       0.000000 
1 1 1 8  8  1   o 163.9088 17.07651 1.929470       0.3808162     3.286206       0.5520948     0.6981149      0.5259657     213.4984 18.92365 96.79076 32.91622 116.7077       37.96818 
1 1 1 8  8  2   o 181.1363 16.65869 2.348235       0.4119931     2.617994       0.5860351     2.084628       0.5793154     188.4699 22.99556 166.4290 26.06409 22.04086       34.75820 
1 1 1 8  8  3   o 150.7910 17.10266 1.636126       0.3498058     0.8218281      0.4880032     2.496708       0.5016804     102.9447 31.44079 185.4582 19.90150 -82.51350      37.21012 
1 1 1 8  8  4   o 253.7191 13.43420 4.539808       0.4689786     4.361656       0.5728933     4.901722       0.8165466     247.1781 16.88622 258.4977 23.12042 -11.31960      28.63037 
1 1 1 8  8  5   o 222.9825 16.59041 3.549196       0.5071610     3.377839       0.7138991     3.723794       0.7206161     213.3534 24.68867 224.7951 23.56601 -11.44171      34.13044 
1 1 1 8  8  6   o 391.2670 13.74021 10.77911       0.7423429     10.41795       0.9029418     11.53233       1.303985      382.6266 17.09018 396.3499 23.93860 -13.72336      29.41311 
1 1 1 8  8  7   o 104.6093 23.86679 0.8293467      0.3371296     1.036943       0.4138000     0.4195320      0.5813986     116.3125 26.37246 85.80811 33.65633 30.50440       42.75810 
1 1 1 8  8  8   o 113.4868 14.11238 0.9209585      0.2163724     0.6685660      0.2627839     1.452305       0.3812848     94.59161 20.69453 140.7825 20.19199 -46.19086      28.91332 
1 1 1 8  8  9   o 58.39542 15.14931 0.2501017      0.1231989     0.2468306      0.1508103     0.2566639      0.2136047     58.40331 17.39859 61.49739 20.97637 -3.094090      27.25287 
1 1 1 8  8  10  f 60.71333 15.04848 0.2707438      0.1255234     0.3231207      0.1530443     0.1630978      0.2194046     66.16354 16.73900 55.00202 20.90850 11.16153       26.78357 
1 1 1 8  8  11  o 61.63777 14.95489 0.2790871      0.1259855     0.3729462      0.1532166     0.8314182E-01  0.2213783     71.17746 15.98072 50.10119 20.38466 21.07627       25.90208 
1 1 1 8  8  12  o 95.63434 14.27820 0.6586635      0.1827741     0.6481209      0.2223277     0.6806435      0.3210208     93.85892 17.80603 94.49969 24.42445 -0.6407700     30.22596 
1 1 1 8  8  13  o 44.47527 14.19866 0.1371505      0.9840363E-01 0.2730758      0.1185868     -0.1633829     0.1763325     61.01682 14.32085 33.19654 15.51453 27.82029       21.11368 
1 1 1 8  8  14  o 62.09190 15.15712 0.2835709      0.1288181     0.3117398      0.1567179     0.2248948      0.2261851     64.97258 17.19879 59.67303 21.49096 5.299553       27.52562 
1 1 1 8  8  15  o 92.52772 18.10957 0.6319439      0.2230922     0.6663620      0.3140285     0.5968732      0.3169923     93.49412 24.15329 88.56157 24.88863 4.932549       34.68177 
1 1 1 8  8  16  o 248.0225 16.70662 4.399328       0.5688278     3.591373       0.7919730     5.260256       0.8175233     218.0885 26.86714 267.7939 22.31166 -49.70538      34.92353 
1 1 1 8  8  17  o 76.91688 15.45054 0.4335717      0.1584009     0.7665509      0.2727617     0.2641323      0.1945728     101.4422 20.18280 61.25373 20.00224 40.18847       28.41540 
1 1 1 8  8  18  o 98.74086 18.26881 0.7188181      0.2399095     0.8956598      0.3373912     0.5379534      0.3412074     108.7606 23.17493 84.58493 26.36657 24.17569       35.10376 
1 1 1 8  8  19  o 120.9225 17.63805 1.065318       0.2858383     1.068626       0.4029239     1.061966       0.4055618     118.0903 25.45935 117.6188 25.69053 0.4715195      36.16880 
1 1 1 8  8  20  o 299.4785 16.75863 6.413495       0.6902335     6.980771       0.9873022     5.871171       0.9653433     307.5304 23.42626 280.5013 25.19212 27.02914       34.40105 
1 1 1 8  8  21  o 121.3356 13.94489 1.052387       0.2293900     0.9421130      0.2791407     1.281741       0.4025679     113.2630 18.48611 130.5690 23.17750 -17.30598      29.64680 
1 1 1 8  8  22  o 92.49351 14.65114 0.6193577      0.1808844     0.5440854      0.2200089     0.7763793      0.3177624     85.36601 19.13751 101.0080 23.26293 -15.64197      30.12321 
1 1 1 8  8  23  o 151.4873 11.73050 1.619702       0.2434622     1.754485       0.3436558     1.483891       0.3449631     156.2236 16.16468 142.9092 17.87213 13.31447       24.09792 
1 1 1 8  8  24  o 179.2895 11.69197 2.265069       0.2878704     2.085213       0.4040588     2.450463       0.4102319     169.8846 17.47388 184.8275 16.23871 -14.94295      23.85440 
1 1 1 8  8  25  o 133.4398 11.93212 1.260068       0.2175377     1.575334       0.3073276     0.9434978      0.3079628     148.2625 15.22811 112.5172 20.58012 35.74524       25.60150 
1 1 1 8  8  26  o 310.4561 11.70315 6.766232       0.5016966     6.719176       0.7072306     6.813897       0.7118039     306.3009 16.78540 308.4644 16.77464 -2.163544      23.73053 
1 1 1 8  8  27  o 92.48515 12.75632 0.6129566      0.1585697     0.7051460      0.2211095     0.5153348      0.2275311     98.08717 16.93746 82.78676 20.10456 15.30042       26.28823 
1 1 1 8  8  28  o 47.01131 13.84489 0.1589580      0.9593476E-01 0.8857367E-01  0.1317017     0.2385197      0.1400250     42.10476 16.15303 57.18806 16.69368 -15.08329      23.22928 
1 1 1 8  8  29  o 93.78070 12.61581 0.6296161      0.1592235     0.8109117      0.2247504     0.4469408      0.2256041     105.6655 15.89620 77.07497 20.74150 28.59051       26.13234 
1 1 1 8  8  30  o 212.3055 11.72691 3.174608       0.3424487     3.016737       0.4816306     3.336022       0.4870054     204.6333 17.20477 215.6147 16.48237 -10.98138      23.82588 
1 1 1 8  8  31  o 110.0043 12.34923 0.8615233      0.1843402     1.038916       0.2602669     0.6829547      0.2611282     119.7454 16.15281 95.34121 20.44836 24.40417       26.05856 
1 1 1 8  8  32  o 334.4638 11.80487 7.860059       0.5451906     7.912969       0.7705604     7.807023       0.7714722     332.2237 16.85242 329.8845 16.99411 2.339203       23.93332 
1 1 1 8  8  33  o 133.8707 12.17226 1.270465       0.2225477     1.414107       0.3139144     1.125320       0.3155519     139.8071 16.58426 123.5777 19.10895 16.22945       25.30197 
1 1 1 8  8  34  o 283.1506 11.74982 5.633605       0.4593954     5.731402       0.6496001     5.535759       0.6497662     282.6442 16.71876 277.5644 17.03570 5.079773       23.86906 
1 1 1 8  8  35  o 116.4056 12.38686 0.9642017      0.1960419     0.7640877      0.2752367     1.170265       0.2792982     100.8985 20.45547 127.0973 16.28938 -26.19883      26.14900 
1 1 1 8  8  36  o 94.02362 12.82365 0.6341593      0.1621473     0.6273926      0.2295633     0.6408963      0.2290594     91.73705 18.75549 92.81635 18.52156 -1.079300      26.35937 
1 1 1 8  8  37  o 244.2292 11.73683 4.193091       0.3958096     4.387105       0.5606565     4.000314       0.5588664     247.1681 16.52250 235.5366 17.30466 11.63150       23.92580 
1 1 1 8  8  38  o 92.88358 13.22594 0.6207610      0.1648391     0.7048928      0.2327423     0.5360842      0.2334950     97.61613 17.92761 84.24757 20.30922 13.36856       27.08992 
1 1 1 8  8  39  o 55.15180 14.75494 0.2236145      0.1145658     0.3374729      0.1607030     0.1059442      0.1633710     67.32449 17.21835 46.34383 17.93394 20.98066       24.86157 
1 1 1 8  8  40  o 80.97084 13.82321 0.4762743      0.1490045     0.4981194      0.2091453     0.4537567      0.2123393     81.46506 18.94986 77.59278 19.76396 3.872276       27.38086 
1 1 1 8  8  41  o 37.48310 13.70980 0.8156304E-01  0.9255506E-01 0.7232498E-01  0.1263874     0.9224669E-01  0.1359168     40.12199 15.70461 42.75396 16.40773 -2.631969      22.71230 
1 1 1 8  8  42  o 53.69447 14.79443 0.2114501      0.1131994     0.2013697      0.1546406     0.2230876      0.1661552     53.85802 17.84389 56.35305 18.48793 -2.495029      25.69451 
1 1 1 8  8  43  o 243.0514 11.88766 4.157991       0.3989628     4.341826       0.5645499     3.974588       0.5638877     245.5652 16.74933 234.4374 17.54643 11.12779       24.25731 
1 1 1 8  8  44  o 87.59048 14.03114 0.5565318      0.1639738     0.4757197      0.2297150     0.6404847      0.2341363     79.22657 20.75115 92.53212 18.96200 -13.30555      28.10992 
1 1 1 8  8  45  o 124.7423 12.75752 1.109314       0.2166524     1.256636       0.3066926     0.9625669      0.3060939     131.1904 17.35639 113.4193 20.28959 17.77111       26.70041 
1 1 1 8  8  46  o 256.8545 11.93258 4.646306       0.4232135     4.722538       0.5990105     4.570326       0.5980192     255.8500 17.05322 251.5032 17.32571 4.346771       24.31034 
1 1 1 8  8  47  o 82.45395 14.83618 0.4974745      0.1627051     0.5403143      0.2319577     0.4559804      0.2282858     84.47260 20.16556 77.53953 20.86353 6.933067       29.01614 
1 1 1 8  8  48  o 60.99813 16.02734 0.2759990      0.1367523     0.4281675      0.1973113     0.1353339      0.1897067     75.39069 18.96955 50.54226 19.38733 24.84842       27.12402 
1 1 1 8  8  49  o 154.6806 12.64073 1.701171       0.2676294     1.682542       0.3798606     1.719534       0.3771246     151.3583 18.56441 153.2155 18.18035 -1.857147      25.98389 
1 1 1 8  8  50  o 171.4271 12.44736 2.086450       0.2926324     2.055874       0.4133918     2.117160       0.4142990     167.6137 18.15134 170.2526 17.89068 -2.638870      25.48623 
1 1 1 8  8  51  o 307.1783 12.09652 6.662193       0.5130845     7.354954       1.062954      6.451751       0.5858551     311.0171 24.96126 301.0999 14.09100 9.917267       28.66393 
1 1 1 8  8  52  o 96.49647 12.75064 0.6699979      0.1657343     0.9477045      0.2653321     0.4923266      0.2122292     113.2856 17.52799 80.56894 19.32510 32.71667       26.09004 
1 1 1 8  8  53  o 31.75432 12.08913 0.5099520E-01  0.7341706E-01 0.6023029E-02  0.1002013     0.1031222      0.1078780     31.32239 13.30139 41.08090 14.83529 -9.758509      19.92518 
1 1 1 8  8  54  o 36.36013 13.36332 0.7663919E-01  0.8808748E-01 0.9893031E-01  0.1112766     0.3922571E-01  0.1441624     40.91716 15.02243 39.33322 16.27422 1.583942       22.14777 
1 1 1 8  8  55  o 74.00140 13.74817 0.4023190      0.1353112     0.3758059      0.1831524     0.4341805      0.2007778     70.33736 18.58034 75.40950 19.22409 -5.072136      26.73564 
1 1 1 8  8  56  o 42.20452 13.35152 0.1260644      0.8716403E-01 0.4577905E-01  0.1294908     0.1925805      0.1178649     38.06640 15.55074 51.27464 15.40540 -13.20824      21.88954 
1 1 1 8  8  57  o 43.92524 13.82468 0.1377706      0.9355114E-01 0.2683362      0.1401541     0.3285384E-01  0.1256359     59.71738 16.46513 36.58791 15.16986 23.12948       22.38806 
1 1 1 8  8  58  o 128.7917 10.51236 1.180334       0.1853197     1.214662       0.2631342     1.146551       0.2610415     128.6970 15.09376 124.8088 15.47922 3.888161       21.62008 
1 1 1 8  8  59  o 217.5468 9.871481 3.343056       0.2965330     3.043591       0.4175232     3.647853       0.4212233     204.1833 14.91202 224.5907 13.64727 -20.40738      20.21426 
1 1 1 8  8  60  o 70.89909 13.88933 0.3749747      0.1311114     0.3628625      0.1860768     0.3869173      0.1847692     68.27830 19.02669 70.51656 18.67868 -2.238258      26.66286 
1 1 1 8  8  61  o 125.3035 10.75712 1.125681       0.1843173     1.197621       0.2612283     1.054359       0.2601033     127.0275 15.19464 118.4685 16.33471 8.559006       22.30919 
1 1 1 8  8  62  f 289.5648 11.12465 6.000393       0.4448054     6.798024       0.7193500     5.506630       0.5659764     300.2484 17.42584 273.0799 15.06796 27.16855       23.03700 
1 1 1 8  8  63  o 103.9456 13.35081 0.7984897      0.1871955     1.140397       0.3105591     0.6033722      0.2346057     120.6209 19.29635 86.72570 19.99943 33.89523       27.79076 
1 1 1 8  8  64  o 164.1929 10.38191 1.936106       0.2341679     2.126688       0.3305203     1.744034       0.3318103     169.2789 14.27341 151.7991 16.07464 17.47975       21.49708 
1 1 1 8  8  65  o 22.13740 9.965607 -0.2800059E-01 0.6402040E-01 -0.1413601E-01 0.8984967E-01 -0.4229866E-01 0.9124346E-01 27.75574 12.18635 26.06734 11.80077 1.688396       16.96365 
1 1 1 8  8  66  o 140.6937 10.72007 1.433312       0.2066947     1.334425       0.2918485     1.532827       0.2927746     131.7715 16.39420 142.3598 15.12558 -10.58835      22.30589 
1 1 1 8  8  67  o 63.81966 14.55278 0.3150521      0.1253998     0.3728730      0.1794654     0.2598889      0.1752924     67.75224 18.61166 57.43142 18.99663 10.32082       26.59447 
1 1 1 8  8  68  o 41.62473 13.52820 0.1269691      0.8904219E-01 0.1854683      0.1287385     0.7331891E-01  0.1232876     49.46194 16.27593 38.61039 15.38517 10.85156       22.39664 
1 1 1 8  8  69  o 93.37399 11.94042 0.6464494      0.1504256     0.6291651      0.2148573     0.6630670      0.2106723     88.31441 18.22351 91.32908 17.33971 -3.014671      25.15475 
1 1 1 8  8  70  o 73.58971 12.92201 0.4100670      0.1265156     0.4059265      0.1804960     0.4140660      0.1773848     70.39996 18.37247 71.30151 18.01124 -0.9015503     25.72844 
1 1 1 8  8  71  o 52.27753 15.48415 0.2140638      0.1197037     0.3713931      0.1704372     0.6091242E-01  0.1681591     67.42994 17.97713 41.53042 17.41085 25.89952       25.02629 
1 1 1 8  8  72  o 163.5411 13.82423 2.015235       0.3092562     2.229453       0.4398549     1.805820       0.4348959     165.3777 19.64601 145.6336 22.33954 19.74403       29.74930 
1 1 1 8  8  73  o 65.14056 18.63816 0.3504877      0.1761253     0.5506148      0.2517765     0.1587137      0.2464660     79.33188 22.14117 52.20575 21.40505 27.12613       30.79623 
1 1 1 8  8  74  o 71.12173 18.73911 0.4188876      0.1866076     0.3360330      0.2616071     0.5047162      0.2662606     63.36237 23.06835 75.22149 23.26592 -11.85912      32.76357 
1 1 1 8  8  75  o 41.27497 16.02369 0.1000792      0.1307461     0.1655452      0.2100125     0.5864707E-01  0.1670729     50.85407 20.13794 41.25235 17.32748 9.601719       26.56648 
1 1 1 8  8  76  o 120.6667 16.61587 1.142183       0.2695100     0.5418004      0.5108279     1.373766       0.3172585     74.98765 30.78902 131.1795 17.98872 -56.19181      35.65891 
1 1 1 8  8  77  f 54.23670 18.20064 0.2319580      0.1607881     0.2846788      0.3453486     0.2173671      0.1816805     62.09668 25.38484 53.42173 19.25843 8.674950       31.86341 
1 1 1 8  8  78  o 49.69086 17.51758 0.1855241      0.1495161     0.5159479E-01  0.2960128     0.2313961      0.1732393     49.83455 21.99088 54.29987 18.87455 -4.465313      28.98012 
1 1 1 8  8  79  o 32.37228 13.52667 0.2932271E-01  0.1010043     -0.1390476     0.2117839     0.7889456E-01  0.1149153     36.19290 16.94294 38.03135 14.94828 -1.838448      22.59456 
1 1 1 8  8  80  o 38.02752 14.92791 0.8049063E-01  0.1144667     0.3154876E-01  0.1643138     0.1266369      0.1595519     39.06712 16.82086 44.99619 17.63614 -5.929062      24.37159 
1 1 1 8  8  81  o 48.26777 17.46277 0.1757978      0.1495744     0.2138559      0.1901895     0.1140962      0.2421648     52.54076 19.57466 48.67123 20.67378 3.869534       28.47055 
1 1 1 8  8  82  o 86.44189 18.19482 0.6296837      0.2103041     0.6292108      0.2607875     0.6305634      0.3556375     82.42049 22.35089 77.15506 27.03046 5.265427       35.07432 
1 1 1 8  8  83  o 61.39739 17.60637 0.3242050      0.1570022     0.1905029      0.2203566     0.4620586      0.2237516     50.72211 20.44423 70.38243 21.24371 -19.66032      29.48324 
1 1 1 8  8  84  o 104.3626 15.40245 0.8902361      0.2152878     0.7627493      0.3053203     1.016301       0.3036129     85.61821 24.55259 103.9040 21.85440 -18.28578      32.87012 
1 1 1 8  8  85  o 70.35535 17.95919 0.4454167      0.1750640     0.2739619      0.2476690     0.6166197      0.2474869     54.19345 21.73370 78.38004 21.97876 -24.18658      30.90986 
1 1 1 8  8  86  o 132.5706 14.58161 1.460276       0.2625141     1.450171       0.3700810     1.470510       0.3724320     117.5720 23.61576 118.4515 23.59906 -0.8794937     33.38592 
1 1 1 8  8  87  o 51.77795 18.53178 0.2639342      0.1679372     0.4285066      0.2729768     0.1637166      0.2130195     59.18943 23.10444 45.14262 19.28729 14.04681       30.09676 
1 1 1 8  8  88  o 36.04702 15.22074 0.8046838E-01  0.1300140     0.1258861      0.2120621     0.5311476E-01  0.1645727     41.90052 18.54514 36.40338 16.21260 5.497143       24.63272 
1 1 1 8  8  89  o 22.58349 10.73086 -0.7208388E-01 0.9091420E-01 -0.1440630     0.1222749     0.1690172E-01  0.1359546     23.75237 11.57014 31.72779 14.38027 -7.975414      18.45699 
1 1 1 8  8  90  o 36.94558 14.48035 0.1281166      0.1075585     0.2335972      0.1448672     -0.1457623E-02 0.1605622     45.03045 17.02032 31.43400 14.72703 13.59645       22.50725 
1 1 1 8  8  91  o 33.49479 14.69758 0.9889859E-01  0.1305283     0.1875293      0.1746484     -0.1325282E-01 0.1964604     38.45779 16.93509 31.21453 15.07716 7.243259       22.67417 
1 1 1 8  8  92  o 57.38400 19.67763 0.5517648      0.1879864     0.3592702      0.2582571     0.7686978      0.2741611     39.12502 18.43900 53.48473 22.31163 -14.35971      28.94487 
1 1 1 8  8  93  o 53.92649 19.57985 0.5944073      0.1882829     0.6574681      0.2617666     0.5268099      0.2710189     43.30273 19.75274 38.43062 18.33548 4.872112       26.95108 
1 1 1 8  8  94  o 18.79517 9.308220 -0.8637680E-01 0.9033568E-01 -0.1039505     0.1216303     -0.6475733E-01 0.1349066     20.66106 10.32389 22.27291 11.08831 -1.611845      15.15036 
1 1 1 8  8  95  o 19.24249 9.583733 -0.5384867E-01 0.1012191     -0.4529366E-01 0.1262717     -0.6922770E-01 0.1693012     20.54167 10.30127 21.31227 10.82950 -0.7705956     14.94638 
1 1 1 8  8  96  o 20.53851 10.32094 0.6794754E-01  0.1300670     0.4874945E-01  0.1613092     0.1036253      0.2199017     20.22003 10.30290 20.69999 10.64032 -0.4799614     14.81102 
1 1 1 8  8  97  o 18.14785 9.227787 0.8784340E-01  0.1244252     0.2066410E-01  0.1540648     0.2138431      0.2109942     17.28370 8.885567 18.45177 9.526368 -1.168072      13.02709 
1 1 1 8  8  98  o 16.22112 8.406470 0.2570611      0.1933065     0.5437770E-01  0.2857543     0.4280721      0.2624797     15.26814 7.947019 16.18877 8.417081 -0.9206295     11.57594 
1 1 1 8  8  99  o 13.64977 7.097095 0.1376202      0.1879622     0.3537109      0.2925265     -0.1433352E-01 0.2453029     13.73186 7.151274 13.24810 6.898241 0.4837570      9.936118 
1 1 1 8  8  100 o 11.23560 5.814069 -0.5819688E-01 0.8544282E-01 -0.3864565     0.1823273     0.3417762E-01  0.9672062E-01 11.13889 5.800704 12.06088 6.234425 -0.9219885     8.515646 
1 1 1 8  8  101 f 10.43739 5.433182 -0.5324814E-01 0.1363868     -0.3719668E-01 0.2290560     -0.6206482E-01 0.1697606     10.57967 5.508324 10.48995 5.462923 0.8971596E-01  7.757909 
1 1 1 8  8  102 o 9.571532 4.983109 0.2220884      0.1955874     0.1195822      0.3009729     0.2970224      0.2573307     ?        ?        9.530398 4.955678 0.000000       4.955678 
1 1 1 8  8  103 o ?        ?        -0.6731375E-01 0.2288940     -0.6731375E-01 0.2288940     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  104 o ?        ?        0.7830434E-01  0.2698335     0.7830434E-01  0.2698335     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  105 o ?        ?        0.2706087      0.2021358     0.3234747      0.3204079     0.2356578      0.2605217     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  106 o ?        ?        -0.3335422E-01 0.1269671     -0.7145996E-01 0.2282529     -0.1628055E-01 0.1527863     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  107 o ?        ?        -0.7420849E-01 0.9577878E-01 -0.2757361     0.2025629     -0.1617849E-01 0.1086973     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  108 o ?        ?        0.3280967      0.2755805     0.000000       0.000000      0.3280967      0.2755805     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  8  109 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  8  110 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  0   o 56.81931 27.23195 0.3410029      0.2460948     0.000000       0.000000      0.3410029      0.2460948     56.81931 27.23195 56.81931 27.23195 0.000000       0.000000 
1 1 1 8  9  1   o 109.0277 17.99100 0.8734761      0.2614025     0.4029969      0.3643345     1.372611       0.3752658     76.52755 27.30565 136.1481 20.60564 -59.62057      34.20806 
1 1 1 8  9  2   o 221.5979 24.32887 3.674366       0.7321839     0.000000       0.000000      3.674366       0.7321839     ?        ?        221.5979 24.32887 0.000000       24.32887 
1 1 1 8  9  3   o 70.60332 22.77647 0.3623489      0.2527127     0.000000       0.000000      0.3623489      0.2527127     ?        ?        70.60332 22.77647 0.000000       22.77647 
1 1 1 8  9  4   o 121.3624 17.58544 1.075319       0.2861106     0.9855371      0.4010212     1.168400       0.4083207     112.7067 26.25577 123.6007 24.78710 -10.89396      36.10769 
1 1 1 8  9  5   o 102.2606 25.02330 0.8067788      0.3504556     0.000000       0.000000      0.8067788      0.3504556     ?        ?        102.2606 25.02330 0.000000       25.02330 
1 1 1 8  9  6   o 92.61665 24.88100 0.6604039      0.3249719     0.000000       0.000000      0.6604039      0.3249719     ?        ?        92.61665 24.88100 0.000000       24.88100 
1 1 1 8  9  7   o 99.19604 18.24698 0.7273893      0.2407231     0.5114082      0.3380752     0.9495050      0.3428426     82.52938 26.31460 111.8683 22.96405 -29.33891      34.92572 
1 1 1 8  9  8   o 158.5137 17.35745 1.819334       0.3737087     1.219100       0.5254703     2.433632       0.5315906     123.4181 30.90323 181.4137 21.64877 -57.99554      37.73167 
1 1 1 8  9  9   f 135.3127 17.52978 1.332116       0.3198332     1.954167       0.4577144     0.7385879      0.4470974     162.7305 20.84929 97.17269 30.16404 65.55776       36.66827 
1 1 1 8  9  10  o 180.5815 13.69783 2.317059       0.3390127     2.083184       0.4124952     2.803802       0.5950813     169.4772 17.89736 194.2884 22.60404 -24.81114      28.83155 
1 1 1 8  9  11  o 91.73994 14.91112 0.6113681      0.1824023     0.7916742      0.2240165     0.2566723      0.3141975     104.2970 16.07118 66.08149 25.04458 38.21555       29.75759 
1 1 1 8  9  12  o 148.2329 13.76398 1.565818       0.2785101     1.505816       0.3396400     1.688988       0.4866155     144.0043 17.43601 149.3346 24.44468 -5.330307      30.02593 
1 1 1 8  9  13  o 153.7802 13.67607 1.683749       0.2873712     1.678047       0.3504295     1.695456       0.5021462     152.3041 16.95046 149.1725 25.28119 3.131668       30.43775 
1 1 1 8  9  14  o 167.1355 13.59398 1.986146       0.3110095     1.873290       0.3783621     2.221251       0.5461066     160.8533 17.30727 172.1029 23.60168 -11.24959      29.26740 
1 1 1 8  9  15  o 144.3782 13.76273 1.486355       0.2710530     1.584434       0.3309648     1.286570       0.4723622     148.1275 16.45942 128.4550 27.46296 19.67247       32.01760 
1 1 1 8  9  16  o 165.6742 13.70152 1.952968       0.3106321     1.848837       0.3781196     2.169135       0.5447944     159.7195 17.42768 169.8446 23.89002 -10.12511      29.57123 
1 1 1 8  9  17  o 92.05503 14.82992 0.6154482      0.1821019     0.6442524      0.2209226     0.5543977      0.3216304     93.31824 17.79440 85.17906 25.41594 8.139175       31.02597 
1 1 1 8  9  18  o 64.35489 15.63249 0.3063329      0.1375377     0.3812317      0.1665743     0.1458832      0.2438038     71.59398 17.08714 55.34028 21.76631 16.25370       27.67205 
1 1 1 8  9  19  o 134.3013 12.12431 1.278815       0.2224164     1.269563       0.3106255     1.288548       0.3186154     131.9977 17.47188 132.8629 17.81575 -0.8652954     24.95331 
1 1 1 8  9  20  o 156.5523 11.93362 1.733043       0.2560272     1.630983       0.3573391     1.840701       0.3670087     149.7874 17.61333 159.5274 16.91933 -9.739990      24.42321 
1 1 1 8  9  21  o 192.5666 11.80084 2.616285       0.3122713     2.723432       0.4390572     2.506600       0.4442247     194.5338 16.50070 186.1107 17.49116 8.423050       24.04608 
1 1 1 8  9  22  o 233.7756 11.77366 3.851459       0.3788384     3.617687       0.5306735     4.094411       0.5409923     223.9335 17.29616 238.7502 16.51144 -14.81674      23.91202 
1 1 1 8  9  23  o 120.5395 12.25484 1.033005       0.2011375     1.076687       0.2797998     0.9862918      0.2893428     121.4754 17.15862 115.5730 18.77523 5.902397       25.43477 
1 1 1 8  9  24  o 182.6185 11.83122 2.354707       0.2967361     2.256044       0.4156282     2.457280       0.4237872     176.5471 17.27047 184.5307 16.81651 -7.983582      24.10527 
1 1 1 8  9  25  o 131.7150 12.06680 1.230714       0.2170257     1.315323       0.3052344     1.144209       0.3086351     134.5893 16.78935 124.7575 18.47448 9.831841       24.96375 
1 1 1 8  9  26  f 113.1752 12.30832 0.9122667      0.1892470     1.009764       0.2658184     0.8120572      0.2694907     117.6606 16.84167 104.3851 19.41125 13.27548       25.69899 
1 1 1 8  9  27  o 170.1141 11.82436 2.044962       0.2760253     2.024104       0.3875147     2.066443       0.3932663     167.2167 17.02031 168.9388 17.09376 -1.722076      24.12235 
1 1 1 8  9  28  o 196.9310 11.78920 2.737238       0.3191061     2.801368       0.4497522     2.672228       0.4528320     197.1186 16.68023 192.2137 17.24483 4.904877       23.99196 
1 1 1 8  9  29  o 201.0624 11.89463 2.854239       0.3287634     3.052007       0.4655146     2.657440       0.4643708     205.8688 16.51491 191.3949 17.77394 14.47386       24.26222 
1 1 1 8  9  30  o 186.8285 11.88011 2.465779       0.3048874     2.197243       0.4265455     2.746301       0.4359603     173.7546 18.04135 195.3061 16.31504 -21.55145      24.32429 
1 1 1 8  9  31  o 138.6166 12.17411 1.363368       0.2306577     1.370271       0.3236750     1.356246       0.3287834     137.0539 17.50300 136.1681 17.92162 0.8858185      25.05074 
1 1 1 8  9  32  o 127.0338 12.25063 1.147086       0.2122256     1.148111       0.2990340     1.146046       0.3012429     125.1596 17.80482 124.9767 17.97329 0.1829681      25.29923 
1 1 1 8  9  33  o 179.3921 11.93821 2.275229       0.2940312     2.366750       0.4154188     2.183351       0.4162281     180.9383 16.81968 173.3458 17.63479 7.592484       24.36981 
1 1 1 8  9  34  o 172.6159 11.95777 2.107680       0.2832600     2.223008       0.4000414     1.991717       0.4011411     175.3388 16.72582 165.3731 17.84991 9.965652       24.46165 
1 1 1 8  9  35  o 115.6454 12.63691 0.9544932      0.1985092     1.018220       0.2800096     0.8901027      0.2814648     117.7100 17.78175 109.3100 19.35616 8.400040       26.28406 
1 1 1 8  9  36  o 160.2658 12.13809 1.820114       0.2666211     1.931895       0.3772634     1.708575       0.3768553     163.1903 16.99136 152.8253 18.21737 10.36502       24.91142 
1 1 1 8  9  37  o 163.3029 12.11902 1.889710       0.2713255     1.963037       0.3830873     1.815904       0.3843403     164.4111 17.12576 157.6797 17.97350 6.731400       24.82617 
1 1 1 8  9  38  o 180.1088 12.09521 2.297071       0.2990606     2.158095       0.4199905     2.440013       0.4259434     172.0000 17.94806 183.4724 17.00626 -11.47240      24.72540 
1 1 1 8  9  39  o 141.1953 12.40251 1.417887       0.2393556     1.518187       0.3372245     1.316054       0.3397900     144.2356 17.27579 133.4279 18.97758 10.80763       25.66323 
1 1 1 8  9  40  o 118.8578 12.72422 1.009722       0.2055876     1.278582       0.2928303     0.7483873      0.2887031     132.5550 16.34480 98.95438 21.72434 33.60066       27.18638 
1 1 1 8  9  41  o 91.22012 16.62460 0.6153567      0.2016863     0.5978724      0.2412808     0.6559069      0.3674478     88.71653 20.15461 91.17808 27.15691 -2.461548      33.81873 
1 1 1 8  9  42  o 59.67344 17.37759 0.2635511      0.1518949     0.2888939      0.1788608     0.1979942      0.2876719     62.51862 19.02119 60.74173 23.71602 1.776894       30.40156 
1 1 1 8  9  43  o 181.9462 18.43280 2.432484       0.4567064     3.052757       0.6555786     1.847603       0.6366001     199.8618 24.25185 149.7674 31.76755 50.09438       39.96660 
1 1 1 8  9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  46  o 114.0408 18.44909 0.9730358      0.2805969     0.8694326      0.3930563     1.080709       0.4007019     103.5423 27.15570 116.5281 25.60237 -12.98585      37.32175 
1 1 1 8  9  47  o 99.88129 15.68896 0.7360982      0.2092474     0.7870431      0.3460906     0.7067460      0.2626998     99.04392 25.23443 95.83839 20.47278 3.205536       32.49479 
1 1 1 8  9  48  o 59.40193 16.43518 0.2651929      0.1393626     0.2843820      0.1957845     0.2454839      0.1984189     61.95734 20.05389 58.81863 20.21359 3.138706       28.47364 
1 1 1 8  9  49  o 155.2495 12.62697 1.731583       0.2683415     1.964808       0.3822720     1.505020       0.3767722     162.7856 17.27043 140.6766 19.95571 22.10896       26.39125 
1 1 1 8  9  50  o 118.9226 13.50061 1.028484       0.2177662     1.211361       0.3099633     0.8502421      0.3060105     126.7142 18.24092 103.7994 22.03181 22.91483       28.60300 
1 1 1 8  9  51  o 230.6127 12.41422 3.818660       0.3938569     4.569743       0.5644931     3.106185       0.5497934     248.7208 16.53059 201.8540 19.98804 46.86679       25.93805 
1 1 1 8  9  52  f 152.8978 13.09719 1.696250       0.2738453     1.874613       0.3910460     1.524603       0.3836124     157.2805 18.35093 140.2471 20.40742 17.03336       27.44485 
1 1 1 8  9  53  o 62.09552 16.61633 0.2964461      0.1452755     0.2566451      0.2088474     0.3337590      0.2022144     59.20341 20.71554 65.37131 20.28485 -6.167896      28.99325 
1 1 1 8  9  54  o 132.5958 13.39293 1.288717       0.2418521     1.040012       0.3404187     1.542190       0.3436656     113.2018 22.57005 142.0911 17.91399 -28.88928      28.81524 
1 1 1 8  9  55  o 170.6973 12.90345 2.126753       0.3018917     2.159784       0.4266813     2.093642       0.4271978     167.1268 18.81659 164.1693 19.20826 2.957596       26.88905 
1 1 1 8  9  56  o 67.51640 17.09264 0.3575142      0.1595041     0.6323784      0.2225758     0.6733046E-01  0.2286944     89.42743 18.62950 47.55608 20.13941 41.87135       27.43454 
1 1 1 8  9  57  o 123.4884 11.96325 1.114402       0.2014342     1.214391       0.3262728     1.052817       0.2560608     123.4558 19.80940 117.3761 16.23339 6.079781       25.61123 
1 1 1 8  9  58  o 123.9072 10.55886 1.110680       0.1789322     1.255301       0.2519999     0.9636282      0.2541098     129.3870 14.34646 111.4185 17.05995 17.96850       22.29042 
1 1 1 8  9  59  o 97.55269 11.28753 0.6969364      0.1492381     0.7669614      0.2100317     0.6255304      0.2120925     99.86195 15.75393 88.68460 17.93594 11.17735       23.87225 
1 1 1 8  9  60  o 125.6321 10.61028 1.145486       0.1823408     1.303846       0.2572604     0.9856183      0.2584816     131.5062 14.40290 112.1838 17.23789 19.32234       22.46305 
1 1 1 8  9  61  f 64.43953 13.87784 0.3191809      0.1198352     0.3080618      0.1687132     0.3305025      0.1702424     61.71666 18.40614 63.82590 18.34276 -2.109241      25.98543 
1 1 1 8  9  62  o 38.89156 11.65477 0.1122881      0.6752422E-01 0.2226015      0.9677289E-01 0.7620775E-02  0.9426387E-01 53.85389 13.13184 29.91248 12.80648 23.94141       18.34261 
1 1 1 8  9  63  o 80.66801 11.90683 0.4848655      0.1286410     0.4212913      0.1818056     0.5486082      0.1820462     71.79732 18.28788 83.37825 16.39647 -11.58093      24.56198 
1 1 1 8  9  64  o 83.54122 12.19124 0.5217095      0.1364905     0.3176770      0.1939900     0.7217392      0.1920777     62.01567 19.95021 96.87578 14.83105 -34.86011      24.85902 
1 1 1 8  9  65  f 126.9447 12.15171 1.194315       0.2104024     1.087448       0.3444483     1.257923       0.2657418     111.8525 23.06792 127.7957 15.36743 -15.94321      27.71799 
1 1 1 8  9  66  o 59.89707 17.76877 0.2911721      0.1575414     0.3081072      0.2259722     0.2751565      0.2197525     61.16230 21.53843 58.67729 21.17616 2.485008       30.20486 
1 1 1 8  9  67  o 24.57405 11.49294 -0.8246349E-01 0.9705384E-01 -0.2714126     0.1351884     0.1184971      0.1394191     23.42929 11.56321 43.42563 16.62908 -19.99634      20.25424 
1 1 1 8  9  68  o 43.58729 14.82324 0.1390537      0.1066655     0.1254840      0.1910522     0.1451988      0.1285691     47.23867 19.03770 45.19879 16.21080 2.039883       25.00448 
1 1 1 8  9  69  o 44.98196 15.32514 0.1490938      0.1140129     0.4681437E-01  0.2013406     0.1973715      0.1383282     43.39224 18.65069 50.62663 16.88147 -7.234390      25.15616 
1 1 1 8  9  70  o 43.14832 14.94822 0.1341379      0.1086171     0.2894732      0.1925567     0.6164731E-01  0.1315420     59.54774 19.91802 38.29338 15.66187 21.25436       25.33815 
1 1 1 8  9  71  o 52.17337 17.17784 0.2125992      0.1433942     1.014255       0.3687459     0.6977507E-01  0.1556446     104.9803 25.65527 40.98738 16.93030 63.99294       30.73805 
1 1 1 8  9  72  o 59.39874 18.25669 0.2882122      0.1642433     0.1808884      0.3748788     0.3137070      0.1827129     58.47200 25.29077 61.52008 19.31354 -3.048080      31.82194 
1 1 1 8  9  73  o 64.94800 16.62831 0.3413131      0.1497654     0.2272833      0.2360701     0.4181208      0.1937466     55.46956 21.53208 70.41927 19.33542 -14.94971      28.93940 
1 1 1 8  9  74  o 50.73958 14.88703 0.2030433      0.1111049     -0.1989831     0.1727160     0.4868465      0.1451155     30.03989 14.41391 79.46503 13.72114 -49.42514      19.90051 
1 1 1 8  9  75  o 48.98784 15.44422 0.1895223      0.1167069     0.2376397      0.1529439     0.1224504      0.1805725     54.01308 17.73855 45.70666 18.47729 8.306423       25.61379 
1 1 1 8  9  76  o 50.17244 16.07471 0.2025691      0.1260396     0.3761359      0.1725223     0.3888779E-02  0.1845820     66.38334 18.25323 38.93320 17.26338 27.45014       25.12379 
1 1 1 8  9  77  o 135.3845 12.03109 1.389846       0.2225679     1.514762       0.3444979     1.300351       0.2915930     132.6590 19.37827 125.2671 17.32131 7.391945       25.99126 
1 1 1 8  9  78  o 35.14106 14.03232 0.6823175E-01  0.1027577     0.1318972      0.1483269     0.9477425E-02  0.1424913     43.44785 17.01130 34.74697 15.29903 8.700878       22.87891 
1 1 1 8  9  79  o 94.38647 12.64603 0.6997336      0.1606732     0.6087707      0.2275876     0.7901213      0.2268667     80.19013 20.48071 94.96362 17.95907 -14.77349      27.23945 
1 1 1 8  9  80  o 52.60858 15.58059 0.2403548      0.1212042     0.3096675      0.1692864     0.1674542      0.1736127     57.33223 18.65416 45.81207 18.25643 11.52015       26.10125 
1 1 1 8  9  81  o 54.30421 16.79745 0.2715285      0.1387856     0.2536421      0.2148569     0.2843348      0.1818030     50.95021 20.30779 53.63571 19.27264 -2.685505      27.99716 
1 1 1 8  9  82  o 58.15638 16.76194 0.3213654      0.1419777     0.1863816      0.2153469     0.4251529      0.1888297     45.68462 19.45238 63.59872 19.58017 -17.91411      27.60033 
1 1 1 8  9  83  o 64.07921 15.46390 0.3826984      0.1352611     0.4962697      0.1862801     0.2560366      0.1967230     68.17221 19.05126 48.08908 19.34006 20.08313       27.14753 
1 1 1 8  9  84  o 43.68130 15.83700 0.1928967      0.1231148     0.1138398      0.1555654     0.3254017      0.2013999     37.68082 16.29498 50.27613 19.78035 -12.59531      25.62789 
1 1 1 8  9  85  o 73.90222 18.22842 0.6223959      0.1848549     0.5536038      0.2551458     0.6984019      0.2681902     56.11592 22.20452 63.13074 23.29897 -7.014820      32.18513 
1 1 1 8  9  86  o 59.21727 18.57381 0.4761947      0.1690275     0.3526792      0.2332159     0.6128701      0.2453256     43.18835 19.26223 55.18488 21.79302 -11.99653      29.08555 
1 1 1 8  9  87  o 36.94905 15.47007 0.1932953      0.1324873     0.1994443      0.1815207     0.1862852      0.1938134     35.37772 16.25359 34.61953 16.20696 0.7581940      22.95310 
1 1 1 8  9  88  o 45.31676 17.81530 0.4162843      0.1632532     0.3641795      0.2257177     0.4734389      0.2364026     35.81947 16.98754 38.53045 17.99270 -2.710983      24.74498 
1 1 1 8  9  89  o 26.47761 12.47144 0.8666743E-01  0.1178400     -0.3038346E-01 0.1608489     0.2222745      0.1731298     23.80437 11.89118 30.19884 14.47452 -6.394463      18.73265 
1 1 1 8  9  90  o 25.76480 12.57865 0.1654630      0.1468412     0.2614037      0.1802674     -0.2373623E-01 0.2531487     26.96688 13.31728 22.68987 11.65575 4.277000       17.69764 
1 1 1 8  9  91  o 20.05338 10.03009 0.4332635E-01  0.1160860     0.1398724      0.1417267     -0.1534893     0.2023552     21.91215 10.97776 18.78407 9.682279 3.128077       14.63754 
1 1 1 8  9  92  o 19.80967 10.07755 0.2190249      0.1497057     0.1339727      0.1824796     0.3941120      0.2618174     18.38187 9.461381 19.08562 9.887453 -0.7037449     13.68501 
1 1 1 8  9  93  o ?        ?        -0.3458218     0.5387046E-01 -0.1126894     0.1089184     -0.4213202     0.6198249E-01 13.85168 7.138103 ?        ?        0.000000       7.138103 
1 1 1 8  9  94  o 11.89936 6.163398 -0.1706486     0.1004875     -0.4360020E-01 0.1606435     -0.2523175     0.1287973     13.32675 6.923190 12.08731 6.277806 1.239430       9.345663 
1 1 1 8  9  95  o 12.54333 6.525959 0.1222230      0.1735997     0.2520948      0.2563797     0.1226167E-01  0.2359100     12.56393 6.543406 12.25674 6.383052 0.3071880      9.141089 
1 1 1 8  9  96  o 11.37504 5.923610 0.2499512      0.1971524     0.1071011      0.2859243     0.3794283      0.2722120     11.07817 5.766085 11.30957 5.888032 -0.2313986     8.241157 
1 1 1 8  9  97  o 9.206324 4.790000 -0.1199750     0.9498079E-01 -0.3363625     0.1592294     -0.4531424E-03 0.1183398     9.241990 4.812747 9.714675 5.056989 -0.4726849     6.981093 
1 1 1 8  9  98  o 8.351009 4.345356 -0.1245513     0.1717959     -0.1245513     0.1717959     0.000000       0.000000      8.351009 4.345356 ?        ?        0.000000       4.345356 
1 1 1 8  9  99  f ?        ?        0.2447642      0.2894264     0.2447642      0.2894264     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  9  100 o ?        ?        0.9737469E-01  0.2533183     0.9737469E-01  0.2533183     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  9  101 f ?        ?        0.5145845E-01  0.2388655     0.5145845E-01  0.2388655     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  9  102 o ?        ?        -0.2749465E-01 0.2168757     -0.2749465E-01 0.2168757     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  9  103 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 0   o 129.5459 29.27129 1.373253       0.4567232     0.000000       0.000000      1.373253       0.4567232     129.5459 29.27129 129.5459 29.27129 0.000000       0.000000 
1 1 1 8  10 1   o 122.3180 17.67511 1.096401       0.2898729     1.587203       0.4125629     0.6178736      0.4073708     146.0000 21.07459 89.49985 28.92274 56.50015       35.78635 
1 1 1 8  10 2   o 94.97974 25.13049 0.7009698      0.3346975     0.000000       0.000000      0.7009698      0.3346975     ?        ?        94.97974 25.13049 0.000000       25.13049 
1 1 1 8  10 3   o 73.82703 23.32047 0.4052250      0.2659963     0.000000       0.000000      0.4052250      0.2659963     ?        ?        73.82703 23.32047 0.000000       23.32047 
1 1 1 8  10 4   o 61.79866 18.18124 0.2813220      0.1655160     0.2113940      0.2340776     0.3512469      0.2340723     58.81067 21.75443 69.12827 21.88061 -10.31761      30.85476 
1 1 1 8  10 5   o 91.23631 25.31457 0.6460009      0.3301353     0.000000       0.000000      0.6460009      0.3301353     ?        ?        91.23631 25.31457 0.000000       25.31457 
1 1 1 8  10 6   o 151.3090 25.30187 1.753837       0.5099678     0.000000       0.000000      1.753837       0.5099678     ?        ?        151.3090 25.30187 0.000000       25.30187 
1 1 1 8  10 7   o 120.1251 17.80708 1.059124       0.2864241     1.334759       0.4046288     0.7822980      0.4055022     132.8140 22.88995 99.46156 28.21925 33.35246       36.33561 
1 1 1 8  10 8   o 55.14406 20.38611 0.1832941      0.2054972     0.000000       0.000000      0.1832941      0.2054972     ?        ?        55.14406 20.38611 0.000000       20.38611 
1 1 1 8  10 9   o 80.25621 24.33260 0.4895849      0.2930697     0.000000       0.000000      0.4895849      0.2930697     ?        ?        80.25621 24.33260 0.000000       24.33260 
1 1 1 8  10 10  f 129.2379 17.91907 1.224010       0.3111697     0.9403472      0.4380687     1.512890       0.4420795     108.6313 28.75434 141.2484 23.49128 -32.61707      37.13021 
1 1 1 8  10 11  o 100.5598 14.85237 0.7334754      0.2000262     0.7643017      0.2440791     0.6704326      0.3490496     101.6065 18.05852 92.71478 26.13827 8.891724       31.76978 
1 1 1 8  10 12  o 97.74422 18.50735 0.7108485      0.2406429     0.5894117      0.3391533     0.8339713      0.3414997     87.31239 26.10970 103.8676 24.25105 -16.55521      35.63467 
1 1 1 8  10 13  o 80.38258 15.62837 0.4756911      0.1672186     0.5408993      0.2032618     0.3391442      0.2941345     85.18549 17.85150 69.94131 24.57786 15.24418       30.37676 
1 1 1 8  10 14  o 125.6089 17.77718 1.156738       0.2997234     1.331431       0.4208142     0.9768714      0.4269993     132.0426 23.96266 111.0033 27.89237 21.03932       36.77218 
1 1 1 8  10 15  o 75.95434 18.82308 0.4338272      0.1964146     0.5324906      0.2729208     0.3278229      0.2828917     83.37123 22.97198 68.79132 24.10749 14.57991       33.29989 
1 1 1 8  10 16  o 62.74365 17.66387 0.2920140      0.1595229     0.5154939      0.2132605     0.8123820E-02  0.2403623     82.77991 19.05237 47.45724 20.38741 35.32267       27.90411 
1 1 1 8  10 17  o 107.3778 14.60096 0.8336637      0.2108740     0.8057985      0.2549207     0.8940587      0.3752961     104.2239 18.38532 106.9419 25.72798 -2.718018      31.62197 
1 1 1 8  10 18  o 72.30036 15.86711 0.3874174      0.1540599     0.3942850      0.1845649     0.3716381      0.2797653     72.46884 18.40833 71.61889 24.00816 0.8499527      30.25324 
1 1 1 8  10 19  o 39.19967 14.12945 0.9296184E-01  0.9779025E-01 0.1703475      0.1157432     -0.1000795     0.1828059     48.96874 15.37158 36.41131 16.56951 12.55743       22.60164 
1 1 1 8  10 20  o 69.82535 16.10272 0.3623652      0.1520856     0.3853044      0.1835526     0.3121276      0.2716349     71.62176 18.44744 67.25471 23.61995 4.367050       29.97015 
1 1 1 8  10 21  o 55.13722 16.04100 0.2226469      0.1294837     0.3193451      0.1558449     0.7101166E-02  0.2326769     65.42648 17.07051 46.64996 20.05022 18.77652       26.33275 
1 1 1 8  10 22  o 76.71306 16.11274 0.4363545      0.1652482     0.3112833      0.1990806     0.7134336      0.2963141     65.00174 20.11996 96.30787 22.66009 -31.30613      30.30334 
1 1 1 8  10 23  o 121.8767 14.52151 1.071250       0.2395712     1.404470       0.2926793     0.3946641      0.4170499     139.3904 15.46700 77.11189 28.93563 62.27848       32.81003 
1 1 1 8  10 24  o 247.4909 13.86659 4.364565       0.4719707     4.121096       0.5732126     4.877099       0.8316763     238.2590 17.54670 254.0878 23.98845 -15.82884      29.72091 
1 1 1 8  10 25  o 142.3736 14.34879 1.456746       0.2782409     1.491887       0.3371492     1.381698       0.4926968     142.7870 17.46399 131.8866 27.92431 10.90033       32.93566 
1 1 1 8  10 26  o 52.34979 17.75703 0.1876238      0.1530619     0.2163776      0.1974711     0.1443496      0.2422535     57.00579 20.12795 54.80700 21.65221 2.198795       29.56269 
1 1 1 8  10 27  o 102.7405 18.76208 0.7894319      0.2563629     1.264636       0.3513888     0.2486503      0.3748512     129.9526 20.24150 67.98116 26.90933 61.97141       33.67240 
1 1 1 8  10 28  o 113.0543 14.71214 0.9267503      0.2242269     1.083114       0.3786540     0.8423089      0.2782613     118.1660 24.02510 105.7298 19.78707 12.43625       31.12449 
1 1 1 8  10 29  o 90.60109 15.66550 0.6043274      0.1888907     0.7660610      0.3169860     0.5152755      0.2352131     99.14431 23.51099 81.99877 20.75510 17.14554       31.36145 
1 1 1 8  10 30  o 82.04775 19.79069 0.5134890      0.2216233     0.000000       0.000000      0.5134890      0.2216233     ?        ?        82.04775 19.79069 0.000000       19.79069 
1 1 1 8  10 31  o 203.9913 17.39676 3.041674       0.4853413     0.000000       0.000000      3.041674       0.4853413     ?        ?        203.9913 17.39676 0.000000       17.39676 
1 1 1 8  10 32  o 98.94375 19.79220 0.7440066      0.2609643     0.000000       0.000000      0.7440066      0.2609643     ?        ?        98.94375 19.79220 0.000000       19.79220 
1 1 1 8  10 33  f 68.78367 20.11270 0.3595528      0.2031016     0.2022659      0.3075098     0.4812538      0.2704953     61.65743 24.38328 78.64552 23.27218 -16.98808      33.70666 
1 1 1 8  10 34  o 65.88054 19.77205 0.3281123      0.1942304     -0.8640877E-01 0.2960563     0.6413488      0.2573577     47.86266 21.49883 91.06055 20.90904 -43.19789      29.98980 
1 1 1 8  10 35  o 197.4156 14.04102 2.808339       0.3802573     2.411144       0.4664170     3.595637       0.6566614     179.6999 19.08930 217.0108 22.22766 -37.31091      29.29967 
1 1 1 8  10 36  o 223.3748 14.00997 3.597748       0.4299375     3.778667       0.5316356     3.255767       0.7309235     226.6124 17.11622 201.5001 26.94472 25.11223       31.92151 
1 1 1 8  10 37  o 88.42883 14.34597 0.5762757      0.1691684     0.7142844      0.2388030     0.4372516      0.2396798     96.85328 18.53130 74.73345 21.84787 22.11983       28.64853 
1 1 1 8  10 38  o 153.5446 12.59782 1.696254       0.2647430     1.797989       0.3753308     1.595519       0.3734824     155.0708 17.85455 145.2085 19.08950 9.862335       26.13798 
1 1 1 8  10 39  o 154.6337 12.56115 1.722640       0.2658899     1.708383       0.3755549     1.736968       0.3764971     150.4842 18.46076 151.8414 18.32765 -1.357254      26.01350 
1 1 1 8  10 40  o 69.65850 16.11170 0.3692589      0.1518869     0.3380505      0.2124822     0.4018675      0.2171965     66.14973 20.83742 71.49084 20.76874 -5.341118      29.42004 
1 1 1 8  10 41  o 56.43299 16.07293 0.2414108      0.1312894     0.2926553      0.1820129     0.1858288      0.1895595     61.81120 19.25562 53.13839 19.59223 8.672817       27.47061 
1 1 1 8  10 42  o 107.1934 13.86854 0.8464985      0.2004626     0.8395720      0.2795080     0.8538353      0.2876616     103.2591 20.32688 103.8762 20.78093 -0.6170425     29.06939 
1 1 1 8  10 43  o 87.07240 15.12695 0.5708607      0.1752740     0.4359459      0.2414750     0.7210906      0.2548123     73.40166 22.04974 95.46819 19.97141 -22.06653      29.74976 
1 1 1 8  10 44  o 130.4845 13.08540 1.246888       0.2325910     1.541709       0.3302780     0.9568202      0.3276049     142.4691 17.13235 108.1907 22.65541 34.27843       28.40397 
1 1 1 8  10 45  f 118.4405 13.56686 1.036187       0.2178779     1.331075       0.3085392     0.7428728      0.3077141     131.8382 17.37152 93.95554 23.71620 37.88261       29.39775 
1 1 1 8  10 46  o 62.21763 16.90803 0.3029400      0.1490532     0.1773857      0.2094170     0.4318493      0.2121967     52.79462 20.33975 72.88190 20.32134 -20.08728      28.75174 
1 1 1 8  10 47  o 96.36583 14.43640 0.6994064      0.1861826     0.9127907      0.2652475     0.4921698      0.2613987     107.6901 18.50450 76.34756 22.94286 31.34255       29.47527 
1 1 1 8  10 48  o 111.0759 14.07544 0.9245145      0.2110403     1.073951       0.2995071     0.7771571      0.2974159     116.0518 19.37332 95.84574 22.80363 20.20609       29.92208 
1 1 1 8  10 49  o 100.3149 14.39033 0.7605183      0.1936217     0.6320111      0.2720993     0.8923329      0.2755787     86.08808 22.60202 105.1226 19.70914 -19.03454      29.98835 
1 1 1 8  10 50  o 100.7335 14.48999 0.7692789      0.1957481     0.6306154      0.2741563     0.9134857      0.2795826     85.64410 22.78449 106.1168 19.80897 -20.47272      30.19153 
1 1 1 8  10 51  o 79.69905 15.53519 0.4932291      0.1648217     0.3533364      0.2295436     0.6421218      0.2368124     65.26477 21.74564 88.36218 19.88878 -23.09741      29.46925 
1 1 1 8  10 52  o 52.75378 16.38628 0.2165959      0.1319181     0.3521532      0.1807035     0.6191977E-01  0.1930264     65.61723 18.90966 43.83823 18.53018 21.77900       26.47533 
1 1 1 8  10 53  o 54.98567 16.73387 0.2384288      0.1384170     0.1691931      0.1884952     0.3194558      0.2039154     50.32826 19.32057 62.35245 20.48246 -12.02419      28.15698 
1 1 1 8  10 54  o 38.52702 14.77733 0.8658635E-01  0.1102092     0.1216457      0.1544145     0.5018344E-01  0.1573455     44.80128 17.40787 39.99046 16.80741 4.810814       24.19758 
1 1 1 8  10 55  o 62.79910 16.87575 0.3168006      0.1494716     0.3590749      0.2106962     0.2739691      0.2120801     65.37486 20.76641 58.64008 20.84262 6.734776       29.42208 
1 1 1 8  10 56  o 83.26862 16.11611 0.5461828      0.1786038     0.8094844      0.2538471     0.2880578      0.2513394     99.46609 19.17762 60.25117 22.49162 39.21492       29.55764 
1 1 1 8  10 57  o 87.68764 16.07464 0.6044530      0.1874609     0.7703381      0.2664823     0.4419420      0.2637582     95.59724 20.78058 70.79439 23.29676 24.80285       31.21812 
1 1 1 8  10 58  o 131.8248 13.80191 1.312447       0.2475073     1.395335       0.3510309     1.230500       0.3490340     130.0332 20.20624 120.4409 21.78937 9.592300       29.71647 
1 1 1 8  10 59  o 33.31867 14.33357 0.1112134E-01  0.1191064     0.7172382E-01  0.1641186     -0.5631578E-01 0.1731259     41.84729 17.34332 35.71608 16.20356 6.131214       23.73491 
1 1 1 8  10 60  o 63.31726 17.29205 0.3246853      0.1554491     0.3062634      0.2200970     0.3430207      0.2195803     61.02482 21.27102 63.85123 21.26818 -2.826412      30.07975 
1 1 1 8  10 61  o 35.30020 14.75514 0.3689254E-01  0.1202418     0.4435429E-01  0.1668680     0.2883368E-01  0.1734162     40.39145 17.15918 40.07944 17.26853 0.3120117      24.34419 
1 1 1 8  10 62  o 38.27352 14.28888 0.9199198E-01  0.1014467     0.1282774      0.1766005     0.7412137E-01  0.1239353     46.58251 18.46025 38.57453 15.40808 8.007984       24.04558 
1 1 1 8  10 63  o 91.62494 13.03513 0.6330387      0.1602677     0.5578766      0.2644899     0.6766490      0.2014672     79.38050 22.87770 92.67852 16.34012 -13.29802      28.11386 
1 1 1 8  10 64  o 82.89341 15.94181 0.5416682      0.1758453     0.3958270      0.4205234     0.5725734      0.1935825     68.29321 27.97563 84.46590 17.18250 -16.17270      32.83099 
1 1 1 8  10 65  o 58.08415 18.95791 0.2753646      0.1747937     0.7121861      0.4059023     0.1759179      0.1936710     83.55691 28.89977 50.59871 19.54148 32.95819       34.88647 
1 1 1 8  10 66  o 72.43930 18.28878 0.4354587      0.1829635     0.4620371      0.2452827     0.4021206      0.2747095     72.04459 22.33839 67.14706 23.73682 4.897537       32.59510 
1 1 1 8  10 67  o 46.92553 16.58141 0.1648188      0.1340377     0.1200214      0.1834530     0.2161184      0.1963160     45.90941 18.60135 53.14765 19.87033 -7.238239      27.21838 
1 1 1 8  10 68  o 49.30789 14.61863 0.1923794      0.1066574     0.3022982      0.1483726     0.7484422E-01  0.1534270     60.45271 17.04113 40.61364 16.79528 19.83907       23.92659 
1 1 1 8  10 69  o 37.14837 13.24393 0.9658464E-01  0.8569269E-01 0.1581141      0.1284914     0.4729537E-01  0.1150029     45.63933 16.22314 34.99031 14.51112 10.64902       21.76610 
1 1 1 8  10 70  o 35.19020 13.72344 0.7237276E-01  0.9623786E-01 0.1580032      0.1436653     0.2669291E-02  0.1296179     45.83570 17.02542 33.29431 14.62703 12.54139       22.44583 
1 1 1 8  10 71  o 69.97950 13.56477 0.3905233      0.1263433     0.3899001      0.1785661     0.3911480      0.1787868     66.02236 18.72415 66.12537 18.72956 -0.1030121     26.48377 
1 1 1 8  10 72  o 57.97702 14.30465 0.2777753      0.1138124     0.1384118      0.1594855     0.4223963      0.1624659     44.00006 17.50936 69.62644 17.03760 -25.62638      24.43067 
1 1 1 8  10 73  o 87.87101 12.58936 0.6121782      0.1483871     0.5272533      0.2089078     0.6986545      0.2108073     74.12395 19.96425 88.55522 17.85626 -14.43127      26.78464 
1 1 1 8  10 74  o 25.84065 11.77915 -0.3165675E-01 0.9288272E-01 -0.9485866E-01 0.1472908     0.1006976E-01  0.1196786     29.40845 13.87966 31.61045 13.96419 -2.201996      19.68866 
1 1 1 8  10 75  o 80.17377 15.19288 0.5609012      0.1620375     0.4975021      0.2530058     0.6049903      0.2109863     64.45579 22.78046 77.56517 19.67046 -13.10938      30.09778 
1 1 1 8  10 76  o 52.88327 16.21877 0.2676780      0.1297027     0.1106947      0.1997401     0.3821345      0.1705528     40.80766 18.03299 60.56378 18.60228 -19.75612      25.90817 
1 1 1 8  10 77  o 93.57834 13.08071 0.7560390      0.1644023     0.7898386      0.2274924     0.7190905      0.2378535     85.28259 19.71301 77.49038 21.48239 7.792206       29.15641 
1 1 1 8  10 78  o 63.44207 16.20514 0.4126500      0.1424714     0.4160430      0.1830169     0.4074314      0.2269759     57.47558 19.41740 52.32661 20.86755 5.148968       28.50421 
1 1 1 8  10 79  o 39.55050 15.05987 0.1681716      0.1139455     0.1806337      0.1461582     0.1488603      0.1819423     39.54799 16.37668 37.48306 16.84383 2.064930       23.49277 
1 1 1 8  10 80  o 43.59354 15.90246 0.2400238      0.1244094     0.3194644      0.1601515     0.1191330      0.1975633     46.28265 17.79905 34.32243 16.16092 11.96021       24.04125 
1 1 1 8  10 81  o 56.26797 17.40040 0.4515629      0.1489388     0.4213918      0.1924203     0.4966539      0.2352345     45.17944 18.75630 43.90218 19.47660 1.277260       27.03954 
1 1 1 8  10 82  o 20.12729 9.733531 -0.4656820E-01 0.8250242E-01 -0.2979061E-01 0.1061824     -0.7212725E-01 0.1310569     22.73339 11.00557 22.95081 11.33793 -0.2174168     15.80099 
1 1 1 8  10 83  o 23.66277 11.17909 0.3531784E-01  0.9598418E-01 0.9850713E-01  0.1250861     -0.5517026E-01 0.1496866     26.76745 12.68048 22.81950 11.40998 3.947954       17.05821 
1 1 1 8  10 84  o 14.37747 7.288294 -0.1571013     0.7359110E-01 -0.1262474     0.8713045E-01 -0.2338883     0.1374546     16.41510 8.274386 17.94200 9.172937 -1.526899      12.35347 
1 1 1 8  10 85  o 16.28850 8.188847 -0.7278506E-01 0.8233752E-01 -0.5981646E-01 0.9817935E-01 -0.1035294     0.1511668     17.46820 8.802458 18.50172 9.471560 -1.033525      12.93034 
1 1 1 8  10 86  o 16.43189 8.314991 -0.2516343E-01 0.9308428E-01 0.3586345E-02  0.1109862     -0.9335136E-01 0.1709250     17.31211 8.794003 17.00605 8.771677 0.3060570      12.42082 
1 1 1 8  10 87  o 11.00612 5.649691 -0.1451540     0.5779470E-01 -0.1044101     0.6907272E-01 -0.2402703     0.1055366     12.58239 6.438354 12.85758 6.641677 -0.2751932     9.250095 
1 1 1 8  10 88  o 13.83414 7.137054 0.2354709E-02  0.1142730     -0.1131876     0.1452803     0.1898273      0.1850567     13.32548 6.915385 14.67287 7.618822 -1.347390      10.28927 
1 1 1 8  10 89  o 12.47595 6.465677 -0.4507169E-02 0.1144779     0.4920565E-02  0.1445608     -0.2036212E-01 0.1874690     12.58245 6.537068 12.55339 6.533267 0.2906895E-01  9.242123 
1 1 1 8  10 90  o 12.14004 6.315752 0.2514286      0.1613705     0.3566433      0.2020232     0.6596597E-01  0.2682202     12.09422 6.297439 11.54964 6.014008 0.5445814      8.707814 
1 1 1 8  10 91  o 10.62023 5.528780 0.1321657      0.1438782     0.1611219      0.1806658     0.8195954E-01  0.2378940     10.56234 5.500912 10.40039 5.414009 0.1619501      7.718259 
1 1 1 8  10 92  o 8.988471 4.679937 -0.8790807E-01 0.1656741     -0.8790807E-01 0.1656741     0.000000       0.000000      8.988471 4.679937 ?        ?        0.000000       4.679937 
1 1 1 8  10 93  o 7.887350 4.102000 -0.6385953E-01 0.1716075     -0.6385953E-01 0.1716075     0.000000       0.000000      7.887350 4.102000 ?        ?        0.000000       4.102000 
1 1 1 8  10 94  o ?        ?        -0.3174865     0.6299056E-01 -0.3174865     0.6299056E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  10 95  o ?        ?        0.1133326      0.2377635     0.1133326      0.2377635     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  10 96  o ?        ?        -0.4517378     0.6287733E-01 -0.4517378     0.6287733E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  10 97  o ?        ?        0.4889404E-01  0.2121790     0.4889404E-01  0.2121790     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  10 98  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 100 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 1   o 63.73189 22.61462 0.2833267      0.2495742     0.2833267      0.2495742     0.000000       0.000000      63.73189 22.61462 ?        ?        0.000000       22.61462 
1 1 1 8  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 6   o 112.9609 26.75731 1.034993       0.4109366     0.000000       0.000000      1.034993       0.4109366     ?        ?        112.9609 26.75731 0.000000       26.75731 
1 1 1 8  11 7   o 41.97691 17.55992 0.3890039E-01  0.1704917     0.000000       0.000000      0.3890039E-01  0.1704917     ?        ?        41.97691 17.55992 0.000000       17.55992 
1 1 1 8  11 8   o 65.53710 19.56560 0.3253345      0.1905658     0.3063874      0.2711898     0.3438168      0.2678427     65.94901 23.55518 68.38031 23.48590 -2.431305      33.26310 
1 1 1 8  11 9   o 75.19665 24.69504 0.4357646      0.2964259     0.000000       0.000000      0.4357646      0.2964259     ?        ?        75.19665 24.69504 0.000000       24.69504 
1 1 1 8  11 10  o 75.15400 24.82132 0.4353370      0.2993089     0.000000       0.000000      0.4353370      0.2993089     ?        ?        75.15400 24.82132 0.000000       24.82132 
1 1 1 8  11 11  o 85.75694 20.19238 0.5691313      0.2351517     0.2232532      0.3272509     0.9383774      0.3381250     63.38941 25.12664 109.1481 23.15232 -45.75866      34.16691 
1 1 1 8  11 12  o 151.8143 27.13821 1.864967       0.5480148     0.000000       0.000000      1.864967       0.5480148     ?        ?        151.8143 27.13821 0.000000       27.13821 
1 1 1 8  11 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 18  f 127.9226 18.30284 1.235228       0.3140831     1.235228       0.3140831     0.000000       0.000000      127.9226 18.30284 ?        ?        0.000000       18.30284 
1 1 1 8  11 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 21  o 107.4736 28.01344 0.9841256      0.4199639     0.000000       0.000000      0.9841256      0.4199639     ?        ?        107.4736 28.01344 0.000000       28.01344 
1 1 1 8  11 22  o ?        ?        -0.2684681     0.6333779E-01 0.000000       0.000000      -0.2684681     0.6333779E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 23  o 57.55093 22.59904 0.1941536      0.2624156     0.000000       0.000000      0.1941536      0.2624156     ?        ?        57.55093 22.59904 0.000000       22.59904 
1 1 1 8  11 24  o 41.01040 18.10046 -0.2571288E-01 0.2006364     0.000000       0.000000      -0.2571288E-01 0.2006364     ?        ?        41.01040 18.10046 0.000000       18.10046 
1 1 1 8  11 25  o 74.34054 26.09860 0.4439016      0.3316213     0.000000       0.000000      0.4439016      0.3316213     ?        ?        74.34054 26.09860 0.000000       26.09860 
1 1 1 8  11 26  o 150.0303 14.74436 1.662715       0.3015064     1.470620       0.3618611     2.098872       0.5452626     137.7149 19.58076 159.1153 25.69275 -21.40042      32.30361 
1 1 1 8  11 27  o 78.76841 17.50525 0.4819172      0.1854563     0.6418703      0.2229659     0.1228099      0.3340829     90.72335 18.42722 57.37199 24.32139 33.35136       30.51381 
1 1 1 8  11 28  o 110.8143 21.08572 0.9821033      0.3108548     0.4246763      0.4319264     1.581067       0.4477296     74.16867 29.03194 138.3882 24.31783 -64.21954      37.87097 
1 1 1 8  11 29  o 76.99644 21.76563 0.4859475      0.2416948     0.5241827      0.3392361     0.4465303      0.3444395     78.38734 26.43626 73.70143 26.52281 4.685913       37.44777 
1 1 1 8  11 30  o 96.55383 16.78287 0.7166572      0.2156336     0.6118221      0.3815284     0.7658628      0.2613852     83.06883 28.03567 97.90136 20.01101 -14.83253      34.44473 
1 1 1 8  11 31  o 68.42031 18.14414 0.3713294      0.1742166     0.3473756      0.3128604     0.3820954      0.2097447     67.00875 25.07809 68.69620 20.53061 -1.687447      32.41013 
1 1 1 8  11 32  o 62.61901 18.33078 0.3105591      0.1686230     0.5005057      0.3075078     0.2288850      0.2016427     76.35130 25.15620 56.05962 20.27663 20.29169       32.31062 
1 1 1 8  11 33  o 126.4290 15.69250 1.212732       0.2680627     0.8880790      0.4732364     1.366116       0.3252797     95.34493 31.19731 132.2407 18.30452 -36.89576      36.17081 
1 1 1 8  11 34  o 107.6320 13.80935 0.8661489      0.2005023     1.156084       0.2832209     0.5748492      0.2838863     122.1127 17.27919 81.61739 23.75377 40.49535       29.37366 
1 1 1 8  11 35  o 52.83522 15.59921 0.2154590      0.1216522     0.1227063      0.1642955     0.3280304      0.1809992     45.92156 17.92469 63.79753 19.07314 -17.87597      26.17402 
1 1 1 8  11 36  o 100.4301 14.06977 0.7599497      0.1897589     0.5828028      0.2640377     0.9491894      0.2729011     82.59984 22.52744 109.1408 18.78606 -26.54095      29.33260 
1 1 1 8  11 37  o 111.4896 13.83575 0.9329711      0.2084197     0.8723994      0.2902594     0.9974416      0.2994556     102.5421 21.19994 110.5265 20.37190 -7.984383      29.40156 
1 1 1 8  11 38  o 39.57903 15.26323 0.8942490E-01  0.1180174     -0.1687649     0.1572508     0.4224052      0.1785800     29.55247 14.06282 72.40647 17.95077 -42.85400      22.80336 
1 1 1 8  11 39  o 51.31191 15.83312 0.2034289      0.1233933     0.2716790      0.1726477     0.1321617      0.1764226     58.35985 18.82570 47.14350 18.52424 11.21635       26.41126 
1 1 1 8  11 40  o 82.36491 17.83027 0.5447462      0.1969070     0.9411715      0.2368965     -0.3412759     0.3541606     110.2634 16.02865 42.79763 20.56322 67.46573       26.07228 
1 1 1 8  11 41  o 46.72149 16.33598 0.1585766      0.1298640     0.7895713E-01  0.1780852     0.2489999      0.1897834     43.60851 18.06916 56.47492 19.74819 -12.86641      26.76724 
1 1 1 8  11 42  o 45.15858 15.64650 0.1478707      0.1190034     0.1079173      0.1608797     0.1961461      0.1768430     44.22748 17.59018 51.81390 18.95080 -7.586422      25.85628 
1 1 1 8  11 43  o 44.11119 15.96263 0.1347280      0.1249902     0.1063668      0.1696477     0.1684019      0.1848553     44.69858 17.96576 49.99264 19.14699 -5.294056      26.25596 
1 1 1 8  11 44  o 93.11515 15.13282 0.6700119      0.1878902     0.4274234      0.2592106     0.9385828      0.2727390     69.97256 23.09837 107.4275 19.08547 -37.45498      29.96314 
1 1 1 8  11 45  o 75.50698 18.00945 0.4643306      0.1851369     0.6027581      0.2191069     0.1188129      0.3461625     85.60596 19.02911 55.31570 24.11205 30.29026       30.71642 
1 1 1 8  11 46  o 90.97454 18.10431 0.6691918      0.2194270     0.7012343      0.2613400     0.5926284      0.4039746     90.73050 21.23577 77.91228 28.62028 12.81821       35.63816 
1 1 1 8  11 47  f 62.91162 18.92586 0.3262486      0.1778057     0.4344102      0.2083970     0.3681261E-01  0.3409032     71.69713 20.19091 51.99517 23.23214 19.70196       30.77995 
1 1 1 8  11 48  o 95.56606 14.88735 0.7039816      0.1900547     0.8450382      0.2667914     0.5586441      0.2708096     101.0776 19.82354 79.21822 23.24181 21.85934       30.54758 
1 1 1 8  11 49  o 104.7001 14.32985 0.8366467      0.2017325     0.9946488      0.2857107     0.6795655      0.2848768     110.1616 19.49613 87.59741 23.18841 22.56415       30.29524 
1 1 1 8  11 50  o 98.36950 14.86673 0.7446088      0.1956367     1.027516       0.2753637     0.4562594      0.2779994     113.1083 18.25226 71.61674 23.93264 41.49157       30.09845 
1 1 1 8  11 51  o 65.62415 17.17124 0.3478986      0.1573949     0.3203742      0.2189250     0.3773465      0.2264454     62.15523 21.23582 66.55611 21.56965 -4.400875      30.26896 
1 1 1 8  11 52  o 65.36734 17.08571 0.3448235      0.1559398     0.3028770      0.2173390     0.3893290      0.2238704     60.80583 21.14057 67.54497 21.40050 -6.739136      30.08163 
1 1 1 8  11 53  o 84.83230 15.90549 0.5651987      0.1794694     0.6576479      0.2514116     0.4691387      0.2562743     87.93960 20.99479 72.96771 22.86782 14.97189       31.04381 
1 1 1 8  11 54  o 45.49807 17.63533 0.1296578      0.1581757     -0.5895539E-01 0.1861050     0.6204288      0.3002005     36.90959 16.76616 82.32953 24.55212 -45.41994      29.73063 
1 1 1 8  11 55  f 32.09845 15.03774 -0.1264971     0.1673813     -0.4329543E-01 0.2340275     -0.2136302     0.2394929     41.80911 18.91567 36.52848 17.37439 5.280624       25.68408 
1 1 1 8  11 56  o 52.27926 20.67023 0.1844695      0.2209433     0.1092592E-01  0.3113007     0.3606247      0.3136344     49.03292 22.03340 64.91540 24.92158 -15.88248      33.26494 
1 1 1 8  11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 58  o 51.61797 21.21479 0.1647805      0.2428272     0.1647805      0.2428272     0.000000       0.000000      51.61797 21.21479 ?        ?        0.000000       21.21479 
1 1 1 8  11 59  o 41.06502 16.83926 0.8232123E-01  0.1525588     -0.5697270E-01 0.2189962     0.2136532      0.2126453     39.43418 18.01873 53.11116 20.48630 -13.67698      27.28302 
1 1 1 8  11 60  o 61.62893 17.06441 0.3175839      0.1501775     0.3507027      0.2186009     0.2879823      0.2066673     62.62102 21.22095 57.89336 20.57518 4.727665       29.55785 
1 1 1 8  11 61  o 77.63200 16.80216 0.5016721      0.1748866     0.6976892      0.2500974     0.3141061      0.2446467     87.96171 20.89992 59.20363 22.17250 28.75808       30.47009 
1 1 1 8  11 62  o 46.94650 16.61303 0.1761057      0.1345967     0.3430653      0.1929176     0.1775322E-01  0.1878792     61.37791 19.91072 39.24288 17.40801 22.13503       26.44760 
1 1 1 8  11 63  o 75.85673 16.81929 0.4918816      0.1715526     0.6136819      0.2432184     0.3712884      0.2420102     79.87238 21.55355 61.43756 22.21497 18.43481       30.95255 
1 1 1 8  11 64  o 47.38016 16.66552 0.1886511      0.1352522     0.1777897      0.1907060     0.1996432      0.1918501     47.57111 19.07362 49.05280 19.30357 -1.481686      27.13726 
1 1 1 8  11 65  o 50.86924 16.73028 0.2299058      0.1360330     0.1628065      0.1931414     0.2959571      0.1916270     45.97778 18.91125 55.28344 19.79476 -9.305660      27.37641 
1 1 1 8  11 66  o 34.40343 14.20226 0.6384014E-01  0.1094325     -0.5923971E-02 0.1548815     0.1333874      0.1546406     33.94609 15.37049 42.18337 17.08295 -8.237274      22.97997 
1 1 1 8  11 67  o 33.06882 13.34297 0.6660569E-01  0.9396981E-01 0.1758991      0.1510849     -0.2347836E-02 0.1200059     44.56304 17.24596 30.50077 13.69483 14.06227       22.02207 
1 1 1 8  11 68  o 31.65108 13.08614 0.5582407E-01  0.9311448E-01 0.5274235E-01  0.1501110     0.5775148E-01  0.1187138     35.54275 15.67338 33.76387 14.41131 1.778877       21.29180 
1 1 1 8  11 69  f 59.24678 14.47084 0.3218815      0.1173663     0.3207584      0.1648852     0.3230351      0.1670989     53.89631 18.42937 53.91449 18.54855 -0.1818085E-01 26.14747 
1 1 1 8  11 70  o 27.78426 11.98312 0.3072779E-01  0.8367658E-01 0.8333749E-01  0.1159651     -0.2641662E-01 0.1208597     34.04911 14.37589 27.89402 12.97179 6.155087       19.36320 
1 1 1 8  11 71  o 33.55613 13.30624 0.9736918E-01  0.9180704E-01 0.1461755      0.1288359     0.4701939E-01  0.1308572     37.95547 15.50908 31.60358 14.23540 6.351894       21.05179 
1 1 1 8  11 72  o 44.73916 14.79548 0.2228013      0.1063350     0.1987910      0.1492958     0.2475221      0.1514889     39.39796 16.45242 42.71119 17.04324 -3.313229      23.68869 
1 1 1 8  11 73  o 20.46507 9.687796 -0.3701360E-01 0.7274901E-01 -0.4904022E-01 0.1009119     -0.2399937E-01 0.1049735     23.01912 11.03785 24.45073 11.59265 -1.431610      16.00698 
1 1 1 8  11 74  o 21.63706 10.16121 -0.1459172E-01 0.7721452E-01 -0.4449851E-02 0.1071481     -0.2554852E-01 0.1113698     24.54269 11.65824 23.95540 11.51548 0.5872955      16.38660 
1 1 1 8  11 75  o 32.02215 13.36424 0.1465097      0.9842477E-01 0.1620612      0.1372370     0.1300386      0.1412365     31.00974 14.20461 29.46918 13.80835 1.540558       19.81014 
1 1 1 8  11 76  o 28.24072 12.47548 0.1239213      0.9551922E-01 0.2317974      0.1329794     0.8932887E-02  0.1372931     31.88295 14.35681 23.44381 11.58581 8.439144       18.44855 
1 1 1 8  11 77  f 24.49198 11.55849 0.1019169      0.1021143     0.1417375      0.1299733     0.3769803E-01  0.1650561     25.23418 12.20654 22.53424 11.36262 2.699940       16.67660 
1 1 1 8  11 78  o 30.52917 14.10678 0.4087807      0.1395420     0.4307987      0.1781585     0.3738348      0.2244482     26.26060 13.01732 23.19442 11.84711 3.066179       17.60127 
1 1 1 8  11 79  o 23.52191 11.58121 0.3228424      0.1329003     0.3777067      0.1700090     0.2366334      0.2131097     21.86741 11.08433 19.33006 9.962371 2.537350       14.90340 
1 1 1 8  11 80  o 16.52556 8.374173 0.5892918E-01  0.9656770E-01 -0.4845400E-01 0.1224216     0.2357980      0.1571142     15.20487 7.822130 17.76695 9.130210 -2.562079      12.02275 
1 1 1 8  11 81  o 14.32844 7.332462 0.2232166E-01  0.8978853E-01 0.4747832E-01  0.1133252     -0.2010223E-01 0.1471652     14.62690 7.524854 14.16322 7.339829 0.4636774      10.51173 
1 1 1 8  11 82  o 12.76900 6.588901 0.5935634E-02  0.9846868E-01 -0.4572668E-01 0.1361530     0.6259095E-01  0.1425807     12.60209 6.543434 13.12166 6.810591 -0.5195684     9.444611 
1 1 1 8  11 83  o 10.75376 5.571789 -0.1055883     0.8378419E-01 -0.2517833E-01 0.1024028     -0.2684199     0.1457223     11.55718 5.992957 10.98246 5.716175 0.5747252      8.281919 
1 1 1 8  11 84  o 11.05038 5.747639 0.9207825E-01  0.1304256     0.1735298      0.1601270     -0.6847639E-01 0.2248156     11.15365 5.806630 10.71363 5.578914 0.4400177      8.052405 
1 1 1 8  11 85  f 9.346883 4.865587 -0.1090611     0.1101637     -0.1090611     0.1101637     0.000000       0.000000      9.346883 4.865587 ?        ?        0.000000       4.865587 
1 1 1 8  11 86  o 8.718004 4.536416 0.1891621      0.1868009     0.1891621      0.1868009     0.000000       0.000000      8.718004 4.536416 ?        ?        0.000000       4.536416 
1 1 1 8  11 87  o ?        ?        0.1159597      0.2229172     0.1159597      0.2229172     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 88  o ?        ?        -0.6392219E-01 0.1592512     -0.6392219E-01 0.1592512     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 89  o ?        ?        0.1678251      0.2438020     0.1678251      0.2438020     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 90  o ?        ?        0.1950804      0.2499710     0.1950804      0.2499710     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 91  o ?        ?        -0.3167196     0.6133934E-01 -0.3167196     0.6133934E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  11 92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 93  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 94  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  11 95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 1   o 110.7941 28.99294 1.153614       0.4486907     1.153614       0.4486907     0.000000       0.000000      110.7941 28.99294 ?        ?        0.000000       28.99294 
1 1 1 8  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 7   o 92.53708 27.36152 0.7931526      0.3740333     0.000000       0.000000      0.7931526      0.3740333     ?        ?        92.53708 27.36152 0.000000       27.36152 
1 1 1 8  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 11  o 71.67264 25.28686 0.4450864      0.3116108     0.4450864      0.3116108     0.000000       0.000000      71.67264 25.28686 ?        ?        0.000000       25.28686 
1 1 1 8  12 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 15  o 81.37283 26.76648 0.6116965      0.3481886     0.000000       0.000000      0.6116965      0.3481886     ?        ?        81.37283 26.76648 0.000000       26.76648 
1 1 1 8  12 16  o 48.75975 20.65003 0.8929790E-01  0.2404546     0.000000       0.000000      0.8929790E-01  0.2404546     ?        ?        48.75975 20.65003 0.000000       20.65003 
1 1 1 8  12 17  o 78.38612 27.07792 0.5685046      0.3562861     0.000000       0.000000      0.5685046      0.3562861     ?        ?        78.38612 27.07792 0.000000       27.07792 
1 1 1 8  12 18  o 60.00110 23.66789 0.2593148      0.2890442     0.000000       0.000000      0.2593148      0.2890442     ?        ?        60.00110 23.66789 0.000000       23.66789 
1 1 1 8  12 19  o 38.27048 16.26217 0.3297406E-01  0.1499452     -0.5826059E-01 0.1916555     0.1769413      0.2407538     37.70517 17.08304 53.42506 21.42722 -15.71988      27.40358 
1 1 1 8  12 20  o 73.63316 26.41381 0.4896990      0.3413568     0.000000       0.000000      0.4896990      0.3413568     ?        ?        73.63316 26.41381 0.000000       26.41381 
1 1 1 8  12 21  o 110.6378 20.19470 1.005994       0.2971486     1.263528       0.4057224     0.7080175      0.4364176     118.8697 25.48376 84.16092 29.90037 34.70876       39.28682 
1 1 1 8  12 22  o 116.6708 30.77060 1.361068       0.5028362     0.000000       0.000000      1.361068       0.5028362     ?        ?        116.6708 30.77060 0.000000       30.77060 
1 1 1 8  12 23  o 124.8433 30.29020 1.531744       0.5168421     0.000000       0.000000      1.531744       0.5168421     ?        ?        124.8433 30.29020 0.000000       30.29020 
1 1 1 8  12 24  o 46.73281 20.06330 0.6440592E-01  0.2325135     0.000000       0.000000      0.6440592E-01  0.2325135     ?        ?        46.73281 20.06330 0.000000       20.06330 
1 1 1 8  12 25  o 40.29354 18.02845 -0.2767537E-01 0.2060453     0.000000       0.000000      -0.2767537E-01 0.2060453     ?        ?        40.29354 18.02845 0.000000       18.02845 
1 1 1 8  12 26  o 50.81921 21.39559 0.1188100      0.2556934     0.000000       0.000000      0.1188100      0.2556934     ?        ?        50.81921 21.39559 0.000000       21.39559 
1 1 1 8  12 27  o 43.21824 17.56755 0.9113652E-01  0.1642215     0.1511777      0.2191993     0.1432132E-01  0.2479350     50.55915 20.38628 45.45763 20.08930 5.101521       28.62133 
1 1 1 8  12 28  o 30.52778 14.08266 -0.8191318E-01 0.1382101     -0.1903756     0.1890252     0.4268366E-01  0.2025972     32.35485 15.40238 43.33242 18.66755 -10.97757      24.20146 
1 1 1 8  12 29  o 60.00812 18.50396 0.2930575      0.1685666     0.2268230      0.2016861     0.4465351      0.3070128     54.82813 20.21011 70.68641 25.08232 -15.85828      32.21135 
1 1 1 8  12 30  f 95.17055 17.23758 0.7211260      0.2181850     0.7552112      0.2603639     0.6407376      0.3998478     94.94364 20.46294 80.61372 28.62234 14.32992       35.18480 
1 1 1 8  12 31  o 78.41219 22.56219 0.5400366      0.2574318     0.2947295      0.3554951     0.8105065      0.3732829     62.98908 25.75297 91.72490 27.38350 -28.73582      37.59084 
1 1 1 8  12 32  f 49.05952 17.96817 0.1726384      0.1590577     -0.1647581E-01 0.2727679     0.2700758      0.1957916     45.91932 20.63024 58.02142 20.07133 -12.10210      28.78307 
1 1 1 8  12 33  o 62.42795 18.59296 0.3196196      0.1722421     0.2084927      0.3093042     0.3695703      0.2073707     57.54996 23.82679 66.20946 20.54134 -8.659492      31.45891 
1 1 1 8  12 34  o 58.95911 18.61491 0.2820440      0.1694977     0.3848986      0.3065425     0.2367495      0.2034237     66.90330 24.86583 55.59929 20.32671 11.30400       32.11673 
1 1 1 8  12 35  o 58.00270 18.60719 0.2714309      0.1688405     0.1683735      0.3067229     0.3162346      0.2022387     55.62165 23.42636 61.84501 20.40206 -6.223354      31.06507 
1 1 1 8  12 36  o 61.66971 18.84000 0.3116441      0.1752097     0.5574739E-01  0.3027807     0.4404719      0.2148329     50.66378 22.30445 72.06756 20.57232 -21.40378      30.34319 
1 1 1 8  12 37  o 65.26041 19.14071 0.3523962      0.1836964     -0.3458185     0.3205131     0.6939355      0.2241669     40.04083 19.31997 92.70145 18.16206 -52.66061      26.51645 
1 1 1 8  12 38  o 41.70990 17.49768 0.6102901E-01  0.1700238     -0.8017730E-01 0.2485609     0.1851986      0.2330845     41.76587 19.12612 53.24884 21.17443 -11.48297      28.53358 
1 1 1 8  12 39  o 61.52551 18.10830 0.3084233      0.1641608     0.3149602      0.1973443     0.2937383      0.2957849     61.73523 20.14345 61.52887 24.04124 0.2063637      31.36463 
1 1 1 8  12 40  o 64.48766 18.47796 0.3419425      0.1729931     0.3285503      0.2083439     0.3716727      0.3104240     62.76268 20.70786 66.08476 24.93018 -3.322086      32.40879 
1 1 1 8  12 41  o 49.88337 17.41525 0.1874790      0.1475639     0.2090730      0.1757184     0.1358181      0.2717891     52.58681 18.94193 52.30457 22.04185 0.2822456      29.06269 
1 1 1 8  12 42  o 51.83783 19.21072 0.1975112      0.1827050     0.1530566      0.2438028     0.2544575      0.2759390     51.69021 21.25243 58.56363 23.11741 -6.873413      31.40191 
1 1 1 8  12 43  o 56.12846 22.81102 0.2120875      0.2768172     0.000000       0.000000      0.2120875      0.2768172     ?        ?        56.12846 22.81102 0.000000       22.81102 
1 1 1 8  12 44  o 37.64803 17.18073 -0.6560988E-01 0.1983054     0.000000       0.000000      -0.6560988E-01 0.1983054     ?        ?        37.64803 17.18073 0.000000       17.18073 
1 1 1 8  12 45  o 29.33121 13.96014 -0.1589618     0.1551157     0.000000       0.000000      -0.1589618     0.1551157     ?        ?        29.33121 13.96014 0.000000       13.96014 
1 1 1 8  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 48  o 57.68467 20.36901 0.2830027      0.2022327     0.2830027      0.2022327     0.000000       0.000000      57.68467 20.36901 ?        ?        0.000000       20.36901 
1 1 1 8  12 49  o 56.06450 20.25277 0.2672064      0.2010762     0.2672064      0.2010762     0.000000       0.000000      56.06450 20.25277 ?        ?        0.000000       20.25277 
1 1 1 8  12 50  o 43.69817 16.61146 0.1357140      0.1384891     0.2493201      0.1683298     -0.1022671     0.2436304     54.16037 18.61767 39.10654 18.26306 15.05383       26.07982 
1 1 1 8  12 51  o 34.41555 14.80335 0.2768739E-01  0.1270097     0.8757928E-01  0.1556230     -0.9178052E-01 0.2197937     40.78986 16.89541 37.29834 17.39444 3.491520       24.24915 
1 1 1 8  12 52  o 39.87551 16.10097 0.9569088E-01  0.1369383     -0.4162641E-02 0.1688111     0.2878352      0.2341711     36.32869 16.28187 56.02696 21.52835 -19.69827      26.99202 
1 1 1 8  12 53  o 37.54528 14.80697 0.8958893E-01  0.1131082     0.1672404      0.1692064     0.2686169E-01  0.1520793     46.35826 18.16412 36.25155 15.88696 10.10671       24.13153 
1 1 1 8  12 54  o 43.73672 16.01212 0.1540284      0.1262936     0.4596168      0.1847969     -0.1137849     0.1729985     70.44210 18.69017 31.66039 14.97298 38.78172       23.94812 
1 1 1 8  12 55  o 43.74335 16.79592 0.1548623      0.1424688     0.1302391      0.1783486     0.1982808      0.2368290     43.20219 18.00656 48.68018 20.54822 -5.477989      27.32152 
1 1 1 8  12 56  o 33.53661 14.28268 0.4634838E-01  0.1161373     -0.3339522E-01 0.1465146     0.1811542      0.1904967     31.78738 14.60349 46.12791 18.85473 -14.34052      23.84875 
1 1 1 8  12 57  o 34.20627 14.53252 0.5695866E-01  0.1197053     0.7673669E-01  0.1516700     0.2428730E-01  0.1949360     37.58753 16.17234 37.49486 17.08107 0.9266663E-01  23.52249 
1 1 1 8  12 58  o 47.64304 17.44358 0.2239475      0.1498880     0.2774026      0.1876088     0.1296126      0.2492268     50.73895 19.32316 43.08601 19.50438 7.652939       27.45552 
1 1 1 8  12 59  o 32.34887 14.21127 0.4024281E-01  0.1223463     0.2250021      0.1563805     -0.2512936     0.1964382     46.47437 17.65545 28.12424 13.89126 18.35012       22.46513 
1 1 1 8  12 60  o 33.72422 14.58096 0.6871264E-01  0.1245080     0.1447628      0.1577184     -0.5707077E-01 0.2028355     39.68274 16.76049 32.87812 15.73451 6.804615       22.98889 
1 1 1 8  12 61  o 28.30026 12.91885 0.3982339E-02  0.1122331     0.9192899E-01  0.1433979     -0.1350719     0.1803123     35.07548 15.39781 28.49663 13.91818 6.578856       20.75592 
1 1 1 8  12 62  o 14.47621 7.252929 -0.1496547     0.6191537E-01 -0.1724136     0.7804462E-01 -0.1110065     0.1017026     16.44607 8.225554 21.60852 10.53158 -5.162455      13.36315 
1 1 1 8  12 63  o 39.00987 16.14383 0.1960180      0.1419048     0.2218514      0.1726278     0.1421851      0.2491971     39.38671 17.09888 35.62263 17.14943 3.764080       24.21724 
1 1 1 8  12 64  o 33.90405 14.92351 0.1427822      0.1354951     0.2276050      0.1691256     -0.9225735E-02 0.2264051     37.50195 16.58180 30.00664 14.83832 7.495310       22.25156 
1 1 1 8  12 65  o 33.29535 14.25629 0.1502115      0.1168372     0.2960359      0.1706167     0.2144387E-01  0.1603282     38.59877 16.87370 27.69193 13.43395 10.90684       21.56833 
1 1 1 8  12 66  o 15.54102 7.704079 -0.9589161E-01 0.6243493E-01 -0.8562776E-01 0.9534270E-01 -0.1035975     0.8261202E-01 19.74780 9.739627 17.89121 8.867841 1.856592       13.17190 
1 1 1 8  12 67  o 33.09140 14.60803 0.2371905      0.1307410     0.2078285      0.1858799     0.2659388      0.1839270     28.82321 14.08903 30.47325 14.68627 -1.650040      20.35159 
1 1 1 8  12 68  o 27.17070 12.73965 0.1607576      0.1205549     0.2416405      0.1723594     0.8329029E-01  0.1686808     27.39462 13.42783 24.00241 12.01781 3.392216       18.02038 
1 1 1 8  12 69  o 24.58211 11.87936 0.1649596      0.1223359     0.3146390      0.1754304     0.2326778E-01  0.1706853     25.75437 12.79210 21.02083 10.70017 4.733538       16.67728 
1 1 1 8  12 70  o 22.13413 10.94751 0.1755565      0.1234572     0.1722152      0.1765396     0.1787546      0.1727128     20.64643 10.54251 20.78389 10.59639 -0.1374588     14.94751 
1 1 1 8  12 71  o 17.49352 8.844721 0.4870028E-01  0.1040050     -0.8034570E-01 0.1488036     0.1719532      0.1454252     16.27447 8.384698 18.88125 9.635041 -2.606779      12.77252 
1 1 1 8  12 72  o 14.09830 7.207704 -0.4830499E-01 0.8483327E-01 0.2958025E-01  0.1226652     -0.1197075     0.1174494     15.58170 8.008161 14.09776 7.271567 1.483946       10.81695 
1 1 1 8  12 73  o 14.78857 7.566687 0.7817253E-01  0.9523016E-01 0.8740349E-01  0.1218298     0.6367344E-01  0.1526864     14.60940 7.529572 14.29952 7.412200 0.3098764      10.56575 
1 1 1 8  12 74  o 11.39686 5.877387 -0.9084420E-01 0.7615715E-01 0.4634548E-01  0.1091007     -0.2212196     0.1063567     13.04833 6.740617 11.25404 5.842202 1.794295       8.920047 
1 1 1 8  12 75  o 12.76415 6.619941 0.1936322      0.1267143     0.2266403      0.1768221     0.1587859      0.1816788     12.41292 6.459283 12.21848 6.359631 0.1944332      9.064614 
1 1 1 8  12 76  o 10.80411 5.618328 -0.2378985E-01 0.1200468     -0.2378985E-01 0.1200468     0.000000       0.000000      10.80411 5.618328 ?        ?        0.000000       5.618328 
1 1 1 8  12 77  o 10.11164 5.265776 0.8235561E-01  0.1529417     0.8235561E-01  0.1529417     0.000000       0.000000      10.11164 5.265776 ?        ?        0.000000       5.265776 
1 1 1 8  12 78  o 8.942187 4.652688 0.6681299E-01  0.2007680     0.6681299E-01  0.2007680     0.000000       0.000000      8.942187 4.652688 ?        ?        0.000000       4.652688 
1 1 1 8  12 79  f ?        ?        -0.2421719     0.5473843E-01 -0.2421719     0.5473843E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 80  o ?        ?        0.9057039E-02  0.1781598     0.9057039E-02  0.1781598     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 81  o ?        ?        -0.3166537E-01 0.1603563     -0.3166537E-01 0.1603563     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 82  o ?        ?        0.2544141      0.2582781     0.2544141      0.2582781     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 83  o ?        ?        -0.5738745E-01 0.1503977     -0.5738745E-01 0.1503977     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 84  o ?        ?        0.7530578E-01  0.2074717     0.7530578E-01  0.2074717     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  12 85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 86  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 1   o 109.8413 29.44326 1.189633       0.4556707     1.189633       0.4556707     0.000000       0.000000      109.8413 29.44326 ?        ?        0.000000       29.44326 
1 1 1 8  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 8   o 52.42112 21.10127 0.1696146      0.2344133     0.000000       0.000000      0.1696146      0.2344133     ?        ?        52.42112 21.10127 0.000000       21.10127 
1 1 1 8  13 9   o 17.84374 8.887669 -0.2135409     0.8710884E-01 -0.2135409     0.8710884E-01 0.000000       0.000000      17.84374 8.887669 ?        ?        0.000000       8.887669 
1 1 1 8  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 16  o 62.41281 23.80496 0.3138405      0.2849989     0.000000       0.000000      0.3138405      0.2849989     ?        ?        62.41281 23.80496 0.000000       23.80496 
1 1 1 8  13 17  o 39.31946 17.72021 -0.4143978E-01 0.2030770     0.000000       0.000000      -0.4143978E-01 0.2030770     ?        ?        39.31946 17.72021 0.000000       17.72021 
1 1 1 8  13 18  o ?        ?        -0.4079036     0.6755158E-01 0.000000       0.000000      -0.4079036     0.6755158E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  13 19  o 36.53043 16.71887 -0.7584734E-01 0.1895487     0.000000       0.000000      -0.7584734E-01 0.1895487     ?        ?        36.53043 16.71887 0.000000       16.71887 
1 1 1 8  13 20  o 59.99757 23.68770 0.2729589      0.2897700     0.000000       0.000000      0.2729589      0.2897700     ?        ?        59.99757 23.68770 0.000000       23.68770 
1 1 1 8  13 21  o 43.52989 19.08250 0.2331991E-01  0.2195608     0.000000       0.000000      0.2331991E-01  0.2195608     ?        ?        43.52989 19.08250 0.000000       19.08250 
1 1 1 8  13 22  o 45.47001 19.78387 0.4613877E-01  0.2321263     0.000000       0.000000      0.4613877E-01  0.2321263     ?        ?        45.47001 19.78387 0.000000       19.78387 
1 1 1 8  13 23  o 33.30165 15.55883 -0.1220171     0.1771240     0.000000       0.000000      -0.1220171     0.1771240     ?        ?        33.30165 15.55883 0.000000       15.55883 
1 1 1 8  13 24  o 70.65184 20.64258 0.4301715      0.2140198     0.6988081      0.2834148     0.7371314E-01  0.3264709     88.36809 23.00294 52.07901 23.03215 36.28907       32.55173 
1 1 1 8  13 25  f 45.77319 19.80622 0.5943200E-01  0.2301039     0.000000       0.000000      0.5943200E-01  0.2301039     ?        ?        45.77319 19.80622 0.000000       19.80622 
1 1 1 8  13 26  o 39.76003 17.97644 -0.3968461E-01 0.2109511     0.000000       0.000000      -0.3968461E-01 0.2109511     ?        ?        39.76003 17.97644 0.000000       17.97644 
1 1 1 8  13 27  o 37.27781 17.06425 -0.6891879E-01 0.1975935     0.000000       0.000000      -0.6891879E-01 0.1975935     ?        ?        37.27781 17.06425 0.000000       17.06425 
1 1 1 8  13 28  o 43.83226 18.14578 0.9287937E-01  0.1793702     0.3853487      0.2540080     -0.1980280     0.2533288     65.56956 22.85122 37.78824 17.94310 27.78132       29.05397 
1 1 1 8  13 29  f 32.99903 14.91352 -0.4093917E-01 0.1450172     0.6852669E-01  0.1989261     -0.1650960     0.2118545     43.68184 18.65013 35.02445 16.56559 8.657391       24.94486 
1 1 1 8  13 30  o 44.34337 18.33746 0.1008285      0.1828937     -0.2391358E-01 0.2561164     0.2306332      0.2612619     43.44832 19.71025 55.45301 22.29271 -12.00469      29.75666 
1 1 1 8  13 31  o 49.49694 21.29411 0.1175584      0.2628908     0.1175584      0.2628908     0.000000       0.000000      49.49694 21.29411 ?        ?        0.000000       21.29411 
1 1 1 8  13 32  o 46.32283 20.36670 0.6506604E-01  0.2517331     0.6506604E-01  0.2517331     0.000000       0.000000      46.32283 20.36670 ?        ?        0.000000       20.36670 
1 1 1 8  13 33  o 64.62828 20.92562 0.3807944      0.2131618     0.3807944      0.2131618     0.000000       0.000000      64.62828 20.92562 ?        ?        0.000000       20.92562 
1 1 1 8  13 34  o 48.39356 18.34013 0.1804172      0.1684876     0.1804172      0.1684876     0.000000       0.000000      48.39356 18.34013 ?        ?        0.000000       18.34013 
1 1 1 8  13 35  o 51.09092 19.92747 0.2091735      0.2029437     -0.1072944     0.2961657     0.4893082      0.2786464     42.18599 19.83995 69.24042 23.94494 -27.05442      31.09636 
1 1 1 8  13 36  f 43.86949 16.83931 0.1403599      0.1431793     -0.9072024E-02 0.2817384     0.1923912      0.1662480     44.08279 20.25160 48.79298 18.27695 -4.710194      27.27955 
1 1 1 8  13 37  o 37.84240 15.79644 0.6818240E-01  0.1375490     -0.3463283E-01 0.2799025     0.1009163      0.1579345     42.80476 19.84934 41.46700 17.08372 1.337753       26.18873 
1 1 1 8  13 38  o 51.51815 18.15692 0.2329980      0.1606186     0.9448718E-01  0.2917045     0.2932639      0.1924141     47.37616 21.30502 56.12488 19.86300 -8.748718      29.12803 
1 1 1 8  13 39  o 54.69127 18.82395 0.2758213      0.1721069     -0.1903039     0.3159239     0.4725382      0.2052352     40.00525 19.27194 70.02323 20.14455 -30.01799      27.87849 
1 1 1 8  13 40  o 62.59002 19.71082 0.3825632      0.1901413     -0.2134568E-01 0.3426047     0.5623469      0.2285740     44.77979 21.14474 74.66776 21.18731 -29.88796      29.93330 
1 1 1 8  13 41  o 49.78098 18.13801 0.2268827      0.1617777     -0.4846709E-01 0.2955277     0.3447035      0.1933155     41.54463 19.62362 58.61359 19.95548 -17.06896      27.98763 
1 1 1 8  13 42  o 24.37125 11.70865 -0.1237207     0.1147625     -0.1203108     0.1849995     -0.1258537     0.1463185     31.94647 15.21610 28.04361 13.40539 3.902864       20.27891 
1 1 1 8  13 43  o 28.81835 13.21178 -0.3223048E-01 0.1190626     0.7867152E-01  0.2189599     -0.7878809E-01 0.1418699     41.21360 18.50216 29.13652 13.71174 12.07709       23.02915 
1 1 1 8  13 44  o 24.51652 11.53803 -0.6906734E-01 0.1004733     0.5144700E-01  0.1227262     -0.3140075     0.1749637     33.87794 14.56126 25.51868 12.69169 8.359262       19.31604 
1 1 1 8  13 45  o 40.27766 16.28362 0.1354880      0.1402515     0.1692012      0.1765358     0.7779431E-01  0.2309388     43.22067 17.95614 40.28543 18.44358 2.935238       25.74080 
1 1 1 8  13 46  o 42.80409 16.73543 0.1762922      0.1433989     0.1717602      0.2687215     0.1780965      0.1695592     43.61767 19.94179 42.92686 17.69511 0.6908112      26.66068 
1 1 1 8  13 47  o 37.68172 15.68459 0.1181990      0.1350596     -0.1092283E-01 0.2440258     0.1752183      0.1621611     36.33725 17.35381 41.90086 17.29221 -5.563602      24.49848 
1 1 1 8  13 48  o 30.65836 14.05865 0.1139306E-01  0.1349247     -0.1823128     0.1959786     0.1859394      0.1860341     28.67238 14.10672 41.32441 17.84509 -12.65203      22.74746 
1 1 1 8  13 49  o 35.67558 16.03985 0.9848167E-01  0.1652373     0.3032055      0.2475066     -0.6613197E-01 0.2219400     44.46523 19.83680 32.24853 15.68151 12.21670       25.28653 
1 1 1 8  13 50  o 28.70763 13.53375 -0.1145145E-01 0.1393294     0.1354848      0.2152987     -0.1173291     0.1827590     36.66286 17.13746 28.11503 13.79020 8.547834       21.99687 
1 1 1 8  13 51  o 35.46478 16.08871 0.1430922      0.1706517     0.1013353      0.2537857     0.1775557      0.2305588     34.66317 16.83558 36.60686 17.30401 -1.943691      24.14260 
1 1 1 8  13 52  o 33.41966 15.48563 0.1299629      0.1698928     0.1989311      0.2548344     0.7478457E-01  0.2279386     35.15913 17.02798 32.19027 15.70595 2.968868       23.16525 
1 1 1 8  13 53  o 26.03094 12.52373 -0.1013421E-01 0.1323882     -0.1012188     0.2062834     0.5365514E-01  0.1726299     26.87575 13.43157 29.44972 14.20187 -2.573975      19.54738 
1 1 1 8  13 54  o 19.78457 9.710485 -0.8251780E-01 0.9108597E-01 -0.3872892     0.1493091     0.9813982E-01  0.1149548     18.78736 9.601484 29.24928 13.24305 -10.46192      16.35747 
1 1 1 8  13 55  o 22.48417 10.90274 -0.2186383E-01 0.1052905     -0.8158927E-01 0.1315772     0.8447570E-01  0.1755692     22.22879 11.04737 27.58106 13.52586 -5.352264      17.46406 
1 1 1 8  13 56  o 24.43998 11.76041 0.5058749E-01  0.1168658     0.1397181      0.1475419     -0.9949420E-01 0.1914545     27.45806 13.21304 22.94767 11.64570 4.510387       17.61268 
1 1 1 8  13 57  o 23.51219 11.46743 0.6242831E-01  0.1211826     0.3779652E-01  0.1556669     0.1003172      0.1930653     23.15164 11.58497 24.32962 12.27059 -1.177980      16.87539 
1 1 1 8  13 58  o 18.93590 9.327597 -0.1184569E-01 0.8654556E-01 -0.1145590E-01 0.1342695     -0.1212275E-01 0.1131982     20.37965 10.27265 19.88065 9.937787 0.4989929      14.29290 
1 1 1 8  13 59  o 13.73489 6.946545 -0.1073710     0.6445611E-01 -0.1870280     0.9165257E-01 -0.2942160E-01 0.9066484E-01 14.53730 7.436959 17.57785 8.802492 -3.040545      11.52355 
1 1 1 8  13 60  o 19.22890 9.733532 0.1048852      0.1282185     0.7983492E-01  0.1612645     0.1479353      0.2114068     18.63000 9.554554 18.93242 9.764827 -0.3024197     13.66167 
1 1 1 8  13 61  o 16.01799 8.180255 -0.1190455E-01 0.1066197     0.2443201E-01  0.1368412     -0.6804468E-01 0.1700911     16.68583 8.571411 16.14707 8.343796 0.5387630      11.96194 
1 1 1 8  13 62  o 13.94326 7.188447 -0.9727591E-01 0.1124213     0.8573736E-01  0.1788032     -0.2169230     0.1445723     15.56046 8.064711 13.73946 7.124503 1.820996       10.76095 
1 1 1 8  13 63  o 13.12866 6.763113 -0.5015224E-01 0.9631355E-01 -0.1205131     0.1222796     0.6483849E-01  0.1563219     12.97440 6.722665 14.20047 7.364500 -1.226064      9.971463 
1 1 1 8  13 64  o 13.91734 7.220076 0.2443202      0.1540457     0.1653740      0.1907735     0.3922464      0.2611408     13.33465 6.935924 13.50009 7.029832 -0.1654358     9.875504 
1 1 1 8  13 65  f 12.38658 6.440647 0.9057081E-01  0.1555499     -0.2387872E-02 0.2304331     0.1683882      0.2108329     12.12649 6.315175 12.42848 6.471200 -0.3019924     9.042006 
1 1 1 8  13 66  o 11.17053 5.809763 -0.2517777E-01 0.1308676     0.4466581E-01  0.1972985     -0.8004674E-01 0.1748735     11.37524 5.923698 11.13209 5.796519 0.2431507      8.287933 
1 1 1 8  13 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 75  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 76  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 78  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 79  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 17  o 49.39863 21.00621 0.2244273      0.2505250     0.000000       0.000000      0.2244273      0.2505250     ?        ?        49.39863 21.00621 0.000000       21.00621 
1 1 1 8  14 18  o 21.20203 10.46606 -0.2021349     0.1109426     0.000000       0.000000      -0.2021349     0.1109426     ?        ?        21.20203 10.46606 0.000000       10.46606 
1 1 1 8  14 19  o 45.77161 20.25401 0.1576282      0.2528085     0.000000       0.000000      0.1576282      0.2528085     ?        ?        45.77161 20.25401 0.000000       20.25401 
1 1 1 8  14 20  o 32.23704 14.39010 0.1125099E-01  0.1304553     0.1684921      0.1735250     -0.1931454     0.1978407     44.26274 18.03266 30.52795 14.83577 13.73479       23.35117 
1 1 1 8  14 21  o 46.13632 20.52242 0.1801042      0.2628660     0.000000       0.000000      0.1801042      0.2628660     ?        ?        46.13632 20.52242 0.000000       20.52242 
1 1 1 8  14 22  o 38.75370 17.82909 0.3499959E-01  0.2194409     0.000000       0.000000      0.3499959E-01  0.2194409     ?        ?        38.75370 17.82909 0.000000       17.82909 
1 1 1 8  14 23  o 44.93946 20.17324 0.1760079      0.2602444     0.000000       0.000000      0.1760079      0.2602444     ?        ?        44.93946 20.17324 0.000000       20.17324 
1 1 1 8  14 24  o 30.95595 14.75535 -0.8990308E-01 0.1746508     0.000000       0.000000      -0.8990308E-01 0.1746508     ?        ?        30.95595 14.75535 0.000000       14.75535 
1 1 1 8  14 25  o 28.11371 13.57490 -0.1310147     0.1589272     0.000000       0.000000      -0.1310147     0.1589272     ?        ?        28.11371 13.57490 0.000000       13.57490 
1 1 1 8  14 26  o ?        ?        -0.3142447     0.6722185E-01 0.000000       0.000000      -0.3142447     0.6722185E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  14 27  o 35.85928 15.75253 0.8045002E-01  0.1503042     0.4395109      0.2109976     -0.2894625     0.2141623     58.22070 20.77914 28.28652 14.06394 29.93418       25.09117 
1 1 1 8  14 28  o 41.63580 19.07906 0.1743205      0.2478981     0.000000       0.000000      0.1743205      0.2478981     ?        ?        41.63580 19.07906 0.000000       19.07906 
1 1 1 8  14 29  o 29.11171 13.68924 -0.3199727E-01 0.1409145     0.1202330      0.2139338     -0.1486600     0.1872815     38.46332 17.66159 28.82520 14.10098 9.638121       22.60021 
1 1 1 8  14 30  o 20.36317 10.00941 -0.1424682     0.9792423E-01 -0.1684852     0.1424403     -0.1191523     0.1348433     24.49254 12.04567 25.21580 12.25278 -0.7232590     17.18222 
1 1 1 8  14 31  o ?        ?        -0.4168133     0.6172251E-01 0.000000       0.000000      -0.4168133     0.6172251E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  14 32  o 30.25015 14.58345 -0.3509913E-01 0.1817056     0.000000       0.000000      -0.3509913E-01 0.1817056     ?        ?        30.25015 14.58345 0.000000       14.58345 
1 1 1 8  14 33  o 22.57896 11.15268 -0.1551531     0.1266563     0.000000       0.000000      -0.1551531     0.1266563     ?        ?        22.57896 11.15268 0.000000       11.15268 
1 1 1 8  14 34  o 40.32776 19.33603 0.3941109      0.3095479     0.000000       0.000000      0.3941109      0.3095479     ?        ?        40.32776 19.33603 0.000000       19.33603 
1 1 1 8  14 35  o 21.49736 10.69279 -0.1654341     0.1243223     0.000000       0.000000      -0.1654341     0.1243223     ?        ?        21.49736 10.69279 0.000000       10.69279 
1 1 1 8  14 36  o 30.28029 14.87984 0.3650110E-01  0.2159188     0.000000       0.000000      0.3650110E-01  0.2159188     ?        ?        30.28029 14.87984 0.000000       14.87984 
1 1 1 8  14 37  o 38.57029 17.53563 0.3467731      0.2041391     0.4779589      0.2861228     0.2107592      0.2913403     37.78150 18.23599 32.57146 16.22827 5.210045       24.41123 
1 1 1 8  14 38  o 28.30346 13.59279 0.7223834E-01  0.1543548     0.1074880      0.2227137     0.3965625E-01  0.2141210     29.59481 14.64931 28.23565 14.04253 1.359161       20.29273 
1 1 1 8  14 39  o 32.73974 14.88533 0.2066562      0.1471119     0.1292469      0.2586261     0.2436828      0.1788679     28.80260 14.48466 32.66454 15.37938 -3.861935      21.12654 
1 1 1 8  14 40  o 28.72719 13.95044 0.1582294      0.1740818     -0.6817204E-01 0.2467392     0.3826222      0.2456422     25.20663 12.83413 31.78059 15.66631 -6.573965      20.25211 
1 1 1 8  14 41  o 21.02097 10.48120 -0.6265038E-01 0.1224897     -0.4600389E-01 0.1799790     -0.7701369E-01 0.1671812     23.17001 11.70528 22.37659 11.30171 0.7934208      16.27090 
1 1 1 8  14 42  o 24.35180 12.13581 0.9144574E-01  0.1633364     0.2117604      0.2355545     -0.1997964E-01 0.2266858     25.60802 12.98757 23.07862 11.79751 2.529392       17.54589 
1 1 1 8  14 43  o 23.18858 11.64285 0.1042586      0.1637699     0.1096554      0.2376983     0.9938174E-01  0.2259585     22.95319 11.76009 22.88531 11.70514 0.6787682E-01  16.59246 
1 1 1 8  14 44  o 20.46354 10.34445 0.2258772E-01  0.1418721     -0.2463060     0.2081740     0.2557848      0.1938642     18.81125 9.701755 23.50134 11.90423 -4.690094      15.35691 
1 1 1 8  14 45  o 20.39986 10.39972 0.1032155      0.1660716     0.1902748      0.2436507     0.2767638E-01  0.2269582     20.63806 10.63726 19.66208 10.14007 0.9759789      14.69600 
1 1 1 8  14 46  o 17.88842 9.163263 0.7494348E-02  0.1435991     0.5329636E-01  0.2118754     -0.3141998E-01 0.1952958     18.41761 9.510077 17.85864 9.217773 0.5589676      13.24420 
1 1 1 8  14 47  o 15.86475 8.152127 -0.6918425E-01 0.1250011     -0.3755989E-01 0.1889597     -0.9379216E-01 0.1666846     16.74160 8.660082 16.23708 8.385977 0.5045185      12.05494 
1 1 1 8  14 48  o 15.81342 8.156205 0.1404300E-01  0.1475473     0.1263870      0.2251603     -0.7050622E-01 0.1953312     16.31798 8.471697 15.52094 8.054034 0.7970390      11.68919 
1 1 1 8  14 49  o 14.66940 7.533705 0.8248521E-02  0.1044111     0.1147778      0.1286291     -0.1975271     0.1787728     15.73293 8.089951 14.03270 7.290138 1.700237       10.89006 
1 1 1 8  14 50  o 13.87081 7.186385 0.1624667E-01  0.1389289     0.1028444      0.2010499     -0.6289431E-01 0.1921991     14.16925 7.367067 13.66528 7.106220 0.5039721      10.23582 
1 1 1 8  14 51  o 12.52271 6.493798 -0.6507923E-01 0.1205697     -0.4468330E-02 0.1840193     -0.1106708     0.1595990     13.00027 6.762908 12.59486 6.548424 0.4054136      9.413754 
1 1 1 8  14 52  o 12.11838 6.294137 -0.4954910E-01 0.1299538     0.9284184E-01  0.1991411     -0.1551610     0.1715047     12.61695 6.567742 11.98409 6.237192 0.6328602      9.057472 
1 1 1 8  14 53  o 11.43731 5.945470 -0.5062221E-01 0.1275519     0.2824902E-01  0.1945907     -0.1100402     0.1688969     11.74864 6.117522 11.42399 5.947518 0.3246450      8.532118 
1 1 1 8  14 54  o 10.25111 5.330541 -0.1590528     0.1073563     0.000000       0.000000      -0.1590528     0.1073563     ?        ?        10.25111 5.330541 0.000000       5.330541 
1 1 1 8  14 55  o 9.923560 5.165993 -0.1341302     0.1252789     0.000000       0.000000      -0.1341302     0.1252789     ?        ?        9.923560 5.165993 0.000000       5.165993 
1 1 1 8  14 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 1   o 23.62610 11.85802 -0.7201149E-01 0.1690794     -0.7201149E-01 0.1690794     0.000000       0.000000      23.62610 11.85802 ?        ?        0.000000       11.85802 
1 1 1 8  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 8   o 24.65507 12.39440 0.1523312E-01  0.1885036     0.000000       0.000000      0.1523312E-01  0.1885036     ?        ?        24.65507 12.39440 0.000000       12.39440 
1 1 1 8  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 18  o 23.24529 11.95457 0.3439231      0.2825062     0.000000       0.000000      0.3439231      0.2825062     ?        ?        23.24529 11.95457 0.000000       11.95457 
1 1 1 8  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 20  o 21.64272 11.14849 0.2686875      0.2612193     0.2686875      0.2612193     0.000000       0.000000      21.64272 11.14849 ?        ?        0.000000       11.14849 
1 1 1 8  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 28  o ?        ?        -0.2393837     0.5672950E-01 0.000000       0.000000      -0.2393837     0.5672950E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  15 29  o 13.15330 6.796377 -0.1419940     0.1124279     0.000000       0.000000      -0.1419940     0.1124279     ?        ?        13.15330 6.796377 0.000000       6.796377 
1 1 1 8  15 30  o 14.59218 7.532628 0.1030588      0.1310556     0.1222695      0.1607005     0.6490974E-01  0.2264579     14.50437 7.520946 14.14141 7.358030 0.3629656      10.52166 
1 1 1 8  15 31  f 13.73856 7.151035 0.1295591      0.2345665     0.000000       0.000000      0.1295591      0.2345665     ?        ?        13.73856 7.151035 0.000000       7.151035 
1 1 1 8  15 32  o 12.93826 6.732637 -0.6361032E-02 0.1919861     0.000000       0.000000      -0.6361032E-02 0.1919861     ?        ?        12.93826 6.732637 0.000000       6.732637 
1 1 1 8  15 33  o ?        ?        -0.3369977     0.6335653E-01 0.000000       0.000000      -0.3369977     0.6335653E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  15 34  o 11.49929 5.979535 -0.1514491     0.1348731     0.000000       0.000000      -0.1514491     0.1348731     ?        ?        11.49929 5.979535 0.000000       5.979535 
1 1 1 8  15 35  o 11.61006 6.045257 -0.3756143E-01 0.1880795     0.000000       0.000000      -0.3756143E-01 0.1880795     ?        ?        11.61006 6.045257 0.000000       6.045257 
1 1 1 8  15 36  o ?        ?        -0.3007696     0.6377736E-01 0.000000       0.000000      -0.3007696     0.6377736E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  15 37  o 10.68901 5.566498 -0.2459413E-01 0.1904943     0.000000       0.000000      -0.2459413E-01 0.1904943     ?        ?        10.68901 5.566498 0.000000       5.566498 
1 1 1 8  15 38  o 10.42754 5.426713 0.1722982      0.2593088     0.000000       0.000000      0.1722982      0.2593088     ?        ?        10.42754 5.426713 0.000000       5.426713 
1 1 1 8  15 39  o ?        ?        -0.2689641     0.5806746E-01 0.000000       0.000000      -0.2689641     0.5806746E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  15 40  o 9.265083 4.820523 0.6359640E-01  0.2172181     0.000000       0.000000      0.6359640E-01  0.2172181     ?        ?        9.265083 4.820523 0.000000       4.820523 
1 1 1 8  15 41  o 8.752461 4.548900 0.1228638      0.2342058     0.000000       0.000000      0.1228638      0.2342058     ?        ?        8.752461 4.548900 0.000000       4.548900 
1 1 1 8  15 42  o 7.944752 4.136971 -0.1586951     0.1261226     0.000000       0.000000      -0.1586951     0.1261226     ?        ?        7.944752 4.136971 0.000000       4.136971 
1 1 1 8  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 2   o ?        ?        -0.3293638     0.6312653E-01 -0.3293638     0.6312653E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 8  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 8   o ?        ?        0.7160664E-01  0.2244126     0.000000       0.000000      0.7160664E-01  0.2244126     ?        ?        ?        ?        0.000000       ?        
1 1 1 8  16 9   o ?        ?        -0.3700085     0.5944430E-01 0.000000       0.000000      -0.3700085     0.5944430E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 8  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  0  0   o 436.8467 23.63910 13.45250       1.416389      13.45250       1.416389      0.000000       0.000000      436.8467 23.63910 436.8467 23.63910 0.000000       0.000000 
1 1 1 9  0  1   f 313.7277 23.23125 7.065694       0.9936983     7.065694       0.9936983     0.000000       0.000000      313.7277 23.23125 313.7277 23.23125 0.000000       0.000000 
1 1 1 9  0  2   o 235.6035 23.26834 4.031770       0.7400382     4.031770       0.7400382     0.000000       0.000000      235.6035 23.26834 235.6035 23.26834 0.000000       0.000000 
1 1 1 9  0  3   o 251.5592 23.22611 4.580934       0.7909693     4.580934       0.7909693     0.000000       0.000000      251.5592 23.22611 251.5592 23.22611 0.000000       0.000000 
1 1 1 9  0  4   o 64.91752 26.79329 0.4172137      0.2381811     0.4172137      0.2381811     0.000000       0.000000      64.91752 26.79329 64.91752 26.79329 0.000000       0.000000 
1 1 1 9  0  5   o 430.6492 23.64965 13.23720       1.396633      13.23720       1.396633      0.000000       0.000000      430.6492 23.64965 430.6492 23.64965 0.000000       0.000000 
1 1 1 9  0  6   f 445.3294 23.72174 14.15156       1.449245      14.15156       1.449245      0.000000       0.000000      445.3294 23.72174 445.3294 23.72174 0.000000       0.000000 
1 1 1 9  0  7   o 487.6148 23.98091 16.95605       1.605751      16.95605       1.605751      0.000000       0.000000      487.6148 23.98091 487.6148 23.98091 0.000000       0.000000 
1 1 1 9  0  8   o 645.8873 25.24669 29.75829       2.243828      29.75829       2.243828      0.000000       0.000000      645.8873 25.24669 645.8873 25.24669 0.000000       0.000000 
1 1 1 9  0  9   o 638.4125 17.74919 28.60488       1.561918      28.92056       2.197507      28.28258       2.220441      636.8052 25.07948 629.2476 25.65211 0.000000       0.000000 
1 1 1 9  0  10  o 573.1526 17.35280 23.05124       1.370490      24.06063       1.946799      22.05956       1.929646      581.1191 24.35884 555.6430 25.26934 0.000000       0.000000 
1 1 1 9  0  11  o 494.1475 16.97450 17.13744       1.155123      18.97425       1.659328      15.41033       1.609016      516.3680 23.38122 463.8210 25.29495 0.000000       0.000000 
1 1 1 9  0  12  o 264.5001 13.19392 4.903794       0.4791432     4.450649       0.8179368     5.140531       0.5911996     247.1595 24.52021 269.9271 15.99016 0.000000       0.000000 
1 1 1 9  0  13  f 229.1296 13.05599 3.687455       0.4100071     3.434781       0.7045206     3.816859       0.5041817     216.3625 24.37815 232.2186 15.89457 0.000000       0.000000 
1 1 1 9  0  14  o 251.3169 16.12850 4.464599       0.5544119     0.000000       0.000000      4.464599       0.5544119     251.3169 16.12850 251.3169 16.12850 0.000000       0.000000 
1 1 1 9  0  15  f 303.9814 13.20040 6.465374       0.5517023     5.851442       0.9543820     6.773496       0.6761180     284.2164 24.75017 310.2813 15.87565 0.000000       0.000000 
1 1 1 9  0  16  o 444.4518 13.54144 13.78792       0.8293046     13.65872       1.015858      14.04605       1.435912      441.0971 16.73332 443.7650 23.58566 0.000000       0.000000 
1 1 1 9  0  17  o 582.5384 12.29986 23.61816       0.9883839     26.41066       1.445151      21.16395       1.354793      613.8229 17.08021 548.8973 17.91816 0.000000       0.000000 
1 1 1 9  0  18  o 717.2552 12.82322 35.81047       1.269100      35.28585       1.786824      36.34454       1.802840      708.9985 18.27895 719.6470 18.16877 0.000000       0.000000 
1 1 1 9  0  19  o 677.5363 12.65084 31.94908       1.182628      32.90737       1.693071      31.03600       1.652640      684.8895 17.93040 665.0335 18.02681 0.000000       0.000000 
1 1 1 9  0  20  o 406.1023 11.69450 11.48199       0.6545449     13.05255       0.9482837     10.05281       0.9045937     431.5549 15.96301 377.9299 17.41850 0.000000       0.000000 
1 1 1 9  0  21  o 228.5572 11.32795 3.652864       0.3555035     4.073534       0.5083504     3.250209       0.4973459     240.2110 15.47337 213.6443 17.11141 0.000000       0.000000 
1 1 1 9  0  22  o 350.6563 11.55663 8.565254       0.5581886     9.717284       0.8069375     7.508212       0.7729543     372.2083 15.76490 326.3680 17.26204 0.000000       0.000000 
1 1 1 9  0  23  o 532.6129 12.04813 19.73605       0.8850489     19.71038       1.256785      19.76131       1.246574      530.1660 17.20873 530.9308 17.04343 0.000000       0.000000 
1 1 1 9  0  24  o 422.8609 11.69978 12.44479       0.6819627     13.77682       0.9854748     11.22072       0.9446987     443.4106 16.14394 399.5749 17.19453 0.000000       0.000000 
1 1 1 9  0  25  o 347.8420 13.23713 8.450791       0.6336997     8.378077       1.097051      8.487206       0.7763149     342.1353 23.47529 347.5817 16.25596 0.000000       0.000000 
1 1 1 9  0  26  o 362.3207 16.37578 9.218863       0.8154712     9.798509       1.161885      8.656134       1.144806      370.6971 22.89918 347.5426 24.12221 0.000000       0.000000 
1 1 1 9  0  27  o 205.3523 13.15123 2.967319       0.3694029     2.877690       0.4522808     3.146917       0.6402309     201.0627 16.54857 207.6756 23.05240 0.000000       0.000000 
1 1 1 9  0  28  f 231.2523 11.30952 3.737427       0.3591642     4.022060       0.5116822     3.460981       0.5042688     238.6791 15.68086 220.8019 16.76156 0.000000       0.000000 
1 1 1 9  0  29  o 338.5155 11.44450 7.979712       0.5335642     7.617519       0.7519271     8.347049       0.7572486     329.1274 16.64236 344.8754 15.97965 0.000000       0.000000 
1 1 1 9  0  30  o 311.3974 11.41037 6.755777       0.4891338     6.537222       0.6911671     6.975058       0.6923137     304.7682 16.53509 315.0764 16.00718 0.000000       0.000000 
1 1 1 9  0  31  o 401.1400 11.61542 11.19563       0.6421617     11.61946       0.9154752     10.78509       0.9010051     407.1710 16.34272 392.0719 16.71175 0.000000       0.000000 
1 1 1 9  0  32  o 432.8511 11.71623 13.03207       0.6991080     13.11023       0.9917071     12.95487       0.9856964     432.5199 16.66116 429.9386 16.66027 0.000000       0.000000 
1 1 1 9  0  33  o 382.7703 11.58601 10.19499       0.6110945     9.854511       0.8623282     10.53847       0.8661207     374.7014 16.74278 387.7419 16.24179 0.000000       0.000000 
1 1 1 9  0  34  o 345.1217 13.32526 8.315496       0.6328682     9.541442       1.121394      7.742548       0.7666206     366.3167 22.36077 331.8435 16.82929 0.000000       0.000000 
1 1 1 9  0  35  o 210.7831 13.19731 3.123334       0.3806618     3.259202       0.6646635     3.057018       0.4643600     211.4028 23.51360 207.4660 16.44729 0.000000       0.000000 
1 1 1 9  0  36  o 118.6471 13.92608 1.018062       0.2199263     0.9548047      0.2705365     1.141320       0.3776423     112.4415 19.07208 119.8895 26.02391 0.000000       0.000000 
1 1 1 9  0  37  o 184.4850 11.42404 2.388143       0.2884599     2.340357       0.4098246     2.435062       0.4060889     180.9184 16.73415 184.8269 16.19793 0.000000       0.000000 
1 1 1 9  0  38  o 218.9889 13.21015 3.368624       0.3961260     3.411629       0.6892952     3.347417       0.4840389     216.2997 23.81504 217.2995 16.34442 0.000000       0.000000 
1 1 1 9  0  39  o 329.5005 13.30197 7.582732       0.6029743     7.523858       1.046198      7.612017       0.7378503     324.2112 23.65896 329.1881 16.32409 0.000000       0.000000 
1 1 1 9  0  40  o 332.1218 13.31669 7.704107       0.6084744     7.722997       1.056655      7.694735       0.7442607     328.5386 23.57088 330.9454 16.37810 0.000000       0.000000 
1 1 1 9  0  41  o 206.6774 13.25447 3.005290       0.3746952     2.989623       0.6510139     3.013052       0.4581958     201.7184 24.30782 205.9445 16.34952 0.000000       0.000000 
1 1 1 9  0  42  o 289.5047 13.26727 5.862969       0.5278286     5.585728       0.9125294     6.002365       0.6470577     278.2664 24.16857 292.0384 16.15904 0.000000       0.000000 
1 1 1 9  0  43  o 248.6696 13.25839 4.335722       0.4522951     4.236946       0.7839627     4.385004       0.5537469     241.5343 24.05323 249.1366 16.25540 0.000000       0.000000 
1 1 1 9  0  44  o 258.2063 13.26504 4.672754       0.4700989     4.611367       0.8155813     4.703296       0.5752771     252.2639 23.90726 258.0807 16.29180 0.000000       0.000000 
1 1 1 9  0  45  o 298.3474 13.32084 6.228876       0.5462815     5.876879       0.9436899     6.406278       0.6699437     285.1865 24.37376 301.6395 16.19125 0.000000       0.000000 
1 1 1 9  0  46  o 354.0236 16.56995 8.814459       0.8059692     8.390805       1.134119      9.246729       1.145593      341.7141 24.31872 359.5106 23.30160 0.000000       0.000000 
1 1 1 9  0  47  o 325.8269 13.46395 7.427457       0.6034045     7.329309       0.7396452     7.622754       1.043356      322.5052 16.71164 325.8092 23.47153 0.000000       0.000000 
1 1 1 9  0  48  o 325.2021 11.63211 7.375903       0.5208201     7.538788       0.7405236     7.216466       0.7326413     327.1411 16.48886 319.9405 16.68746 0.000000       0.000000 
1 1 1 9  0  49  f 304.8340 11.61468 6.485219       0.4872758     6.897633       0.6951973     6.086935       0.6831839     312.8750 16.19057 293.4483 16.99075 0.000000       0.000000 
1 1 1 9  0  50  o 364.6670 13.58196 9.304322       0.6817539     9.486806       0.8392127     8.950167       1.169113      367.0359 16.63650 352.5013 24.28378 0.000000       0.000000 
1 1 1 9  0  51  o 441.8154 13.79969 13.65026       0.8400165     13.58466       1.029980      13.78057       1.451648      439.2892 17.03831 438.2459 24.15640 0.000000       0.000000 
1 1 1 9  0  52  o 348.5584 13.59940 8.510208       0.6522728     9.103559       0.8074952     7.396088       1.106497      359.4351 16.34676 318.8862 25.50437 0.000000       0.000000 
1 1 1 9  0  53  o 204.3499 13.60136 2.950799       0.3798893     3.029654       0.4684350     2.799298       0.6492947     205.9044 16.72985 193.3329 25.56780 0.000000       0.000000 
1 1 1 9  0  54  o 298.7126 16.75133 6.317707       0.6859720     7.635111       0.9944698     5.121912       0.9474584     325.6892 22.35495 263.3047 26.68789 0.000000       0.000000 
1 1 1 9  0  55  o 291.6860 16.75572 6.028649       0.6697695     6.862978       0.9635228     5.248565       0.9316741     308.1206 22.93889 267.0822 25.81671 0.000000       0.000000 
1 1 1 9  0  56  o 248.8986 16.89878 4.408472       0.5746395     4.408472       0.5746395     0.000000       0.000000      248.8986 16.89878 248.8986 16.89878 0.000000       0.000000 
1 1 1 9  0  57  o 109.4225 15.49953 0.8859069      0.2206308     0.7878375      0.2720933     1.074172       0.3769960     98.62447 22.97840 114.1359 27.59456 0.000000       0.000000 
1 1 1 9  0  58  o 216.0503 13.68800 3.298340       0.4045925     3.480624       0.4992400     2.949530       0.6906031     220.8556 16.58559 197.6829 26.66535 0.000000       0.000000 
1 1 1 9  0  59  o 149.9113 12.22137 1.596474       0.2491154     1.802025       0.3562873     1.399869       0.3484483     157.6046 16.85820 136.9544 19.58663 0.000000       0.000000 
1 1 1 9  0  60  o 206.0021 11.88065 2.985057       0.3353760     2.986155       0.4774832     2.983988       0.4711665     203.9679 17.23665 203.9993 16.99812 0.000000       0.000000 
1 1 1 9  0  61  o 71.99232 16.63322 0.4150155      0.1438904     0.3227864      0.2083345     0.4991414      0.1989719     55.92298 25.18409 76.43901 21.75634 0.000000       0.000000 
1 1 1 9  0  62  o 136.8897 12.48775 1.338509       0.2315276     1.494756       0.3320978     1.190750       0.3229525     142.6941 17.56927 125.3341 20.24510 0.000000       0.000000 
1 1 1 9  0  63  o 285.6096 11.82061 5.712803       0.4643614     5.545141       0.6580625     5.879090       0.6553583     279.1353 17.22343 287.7963 16.61811 0.000000       0.000000 
1 1 1 9  0  64  o 89.16072 14.79498 0.5990457      0.1670676     0.6131265      0.2406586     0.5859472      0.2321117     84.72068 23.76816 82.69501 23.46554 0.000000       0.000000 
1 1 1 9  0  65  o 130.0311 14.86002 1.228821       0.2578030     1.150662       0.4503603     1.266916       0.3144136     114.3852 32.88118 130.3540 18.55514 0.000000       0.000000 
1 1 1 9  0  66  o 156.8487 17.91925 1.799126       0.3750008     1.695350       0.5343119     1.899866       0.5264382     144.7867 30.33935 156.4478 26.70557 0.000000       0.000000 
1 1 1 9  0  67  o 166.4678 14.38406 1.982423       0.3249566     2.032072       0.4020741     1.888914       0.5517963     166.9897 17.96281 154.6140 28.77066 0.000000       0.000000 
1 1 1 9  0  68  o 71.59509 17.74739 0.4186706      0.1518541     0.3551480      0.2202257     0.4762501      0.2096710     58.77542 25.88274 72.81519 23.58817 0.000000       0.000000 
1 1 1 9  0  69  o 177.4304 12.30278 2.227713       0.2980902     2.192147       0.4254096     2.262021       0.4178192     173.4604 18.22120 176.6265 17.52748 0.000000       0.000000 
1 1 1 9  0  70  o 198.5191 12.20264 2.780688       0.3316025     2.837255       0.4736068     2.726289       0.4644411     198.2744 17.61867 194.2563 17.64983 0.000000       0.000000 
1 1 1 9  0  71  o 109.6203 14.01704 0.8806701      0.2026825     0.8497745      0.2923806     0.9092515      0.2812178     102.0426 23.87399 107.6450 21.28312 0.000000       0.000000 
1 1 1 9  0  72  f 64.88202 19.57213 0.3664490      0.1529094     0.4054126      0.2247521     0.3328720      0.2086390     63.71918 25.98160 56.76535 25.19615 0.000000       0.000000 
1 1 1 9  0  73  o 47.10069 20.67453 0.2257108      0.1405299     0.2976281      0.2076672     0.1649559      0.1908720     53.07355 25.06289 40.72172 22.73966 0.000000       0.000000 
1 1 1 9  0  74  o 20.70268 13.95198 -0.4836639E-01 0.1149978     -0.1407544     0.2293032     -0.1732154E-01 0.1329220     27.48424 18.84410 24.18263 15.86868 0.000000       0.000000 
1 1 1 9  0  75  o 90.26426 25.99271 0.7119543      0.2809793     0.8542032      0.4073359     0.5828286      0.3880918     93.02573 34.26345 72.57468 34.26325 0.000000       0.000000 
1 1 1 9  0  76  o 16.65033 11.78074 -0.1369440     0.1111916     -0.2441367     0.1432921     0.2528821E-01  0.1762820     17.14162 12.33338 30.14751 19.20520 0.000000       0.000000 
1 1 1 9  0  77  o 93.26027 16.75264 0.6706979      0.1950290     0.6944265      0.2836187     0.6494130      0.2686176     87.88054 26.76410 84.87346 26.19290 0.000000       0.000000 
1 1 1 9  0  78  o 103.7066 15.59821 0.8102295      0.2084550     0.7786484      0.3021845     0.8389018      0.2879315     93.72481 26.92742 100.3093 23.95948 0.000000       0.000000 
1 1 1 9  0  79  o 47.57014 21.75738 0.2388240      0.1557477     0.2656683      0.2314539     0.2166100      0.2105483     49.04755 25.78741 44.81501 24.27761 0.000000       0.000000 
1 1 1 9  0  80  o 48.70662 21.77424 0.2494173      0.1557775     0.1226921      0.2309908     0.3551298      0.2109729     38.62344 23.40826 57.86912 25.33047 0.000000       0.000000 
1 1 1 9  0  81  o 88.57578 18.68020 0.6320307      0.2010727     0.5546536      0.2924603     0.7013915      0.2768970     72.31570 29.66346 87.81882 26.22374 0.000000       0.000000 
1 1 1 9  0  82  o 140.6091 14.07603 1.450581       0.2670131     1.548696       0.3858084     1.360380       0.3699197     140.5433 21.33756 130.3783 22.57785 0.000000       0.000000 
1 1 1 9  0  83  o 123.3414 14.94968 1.136523       0.2446593     1.197302       0.3539584     1.080918       0.3385564     120.4019 23.97868 113.3161 24.69703 0.000000       0.000000 
1 1 1 9  0  84  o 94.08211 18.20741 0.7074239      0.2110414     0.5254586      0.3053377     0.8738649      0.2920225     67.72749 30.48829 100.8945 24.16375 0.000000       0.000000 
1 1 1 9  0  85  o 165.9507 15.68885 2.044885       0.3521249     2.072989       0.6116007     2.030950       0.4306651     151.2166 33.50253 161.9042 20.09762 0.000000       0.000000 
1 1 1 9  0  86  o 138.4067 21.71016 1.531581       0.3844344     1.539337       0.5436960     1.523828       0.5436486     124.3754 36.44501 123.3220 36.68401 0.000000       0.000000 
1 1 1 9  0  87  o 88.49924 23.08393 0.6871324      0.2437532     0.7580640      0.3003123     0.5501749      0.4172982     88.99269 27.85361 64.49876 34.41999 0.000000       0.000000 
1 1 1 9  0  88  o 129.5137 14.91034 1.257597       0.2574719     1.340507       0.3659025     1.176283       0.3623639     127.8194 22.92603 116.9072 25.64291 0.000000       0.000000 
1 1 1 9  0  89  o 110.0717 16.61425 0.9375247      0.2355134     1.156561       0.3365965     0.7274421      0.3296448     117.8026 23.27500 82.88395 30.92514 0.000000       0.000000 
1 1 1 9  0  90  o 167.5613 13.79996 2.059160       0.3143106     2.109574       0.4459223     2.009384       0.4430957     164.1209 20.54922 159.5152 21.15533 0.000000       0.000000 
1 1 1 9  0  91  o 181.2100 13.69995 2.399469       0.3382935     2.487544       0.4795608     2.312227       0.4772859     179.2133 20.01905 171.7382 20.96109 0.000000       0.000000 
1 1 1 9  0  92  o 204.1814 13.50265 3.032588       0.3768713     3.168857       0.5343241     2.897686       0.5316390     203.4198 19.42997 193.3110 20.43969 0.000000       0.000000 
1 1 1 9  0  93  o 219.4200 13.42500 3.497674       0.4032626     3.526778       0.5710557     3.468724       0.5695463     214.4001 19.66989 212.4410 19.81169 0.000000       0.000000 
1 1 1 9  0  94  o 188.9695 16.24365 2.671511       0.4166462     2.518141       0.7238529     2.747500       0.5095126     161.2806 37.36042 187.8638 20.23539 0.000000       0.000000 
1 1 1 9  0  95  o 137.8212 18.22476 1.479971       0.3299334     1.506291       0.4028427     1.426343       0.5750225     134.1059 24.05820 109.8879 40.79093 0.000000       0.000000 
1 1 1 9  0  96  o 94.36745 18.72853 0.7304444      0.2168042     0.9786584      0.3115331     0.4973306      0.3019082     105.2871 24.65611 63.20396 30.17688 0.000000       0.000000 
1 1 1 9  0  97  o 74.50160 22.05607 0.5156441      0.1973363     0.7786282      0.2906465     0.2907333      0.2687852     89.32234 27.01292 47.74307 26.85734 0.000000       0.000000 
1 1 1 9  0  98  o 180.6180 13.77799 2.440665       0.3390271     2.868941       0.4908567     2.049987       0.4688160     189.5453 19.20652 154.7593 23.55726 0.000000       0.000000 
1 1 1 9  0  99  o 126.0420 16.10290 1.255445       0.2677544     1.539876       0.3885109     0.9981334      0.3695260     132.2996 23.46987 94.67984 31.68552 0.000000       0.000000 
1 1 1 9  0  100 o 160.1586 14.63207 1.987838       0.3173792     1.966490       0.4546164     2.008135       0.4432821     147.0877 24.40355 150.6098 22.88005 0.000000       0.000000 
1 1 1 9  0  101 o 126.2608 16.55257 1.307371       0.2748409     1.719743       0.3971347     0.9283242      0.3807503     137.2402 22.86470 80.91983 33.93302 0.000000       0.000000 
1 1 1 9  0  102 o 68.43857 23.98808 0.5255800      0.2054023     0.4862062      0.2921662     0.5640593      0.2888279     53.43504 28.70907 59.76288 29.37353 0.000000       0.000000 
1 1 1 9  0  103 f 114.3226 17.44786 1.157402       0.2563888     1.237636       0.3680296     1.081743       0.3573818     98.26643 30.88540 87.43386 32.05578 0.000000       0.000000 
1 1 1 9  0  104 o 25.07565 16.92444 0.2777831E-01  0.1704186     0.4046215      0.3204446     -0.1208384     0.2012364     40.44550 25.81571 22.01368 15.62654 0.000000       0.000000 
1 1 1 9  0  105 o 35.42022 22.61875 0.3039932      0.2463474     0.4040872      0.3680021     0.2227177      0.3316088     35.09818 24.01312 31.25430 21.72675 0.000000       0.000000 
1 1 1 9  0  106 o 23.06949 15.77633 0.5123172E-01  0.1584456     -0.7122658E-01 0.2000070     0.2575923      0.2596357     20.93776 14.98581 29.90432 20.38267 0.000000       0.000000 
1 1 1 9  0  107 o 20.69351 14.26401 0.4470376E-01  0.1355375     -0.7645840E-01 0.1978059     0.1519365      0.1860884     19.30684 13.97569 24.73188 16.96201 0.000000       0.000000 
1 1 1 9  0  108 o 21.49802 14.77649 0.1232619      0.1430285     -0.1212740     0.2078480     0.3432141      0.1971236     17.18261 12.63713 27.20836 18.31558 0.000000       0.000000 
1 1 1 9  0  109 o 19.28812 13.63717 0.1540991      0.1481062     0.2642343      0.2158436     0.5610441E-01  0.2035998     19.70660 14.30832 17.02155 12.51763 0.000000       0.000000 
1 1 1 9  0  110 o 15.76812 11.48084 0.1237876      0.1445973     -0.3232610E-01 0.2104091     0.2634955      0.1990465     14.03007 10.46444 16.64092 12.25036 0.000000       0.000000 
1 1 1 9  0  111 o 11.12677 8.269956 -0.6784995E-01 0.1158662     -0.1738958     0.1702603     0.2362413E-01  0.1581305     11.20860 8.364610 12.30861 9.175482 0.000000       0.000000 
1 1 1 9  0  112 o 11.13577 8.319019 0.5426085E-01  0.1516222     -0.2752606E-02 0.2594850     0.8381895E-01  0.1868365     10.95786 8.206935 11.23856 8.396051 0.000000       0.000000 
1 1 1 9  0  113 o 9.766403 7.311317 0.5192199E-01  0.1884109     0.1189210      0.2643140     -0.1729093E-01 0.2686455     9.832609 7.368651 9.643943 7.227573 0.000000       0.000000 
1 1 1 9  0  114 o 8.408392 6.300817 0.3168406E-01  0.1831318     0.1238430      0.2578383     -0.6213639E-01 0.2601521     8.492211 6.364980 8.317738 6.233684 0.000000       0.000000 
1 1 1 9  0  115 o 7.171736 5.374527 0.1622689      0.2097528     0.9862012E-01  0.2951692     0.2271980      0.2981234     7.087170 5.307497 7.141631 5.348667 0.000000       0.000000 
1 1 1 9  0  116 o 5.987897 4.484077 0.2461505      0.2234582     0.3216677      0.3140238     0.1686844      0.3180500     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  0  117 o 4.760985 3.564333 -0.8913076E-01 0.1572630     -0.6371768E-01 0.2185088     -0.1164400     0.2265142     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  0  118 o ?        ?        -0.1362543     0.1549342     -0.4310526     0.2112561     0.2068571      0.2279105     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  0  119 o ?        ?        0.2689013E-01  0.1866882     -0.1533956     0.2614694     0.2143774      0.2666405     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  0  120 o ?        ?        0.7373950E-01  0.1978457     0.4382383E-01  0.2794593     0.1037998      0.2801339     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  0  121 o ?        ?        0.3298406      0.2459564     0.1251166E-01  0.3470772     0.6499561      0.3485977     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 9  1  0   o 97.30656 28.83360 0.8229448      0.3369834     0.8229448      0.3369834     0.000000       0.000000      97.30656 28.83360 97.30656 28.83360 0.000000       0.000000 
1 1 1 9  1  1   o 161.1485 13.07168 1.831927       0.2883613     2.006411       0.3528101     1.480819       0.5004762     168.0325 15.37629 139.9957 26.86697 28.03680       30.95584 
1 1 1 9  1  2   o 140.1514 13.10270 1.388561       0.2506270     1.523193       0.3069152     1.119093       0.4342091     146.2089 15.43552 121.3915 26.63597 24.81744       30.78523 
1 1 1 9  1  3   o 127.5059 13.13198 1.151390       0.2278983     1.203386       0.2787386     1.046546       0.3958091     129.6469 15.90380 117.8236 25.09713 11.82336       29.71189 
1 1 1 9  1  4   f 136.5277 11.27776 1.310279       0.2107056     1.064029       0.2978049     1.557117       0.2981608     121.0598 18.39416 148.0279 14.78487 -26.96811      23.59952 
1 1 1 9  1  5   o 315.5479 11.37525 6.955100       0.4956377     7.073840       0.7042040     6.838536       0.6977161     315.9712 16.19477 310.5935 16.32581 5.377655       22.99571 
1 1 1 9  1  6   o 159.9666 11.26835 1.795581       0.2473109     1.911412       0.3525921     1.683411       0.3469764     163.8434 15.78010 153.4021 16.64784 10.44127       22.93822 
1 1 1 9  1  7   o 150.6476 11.25101 1.593362       0.2323518     1.752290       0.3311277     1.439206       0.3261198     156.9023 15.48570 141.5970 17.02059 15.30534       23.01103 
1 1 1 9  1  8   o 286.8618 11.34370 5.747715       0.4493298     6.376228       0.6449147     5.154796       0.6263869     300.2170 15.61096 269.2734 16.93279 30.94360       23.03088 
1 1 1 9  1  9   o 338.4709 11.46882 8.003841       0.5360164     8.333986       0.7676701     7.689758       0.7487668     343.3781 16.19064 329.7177 16.44623 13.66040       23.07846 
1 1 1 9  1  10  o 252.7701 11.31402 4.462409       0.3948940     5.245737       0.5701944     3.740379       0.5474299     272.4007 15.22009 229.0117 17.44258 43.38895       23.14940 
1 1 1 9  1  11  o 278.3751 13.16527 5.434152       0.5060552     5.739340       0.6272960     4.865363       0.8563746     284.6099 16.02713 257.6703 24.35806 26.93958       29.15792 
1 1 1 9  1  12  o 136.9241 13.25915 1.326597       0.2475478     1.424121       0.3064258     1.143371       0.4200135     141.1580 16.00388 123.1197 25.54290 18.03831       30.14240 
1 1 1 9  1  13  f 234.7554 10.12039 3.839953       0.3280580     4.768575       0.5302494     3.264069       0.4175688     259.8465 14.83988 215.0662 14.13987 44.78023       20.49776 
1 1 1 9  1  14  o 319.3017 11.38536 7.120943       0.5019794     7.779287       1.018207      6.909552       0.5769696     327.5350 22.65252 313.8640 13.31292 13.67096       26.27490 
1 1 1 9  1  15  o 297.5490 10.19016 6.169271       0.4186753     7.346956       0.6717494     5.421204       0.5353810     322.9561 15.06350 277.4559 14.01976 45.50018       20.57821 
1 1 1 9  1  16  o 364.7562 10.31937 9.272469       0.5197493     9.217146       0.6687748     9.356845       0.8259228     362.5218 13.36004 363.8035 16.44124 -1.281769      21.18502 
1 1 1 9  1  17  o 499.8078 9.718696 17.39041       0.6707320     17.66044       0.9518827     17.12411       0.9452685     501.6105 13.74291 493.8650 13.86146 7.745483       19.51942 
1 1 1 9  1  18  o 512.3098 9.052502 18.25039       0.6403821     18.37498       0.8503370     18.08716       0.9733507     512.6708 12.01198 507.5768 13.88768 5.093994       18.36179 
1 1 1 9  1  19  o 405.8809 8.306195 11.44184       0.4655204     12.24387       0.6638988     10.66610       0.6529288     418.7325 11.48226 390.5764 12.10659 28.15604       16.68567 
1 1 1 9  1  20  o 337.6071 8.104903 7.913714       0.3778308     8.090379       0.5352592     7.738265       0.5334125     340.4237 11.38692 332.8621 11.60542 7.561646       16.25878 
1 1 1 9  1  21  o 361.7878 8.227259 9.089097       0.4110050     9.865292       0.5867959     8.341574       0.5758562     375.9612 11.30332 345.4477 12.07240 30.51346       16.53808 
1 1 1 9  1  22  o 380.3589 8.725564 10.05298       0.4582739     9.794616       0.6044178     10.40235       0.7028592     374.4848 11.68867 385.3156 13.21033 -10.83078      17.63910 
1 1 1 9  1  23  o 234.8636 9.214208 3.835645       0.2988213     4.141207       0.4248289     3.536421       0.4204002     242.9434 12.70816 224.1731 13.64626 18.77036       18.64719 
1 1 1 9  1  24  o 305.0989 8.600368 6.466544       0.3623228     6.243199       0.5514339     6.636221       0.4806349     298.4813 13.37945 308.3905 11.28694 -9.909241      17.50442 
1 1 1 9  1  25  o 280.2568 8.565827 5.455760       0.3314847     5.255633       0.5051680     5.607092       0.4392863     273.8853 13.35762 283.5037 11.22150 -9.618469      17.44558 
1 1 1 9  1  26  o 225.4259 9.202908 3.532744       0.2864619     3.268401       0.4036666     3.800925       0.4065860     215.5346 13.63363 232.7718 12.69778 -17.23723      18.63088 
1 1 1 9  1  27  o 108.8538 8.681084 0.8281853      0.1293983     0.7889959      0.1710221     0.8806606      0.1978998     105.6479 11.93251 111.4360 13.11202 -5.788094      17.72879 
1 1 1 9  1  28  o 216.2668 7.949462 3.245384       0.2373918     3.191601       0.3356427     3.299218       0.3358027     213.6045 11.42102 217.2307 11.23345 -3.626205      16.01968 
1 1 1 9  1  29  o 239.2460 7.974387 3.971576       0.2634389     4.020453       0.3729739     3.922916       0.3721453     240.1233 11.24880 237.1687 11.36363 2.954575       15.98961 
1 1 1 9  1  30  o 276.9867 8.016548 5.323437       0.3066085     5.373217       0.4340262     5.273849       0.4331949     277.5923 11.32324 274.9930 11.40837 2.599274       16.07379 
1 1 1 9  1  31  o 302.1803 8.071263 6.335978       0.3367795     6.351467       0.4760470     6.320458       0.4765096     301.7947 11.42353 301.0468 11.46304 0.7479858      16.18327 
1 1 1 9  1  32  o 311.1692 8.071245 6.718375       0.3467969     6.484360       0.4884719     6.956211       0.4924419     304.8952 11.60248 315.8793 11.29005 -10.98413      16.18897 
1 1 1 9  1  33  o 242.9356 9.271258 4.101378       0.3110054     3.823966       0.4373628     4.385135       0.4423353     233.3126 13.63514 250.1328 12.85026 -16.82021      18.73623 
1 1 1 9  1  34  o 121.0910 11.64466 1.031917       0.1923040     1.052759       0.3829022     1.024887       0.2223848     118.9403 24.13903 120.2533 13.63370 -1.312958      27.72310 
1 1 1 9  1  35  o 151.0377 10.22236 1.594581       0.2119386     1.513305       0.4718048     1.615127       0.2372198     142.9694 24.79808 151.7867 11.40155 -8.817291      27.29359 
1 1 1 9  1  36  o 108.0174 9.577085 0.8173999      0.1413637     0.8002638      0.2003293     0.8343962      0.1995101     105.9920 14.03283 108.3554 13.63653 -2.363380      19.56719 
1 1 1 9  1  37  o 204.8246 8.571560 2.912701       0.2424264     2.876084       0.3701882     2.940197       0.3207808     202.3168 13.32572 205.0496 11.37412 -2.732834      17.51986 
1 1 1 9  1  38  o 298.4147 8.645623 6.183289       0.3562497     6.216593       0.5440775     6.158294       0.4713410     298.0883 13.21837 297.1665 11.48675 0.9217529      17.51202 
1 1 1 9  1  39  o 305.9206 8.656117 6.498731       0.3656536     6.535707       0.5585763     6.471003       0.4836938     305.6167 13.23633 304.5984 11.50019 1.018341       17.53439 
1 1 1 9  1  40  o 192.4991 8.582280 2.573055       0.2281231     2.595980       0.3483863     2.555848       0.3018289     192.1714 13.20930 191.0887 11.49244 1.082764       17.50890 
1 1 1 9  1  41  o 123.7587 8.799224 1.069179       0.1493891     1.098340       0.2280769     1.047268       0.1977003     124.5430 13.47743 121.9224 11.89469 2.620583       17.97568 
1 1 1 9  1  42  o 137.3253 8.726710 1.315167       0.1646186     1.235709       0.2179881     1.420617       0.2511242     132.4846 12.04764 141.9219 12.95739 -9.437286      17.69292 
1 1 1 9  1  43  o 168.8452 8.646312 1.985507       0.2009084     1.921226       0.2657572     2.071246       0.3069229     165.4818 11.70600 171.5268 13.05669 -6.045059      17.53589 
1 1 1 9  1  44  o 173.6224 8.621209 2.094418       0.2066864     2.103264       0.2736648     2.082672       0.3153438     173.1949 11.50866 171.8764 13.39282 1.318542       17.65834 
1 1 1 9  1  45  o 348.9167 10.37960 8.485204       0.5000813     8.739514       0.7940984     8.318066       0.6437709     351.6599 16.35360 344.3270 13.54011 7.332916       21.23146 
1 1 1 9  1  46  o 287.0247 11.52898 5.756131       0.4569283     5.816201       0.6464432     5.696152       0.6459455     286.3434 16.41808 283.2865 16.58556 3.056854       23.33739 
1 1 1 9  1  47  o 280.7389 9.392021 5.486164       0.3640824     5.445065       0.4453428     5.568992       0.6322169     279.1014 11.55565 280.0685 16.41974 -0.9671631     20.07837 
1 1 1 9  1  48  o 276.4030 9.399101 5.319397       0.3587295     5.329905       0.4391844     5.298333       0.6218131     276.0933 11.52001 272.9826 16.57476 3.110748       20.18498 
1 1 1 9  1  49  o 206.6309 9.386485 2.973665       0.2678159     3.041701       0.3281891     2.838050       0.4633543     208.2359 11.45789 199.2370 17.00529 8.998917       20.50520 
1 1 1 9  1  50  o 174.2824 9.482996 2.122611       0.2273525     2.226044       0.2787091     1.916899       0.3930532     178.0228 11.39788 163.1373 17.73425 14.88550       21.08116 
1 1 1 9  1  51  o 111.7946 9.191636 0.8764006      0.1406332     0.9504700      0.1855466     0.7764049      0.2155879     115.9076 11.75584 103.6576 15.54111 12.25003       19.48656 
1 1 1 9  1  52  o 232.3552 8.729876 3.759116       0.2800906     3.609435       0.3690661     3.962418       0.4301229     226.5898 11.83684 236.9304 13.19964 -10.34061      17.72967 
1 1 1 9  1  53  o 285.4749 9.499735 5.684941       0.3744702     5.827399       0.4594587     5.403084       0.6462779     288.3261 11.54050 274.6767 17.12487 13.64941       20.65053 
1 1 1 9  1  54  o 186.5014 10.46379 2.439714       0.2683808     2.371134       0.4218902     2.486332       0.3478354     181.5338 17.02983 187.3029 13.54025 -5.769135      21.75669 
1 1 1 9  1  55  o 174.0135 10.54224 2.126002       0.2521158     2.197139       0.5650740     2.108322       0.2817091     170.8880 24.66096 172.9016 11.87142 -2.013611      27.36958 
1 1 1 9  1  56  o 283.7684 10.44668 5.633757       0.4093364     5.616939       0.6487415     5.644882       0.5276264     279.9467 16.86124 282.7972 13.51181 -2.850555      21.60718 
1 1 1 9  1  57  o 198.9457 8.823847 2.758996       0.2423988     2.711305       0.3697187     2.794951       0.3210233     195.4256 13.78947 199.1836 11.72369 -3.758041      18.09957 
1 1 1 9  1  58  o 207.3393 8.827553 2.997063       0.2527319     2.776763       0.3841755     3.165145       0.3355689     197.6024 14.17406 212.0634 11.50285 -14.46104      18.25431 
1 1 1 9  1  59  o 195.8067 8.856673 2.673406       0.2394617     2.650285       0.3651074     2.690860       0.3172195     193.1575 13.77937 195.3587 11.81509 -2.201157      18.15124 
1 1 1 9  1  60  o 194.6884 8.903257 2.643541       0.2393464     2.485986       0.3638003     2.763783       0.3178149     186.8520 14.20668 198.0252 11.67458 -11.17319      18.38819 
1 1 1 9  1  61  o 117.0622 9.446918 0.9630773      0.1514014     0.8286275      0.2300211     1.065851       0.2011077     106.6962 16.11497 122.5434 12.04052 -15.84720      20.11632 
1 1 1 9  1  62  o 118.5300 9.447016 0.9874152      0.1533343     0.9572061      0.2335220     1.010311       0.2033004     115.1521 15.04625 119.1182 12.54889 -3.966125      19.59246 
1 1 1 9  1  63  o 215.2752 8.361582 3.229581       0.2485538     2.937310       0.3500611     3.526734       0.3529732     203.7803 12.50106 223.7729 11.46189 -19.99260      16.96029 
1 1 1 9  1  64  o 278.6920 8.919404 5.420234       0.3432404     5.153087       0.4528495     5.780928       0.5261962     270.5164 12.12334 285.9406 13.32705 -15.42419      18.01626 
1 1 1 9  1  65  o 235.7735 10.55437 3.896582       0.3436097     3.771681       0.5407578     3.981162       0.4449954     228.5336 17.26357 236.7524 13.67020 -8.218765      22.02057 
1 1 1 9  1  66  o 194.8990 10.73874 2.672147       0.2878869     2.729419       0.4518462     2.633012       0.3735141     194.3182 17.01123 192.1491 14.17781 2.169113       22.14481 
1 1 1 9  1  67  o 170.1326 9.205573 2.027791       0.2154555     1.847581       0.2836332     2.273641       0.3312871     161.2592 12.84431 178.7258 13.52404 -17.46657      18.65143 
1 1 1 9  1  68  o 151.8076 8.725832 1.613367       0.1821410     1.493373       0.2571594     1.734161       0.2580153     144.8098 12.99921 156.4559 12.03539 -11.64603      17.71525 
1 1 1 9  1  69  o 142.0560 8.829484 1.414101       0.1723368     1.277437       0.2433796     1.551535       0.2440640     133.7044 13.36150 147.9106 12.05481 -14.20622      17.99578 
1 1 1 9  1  70  o 90.47543 9.955604 0.5800049      0.1223181     0.4265740      0.1725504     0.7349874      0.1734207     75.63168 16.94295 101.2519 12.68216 -25.62017      21.16366 
1 1 1 9  1  71  o 50.38125 12.76212 0.1864124      0.8888324E-01 0.1890452      0.1255137     0.1837640      0.1258869     51.34290 15.98941 50.78572 16.04325 0.5571785      22.65055 
1 1 1 9  1  72  o 58.62669 12.35610 0.2517070      0.9687246E-01 0.2278161      0.1371813     0.2754708      0.1368162     55.75514 16.59019 60.84035 16.05284 -5.085209      23.08524 
1 1 1 9  1  73  o 48.15482 13.05852 0.1701027      0.8902010E-01 0.6604552E-01  0.1278625     0.2679880      0.1240126     39.61298 15.70474 60.04462 15.00067 -20.43164      21.71771 
1 1 1 9  1  74  o 98.94891 11.67412 0.7010384      0.1564334     0.6952494      0.2217179     0.7067769      0.2207457     96.59961 17.25532 97.50671 17.01419 -0.9070969     24.23281 
1 1 1 9  1  75  o 121.9676 12.19122 1.065379       0.2025689     0.6988326      0.3235822     1.301607       0.2597680     93.64691 24.67710 134.0943 14.24760 -40.44736      28.49479 
1 1 1 9  1  76  f 114.5150 10.49329 0.9332021      0.1640799     0.8549495      0.2187819     1.033794       0.2480530     107.8680 15.10267 118.5924 15.52023 -10.72433      21.65567 
1 1 1 9  1  77  o 73.26527 12.06633 0.3918382      0.1178202     0.4746616      0.1673620     0.3104619      0.1658934     79.47797 15.80648 63.76132 18.03516 15.71665       23.98149 
1 1 1 9  1  78  o 127.5387 9.625922 1.154879       0.1682716     0.9638500      0.2383713     1.344633       0.2375745     113.9267 15.55954 136.2999 12.77205 -22.37318      20.13019 
1 1 1 9  1  79  o 185.2521 8.971381 2.421588       0.2294883     2.202907       0.3244809     2.640444       0.3246100     173.8079 13.62940 191.2554 12.35774 -17.44759      18.39767 
1 1 1 9  1  80  o 85.47274 11.59998 0.5330873      0.1333692     0.5024170      0.1905752     0.5625259      0.1867092     80.30255 17.66676 85.72752 16.36980 -5.424965      24.08495 
1 1 1 9  1  81  o 94.32272 11.12058 0.6468526      0.1420536     0.4723678      0.2018989     0.8179069      0.1999043     76.83650 19.10933 104.6662 14.19825 -27.82968      23.80666 
1 1 1 9  1  82  o 113.3287 10.34419 0.9272735      0.1600890     0.8907135      0.2278171     0.9629378      0.2250090     108.0879 15.72516 113.0520 14.76676 -4.964127      21.57170 
1 1 1 9  1  83  o 110.1989 10.46448 0.8802801      0.1573226     0.8304856      0.2239954     0.9287563      0.2210102     103.7547 16.16110 110.6921 14.83269 -6.937325      21.93604 
1 1 1 9  1  84  o 115.7217 11.03605 0.9772128      0.1742091     0.8686743      0.2329946     1.114821       0.2623470     105.6788 16.50663 120.1315 16.23099 -14.45274      23.14982 
1 1 1 9  1  85  o 111.5327 13.27398 0.9320365      0.2004134     0.9104093      0.3169215     0.9464484      0.2587107     102.7478 22.92055 109.2104 17.76661 -6.462563      29.00007 
1 1 1 9  1  86  o 132.3895 12.75677 1.304666       0.2303159     1.145230       0.3601200     1.415016       0.2995991     114.6768 23.53117 134.8411 16.43063 -20.16433      28.69985 
1 1 1 9  1  87  o 77.77670 13.98677 0.4642512      0.1446894     0.4795730      0.1924045     0.4443089      0.2195069     76.45506 18.43895 72.14505 20.85593 4.310013       27.83819 
1 1 1 9  1  88  o 45.96516 15.11568 0.1592477      0.1110447     0.3715645      0.1601481     -0.3735562E-01 0.1541079     67.77227 17.11055 34.54229 15.51363 33.22998       23.09640 
1 1 1 9  1  89  f 65.20060 13.97814 0.3294373      0.1220664     0.2469425      0.1748236     0.4079140      0.1705129     55.71015 18.97701 70.80521 17.53273 -15.09506      25.83648 
1 1 1 9  1  90  o 103.2791 11.01091 0.7841933      0.1546057     0.6680588      0.2194463     0.8986480      0.2178533     90.73193 18.14969 107.9754 15.01839 -17.24343      23.55766 
1 1 1 9  1  91  o 142.9926 9.905337 1.480235       0.1943736     1.427776       0.2759014     1.531930       0.2738812     136.5850 14.86916 142.1671 14.13921 -5.582092      20.51851 
1 1 1 9  1  92  o 171.4821 9.652357 2.122187       0.2276252     1.802220       0.3218261     2.442490       0.3219954     152.9338 15.45174 180.9156 12.97567 -27.98181      20.17732 
1 1 1 9  1  93  o 154.0972 10.71534 1.734374       0.2265838     1.713659       0.2995091     1.762096       0.3464724     149.6784 14.68044 149.2764 17.11835 0.4019775      22.55112 
1 1 1 9  1  94  o 128.0912 13.93392 1.250724       0.2424755     0.9825467      0.3932949     1.415161       0.3079693     99.76839 27.61175 133.2731 17.13170 -33.50471      32.49468 
1 1 1 9  1  95  o 89.75092 14.48159 0.6276514      0.1733614     0.4629394      0.2543741     0.7705084      0.2368979     71.13169 22.84121 96.41460 18.46669 -25.28291      29.37243 
1 1 1 9  1  96  o 57.30622 14.68562 0.2638855      0.1167383     0.1078378      0.1662366     0.4157115      0.1639726     43.55293 17.68588 70.74499 16.99759 -27.19206      24.52975 
1 1 1 9  1  97  o 37.28908 14.23483 0.8948469E-01  0.1019643     0.5373275E-01  0.1474188     0.1222755      0.1411820     38.15699 16.16482 42.67387 16.62744 -4.516884      23.18993 
1 1 1 9  1  98  o 84.85646 12.37673 0.5608478      0.1407520     0.5136082      0.2016907     0.6056948      0.1965169     75.11800 19.33177 83.69839 17.56379 -8.580391      26.11904 
1 1 1 9  1  99  o 56.29669 15.26007 0.2713785      0.1215961     0.1274143      0.1751155     0.4054227      0.1689747     43.43999 17.95192 66.72430 17.94822 -23.28431      25.38523 
1 1 1 9  1  100 o 100.7523 11.78869 0.8025148      0.1609050     0.8470760      0.2308524     0.7604125      0.2243930     96.02007 18.07467 90.09818 18.65099 5.921890       25.97216 
1 1 1 9  1  101 o 100.4240 11.98771 0.8179270      0.1629454     0.6367826      0.2327862     0.9919472      0.2281627     75.93368 21.32419 104.5567 16.33813 -28.62299      26.86365 
1 1 1 9  1  102 f 82.48315 13.52988 0.5948411      0.1487535     0.6925308      0.2138753     0.5033047      0.2070301     79.98378 19.53373 64.88210 20.58231 15.10168       28.37601 
1 1 1 9  1  103 o 86.88176 13.16701 0.6808496      0.1530121     0.5330459      0.2188906     0.8220916      0.2139768     61.15054 21.21841 86.20775 18.52719 -25.05721      28.16873 
1 1 1 9  1  104 o 37.72902 15.48873 0.1629578      0.1292506     0.1678733      0.1906358     0.1587759      0.1758357     37.23564 16.93536 36.88777 16.56884 0.3478699      23.69246 
1 1 1 9  1  105 o 25.75328 12.33881 -0.1844081E-01 0.1255291     -0.1337172     0.1884541     0.7349800E-01  0.1683003     26.04638 12.98909 30.62573 14.56623 -4.579346      19.51645 
1 1 1 9  1  106 o 27.63822 12.74362 0.7907981E-01  0.1129762     0.9453712E-01  0.1660912     0.6576969E-01  0.1541241     28.54404 13.80547 27.57770 13.32861 0.9663429      19.18965 
1 1 1 9  1  107 o 20.88108 10.08399 -0.5022772E-02 0.8777636E-01 -0.1339859     0.1289447     0.1063441      0.1198254     19.75394 9.970936 26.14356 12.39246 -6.389620      15.90574 
1 1 1 9  1  108 o 23.04734 11.03808 0.9998805E-01  0.1002419     0.2463175      0.1472979     -0.2624448E-01 0.1368095     25.78718 12.59148 19.91069 10.07595 5.876492       16.12669 
1 1 1 9  1  109 o 17.20501 8.642614 0.5724252E-02  0.9077951E-01 0.1055156      0.1333432     -0.8048299E-01 0.1239356     19.14982 9.718395 16.49583 8.454272 2.653996       12.88107 
1 1 1 9  1  110 o 14.60587 7.456809 -0.1731519E-01 0.8798303E-01 -0.1308789E-01 0.1304064     -0.2084721E-01 0.1192008     15.11816 7.791704 14.96243 7.698576 0.1557302      10.95348 
1 1 1 9  1  111 f 13.13564 6.765049 0.5149276E-02  0.9549478E-01 -0.1165329     0.1317162     0.1399807      0.1386505     12.59024 6.535031 14.01277 7.257519 -1.422531      9.766177 
1 1 1 9  1  112 o 10.93590 5.674665 -0.1079759     0.9673285E-01 -0.2311640     0.1636987     -0.4188072E-01 0.1199073     11.18372 5.822469 11.50434 5.976535 -0.3206215     8.343867 
1 1 1 9  1  113 o 10.43210 5.429795 0.4245527E-01  0.1321171     -0.3310211E-01 0.1948945     0.1066987      0.1797114     10.29868 5.362969 10.49904 5.467871 -0.2003536     7.658920 
1 1 1 9  1  114 o 8.532721 4.443247 -0.1308696     0.1079992     -0.6805848E-01 0.1655650     -0.1773911     0.1424875     8.799430 4.581188 8.613932 4.485342 0.1854982      6.411363 
1 1 1 9  1  115 o 7.573202 3.939349 0.1763941      0.1520077     0.2451108      0.2235834     0.1173315      0.2072834     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  116 o 6.173485 3.207634 -0.3132036E-01 0.1208226     -0.6952713E-01 0.1800149     0.8867148E-06  0.1629889     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  117 o ?        ?        -0.9650639E-01 0.1124436     -0.1487416     0.1702698     -0.5610817E-01 0.1497397     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  118 o ?        ?        0.2175092      0.1594836     0.4658819      0.2341065     0.2419378E-02  0.2178569     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  119 o ?        ?        0.2122711      0.1599702     0.4335448      0.2351682     0.2170223E-01  0.2182427     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  120 o ?        ?        0.3356610E-01  0.1346041     0.1193223      0.1980360     -0.4007146E-01 0.1835106     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  1  121 o ?        ?        0.2066158      0.2189686     0.1788478      0.3148458     0.2326295      0.3047384     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  0   o 42.45311 22.22773 0.1850164      0.1714295     0.000000       0.000000      0.1850164      0.1714295     42.45311 22.22773 42.45311 22.22773 0.000000       0.000000 
1 1 1 9  2  1   o 202.8560 11.38123 2.882906       0.3175101     2.960418       0.3670152     2.652313       0.6330270     205.1174 13.02571 189.5013 24.78601 15.61607       28.00028 
1 1 1 9  2  2   o 154.1849 11.26091 1.668557       0.2380889     1.755394       0.2749758     1.408457       0.4758951     157.8176 12.72650 136.7525 26.15531 21.06517       29.08718 
1 1 1 9  2  3   o 183.6275 11.25181 2.363012       0.2839218     2.438485       0.3284114     2.139684       0.5649286     186.1321 12.85669 169.9280 24.80747 16.20410       27.94110 
1 1 1 9  2  4   o 106.5821 11.41346 0.8021863      0.1653613     0.8807024      0.1909056     0.5662704      0.3309161     111.4656 12.62607 87.07796 25.73302 24.38766       28.66367 
1 1 1 9  2  5   o 159.0979 11.27115 1.776052       0.2460087     1.818685       0.2841584     1.648483       0.4915402     160.6065 12.92262 148.7975 24.79618 11.80896       27.96149 
1 1 1 9  2  6   o 116.8240 11.37901 0.9618879      0.1812284     1.046434       0.2092602     0.7082061      0.3624797     121.6161 12.64607 96.66383 26.40816 24.95224       29.27992 
1 1 1 9  2  7   o 266.0061 11.30594 4.941155       0.4152753     5.023561       0.4803255     4.697224       0.8263997     267.7303 12.99272 253.4949 23.89111 14.23546       27.19551 
1 1 1 9  2  8   o 240.3460 10.12690 4.024712       0.3360869     4.280138       0.4346563     3.644947       0.5299950     246.8739 12.79456 226.2480 17.09090 20.62587       21.34946 
1 1 1 9  2  9   o 139.2788 10.12433 1.358420       0.1933786     1.277114       0.2488093     1.482464       0.3073238     134.2528 13.60973 144.1719 15.69088 -9.919144      20.77085 
1 1 1 9  2  10  o 70.29996 9.668464 0.3503094      0.9136947E-01 0.3708482      0.1113786     0.3080433      0.1597756     71.98692 11.59908 64.82346 17.45953 7.163460       20.96125 
1 1 1 9  2  11  o 161.5907 10.13788 1.826023       0.2250587     1.758883       0.2903284     1.927118       0.3562566     157.8143 13.45150 164.5437 15.87704 -6.729416      20.80921 
1 1 1 9  2  12  o 285.6693 11.46268 5.699097       0.4521554     4.746465       0.6305380     6.707517       0.6487388     258.0774 17.80276 308.5750 15.22549 -50.49759      23.42550 
1 1 1 9  2  13  o 346.9077 11.61717 8.406453       0.5564836     8.064342       0.6394288     9.474475       1.129794      339.0228 13.65920 361.7719 22.73213 -22.74902      26.52025 
1 1 1 9  2  14  f 387.4692 11.65186 10.48727       0.6234052     10.27778       0.7173864     11.13338       1.259860      382.7863 13.57247 391.7832 23.39518 -8.996887      27.04711 
1 1 1 9  2  15  o 218.1229 11.58965 3.331860       0.3478150     1.993899       0.4802903     4.807294       0.5043616     165.4518 21.53326 261.3091 14.02946 -95.85733      25.70033 
1 1 1 9  2  16  o 348.5808 10.29396 8.465303       0.4954777     8.422860       0.7822403     8.493741       0.6403030     345.3207 16.40513 348.1105 13.32080 -2.789764      21.13225 
1 1 1 9  2  17  f 308.3458 10.19639 6.622401       0.4341329     6.486784       0.6844929     6.713666       0.5615219     302.6382 16.44145 309.5675 13.13631 -6.929382      21.04481 
1 1 1 9  2  18  o 113.0050 10.26812 0.8966630      0.1584748     0.6142264      0.2493849     1.087965       0.2052433     91.04896 20.34813 124.1914 12.12309 -33.14247      23.68577 
1 1 1 9  2  19  o 134.5897 9.325167 1.265698       0.1722349     1.183091       0.2439145     1.347849       0.2432407     129.1489 13.89627 138.1813 12.89729 -9.032349      18.95907 
1 1 1 9  2  20  o 137.8855 9.305875 1.328047       0.1761429     1.263734       0.2498396     1.391608       0.2483743     133.5678 13.74241 140.4163 12.95618 -6.848526      18.88694 
1 1 1 9  2  21  o 218.9668 9.251919 3.333871       0.2797359     3.326238       0.3977251     3.341343       0.3935210     217.5070 13.30655 218.0537 13.13097 -0.5466461     18.69456 
1 1 1 9  2  22  o 215.8447 10.17660 3.243963       0.3033067     2.881970       0.4836457     3.478616       0.3893949     201.0553 17.59824 222.6393 12.71909 -21.58398      21.71343 
1 1 1 9  2  23  o 175.8904 10.21077 2.161125       0.2469253     1.809728       0.3935668     2.389242       0.3171017     158.7985 18.28251 184.4447 12.52495 -25.64622      22.16133 
1 1 1 9  2  24  o 254.1461 9.283335 4.490274       0.3257808     4.246574       0.4607142     4.733993       0.4607331     245.8190 13.62639 260.1401 12.82638 -14.32103      18.71349 
1 1 1 9  2  25  o 366.7348 9.465619 9.351719       0.4793350     9.240658       0.6784474     9.462412       0.6773183     363.2157 13.52738 367.6193 13.34309 -4.403564      19.00074 
1 1 1 9  2  26  o 379.5296 9.486024 10.01517       0.4971276     9.574857       0.6996173     10.46421       0.7065226     369.6848 13.70537 386.6631 13.23291 -16.97830      19.05117 
1 1 1 9  2  27  o 248.0962 9.274072 4.278056       0.3177083     4.119776       0.4491481     4.436561       0.4494669     242.2090 13.48297 251.5268 12.98553 -9.317764      18.71936 
1 1 1 9  2  28  o 221.8129 9.298225 3.419537       0.2847900     3.121590       0.4022740     3.718911       0.4032355     210.6299 13.90964 230.3155 12.72877 -19.68553      18.85470 
1 1 1 9  2  29  o 281.5247 8.642179 5.503273       0.3359525     5.944477       0.5172575     5.181367       0.4418265     291.5897 12.84685 272.5115 11.74164 19.07822       17.40425 
1 1 1 9  2  30  o 398.5840 9.549822 11.04492       0.5255973     11.01053       0.7431296     11.07934       0.7434842     396.5670 13.57094 397.8191 13.53469 -1.252075      19.16659 
1 1 1 9  2  31  o 299.2538 10.26663 6.232550       0.4242343     5.796833       0.6667745     6.528899       0.5498936     286.1737 16.94925 305.5413 13.03379 -19.36758      21.38123 
1 1 1 9  2  32  o 160.9882 9.387133 1.807319       0.2077672     2.197603       0.3641993     1.619024       0.2529694     176.2768 15.10857 151.8122 12.16998 24.46461       19.40044 
1 1 1 9  2  33  o 182.3031 9.292912 2.315476       0.2331526     2.265328       0.4038367     2.340549       0.2855508     178.5694 16.56667 182.8841 11.36379 -4.314713      20.08956 
1 1 1 9  2  34  o 181.5601 10.24424 2.301069       0.2557766     2.462423       0.4061979     2.195057       0.3292481     186.4309 15.93208 176.5716 13.60899 9.859344       20.95318 
1 1 1 9  2  35  o 102.0700 9.655156 0.7307198      0.1344639     0.7607859      0.1918835     0.7017097      0.1884835     103.3553 13.78913 99.10363 14.17756 4.251686       19.77735 
1 1 1 9  2  36  o 255.0281 8.629443 4.515904       0.3038847     4.697645       0.4658309     4.381265       0.4009465     258.8465 13.07545 250.6301 11.58551 8.216354       17.46973 
1 1 1 9  2  37  o 287.7586 8.691489 5.750270       0.3453509     6.036912       0.5302743     5.539139       0.4550991     293.7715 13.07233 281.7651 11.69717 12.00638       17.54165 
1 1 1 9  2  38  o 273.5481 8.083435 5.192528       0.3053287     5.223288       0.4323000     5.161909       0.4313018     273.6635 11.44011 272.0408 11.48178 1.622681       16.20825 
1 1 1 9  2  39  o 270.7058 8.152958 5.086021       0.3047550     5.639513       0.4339054     4.547167       0.4281299     284.4348 11.04776 255.1512 12.15178 29.28362       16.42312 
1 1 1 9  2  40  o 387.3911 8.836951 10.42629       0.4727049     10.39187       0.6249694     10.47231       0.7226247     385.8335 11.73061 386.6223 13.53593 -0.7887573     17.91169 
1 1 1 9  2  41  o 216.2361 9.309419 3.251270       0.2779641     3.315008       0.3407726     3.124548       0.4804975     217.6779 11.37688 209.7101 16.73265 7.967880       20.23400 
1 1 1 9  2  42  o 132.7985 10.44547 1.236224       0.1899939     1.329605       0.2453432     1.096330       0.3002926     137.1776 13.11220 123.0774 18.22018 14.10014       22.44783 
1 1 1 9  2  43  o 172.4275 9.444660 2.074816       0.2240145     2.073327       0.3159545     2.076320       0.3176609     171.4311 13.45549 171.5378 13.52076 -0.1066284     19.07515 
1 1 1 9  2  44  o 190.5005 9.412451 2.525462       0.2475922     2.874095       0.3513297     2.181479       0.3489785     202.2062 12.64650 175.5328 14.52861 26.67340       19.26174 
1 1 1 9  2  45  o 321.3910 9.511984 7.191028       0.4221267     7.533237       0.5983346     6.851905       0.5956293     327.6850 13.22360 312.2893 13.81277 15.39569       19.12214 
1 1 1 9  2  46  o 340.8990 8.840610 8.083018       0.4161462     8.453942       0.5516284     7.593105       0.6339636     347.7514 11.48787 328.5970 13.97213 19.15439       18.08844 
1 1 1 9  2  47  o 342.5283 9.536355 8.172516       0.4510418     8.276160       0.5531427     7.966861       0.7791707     343.9472 11.64682 334.6407 16.91716 9.306458       20.53872 
1 1 1 9  2  48  o 297.3289 9.467233 6.159195       0.3886853     6.148713       0.4758939     6.180199       0.6736377     296.3957 11.62787 294.6467 16.62510 1.749023       20.28796 
1 1 1 9  2  49  o 225.3881 9.461222 3.540455       0.2944531     3.602321       0.3607836     3.417038       0.5095742     226.5407 11.57215 218.5490 17.01998 7.991699       20.58141 
1 1 1 9  2  50  o 246.6628 8.725368 4.235704       0.2971839     4.319406       0.3938585     4.125051       0.4528527     248.3358 11.48584 241.6239 13.62873 6.711853       17.82322 
1 1 1 9  2  51  f 193.4574 8.746364 2.606351       0.2336420     2.586554       0.3095424     2.632563       0.3561847     191.7165 11.74959 192.8566 13.45967 -1.140060      17.86661 
1 1 1 9  2  52  o 205.7722 9.458684 2.953849       0.2687543     2.833895       0.3285973     3.196220       0.4670870     200.6089 11.91599 211.4231 16.12104 -10.81422      20.04692 
1 1 1 9  2  53  o 172.2200 10.51796 2.082086       0.2489237     2.190447       0.3949388     2.010667       0.3206273     174.5801 16.58220 168.1871 13.93149 6.392990       21.65770 
1 1 1 9  2  54  o 224.5242 10.42827 3.526276       0.3233057     2.954637       0.5074844     3.916773       0.4194408     202.0431 18.39169 235.4687 12.95006 -33.42554      22.49351 
1 1 1 9  2  55  o 215.7124 8.802560 3.243300       0.2621936     3.387099       0.3477919     3.053972       0.3990700     219.4176 11.51944 207.3823 14.01836 12.03532       18.14420 
1 1 1 9  2  56  o 139.6861 8.491855 1.364116       0.1630153     1.369621       0.2300055     1.358560       0.2310750     139.0876 12.09646 138.4894 12.20856 0.5982056      17.18643 
1 1 1 9  2  57  o 154.6691 8.459587 1.671338       0.1799872     1.547470       0.2535560     1.797147       0.2555362     147.7562 12.54632 159.5701 11.67859 -11.81393      17.14058 
1 1 1 9  2  58  f 273.2937 8.849058 5.208108       0.3339371     5.290943       0.5097229     5.145822       0.4420010     273.6749 13.48843 270.6045 11.82906 3.070343       17.94058 
1 1 1 9  2  59  o 259.2600 8.882173 4.687859       0.3179749     4.471722       0.4830209     4.853162       0.4224167     250.9877 13.99287 262.8443 11.63870 -11.85658      18.20055 
1 1 1 9  2  60  o 138.6969 9.239324 1.348695       0.1759352     1.443903       0.2682414     1.276817       0.2330693     142.2263 13.83372 134.0076 12.74921 8.218658       18.81261 
1 1 1 9  2  61  o 174.7427 9.034619 2.136499       0.2172497     2.233937       0.3320325     2.063558       0.2872788     177.2055 13.67532 170.7739 12.26439 6.431595       18.36926 
1 1 1 9  2  62  o 96.26556 10.68673 0.6572108      0.1396568     0.6765376      0.1977284     0.6379713      0.1972814     96.39041 15.37223 93.39159 15.86582 2.998817       22.09140 
1 1 1 9  2  63  f 134.4716 10.12380 1.272685       0.1866011     1.300617       0.2644947     1.245005       0.2632971     134.6479 14.45192 131.6087 14.74171 3.039200       20.64403 
1 1 1 9  2  64  f 60.84062 12.82105 0.2706925      0.1043124     0.4560288      0.1787888     0.1750453      0.1284388     78.32670 17.01733 50.06036 16.24655 28.26634       23.52743 
1 1 1 9  2  65  o 185.2735 9.834090 2.408213       0.2506846     2.526626       0.4320938     2.348135       0.3077769     186.9474 16.92208 182.1234 12.31091 4.823944       20.92643 
1 1 1 9  2  66  o 202.2573 9.835440 2.862639       0.2746856     3.197721       0.3889086     2.529085       0.3880213     212.1928 13.34121 187.8736 15.08444 24.31923       20.13773 
1 1 1 9  2  67  o 205.3682 8.498640 2.941732       0.2410020     3.088304       0.3423041     2.797659       0.3393714     209.0865 11.90553 198.7706 12.42713 10.31592       17.20974 
1 1 1 9  2  68  o 114.3328 9.290925 0.9195329      0.1454102     0.9035990      0.2064717     0.9352130      0.2048204     112.1587 13.61065 114.2488 13.22794 -2.090073      18.97968 
1 1 1 9  2  69  o 66.48138 11.57661 0.3196717      0.1024108     0.3298871      0.1464581     0.3098979      0.1432565     66.57881 16.10614 64.53495 16.12267 2.043861       22.78921 
1 1 1 9  2  70  o 116.7501 9.296856 0.9593023      0.1486337     0.9846153      0.2111779     0.9344528      0.2092352     117.1585 13.28886 114.0132 13.55621 3.145332       18.98327 
1 1 1 9  2  71  o 100.4193 9.812252 0.7132824      0.1343194     0.7867377      0.1916638     0.6423876      0.1882936     104.4178 13.61728 93.73389 15.05770 10.68388       20.30184 
1 1 1 9  2  72  o 109.0909 10.41187 0.8436882      0.1549352     0.7576104      0.2058822     0.9560931      0.2352695     101.8590 15.09489 114.5875 15.24783 -12.72855      21.45581 
1 1 1 9  2  73  o 113.8993 12.43427 0.9302074      0.1923827     0.6218293      0.3106051     1.122144       0.2450450     88.72211 24.53147 124.4239 14.53682 -35.70177      28.51512 
1 1 1 9  2  74  o 99.23250 12.09294 0.7081457      0.1622735     0.7299839      0.2895203     0.6981428      0.1959445     96.73808 22.15135 97.49198 15.03922 -0.7539063     26.77425 
1 1 1 9  2  75  o 139.8465 9.931634 1.384546       0.1905359     1.241826       0.2551384     1.564505       0.2864964     130.6354 14.38241 146.8159 14.31422 -16.18053      20.29164 
1 1 1 9  2  76  o 133.3518 9.504132 1.259008       0.1738593     1.055928       0.2459192     1.461940       0.2458292     119.7383 15.21749 142.4430 12.62936 -22.70468      19.77556 
1 1 1 9  2  77  o 110.2084 10.16269 0.8668459      0.1529119     0.8121470      0.2172492     0.9205500      0.2152647     104.4301 15.53937 111.9085 14.25427 -7.478416      21.08688 
1 1 1 9  2  78  o 144.6683 9.475736 1.486431       0.1882427     1.534227       0.2674055     1.439476       0.2650411     144.9414 13.51697 140.1565 13.87736 4.784851       19.37239 
1 1 1 9  2  79  f 83.69849 11.77414 0.5123677      0.1323149     0.4485797      0.1882287     0.5746766      0.1860338     75.53465 18.25062 86.78516 16.11751 -11.25051      24.34871 
1 1 1 9  2  80  o 83.88058 12.08082 0.5178427      0.1358893     0.6730462      0.1938617     0.3679210      0.1905345     94.15701 15.44661 67.79165 19.38174 26.36536       24.78406 
1 1 1 9  2  81  o 82.02773 12.18895 0.4979099      0.1338616     0.6490853      0.1910092     0.3520001      0.1876533     92.10009 15.57483 66.07603 19.33601 26.02406       24.82854 
1 1 1 9  2  82  o 80.25177 12.63157 0.4808531      0.1353482     0.4931576      0.1918923     0.4686712      0.1909339     78.46384 18.08257 76.30482 18.34709 2.159019       25.76034 
1 1 1 9  2  83  o 50.87616 15.54630 0.1995101      0.1192946     0.9204474E-01  0.1577171     0.3431998      0.1823717     43.01738 17.31106 64.86171 19.08519 -21.84433      25.76659 
1 1 1 9  2  84  o 114.7294 13.78356 0.9913312      0.2139900     0.9592287      0.3348894     1.013484       0.2781918     104.8339 23.69211 112.4433 18.56527 -7.609390      30.09959 
1 1 1 9  2  85  o 116.2053 13.92167 1.020867       0.2189386     1.201861       0.3369383     0.8885997      0.2880334     120.0106 21.10296 102.9462 20.97461 17.06441       29.75347 
1 1 1 9  2  86  o 118.2483 11.50506 1.029935       0.1854757     0.9640796      0.2406873     1.126219       0.2910295     111.1453 16.15587 118.3348 18.40936 -7.189461      24.49320 
1 1 1 9  2  87  o 97.23998 11.57757 0.7001491      0.1523976     0.6648996      0.2138340     0.7365348      0.2172523     90.88457 17.67557 96.29390 16.95854 -5.409325      24.49526 
1 1 1 9  2  88  o 89.45119 12.24119 0.5985301      0.1472311     0.4675369      0.2074130     0.7315720      0.2090288     74.49155 19.81813 96.40771 16.28196 -21.91617      25.64879 
1 1 1 9  2  89  o 91.81886 11.95839 0.6280160      0.1480174     0.6485159      0.2097220     0.6076694      0.2089366     89.79603 17.54322 86.47482 18.07974 3.321205       25.19209 
1 1 1 9  2  90  o 115.6221 10.80622 0.9786159      0.1705248     0.9230838      0.2416310     1.033716       0.2406888     108.2186 16.70814 115.5916 15.46748 -7.373070      22.76851 
1 1 1 9  2  91  o 137.7932 10.22224 1.379496       0.1931099     1.370064       0.2746132     1.388723       0.2716089     133.4748 15.16937 134.6640 14.85395 -1.189194      21.23087 
1 1 1 9  2  92  o 157.2539 10.72551 1.805682       0.2315035     1.868755       0.3082146     1.724036       0.3506696     156.6448 14.41110 147.1584 17.60700 9.486374       22.75272 
1 1 1 9  2  93  o 135.2486 13.76111 1.389371       0.2534149     1.679283       0.4193795     1.222633       0.3180463     139.0152 22.62599 121.4286 19.63888 17.58656       29.96032 
1 1 1 9  2  94  o 138.7377 13.43250 1.463174       0.2541074     1.694418       0.4209450     1.330595       0.3187329     138.5424 22.79731 127.0789 18.72542 11.46352       29.50184 
1 1 1 9  2  95  o 80.39476 13.94264 0.5049173      0.1491678     0.4994255      0.2004453     0.5117336      0.2233127     76.21160 19.08855 75.79951 20.73595 0.4120865      28.18426 
1 1 1 9  2  96  o 84.31728 12.78053 0.5500104      0.1441358     0.8442696      0.2072476     0.2743448      0.2005930     102.7916 15.04692 56.21357 20.23933 46.57804       25.21984 
1 1 1 9  2  97  o 49.18085 15.52950 0.2007387      0.1179634     0.2448102      0.1709584     0.1606856      0.1629784     53.02042 18.72728 46.14829 17.89723 6.872135       25.90409 
1 1 1 9  2  98  o 66.37383 14.64580 0.3674400      0.1306311     0.2623928      0.1873429     0.4668461      0.1822432     53.35887 19.50688 71.56326 18.35421 -18.20439      26.78424 
1 1 1 9  2  99  o 62.53742 16.18891 0.3491374      0.1408868     0.2347378      0.1889004     0.4925430      0.2114968     50.05742 19.30859 69.43831 20.58530 -19.38089      28.22368 
1 1 1 9  2  100 o 91.14863 12.74608 0.6839716      0.1560339     0.7029210      0.2236782     0.6660098      0.2177710     83.35298 19.73882 81.13575 19.64714 2.217232       27.85016 
1 1 1 9  2  101 o 101.1777 12.30877 0.8564301      0.1684209     0.7640490      0.2397972     0.9463653      0.2366013     82.00040 21.06617 97.03864 18.32949 -15.03823      27.92407 
1 1 1 9  2  102 o 65.77868 16.67112 0.4485246      0.1516157     0.5503117      0.2020043     0.3172105      0.2294405     66.39604 20.21738 47.43462 20.13479 18.96143       28.53335 
1 1 1 9  2  103 o 64.94949 16.48947 0.4691620      0.1481486     0.5408496      0.1972945     0.3764840      0.2243267     61.12884 20.15042 46.58221 19.84466 14.54662       28.28162 
1 1 1 9  2  104 o 39.82253 16.08654 0.2254155      0.1367571     0.1829969      0.2388904     0.2460935      0.1667918     34.90623 16.80113 39.14361 16.90020 -4.237385      23.83054 
1 1 1 9  2  105 o 41.48080 16.15739 0.2914452      0.1332796     0.4122182      0.1773823     0.1348624      0.2019749     43.01363 17.94535 30.47849 14.85173 12.53513       23.29398 
1 1 1 9  2  106 f 31.50673 14.03190 0.1984968      0.1232795     0.1498931      0.1622283     0.2649232      0.1896540     27.78596 13.48731 30.16289 14.62769 -2.376928      19.89665 
1 1 1 9  2  107 o 22.97450 11.04282 0.8003022E-01  0.1023520     0.1557465      0.1471210     0.9010212E-02  0.1424854     24.45374 12.06769 21.28364 10.70971 3.170103       16.13465 
1 1 1 9  2  108 o 18.97978 9.446980 0.4697566E-01  0.9772339E-01 0.1131552      0.1404718     -0.1509244E-01 0.1360383     20.03025 10.14458 18.14222 9.263053 1.888027       13.73742 
1 1 1 9  2  109 o 15.97944 8.121401 0.2414701E-01  0.9557112E-01 0.1042700E-01  0.1368924     0.3719308E-01  0.1334879     15.97964 8.223430 16.22880 8.340451 -0.2491636     11.71272 
1 1 1 9  2  110 o 14.38492 7.388611 0.7647360E-01  0.1011099     0.1916124      0.1483906     -0.2330879E-01 0.1381409     14.75980 7.640151 13.53491 7.017052 1.224895       10.37357 
1 1 1 9  2  111 o 12.20097 6.327081 0.1704075E-01  0.1146903     0.3170653E-01  0.1817792     0.7341710E-02  0.1478277     12.25775 6.379968 12.17946 6.332515 0.7829475E-01  8.989146 
1 1 1 9  2  112 f 9.526975 4.951936 -0.1955467     0.8749058E-01 -0.1419041     0.1286004     -0.2417689     0.1193748     10.28559 5.353555 9.903624 5.154765 0.3819637      7.431834 
1 1 1 9  2  113 o 9.369386 4.879172 0.2368781E-01  0.1285791     0.4476751E-01  0.1882280     0.5245799E-02  0.1760582     9.381606 4.884288 9.340102 4.863408 0.4150391E-01  6.892678 
1 1 1 9  2  114 o 7.481646 3.896319 -0.1542495     0.9294727E-01 0.1291021      0.1368996     -0.3965633     0.1265985     7.995151 4.162455 7.368648 3.835281 0.6265025      5.659984 
1 1 1 9  2  115 o ?        ?        0.1858955      0.1519386     0.2241835      0.2198979     0.1509172      0.2101787     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  116 o ?        ?        0.2611955E-01  0.1281325     0.4813278E-01  0.1881120     0.7065985E-02  0.1750099     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  117 o ?        ?        0.3508198E-01  0.1287234     0.6701010E-01  0.1879186     0.6857084E-02  0.1766849     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  118 o ?        ?        0.1539626      0.1466725     0.3165215      0.2144267     0.1102551E-01  0.2010694     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  119 o ?        ?        0.2160722E-03  0.1241578     0.2687210E-01  0.1815168     -0.2321989E-01 0.1702003     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  2  120 o ?        ?        0.8193395E-01  0.1383249     0.6186231E-01  0.2006526     0.1001113      0.1909498     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  0   o 96.07177 29.10207 0.8076543      0.3368677     0.000000       0.000000      0.8076543      0.3368677     96.07177 29.10207 96.07177 29.10207 0.000000       0.000000 
1 1 1 9  3  1   o 109.8661 13.53042 0.8584701      0.2009264     0.8826079      0.2465362     0.8107219      0.3467451     110.6233 16.65622 103.7730 24.57733 6.850327       29.68964 
1 1 1 9  3  2   o 200.0279 13.13993 2.814559       0.3609102     2.876640       0.4419381     2.690256       0.6253546     201.3326 16.02958 191.3954 24.20328 9.937195       29.03009 
1 1 1 9  3  3   o 123.2343 13.27309 1.075939       0.2222981     1.007067       0.2704541     1.219368       0.3902920     118.1939 17.06580 128.3874 22.85320 -10.19350      28.52210 
1 1 1 9  3  4   o 145.1377 13.21638 1.487556       0.2619663     1.440601       0.3192035     1.584427       0.4584820     141.8984 16.60518 146.5305 23.45062 -4.632156      28.73436 
1 1 1 9  3  5   o 102.3640 16.81024 0.7586951      0.2293566     0.7586951      0.2293566     0.000000       0.000000      102.3640 16.81024 ?        ?        0.000000       16.81024 
1 1 1 9  3  6   o 94.64455 13.51918 0.6400611      0.1716581     0.6400611      0.1716581     0.000000       0.000000      94.64455 13.51918 ?        ?        0.000000       13.51918 
1 1 1 9  3  7   o 163.1605 13.09137 1.876066       0.2924594     1.876066       0.2924594     0.000000       0.000000      163.1605 13.09137 ?        ?        0.000000       13.09137 
1 1 1 9  3  8   o 166.9005 11.36489 1.952877       0.2603560     1.841898       0.2986479     2.304317       0.5314547     161.5546 13.51163 177.8608 22.11715 -16.30618      25.91780 
1 1 1 9  3  9   o 184.7327 11.37462 2.390498       0.2887368     2.439126       0.3317696     2.238672       0.5862269     186.2071 12.98462 174.0049 25.12664 12.20224       28.28336 
1 1 1 9  3  10  o 175.2073 11.39599 2.151267       0.2742043     1.968132       0.3134297     2.748636       0.5660787     166.9887 13.71412 194.7828 21.39961 -27.79413      25.41693 
1 1 1 9  3  11  o 194.7170 11.44074 2.655199       0.3062553     2.897959       0.3530767     1.917640       0.6154298     203.1415 12.65006 159.0972 29.08603 44.04436       31.71784 
1 1 1 9  3  12  o 255.8898 13.25673 4.598839       0.4668051     4.902467       0.5711151     3.987727       0.8102411     263.3055 15.78094 232.8631 25.62243 30.44241       30.09231 
1 1 1 9  3  13  o 354.7737 13.44860 8.820408       0.6588193     8.327811       0.7999630     9.858826       1.161476      343.2670 16.87718 369.3136 22.88875 -26.04654      28.43825 
1 1 1 9  3  14  o 140.3316 11.56584 1.383630       0.2221185     1.028601       0.3108138     1.754191       0.3175401     118.7609 19.63995 157.3281 14.79050 -38.56722      24.58631 
1 1 1 9  3  15  o 73.02915 12.27406 0.3825424      0.1193814     0.4357987      0.1672020     0.3271592      0.1705081     77.24342 16.19384 66.82423 18.05238 10.41919       24.25137 
1 1 1 9  3  16  o 88.31615 10.63984 0.5510683      0.1271400     0.5904346      0.2009062     0.5247719      0.1642024     90.09417 16.76652 85.34354 14.44949 4.750633       22.13378 
1 1 1 9  3  17  o 252.7816 10.17112 4.448367       0.3550197     4.822390       0.5647866     4.204041       0.4564783     261.2536 15.72945 244.5966 13.56871 16.65703       20.77319 
1 1 1 9  3  18  o 354.9951 9.529963 8.763775       0.4671449     8.164048       0.6548627     9.385152       0.6665784     341.2520 13.89751 366.1621 13.18378 -24.91013      19.15601 
1 1 1 9  3  19  o 207.5434 9.349183 2.994472       0.2679295     2.732449       0.3771764     3.261367       0.3806667     196.9551 13.95925 215.5712 12.84671 -18.61610      18.97099 
1 1 1 9  3  20  o 367.6235 9.494142 9.396701       0.4819444     9.260418       0.6807528     9.533641       0.6823949     363.6232 13.55813 369.0122 13.39236 -5.389038      19.05724 
1 1 1 9  3  21  o 218.8705 10.22245 3.334310       0.3089442     3.573861       0.4915665     3.177909       0.3971932     224.7704 15.94159 212.6008 13.60132 12.16956       20.95543 
1 1 1 9  3  22  o 322.1686 10.33631 7.225230       0.4598187     7.073257       0.7274143     7.326370       0.5934185     316.2617 16.71639 323.5525 13.28246 -7.290741      21.35091 
1 1 1 9  3  23  o 178.6784 10.24435 2.229079       0.2516969     2.167443       0.3985903     2.269958       0.3246017     174.5645 16.74143 179.6668 13.17601 -5.102341      21.30453 
1 1 1 9  3  24  o 228.7258 10.19015 3.640635       0.3218354     3.627590       0.5098546     3.649276       0.4149525     226.3371 16.42557 228.0123 13.23656 -1.675186      21.09517 
1 1 1 9  3  25  o 113.1248 11.82020 0.9023288      0.1819110     0.9373552      0.2577051     0.8675429      0.2568193     114.1439 16.85786 109.5398 17.57335 4.604012       24.35180 
1 1 1 9  3  26  o 213.5576 11.51770 3.189517       0.3383842     3.371402       0.4810891     3.011427       0.4760458     218.2844 16.07427 205.9785 16.88589 12.30589       23.31342 
1 1 1 9  3  27  o 145.0255 10.35710 1.471170       0.2060413     1.155847       0.3253859     1.682236       0.2662133     126.3050 19.26693 154.6780 12.57298 -28.37298      23.00639 
1 1 1 9  3  28  o 185.7222 10.29739 2.407750       0.2630420     1.975342       0.4155574     2.696830       0.3397759     166.0842 18.43109 196.0681 12.61711 -29.98384      22.33599 
1 1 1 9  3  29  o 337.1305 10.40821 7.911454       0.4845203     8.317949       0.7754205     7.651088       0.6205863     343.6383 16.34172 330.5872 13.59497 13.05115       21.25735 
1 1 1 9  3  30  o 229.4143 11.63153 3.680099       0.3672593     2.958792       0.7387384     3.916896       0.4232717     199.8291 27.50152 236.3264 13.02111 -36.49730      30.42832 
1 1 1 9  3  31  o 211.5442 13.36949 3.143635       0.3885207     3.272140       0.6879717     3.083461       0.4707782     211.9670 23.92379 208.5759 16.48035 3.391129       29.05081 
1 1 1 9  3  32  o 155.9631 10.38270 1.700485       0.2223214     1.433439       0.2873937     2.098433       0.3508300     142.1652 14.85976 172.2779 14.89436 -30.11272      21.03936 
1 1 1 9  3  33  o 332.5950 9.483828 7.690187       0.4355493     7.512152       0.6162625     7.867871       0.6156575     327.5258 13.62644 335.3035 13.29729 -7.777710      19.03937 
1 1 1 9  3  34  o 148.8032 9.503276 1.545585       0.1942454     1.420097       0.2749783     1.670575       0.2744314     141.6238 14.25498 154.0127 13.02658 -12.38887      19.31053 
1 1 1 9  3  35  o 150.3395 10.43518 1.581143       0.2152847     1.725324       0.2795377     1.370963       0.3375066     156.5185 13.05319 138.0569 18.14403 18.46155       22.35155 
1 1 1 9  3  36  o 114.2784 10.70559 0.9176556      0.1669635     0.8661644      0.2160574     0.9939913      0.2630669     110.1714 14.55908 117.6028 16.66624 -7.431427      22.12985 
1 1 1 9  3  37  o 185.8795 11.57515 2.420467       0.2956214     2.275072       0.4172091     2.567072       0.4189399     178.6483 17.12261 190.1911 16.10355 -11.54276      23.50549 
1 1 1 9  3  38  o 185.4678 9.400107 2.398394       0.2399484     2.250790       0.3379333     2.548479       0.3407610     178.6344 13.80744 190.3531 13.04303 -11.71870      18.99384 
1 1 1 9  3  39  o 100.2404 9.232143 0.7046043      0.1263499     0.5673682      0.1662535     0.8922449      0.1944016     88.88086 14.01042 112.2023 12.77536 -23.32146      18.96053 
1 1 1 9  3  40  o 249.5447 8.675870 4.327941       0.2989505     4.165744       0.3941721     4.547574       0.4586828     244.1672 11.69124 254.4037 13.10172 -10.23650      17.55962 
1 1 1 9  3  41  o 223.2153 9.394296 3.467404       0.2895517     3.380985       0.4092422     3.554031       0.4097342     219.0706 13.59591 224.7335 13.26250 -5.662842      18.99322 
1 1 1 9  3  42  f 115.7035 9.970608 0.9394983      0.1577409     0.7718502      0.2229387     1.107570       0.2232202     103.3484 16.15077 125.0093 13.12767 -21.66089      20.81306 
1 1 1 9  3  43  o 131.2336 8.905619 1.203416       0.1604238     1.340019       0.2127581     1.023409       0.2442316     138.0425 11.25992 119.5673 15.13152 18.47519       18.86130 
1 1 1 9  3  44  o 129.7258 8.965502 1.176475       0.1596122     1.160264       0.2110119     1.198155       0.2440202     128.1821 12.06371 129.8331 13.82401 -1.650970      18.34765 
1 1 1 9  3  45  o 259.3870 8.147842 4.676473       0.2918292     4.762385       0.4134265     4.591156       0.4119949     260.9019 11.47580 256.1172 11.64971 4.784760       16.35267 
1 1 1 9  3  46  o 165.1361 8.177574 1.895977       0.1864681     1.987480       0.2646112     1.805715       0.2628094     168.1350 11.46598 160.0933 11.97531 8.041641       16.57941 
1 1 1 9  3  47  o 181.9861 8.171337 2.303166       0.2053380     2.229514       0.2903597     2.376850       0.2904237     177.9613 11.88440 183.8840 11.49570 -5.922638      16.53451 
1 1 1 9  3  48  o 164.5805 8.211957 1.884307       0.1866221     2.003108       0.2643430     1.766258       0.2635061     168.7300 11.41298 158.1913 12.15641 10.53873       16.67436 
1 1 1 9  3  49  o 202.5900 8.780017 2.858903       0.2456130     3.037502       0.3254511     2.622590       0.3743601     207.9025 11.37993 192.1803 14.20798 15.72223       18.20355 
1 1 1 9  3  50  o 160.8390 10.64237 1.817451       0.2350208     2.097701       0.3059365     1.413942       0.3671002     172.1521 12.96526 138.7811 19.71037 33.37103       23.59230 
1 1 1 9  3  51  o 110.9122 10.94835 0.8695433      0.1654860     0.9339557      0.2651797     0.8284584      0.2117862     113.0464 17.55776 107.2423 14.68786 5.804108       22.89123 
1 1 1 9  3  52  o 160.7192 9.577228 1.809545       0.2115778     1.723234       0.2987289     1.896422       0.2997060     155.5285 14.06216 163.4395 13.39785 -7.911011      19.42284 
1 1 1 9  3  53  o 85.65769 10.49083 0.5207940      0.1214899     0.6120344      0.1515153     0.3565048      0.2033139     92.56450 12.14753 69.29723 20.08327 23.26727       23.47127 
1 1 1 9  3  54  f 200.1346 8.786175 2.792075       0.2428063     2.827445       0.3211821     2.744901       0.3709242     200.3489 11.66027 196.6348 13.74764 3.714081       18.02663 
1 1 1 9  3  55  o 178.0961 8.823281 2.211406       0.2169814     2.157090       0.2871072     2.283748       0.3313401     174.7962 11.96728 179.3553 13.47748 -4.559143      18.02382 
1 1 1 9  3  56  o 153.4022 9.008109 1.647021       0.1899737     1.700030       0.2519856     1.577217       0.2891617     155.1021 11.85556 148.5931 14.26847 6.508987       18.55111 
1 1 1 9  3  57  o 199.8955 8.846831 2.786680       0.2441905     2.809688       0.3235183     2.756216       0.3722651     199.6163 11.78952 196.9556 13.77492 2.660706       18.13122 
1 1 1 9  3  58  o 135.5632 9.147598 1.288354       0.1702313     1.247451       0.2255162     1.342531       0.2595403     132.5227 12.47060 137.0686 13.90538 -4.545868      18.67821 
1 1 1 9  3  59  o 207.2298 8.900585 2.996168       0.2546881     3.152188       0.3380986     2.791486       0.3872510     211.4793 11.62270 197.9445 14.26367 13.53482       18.39944 
1 1 1 9  3  60  o 163.3571 9.682393 1.871940       0.2174291     1.950803       0.3063390     1.791879       0.3086564     165.5585 13.51822 158.3559 14.26898 7.202576       19.65569 
1 1 1 9  3  61  o 183.5624 8.927819 2.351608       0.2262909     2.400227       0.3429664     2.314122       0.3011442     183.6818 13.61921 180.8943 12.12641 2.787491       18.23548 
1 1 1 9  3  62  o 87.17623 10.92619 0.5411810      0.1286348     0.6581369      0.2182575     0.4789328      0.1592287     94.36549 17.39088 80.91620 14.79634 13.44930       22.83363 
1 1 1 9  3  63  o 73.11535 11.88701 0.3853897      0.1158879     0.3310432      0.1946862     0.4152138      0.1442223     66.77316 19.73931 75.30939 14.39372 -8.536224      24.42989 
1 1 1 9  3  64  o 210.0901 9.738500 3.087837       0.2825111     3.157901       0.3956984     3.014991       0.4034773     210.7157 13.67359 205.5913 14.30173 5.124329       19.78653 
1 1 1 9  3  65  o 130.3271 10.34600 1.197595       0.1846540     1.163281       0.2565145     1.234500       0.2660254     127.0323 14.90716 130.8785 14.99065 -3.846123      21.14103 
1 1 1 9  3  66  o 194.6738 9.021252 2.647249       0.2425003     2.875532       0.3695789     2.474657       0.3213508     201.0873 13.38670 186.8265 12.52926 14.26085       18.33537 
1 1 1 9  3  67  o 117.9335 9.680606 0.9798163      0.1562534     1.139306       0.2371935     0.8575398      0.2076861     125.9853 13.86411 109.0236 14.12811 16.96172       19.79437 
1 1 1 9  3  68  o 94.20957 10.42607 0.6301394      0.1333556     0.6316944      0.2017460     0.6289327      0.1777175     92.55606 16.38527 93.02872 14.29205 -0.4726563     21.74259 
1 1 1 9  3  69  o 144.7162 9.443136 1.472344       0.1876655     1.721311       0.2852158     1.282266       0.2492112     155.1537 13.44586 133.6689 13.69539 21.48483       19.19258 
1 1 1 9  3  70  o 77.06310 11.80230 0.4284340      0.1215892     0.3730807      0.1618409     0.5001643      0.1842332     70.52745 16.84925 81.85344 16.86142 -11.32599      23.83705 
1 1 1 9  3  71  o 109.1612 11.70031 0.8514380      0.1736127     1.225255       0.2532180     0.5198298      0.2384940     130.1818 14.32353 82.11771 20.96175 48.06412       25.38816 
1 1 1 9  3  72  o 154.3694 10.60245 1.687414       0.2246284     2.471760       0.4035244     1.335229       0.2703968     184.2184 16.02308 135.6545 14.66901 48.56390       21.72370 
1 1 1 9  3  73  o 148.5396 10.55058 1.565458       0.2149921     1.744698       0.3082474     1.395671       0.3000095     155.0231 14.57107 137.7863 16.07044 17.23679       21.69275 
1 1 1 9  3  74  o 221.0892 9.268291 3.439943       0.2829470     3.517917       0.3775021     3.339981       0.4274275     221.6296 12.38496 214.5016 14.51637 7.127930       19.08172 
1 1 1 9  3  75  o 150.5939 9.235582 1.604012       0.1911205     1.711632       0.2708224     1.497241       0.2697512     153.8980 12.86213 143.3950 13.79377 10.50301       18.86008 
1 1 1 9  3  76  o 135.7150 9.565330 1.308846       0.1781057     1.303116       0.2523861     1.314529       0.2513759     133.3513 13.91142 134.0098 13.78106 -0.6584930     19.58176 
1 1 1 9  3  77  o 72.17564 12.58531 0.3858064      0.1208668     0.3738092      0.1721891     0.3974594      0.1697008     69.10682 17.90097 71.44932 17.36964 -2.342499      24.94292 
1 1 1 9  3  78  f 35.98310 13.86245 0.6868875E-01  0.9727244E-01 0.1523238      0.1378137     -0.1434284E-01 0.1373156     47.11100 16.79547 34.39199 15.08347 12.71901       22.57430 
1 1 1 9  3  79  o 38.52096 14.22355 0.9207058E-01  0.9997524E-01 0.2049377      0.1416014     -0.2011351E-01 0.1411723     52.13271 17.06557 34.41208 15.18590 17.72063       22.84393 
1 1 1 9  3  80  o 104.6425 11.57612 0.8020690      0.1644649     0.8759364      0.2195056     0.7075287      0.2483291     107.2688 15.24880 93.26752 19.88942 14.00129       25.06223 
1 1 1 9  3  81  o 93.05547 12.14908 0.6413134      0.1523818     0.6488801      0.2037419     0.6317074      0.2295619     90.94328 16.84487 88.03238 19.40744 2.910904       25.69822 
1 1 1 9  3  82  o 172.8142 10.00283 2.153238       0.2376727     1.915023       0.3624825     2.332883       0.3147821     156.8535 17.00864 177.4173 12.93839 -20.56371      21.37045 
1 1 1 9  3  83  o 69.90467 14.12625 0.3764950      0.1316637     0.5104086      0.1999500     0.2739793      0.1749462     79.00963 18.63059 58.36243 18.96216 20.64720       26.58313 
1 1 1 9  3  84  o 138.7379 11.40801 1.412691       0.2166100     1.459861       0.3006641     1.361789       0.3123348     137.0973 16.19511 130.9918 17.72291 6.105560       24.00798 
1 1 1 9  3  85  o 109.2549 11.65680 0.8822786      0.1731413     0.7735636      0.2260915     1.036447       0.2692390     98.56217 17.24042 113.9997 17.67625 -15.43756      24.69174 
1 1 1 9  3  86  o 98.27184 11.27238 0.7126582      0.1501948     0.7100885      0.2127267     0.7152126      0.2120896     94.51883 16.92049 94.95938 16.78913 -0.4405518     23.83648 
1 1 1 9  3  87  o 89.32364 11.99339 0.5950259      0.1441896     0.5543931      0.2034556     0.6360276      0.2043773     82.29678 18.36939 89.12590 17.23033 -6.829124      25.18568 
1 1 1 9  3  88  o 85.34064 12.29641 0.5456162      0.1407188     0.6255475      0.1979918     0.4640252      0.2000368     88.71445 16.77735 74.58949 19.28117 14.12495       25.55861 
1 1 1 9  3  89  o 94.46959 11.82417 0.6630241      0.1508627     0.6604363      0.2116322     0.6656979      0.2151146     90.68425 17.53526 90.87790 17.77925 -0.1936493     24.97173 
1 1 1 9  3  90  o 160.5454 10.43741 1.875028       0.2301248     1.977951       0.3040072     1.736909       0.3521701     161.9780 13.72115 147.8630 17.59404 14.11499       22.31188 
1 1 1 9  3  91  o 131.7834 12.35816 1.294365       0.2222543     1.514184       0.3183982     1.085471       0.3103850     138.2814 17.03533 113.7001 20.52504 24.58125       26.67358 
1 1 1 9  3  92  o 78.49651 15.89831 0.4910566      0.1664138     0.5489518      0.3007441     0.4655070      0.1997872     76.22857 24.86654 74.11055 19.32380 2.118019       31.49213 
1 1 1 9  3  93  o 44.60710 16.12787 0.1448997      0.1275505     0.6860650E-01  0.1818738     0.2187428      0.1789297     42.42049 17.96197 52.63085 19.09071 -10.21036      26.21235 
1 1 1 9  3  94  o 75.42292 14.32033 0.4507158      0.1436856     0.5528950      0.1912777     0.3183859      0.2176765     81.24152 17.56277 59.93967 21.13598 21.30186       27.48055 
1 1 1 9  3  95  o 41.62444 15.07922 0.1284189      0.1115826     0.2295645      0.1570156     0.2522238E-01  0.1585996     52.13271 17.97765 37.26925 16.28119 14.86346       24.25434 
1 1 1 9  3  96  o 109.1555 11.30251 0.9097230      0.1678882     0.9891810      0.2376566     0.8305677      0.2372035     108.5882 16.35757 97.23405 18.33959 11.35410       24.57460 
1 1 1 9  3  97  o 46.99211 15.85878 0.1885656      0.1220800     0.5206335E-01  0.1711908     0.3298137      0.1741414     38.64839 16.89856 58.98280 18.89444 -20.33441      25.34879 
1 1 1 9  3  98  o 86.45049 13.13817 0.6124048      0.1518971     0.7457259      0.2146959     0.4787874      0.2149343     89.80097 17.94197 67.23016 20.92158 22.57081       27.56132 
1 1 1 9  3  99  o 65.06380 15.58383 0.3866836      0.1381622     0.4113552      0.1948876     0.3617555      0.1958982     61.14760 20.02089 57.00256 20.05614 4.145046       28.33875 
1 1 1 9  3  100 o 96.53507 12.54650 0.7942425      0.1632885     0.8207861      0.2304462     0.7674772      0.2314065     86.87489 19.66811 82.31247 20.45055 4.562416       28.37357 
1 1 1 9  3  101 o 81.35674 15.16521 0.6465983      0.1640971     0.7313613      0.2160873     0.5311224      0.2522157     77.33263 20.06400 56.06662 22.11100 21.26602       29.85733 
1 1 1 9  3  102 o 47.94242 16.55000 0.2886662      0.1330847     0.4544172      0.2019737     0.1614795      0.1769243     51.76767 19.96632 36.60966 16.51562 15.15801       25.91177 
1 1 1 9  3  103 o 28.24369 13.01779 0.5085380E-01  0.1177217     0.2023764E-01  0.2059537     0.6571070E-01  0.1434691     29.68731 14.57707 29.66392 13.90517 0.2339745E-01  20.14559 
1 1 1 9  3  104 o 27.97206 12.81528 0.8932111E-01  0.1117682     0.1133053      0.1480722     0.5755965E-01  0.1703967     28.93483 13.73305 27.31803 13.38203 1.616802       19.17486 
1 1 1 9  3  105 o 23.32522 11.22322 0.4164261E-01  0.1063900     0.1387988      0.1420826     -0.8235537E-01 0.1605141     26.68025 12.87085 21.80842 11.02180 4.871828       16.94517 
1 1 1 9  3  106 o 19.57352 9.666333 0.7713044E-02  0.9498992E-01 0.1375306      0.1370002     -0.1124754     0.1318214     23.12928 11.45615 18.32464 9.334980 4.804636       14.77787 
1 1 1 9  3  107 o 17.82886 8.945815 0.3203300E-01  0.9588943E-01 0.2401344      0.1388907     -0.1574952     0.1325478     21.24024 10.67244 15.83560 8.146200 5.404643       13.42615 
1 1 1 9  3  108 o 14.47015 7.397554 -0.2618656E-01 0.8929083E-01 -0.2406418E-01 0.1296776     -0.2810000E-01 0.1231293     14.99912 7.732277 14.90950 7.678777 0.8961678E-01  10.89733 
1 1 1 9  3  109 o 13.82729 7.123057 0.7433654E-01  0.1068668     0.6975231E-01  0.1436767     0.8001335E-01  0.1598842     13.60250 7.054569 13.60394 7.064084 -0.1441002E-02 9.983397 
1 1 1 9  3  110 o 12.15236 6.310066 0.8554755E-01  0.1269626     0.1145477      0.2043280     0.6730874E-01  0.1620412     12.02289 6.260425 11.98486 6.235837 0.3803444E-01  8.836208 
1 1 1 9  3  111 o 10.51263 5.471732 0.5354325E-01  0.1365149     -0.9915455E-01 0.1987690     0.1898799      0.1878186     10.27445 5.350445 10.66639 5.554847 -0.3919353     7.712561 
1 1 1 9  3  112 f 8.238183 4.289284 -0.2126532     0.9178763E-01 -0.1534218     0.1347950     -0.2638628     0.1253353     8.703068 4.532301 8.469200 4.410548 0.2338676      6.324135 
1 1 1 9  3  113 o 7.569883 3.940017 0.3934867E-01  0.1336208     0.2416867      0.1930980     -0.1465606     0.1850928     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  114 o ?        ?        0.1235043E-01  0.1309888     -0.1518205     0.1865646     0.1719610      0.1839552     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  115 o ?        ?        0.2133521      0.1582090     -0.6592382E-01 0.2277642     0.4737331      0.2199244     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  116 o ?        ?        0.7156852E-01  0.1394971     0.4391606E-02  0.2015425     0.1333468      0.1932745     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  117 o ?        ?        -0.1258526     0.1119027     -0.1016093     0.1624196     -0.1477591     0.1543939     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  118 o ?        ?        0.6012563E-01  0.1414519     -0.1128219E-01 0.2045831     0.1255287      0.1957925     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  3  119 o ?        ?        -0.4161813E-01 0.1785885     0.2346144E-01  0.2625954     -0.9762184E-01 0.2435977     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  0   o 97.50062 29.17001 0.8269380      0.3420559     0.000000       0.000000      0.8269380      0.3420559     97.50062 29.17001 97.50062 29.17001 0.000000       0.000000 
1 1 1 9  4  1   o 277.5546 13.26213 5.392149       0.5082762     5.070769       0.6201491     6.049838       0.8871499     267.5391 16.87336 289.6278 22.35593 -22.08871      28.00889 
1 1 1 9  4  2   o 159.8402 13.25880 1.799988       0.2899943     2.049520       0.3556814     1.305209       0.5008451     170.0878 15.30834 131.1516 28.47268 38.93616       32.32706 
1 1 1 9  4  3   o 125.8682 11.51721 1.114106       0.1979520     1.249189       0.2282641     0.7043961      0.3975344     133.1204 12.56677 96.81712 28.08951 36.30328       30.77246 
1 1 1 9  4  4   o 163.1034 11.35671 1.863925       0.2541766     1.925097       0.2926415     1.676028       0.5128821     165.4230 12.91390 150.1967 25.65070 15.22627       28.71806 
1 1 1 9  4  5   o 197.8762 11.34244 2.739181       0.3086189     2.721113       0.3552275     2.794802       0.6232505     196.7786 13.14916 195.7883 23.52449 0.9903412      26.95000 
1 1 1 9  4  6   o 184.5073 11.35921 2.382752       0.2879944     2.357708       0.3315733     2.459685       0.5811399     183.0963 13.20340 183.5519 23.46605 -0.4555817     26.92555 
1 1 1 9  4  7   o 86.78338 11.84679 0.5350412      0.1382544     0.5926107      0.1585148     0.3520264      0.2826287     91.17999 12.95447 71.64601 24.13016 19.53398       27.38764 
1 1 1 9  4  8   o 174.3043 11.45686 2.127838       0.2742114     1.786847       0.3135820     3.235783       0.5652471     158.9698 14.44321 212.5686 19.47402 -53.59885      24.24549 
1 1 1 9  4  9   o 239.6908 11.36068 4.006188       0.3760050     3.766417       0.4308242     4.772614       0.7702584     231.5501 13.53354 257.3647 21.88212 -25.81461      25.72905 
1 1 1 9  4  10  o 242.5027 11.35100 4.100561       0.3800918     4.223876       0.4383728     3.727083       0.7629013     245.4212 12.98198 225.8425 24.87643 19.57861       28.06009 
1 1 1 9  4  11  f 224.8779 11.43378 3.535346       0.3538686     3.561917       0.4084246     3.455340       0.7087153     225.2641 13.18803 217.8202 23.95933 7.443878       27.34911 
1 1 1 9  4  12  o 309.5003 13.29784 6.703140       0.5683035     6.942569       0.6971715     6.228966       0.9811164     313.5938 16.15520 292.8302 24.48904 20.76358       29.33775 
1 1 1 9  4  13  o 254.0476 13.25241 4.527523       0.4632765     4.688512       0.5672197     4.204946       0.8029164     257.6074 16.02552 240.2408 24.54879 17.36662       29.31656 
1 1 1 9  4  14  o 131.2180 13.39262 1.216999       0.2392579     1.468570       0.2926575     0.7099944      0.4154659     143.8884 14.94793 97.33097 28.85125 46.55741       32.49362 
1 1 1 9  4  15  o 184.8697 11.41356 2.391803       0.2899315     2.483027       0.4082883     2.299011       0.4117843     187.1992 15.94722 179.8326 16.77672 7.366638       23.14675 
1 1 1 9  4  16  o 186.8206 11.42122 2.442390       0.2932136     2.395087       0.4126728     2.490618       0.4166898     183.6856 16.44420 187.3933 16.26484 -3.707748      23.12913 
1 1 1 9  4  17  o 240.5794 11.40615 4.035526       0.3789096     4.111378       0.5352468     3.959325       0.5364733     241.1328 16.16895 236.4861 16.53276 4.646652       23.12503 
1 1 1 9  4  18  o 126.9601 11.64503 1.133450       0.2018731     1.207657       0.2844765     1.058173       0.2865178     130.0274 16.19533 121.2057 17.63673 8.821716       23.94458 
1 1 1 9  4  19  o 310.9905 11.64356 6.745808       0.5000011     6.392078       0.7014286     7.111232       0.7129284     300.5709 16.96984 317.3583 16.32418 -16.78735      23.54685 
1 1 1 9  4  20  o 317.5066 11.62032 7.031187       0.5094587     7.062758       0.7188582     6.999328       0.7221198     316.1856 16.52242 314.6922 16.67777 1.493439       23.47634 
1 1 1 9  4  21  o 208.0379 11.50687 3.026964       0.3292659     2.819113       0.4627461     3.240119       0.4686138     199.2305 16.98304 214.0158 15.97245 -14.78534      23.31400 
1 1 1 9  4  22  o 367.6546 11.69034 9.428690       0.5934788     9.294396       0.8365986     9.564735       0.8420393     363.1067 16.68572 368.4100 16.55248 -5.303284      23.50314 
1 1 1 9  4  23  o 208.0396 10.24191 3.011897       0.2942149     3.006079       0.4642552     3.015801       0.3803438     205.9407 16.46352 207.1886 13.36581 -1.247925      21.20595 
1 1 1 9  4  24  o 215.9514 10.23344 3.245366       0.3051515     3.174527       0.4811908     3.293018       0.3946591     211.6149 16.60090 216.5620 13.26169 -4.947113      21.24764 
1 1 1 9  4  25  o 137.7027 11.66125 1.331838       0.2196476     1.446931       0.4412052     1.293914       0.2532628     140.1379 23.64197 135.2623 13.75113 4.875626       27.35025 
1 1 1 9  4  26  o 40.67674 13.34507 0.1111805      0.8657221E-01 0.1522307      0.1084741     0.3916027E-01  0.1436796     46.93124 14.89955 39.78481 16.33129 7.146431       22.10673 
1 1 1 9  4  27  f 190.9366 11.52760 2.551783       0.3024996     2.396185       0.3489895     3.021880       0.6066024     184.4528 13.80221 204.4586 21.82345 -20.00586      25.82177 
1 1 1 9  4  28  o 106.1962 12.00337 0.7969916      0.1729254     0.8846379      0.2008848     0.5462233      0.3397947     111.6785 13.28768 86.16367 26.21780 25.51480       29.39278 
1 1 1 9  4  29  o 417.9439 11.83328 12.19203       0.6829064     12.19860       0.9653457     12.18544       0.9662060     415.7670 16.81492 415.5295 16.83952 0.2374268      23.79729 
1 1 1 9  4  30  f 158.4567 10.40460 1.755750       0.2263885     1.494613       0.3548547     1.934987       0.2939894     144.1918 18.22993 165.8279 12.94162 -21.63608      22.35657 
1 1 1 9  4  31  o 319.2114 10.34818 7.095907       0.4561215     6.944983       0.7181888     7.197937       0.5905018     313.2521 16.66369 320.5893 13.33934 -7.337158      21.34518 
1 1 1 9  4  32  o 102.2052 9.877482 0.7335789      0.1376606     0.6282875      0.1933740     0.8417667      0.1960157     93.29317 15.55902 108.8531 13.31888 -15.55994      20.48110 
1 1 1 9  4  33  o 184.4878 9.405737 2.373355       0.2388110     2.410195       0.3375260     2.336426       0.3379338     185.0136 13.30066 182.0826 13.53761 2.931015       18.97827 
1 1 1 9  4  34  o 207.3419 9.357139 2.990615       0.2678972     3.015132       0.3786900     2.966053       0.3790379     206.9851 13.32046 205.2501 13.44835 1.735046       18.92863 
1 1 1 9  4  35  o 81.91623 10.20644 0.4745598      0.1129428     0.4985438      0.1593224     0.4503317      0.1601311     83.08819 14.40903 78.67844 15.29033 4.409744       21.00986 
1 1 1 9  4  36  o 102.8439 11.00893 0.7463407      0.1539087     0.9570661      0.2481551     0.6146109      0.1962035     115.3933 16.00512 92.05050 16.01807 23.34282       22.64382 
1 1 1 9  4  37  o 290.5481 10.39981 5.886456       0.4172356     5.936511       0.6642036     5.853830       0.5362424     289.0878 16.71050 288.7851 13.44771 0.3026428      21.44952 
1 1 1 9  4  38  o 200.7300 9.432812 2.805205       0.2614517     2.907558       0.3709206     2.704136       0.3685875     203.1140 13.29865 195.7191 13.72542 7.394897       19.11128 
1 1 1 9  4  39  o 376.5347 9.622868 9.876213       0.5003196     10.11318       0.7111619     9.643996       0.7040100     379.3611 13.57619 370.3654 13.76609 8.995697       19.33437 
1 1 1 9  4  40  o 146.3232 9.734284 1.498581       0.1955555     1.552305       0.2772576     1.445397       0.2758622     147.9620 13.72681 142.5997 14.19873 5.362350       19.74916 
1 1 1 9  4  41  o 174.3711 9.543872 2.125041       0.2289212     2.398172       0.3258533     1.858872       0.3216741     184.3797 12.87976 161.7185 14.56133 22.66121       19.44018 
1 1 1 9  4  42  o 150.1184 9.639795 1.577505       0.1987639     1.640248       0.2814855     1.515110       0.2807052     152.0929 13.54499 145.9689 14.10248 6.123962       19.55368 
1 1 1 9  4  43  o 226.3109 9.467008 3.570870       0.2958395     3.548430       0.4184234     3.593300       0.4183371     224.0586 13.58856 225.5104 13.49652 -1.451767      19.15216 
1 1 1 9  4  44  o 198.2964 10.57395 2.756571       0.2884824     2.756812       0.3721426     2.756207       0.4566590     197.2823 13.74694 195.9454 17.04780 1.336838       21.89990 
1 1 1 9  4  45  o 157.5391 10.71512 1.743956       0.2317046     1.742505       0.2984888     1.746157       0.3675436     156.5332 13.95607 155.4596 17.42156 1.073578       22.32225 
1 1 1 9  4  46  o 245.2909 10.48507 4.207778       0.3551326     4.270754       0.4584948     4.113335       0.5614762     245.7159 13.56590 239.4580 17.09334 6.257904       21.82237 
1 1 1 9  4  47  o 135.7759 9.980170 1.294678       0.1857992     1.307946       0.2638599     1.281629       0.2616734     135.2764 14.34468 133.8842 14.37972 1.392197       20.31123 
1 1 1 9  4  48  o 245.1115 10.43961 4.203019       0.3533344     4.255858       0.5587644     4.167812       0.4561017     243.6564 16.70877 242.5922 13.67164 1.064194       21.58928 
1 1 1 9  4  49  o 223.6814 9.506186 3.492859       0.2936123     3.497682       0.4139711     3.487978       0.4165013     222.1893 13.55789 221.8361 13.66357 0.3531952      19.24862 
1 1 1 9  4  50  o 96.53860 10.27815 0.6589570      0.1349035     0.6542268      0.1658689     0.6682000      0.2318626     95.55048 12.90158 94.96590 18.34581 0.5845795      22.42810 
1 1 1 9  4  51  f 162.2507 8.874783 1.840800       0.1980766     1.684067       0.2626847     2.047369       0.3015688     154.2173 12.44159 169.9634 12.94709 -15.74605      17.95606 
1 1 1 9  4  52  o 81.77602 9.374391 0.4727362      0.1039421     0.4788837      0.1469923     0.4665881      0.1470002     81.32177 13.56840 80.19497 13.77104 1.126801       19.33243 
1 1 1 9  4  53  o 302.2460 8.892733 6.371129       0.3711365     6.224193       0.4906316     6.567672       0.5674388     297.5415 11.94180 304.8914 13.47832 -7.349823      18.00755 
1 1 1 9  4  54  o 148.6824 9.078535 1.548151       0.1854929     1.623253       0.2461338     1.449424       0.2822029     151.5178 11.85901 142.2617 14.57161 9.256134       18.78744 
1 1 1 9  4  55  o 204.6008 8.927265 2.920512       0.2522108     2.900479       0.3340061     2.947088       0.3847023     202.7214 11.98537 203.6506 13.76122 -0.9291840     18.24884 
1 1 1 9  4  56  o 236.2340 9.560569 3.899914       0.3118632     4.112722       0.4407094     3.686464       0.4413736     240.9010 13.30030 227.6685 14.10946 13.23247       19.39007 
1 1 1 9  4  57  o 309.0101 9.607398 6.674629       0.4099363     6.539361       0.5774235     6.812084       0.5820796     303.9047 13.76002 310.2741 13.58623 -6.369415      19.33711 
1 1 1 9  4  58  o 120.9547 10.04224 1.030682       0.1662058     1.090389       0.2328700     0.9686859      0.2372934     123.3354 13.91712 115.7433 15.21621 7.592110       20.62085 
1 1 1 9  4  59  o 264.0931 8.919529 4.867946       0.3252648     4.834431       0.4310916     4.912245       0.4956162     262.0739 11.91263 263.0413 13.69263 -0.9674377     18.14935 
1 1 1 9  4  60  o 95.77243 11.56497 0.6537929      0.1498443     1.044949       0.2174393     0.3000287      0.2067855     120.8947 13.24206 64.34492 20.58697 56.54980       24.47807 
1 1 1 9  4  61  o 234.3662 10.73247 3.853423       0.3473222     4.193113       0.4499358     3.352532       0.5463630     243.0336 13.45996 214.5186 18.62998 28.51500       22.98362 
1 1 1 9  4  62  o 266.5446 9.050440 4.962039       0.3331023     5.113285       0.4393602     4.757583       0.5108330     269.4933 11.80687 258.3843 14.37462 11.10898       18.60193 
1 1 1 9  4  63  o 109.2962 9.256670 0.8406494      0.1383879     0.9250823      0.1968496     0.7581435      0.1945901     113.7704 12.74973 102.4505 14.13140 11.31994       19.03292 
1 1 1 9  4  64  o 225.5379 8.442723 3.548879       0.2629299     3.474157       0.3729315     3.622731       0.3707562     221.5710 12.23671 226.4206 11.90037 -4.849609      17.06915 
1 1 1 9  4  65  o 124.1348 9.621694 1.085041       0.1636352     1.219857       0.2481626     0.9813336      0.2176569     130.3096 14.01200 116.8182 13.75720 13.49133       19.63661 
1 1 1 9  4  66  o 88.61126 10.44584 0.5586181      0.1253555     0.6255121      0.1890145     0.5060923      0.1674896     92.38628 15.35569 82.95100 15.18222 9.435287       21.59391 
1 1 1 9  4  67  o 86.59048 11.91325 0.5388861      0.1386698     0.5706729      0.1926980     0.5047448      0.1997073     87.69916 16.51872 81.86041 18.14439 5.838745       24.53746 
1 1 1 9  4  68  o 107.8400 12.40117 0.8342065      0.1813016     1.053871       0.2911517     0.6950824      0.2317081     119.0007 18.30528 96.29988 18.08941 22.70078       25.73538 
1 1 1 9  4  69  o 49.91708 14.57137 0.1826254      0.1066842     0.1878179      0.2463855     0.1814273      0.1183544     57.34270 22.07050 50.07991 15.51532 7.262794       26.97836 
1 1 1 9  4  70  o 164.6544 10.05784 1.916243       0.2275769     2.100103       0.3849530     1.817461       0.2821648     169.0741 16.70751 159.1289 12.95393 9.945206       21.14108 
1 1 1 9  4  71  o 79.80637 11.98356 0.4624864      0.1279777     0.5597289      0.1837300     0.3708403      0.1783648     86.49557 15.97162 69.52106 18.32210 16.97452       24.30621 
1 1 1 9  4  72  o 69.62662 12.86576 0.3576329      0.1191377     0.3822312      0.1693713     0.3335421      0.1676146     70.57410 17.47299 65.88889 17.94001 4.685219       25.04295 
1 1 1 9  4  73  o 120.0664 10.05934 1.027887       0.1652372     1.262338       0.2481492     0.8411226      0.2214797     131.3564 13.89197 106.1910 15.56675 25.16541       20.86410 
1 1 1 9  4  74  o 64.14017 12.07801 0.3042898      0.1030456     0.3580584      0.1467118     0.2519389      0.1447647     68.39434 15.84547 57.42328 17.03257 10.97106       23.26343 
1 1 1 9  4  75  o 35.32362 13.08031 0.7414741E-01  0.8466991E-01 0.1406908      0.1203865     0.9011514E-02  0.1191065     45.11934 15.73124 33.67286 14.40537 11.44648       21.33041 
1 1 1 9  4  76  o 82.67046 11.41429 0.5002756      0.1268224     0.5898824      0.1792847     0.4105302      0.1794234     88.06538 15.29861 71.96442 18.07926 16.10095       23.68347 
1 1 1 9  4  77  o 75.66589 12.43681 0.4262685      0.1254254     0.3911836      0.1682483     0.4701569      0.1881767     70.24535 17.42905 76.81689 18.04708 -6.571548      25.08923 
1 1 1 9  4  78  o 71.94492 12.73865 0.3887378      0.1219183     0.4479528      0.1706090     0.3269423      0.1742869     75.33991 16.82492 63.68700 18.63400 11.65291       25.10585 
1 1 1 9  4  79  o 154.4461 9.820934 1.716700       0.2083557     1.598879       0.3108750     1.812789       0.2807426     144.4675 15.84396 156.2787 13.13152 -11.81129      20.57834 
1 1 1 9  4  80  o 83.30715 11.46612 0.5131333      0.1284022     0.4573815      0.1818977     0.5685073      0.1812801     75.30048 17.77888 85.29912 15.97820 -9.998634      23.90379 
1 1 1 9  4  81  o 28.81011 12.15511 0.1456875E-01  0.8280733E-01 0.1642631      0.1239808     -0.1059903     0.1112632     47.01090 15.98120 25.70313 12.11023 21.30777       20.05135 
1 1 1 9  4  82  o 76.13032 14.51700 0.4482361      0.1470364     0.3497273      0.1984705     0.5680802      0.2189107     64.68468 20.10021 82.69714 19.48978 -18.01246      27.99768 
1 1 1 9  4  83  f 115.7018 11.11671 0.9829745      0.1754183     0.8607775      0.2268036     1.164905       0.2767403     104.8514 16.18641 121.5609 16.94798 -16.70942      23.43574 
1 1 1 9  4  84  o 68.50111 12.90951 0.3574407      0.1176294     0.3637557      0.1666748     0.3511743      0.1660332     66.71732 17.77308 65.51557 17.86217 1.201744       25.19801 
1 1 1 9  4  85  o 134.4813 9.770062 1.308594       0.1801859     1.444878       0.2557577     1.174288       0.2538952     138.5158 13.54519 123.4602 15.21521 15.05566       20.37093 
1 1 1 9  4  86  o 103.1007 10.84989 0.7797980      0.1521450     0.9587241      0.2171400     0.6072351      0.2132439     112.0971 14.35838 86.22123 18.46761 25.87584       23.39264 
1 1 1 9  4  87  o 127.1217 10.20805 1.174502       0.1776733     1.447549       0.2536396     0.9114336      0.2489617     138.7944 13.40114 106.9377 17.46308 31.85670       22.01249 
1 1 1 9  4  88  o 121.8266 11.21180 1.091291       0.1864894     1.329662       0.2504466     0.7946349      0.2793931     132.4882 13.89682 96.21832 21.56303 36.26989       25.65319 
1 1 1 9  4  89  o 71.87656 15.97797 0.4119726      0.1544703     0.5292981      0.2332985     0.3203868      0.2061246     78.13206 21.12014 61.73200 20.60800 16.40006       29.50848 
1 1 1 9  4  90  o 64.95144 15.93619 0.3395849      0.1418519     0.3445278      0.2735706     0.3377672      0.1658961     63.15036 23.48664 63.74319 18.03714 -0.5928345     29.61352 
1 1 1 9  4  91  o 55.27492 15.97105 0.2479248      0.1287520     0.4223720      0.1872511     0.9149075E-01  0.1773202     70.33638 18.88305 43.44941 18.01899 26.88697       26.10083 
1 1 1 9  4  92  o 32.88683 13.64662 0.3914878E-01  0.1017924     0.1562319      0.1399283     -0.9245784E-01 0.1483533     45.77342 16.83967 30.75943 14.32676 15.01399       22.10951 
1 1 1 9  4  93  o 54.54467 15.01878 0.2451942      0.1167036     0.5743729      0.1696832     -0.5029275E-01 0.1607652     84.10833 15.16843 33.66138 15.40265 50.44695       21.61765 
1 1 1 9  4  94  o 98.62860 11.59575 0.7476233      0.1549063     1.080943       0.2240101     0.4421644      0.2144440     115.8909 14.30186 67.61924 20.87391 48.27168       25.30343 
1 1 1 9  4  95  o 50.06681 15.55790 0.2163808      0.1189040     0.1921989      0.1725511     0.2382466      0.1640799     47.62096 18.43014 51.25185 18.32045 -3.630894      25.98671 
1 1 1 9  4  96  o 91.33208 12.50124 0.6727366      0.1535189     0.8416731      0.2209547     0.5150716      0.2134565     96.57634 17.19944 70.48179 20.62184 26.09455       26.85295 
1 1 1 9  4  97  o 51.09659 15.80014 0.2440606      0.1228060     0.2259658      0.1783122     0.2603879      0.1693797     47.54727 18.64192 50.35098 18.52674 -2.803715      26.28233 
1 1 1 9  4  98  o 97.75663 13.23667 0.8287809      0.1740796     0.8431757      0.2309979     0.8098609      0.2648261     88.88934 19.36760 79.58311 22.87951 9.306236       29.97626 
1 1 1 9  4  99  o 28.78223 13.10475 0.9343403E-02  0.1145413     0.1428212E-01  0.1642800     0.4671239E-02  0.1597853     32.27723 15.04790 31.64399 14.78211 0.6332321      21.09384 
1 1 1 9  4  100 o 36.74483 14.80690 0.1467741      0.1155577     0.2653988E-01  0.1794664     0.2319287      0.1510334     31.65074 15.05022 41.80805 16.89948 -10.15731      22.62966 
1 1 1 9  4  101 o 28.63729 12.99866 0.5904675E-01  0.1115943     0.5825768E-01  0.1968669     0.5942034E-01  0.1354595     30.68697 14.88675 29.39447 13.69067 1.292500       20.22498 
1 1 1 9  4  102 o 22.65034 10.94423 -0.2688510E-01 0.1037381     -0.5475934E-01 0.1454059     0.2010290E-02  0.1480454     24.08814 11.90780 25.68928 12.56063 -1.601137      17.30795 
1 1 1 9  4  103 f 23.80451 11.37109 0.4508099E-01  0.1048990     0.1030455      0.1377802     -0.3485166E-01 0.1617960     26.09703 12.61036 23.01941 11.55994 3.077625       17.10711 
1 1 1 9  4  104 o 20.42923 9.977786 0.2355897E-01  0.9265769E-01 0.5987139E-01  0.1319912     -0.1172288E-01 0.1301047     21.89399 10.91071 20.34922 10.23880 1.544773       14.96251 
1 1 1 9  4  105 o 17.39072 8.722255 -0.1617931E-02 0.9067395E-01 -0.9143603E-02 0.1296822     0.5580341E-02  0.1268300     17.90793 9.134746 18.09019 9.209859 -0.1822643     12.97170 
1 1 1 9  4  106 o 13.34639 6.827422 -0.9052983E-01 0.7716980E-01 -0.1249867     0.1111756     -0.5849212E-01 0.1072020     14.15958 7.292753 14.77073 7.587595 -0.6111441     10.52406 
1 1 1 9  4  107 o 13.56503 6.974549 0.9724875E-02  0.9524500E-01 0.3292485E-01  0.1268272     -0.2028294E-01 0.1442401     13.81702 7.142096 13.52729 7.016969 0.2897329      10.01236 
1 1 1 9  4  108 o 11.71383 6.067677 -0.4538494E-01 0.9778798E-01 -0.6067360E-01 0.1398536     -0.3076012E-01 0.1367837     11.91126 6.192453 12.01581 6.244783 -0.1045446     8.794532 
1 1 1 9  4  109 o 11.16446 5.805506 0.1146001      0.1274280     0.1897360      0.2001044     0.6334584E-01  0.1652714     11.06926 5.764779 10.91570 5.683601 0.1535597      8.095430 
1 1 1 9  4  110 o 9.418107 4.903949 0.8735359E-02  0.1222890     -0.9272407E-01 0.1768227     0.1017537      0.1693074     9.310133 4.847428 9.546789 4.971682 -0.2366562     6.943716 
1 1 1 9  4  111 o 8.072314 4.202838 0.7419121E-01  0.1332336     -0.1054819     0.1928694     0.2381932      0.1842665     7.925712 4.119003 8.147775 4.237442 -0.2220631     5.909492 
1 1 1 9  4  112 o 6.767767 3.516985 0.1220917      0.1420413     0.1292904      0.2054393     0.1154987      0.1966051     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  113 o ?        ?        0.2054746      0.1506470     0.2820667      0.2189140     0.1365763      0.2076277     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  114 o ?        ?        0.5382565E-01  0.1345460     0.3299696      0.1966827     -0.1890597     0.1844587     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  115 o ?        ?        0.8507171E-02  0.1232092     -0.6358803E-02 0.1787590     0.2196068E-01  0.1700549     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  116 o ?        ?        0.1658070E-01  0.1246897     -0.4881280E-01 0.1793839     0.7771365E-01  0.1734419     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  4  117 o ?        ?        0.1266965      0.1636799     0.1045273      0.2051649     0.1655120      0.2714755     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  0   o 384.4309 23.90755 10.53700       1.257839      0.000000       0.000000      10.53700       1.257839      384.4309 23.90755 384.4309 23.90755 0.000000       0.000000 
1 1 1 9  5  1   o 254.8195 16.39431 4.591393       0.5737893     5.291951       0.8207701     3.921742       0.8024608     271.1071 22.11790 231.5327 25.52413 39.57433       33.77399 
1 1 1 9  5  2   o 213.3804 16.32668 3.224114       0.4773999     3.708254       0.6807430     2.755577       0.6696835     226.7034 22.02437 193.6008 25.68504 33.10254       33.83481 
1 1 1 9  5  3   o 108.4566 16.95192 0.8481183      0.2455612     0.9598707      0.3468353     0.7357960      0.3477183     113.8455 22.85737 99.01494 25.32990 14.83057       34.11836 
1 1 1 9  5  4   o 189.0547 13.32918 2.512594       0.3457313     2.660400       0.4248631     2.222864       0.5948386     193.8088 16.01948 173.6267 25.57727 20.18207       30.17980 
1 1 1 9  5  5   o 296.9138 13.27285 6.167534       0.5441673     6.085894       0.6642972     6.334063       0.9487511     293.4764 16.45914 296.0197 23.40180 -2.543304      28.61027 
1 1 1 9  5  6   o 268.7454 13.21128 5.052279       0.4902574     4.865826       0.5967839     5.439280       0.8597836     262.2776 16.56360 274.4541 22.89625 -12.17654      28.25935 
1 1 1 9  5  7   o 202.5451 16.33144 2.907032       0.4528740     2.994892       0.6360526     2.816695       0.6449615     203.0706 23.09417 196.3545 24.30724 6.716049       33.52883 
1 1 1 9  5  8   o 173.5350 16.42003 2.139218       0.3887812     2.293896       0.5476936     1.982114       0.5519706     177.5099 22.87725 163.9253 25.19170 13.58455       34.02926 
1 1 1 9  5  9   o 261.5009 16.35284 4.834509       0.5875126     4.853769       0.8264214     4.814830       0.8353878     258.9180 23.36721 257.6774 23.74586 1.240570       33.31504 
1 1 1 9  5  10  o 242.2601 16.32826 4.151511       0.5430245     4.455107       0.7671450     3.846634       0.7687626     248.3403 22.61936 229.6843 24.62342 18.65605       33.43573 
1 1 1 9  5  11  o 183.4541 16.35048 2.388248       0.4098450     2.576515       0.5766444     2.196059       0.5826185     188.3699 22.62209 172.7072 25.17067 15.66272       33.84260 
1 1 1 9  5  12  o 160.4369 16.43960 1.831221       0.3590520     1.705041       0.5027274     1.962601       0.5129802     151.9447 24.81819 163.8195 23.33734 -11.87485      34.06720 
1 1 1 9  5  13  o 130.8389 16.68032 1.225033       0.2945002     1.311934       0.4123465     1.134552       0.4207530     133.4328 23.22368 123.1184 25.58484 10.31435       34.55320 
1 1 1 9  5  14  o 157.3437 16.51722 1.762794       0.3535050     1.882308       0.4963360     1.639754       0.5036065     160.4472 23.06615 148.6781 25.44532 11.76909       34.34402 
1 1 1 9  5  15  o 298.3725 16.47706 6.292514       0.6762233     6.127336       0.9489870     6.462900       0.9638343     290.7744 23.84540 298.8459 23.54778 -8.071411      33.51270 
1 1 1 9  5  16  o 167.1944 16.68640 1.989649       0.3800861     0.000000       0.000000      1.989649       0.3800861     ?        ?        167.1944 16.68640 0.000000       16.68640 
1 1 1 9  5  17  o 483.9885 17.14597 16.54053       1.145869      0.000000       0.000000      16.54053       1.145869      ?        ?        483.9885 17.14597 0.000000       17.14597 
1 1 1 9  5  18  o 254.3591 16.34838 4.577478       0.5711542     4.195834       0.8050070     4.964338       0.8104889     239.8189 24.66103 262.1169 22.61447 -22.29802      33.46013 
1 1 1 9  5  19  o 283.5068 13.19893 5.625098       0.5167019     5.607858       0.6348405     5.658931       0.8893419     281.5971 16.39768 279.5876 23.24710 2.009491       28.44840 
1 1 1 9  5  20  o 241.8258 13.25686 4.105377       0.4409841     4.250512       0.5422625     3.821952       0.7577794     245.1218 16.11073 228.8678 24.35249 16.25404       29.19930 
1 1 1 9  5  21  o 261.2937 11.47300 4.763365       0.4139462     4.758042       0.5842208     4.768731       0.5866030     259.2583 16.40405 259.5307 16.45394 -0.2724304     23.23413 
1 1 1 9  5  22  o 221.0420 11.51882 3.418536       0.3503604     3.499283       0.4952071     3.337607       0.4957622     222.2090 16.25213 216.8376 16.68586 5.371475       23.29270 
1 1 1 9  5  23  o 255.9687 11.49098 4.572543       0.4061456     4.542390       0.5740406     4.602766       0.5747133     253.1845 16.51014 254.9055 16.41533 -1.721024      23.28192 
1 1 1 9  5  24  o 95.69514 12.19454 0.6500033      0.1574743     0.5961363      0.2211104     0.7054499      0.2243289     90.12494 18.39019 98.57096 17.10164 -8.446022      25.11305 
1 1 1 9  5  25  o 239.1604 11.53377 3.993676       0.3808890     3.805640       0.5357320     4.185877       0.5416333     231.4203 16.88163 243.0141 16.23462 -11.59378      23.42120 
1 1 1 9  5  26  o 240.4425 11.57203 4.037858       0.3842012     3.784574       0.5394292     4.298627       0.5473424     230.6498 17.05827 246.2421 16.18773 -15.59222      23.51653 
1 1 1 9  5  27  o 179.2118 11.66363 2.253061       0.2870558     2.162168       0.4036941     2.346023       0.4082609     173.9958 17.02053 181.4911 16.47024 -7.495300      23.68475 
1 1 1 9  5  28  f 318.2869 11.68699 7.079652       0.5136405     6.985711       0.7223177     7.175747       0.7305472     313.7785 16.73161 318.0488 16.69309 -4.270264      23.63485 
1 1 1 9  5  29  o 400.2130 11.88591 11.20081       0.6568431     10.62204       0.9177647     11.80858       0.9404849     387.0694 17.17135 408.4199 16.67658 -21.35052      23.93666 
1 1 1 9  5  30  o 168.4379 10.47662 1.986187       0.2424611     2.052366       0.3826911     1.941808       0.3133842     169.5194 16.56051 165.6941 13.82341 3.825302       21.57167 
1 1 1 9  5  31  o 277.2332 10.37630 5.360360       0.3972152     5.045599       0.6239029     5.574910       0.5150993     266.1965 17.06356 281.8384 13.23588 -15.64188      21.59522 
1 1 1 9  5  32  o 206.3325 9.396839 2.964328       0.2677240     2.964358       0.3780660     2.964299       0.3791743     205.0184 13.42898 205.0031 13.46991 0.1535034E-01  19.02041 
1 1 1 9  5  33  o 116.8508 9.797469 0.9581479      0.1566233     0.9229041      0.2208042     0.9938388      0.2222000     113.6089 14.39840 118.0897 13.89243 -4.480789      20.00784 
1 1 1 9  5  34  f 104.1919 9.888559 0.7635284      0.1405628     0.8053175      0.1975577     0.7206838      0.2000371     106.1430 13.80604 100.0208 14.94187 6.122192       20.34370 
1 1 1 9  5  35  f 164.8925 9.475870 1.900815       0.2148467     1.993393       0.3034956     1.807817       0.3041839     167.9138 13.19596 159.6393 13.93915 8.274460       19.19461 
1 1 1 9  5  36  f 170.6120 9.495159 2.035197       0.2228058     2.092312       0.3147049     1.977797       0.3154866     171.9584 13.35870 167.0210 13.80324 4.937393       19.20897 
1 1 1 9  5  37  o 228.3588 9.440790 3.635711       0.2976899     3.637691       0.4208799     3.633729       0.4211145     226.8968 13.49443 226.7667 13.51005 0.1301270      19.09506 
1 1 1 9  5  38  o 146.4077 10.67708 1.506565       0.2143631     1.386408       0.2750281     1.692541       0.3421603     139.3655 14.50420 153.4711 16.39991 -14.10568      21.89358 
1 1 1 9  5  39  o 72.14893 12.15137 0.3749773      0.1167559     0.3202992      0.1484588     0.4636265      0.1890326     65.83753 16.39326 79.05626 17.75120 -13.21873      24.16286 
1 1 1 9  5  40  o 115.6109 10.79101 0.9431358      0.1702743     0.9797075      0.2188336     0.8870179      0.2710766     117.0714 13.80239 109.8330 18.53364 7.238358       23.10848 
1 1 1 9  5  41  o 99.68293 9.988434 0.7008514      0.1356355     0.6613490      0.1917879     0.7403781      0.1918471     95.53550 15.03535 101.4731 14.07065 -5.937607      20.59235 
1 1 1 9  5  42  o 206.0631 9.478186 2.963361       0.2696891     2.913911       0.3808733     3.013085       0.3819250     202.7340 13.68567 206.2471 13.48496 -3.513123      19.21306 
1 1 1 9  5  43  o 95.30811 10.35518 0.6425208      0.1340852     0.6678295      0.1895235     0.6171578      0.1897270     96.05878 14.76086 92.06316 15.47360 3.995628       21.38494 
1 1 1 9  5  44  o 167.8262 10.61769 1.979140       0.2447841     2.288704       0.3896856     1.777380       0.3145979     178.6411 15.96598 157.7661 14.60697 20.87498       21.63969 
1 1 1 9  5  45  o 302.4259 11.75073 6.423158       0.4907065     6.175170       0.6964061     6.667696       0.6915470     293.2157 17.27669 305.2556 16.46758 -12.03989      23.86766 
1 1 1 9  5  46  o 107.3887 11.43768 0.8179148      0.1669932     0.8789639      0.2196036     0.7342107      0.2571422     110.4364 14.77095 99.27512 19.45404 11.16131       24.42623 
1 1 1 9  5  47  o 210.1549 10.46803 3.091558       0.3037684     3.007670       0.3948953     3.213140       0.4754086     205.7444 13.98303 211.5831 16.40041 -5.838669      21.55223 
1 1 1 9  5  48  o 91.51987 10.90314 0.5949581      0.1350739     0.7057200      0.1914895     0.4852682      0.1905606     98.83408 14.45903 80.80586 17.57870 18.02821       22.76124 
1 1 1 9  5  49  o 194.4355 10.68693 2.656263       0.2858227     2.608257       0.3676805     2.729576       0.4543740     191.4815 14.00324 194.5340 17.08853 -3.052536      22.09318 
1 1 1 9  5  50  o 60.72073 14.50441 0.2716698      0.1199429     0.3877221      0.1637357     0.1372780      0.1761988     72.25537 16.73929 49.78826 18.78234 22.46711       25.15910 
1 1 1 9  5  51  o 143.0123 10.77714 1.441509       0.2112572     1.418168       0.3292122     1.457850       0.2754505     139.5795 17.46333 142.7849 14.15749 -3.205414      22.48116 
1 1 1 9  5  52  o 153.6100 10.73463 1.661902       0.2262589     1.803991       0.3537288     1.563514       0.2943491     158.0472 16.44964 147.7265 14.62201 10.32076       22.00895 
1 1 1 9  5  53  o 224.4990 9.686480 3.523809       0.3002745     3.503636       0.4256026     3.543803       0.4237082     221.9624 13.95738 223.3035 13.80925 -1.341034      19.63425 
1 1 1 9  5  54  o 99.42996 11.10691 0.7021859      0.1498870     0.8814457      0.2129379     0.5261415      0.2110195     110.6288 14.27231 83.80193 18.70951 26.82688       23.53178 
1 1 1 9  5  55  o 145.5896 11.30355 1.497586       0.2254578     1.645259       0.3650152     1.406494       0.2866816     150.1519 17.96178 139.8233 15.08757 10.32860       23.45763 
1 1 1 9  5  56  o 195.1080 10.94475 2.679834       0.2936717     2.942756       0.4719048     2.513655       0.3751698     201.7662 17.09908 187.5368 14.60296 14.22937       22.48610 
1 1 1 9  5  57  o 79.08652 16.06624 0.4621584      0.1694651     0.7017337      0.2469736     0.2490002      0.2329595     96.87785 19.14121 61.35810 21.84071 35.51974       29.04139 
1 1 1 9  5  58  f 79.84574 13.65765 0.4634114      0.1451675     0.5006265      0.1863807     0.4060163      0.2314616     82.10848 16.99879 73.43026 21.47095 8.678223       27.38540 
1 1 1 9  5  59  o 103.7789 12.26292 0.7694418      0.1723319     0.8846753      0.2216368     0.5932612      0.2740512     110.5506 14.89862 87.92073 22.48473 22.62991       26.97280 
1 1 1 9  5  60  o 78.21597 13.44545 0.4448488      0.1399797     0.4701226      0.1794708     0.4055935      0.2236700     79.49126 16.87261 73.27467 21.01525 6.216583       26.95043 
1 1 1 9  5  61  o 160.2172 11.25029 1.814526       0.2473139     1.465884       0.3153313     2.371742       0.3986469     142.0344 16.37826 181.1925 16.10124 -39.15814      22.96731 
1 1 1 9  5  62  f 26.30289 10.53158 0.2420695E-01  0.5805351E-01 0.1894370E-01  0.6527262E-01 0.4413077E-01  0.1269960     26.95790 11.02993 37.81837 15.41919 -10.86047      18.95813 
1 1 1 9  5  63  o 73.91245 12.48418 0.3965189      0.1228750     0.3958879      0.1500192     0.3978049      0.2141782     73.07192 15.35604 72.37888 20.49931 0.6930389      25.61307 
1 1 1 9  5  64  o 38.74483 13.93177 0.9198400E-01  0.9501746E-01 0.1896804      0.1391345     0.6599174E-02  0.1300727     51.80352 16.91425 35.42963 15.10273 16.37390       22.67563 
1 1 1 9  5  65  o 109.1575 12.01833 0.8533873      0.1781476     0.8323750      0.2858003     0.8667392      0.2278219     104.4037 20.55646 108.7172 15.62510 -4.313461      25.82076 
1 1 1 9  5  66  f 44.27065 12.61079 0.1431272      0.8081480E-01 0.1738983      0.1267834     0.1220682      0.1048844     49.51981 16.14496 42.75759 14.69615 6.762222       21.83201 
1 1 1 9  5  67  o 66.39384 12.44530 0.3235320      0.1099042     0.1697670      0.1747219     0.4242059      0.1413765     51.53909 18.83885 75.75575 14.03199 -24.21666      23.49040 
1 1 1 9  5  68  o 144.3557 10.05375 1.478422       0.1991500     1.587211       0.2838921     1.373016       0.2794420     147.7417 14.08656 136.8490 15.03596 10.89268       20.60367 
1 1 1 9  5  69  o 78.60511 11.62520 0.4491938      0.1223735     0.5053579      0.1741836     0.3944531      0.1719623     81.82543 15.98962 71.59845 17.53353 10.22698       23.72957 
1 1 1 9  5  70  o 48.18990 11.74726 0.1726020      0.7745916E-01 0.1583829      0.1133289     0.1850683      0.1061143     46.88021 15.26329 49.78968 14.53189 -2.909462      21.07472 
1 1 1 9  5  71  o 96.59542 10.31229 0.6709995      0.1354207     0.7621010      0.2009111     0.5951504      0.1833226     100.9916 14.85071 88.72664 15.52889 12.26492       21.48697 
1 1 1 9  5  72  o 79.39496 12.89156 0.4678682      0.1364828     0.5715088      0.1859418     0.3468049      0.2009641     86.35526 16.18851 65.95955 20.18166 20.39571       25.87213 
1 1 1 9  5  73  o 52.43671 12.14467 0.2067300      0.8620559E-01 0.6514177E-01  0.1251566     0.3345363      0.1189094     38.43004 15.43647 66.56611 13.40048 -28.13607      20.44156 
1 1 1 9  5  74  o 84.81774 12.06199 0.5317233      0.1372880     0.5349849      0.1902762     0.5281814      0.1982801     82.43316 17.26943 81.42904 18.10331 1.004120       25.01926 
1 1 1 9  5  75  o 78.73069 12.27508 0.4615727      0.1290944     0.5418465      0.1793158     0.3752010      0.1860019     83.40270 16.15399 67.88000 19.06088 15.52270       24.98537 
1 1 1 9  5  76  o 115.0585 10.27939 0.9594847      0.1615946     0.9691939      0.2414627     0.9516090      0.2174738     112.0072 16.07289 112.1364 14.37604 -0.1292038     21.56405 
1 1 1 9  5  77  o 48.32699 13.94147 0.1792044      0.9817759E-01 0.1785655      0.1467776     0.1797217      0.1320720     49.27411 17.35795 48.90545 16.49507 0.3686562      23.94547 
1 1 1 9  5  78  o 108.4642 10.92281 0.8611952      0.1613649     0.7699940      0.2485538     0.9276394      0.2121534     97.05859 19.22584 110.5167 14.23299 -13.45811      23.92093 
1 1 1 9  5  79  o 44.25099 14.95878 0.1440266      0.1086186     0.7390911E-01  0.1415221     0.2445368      0.1694400     40.12844 16.30957 55.56527 18.68372 -15.43682      24.80087 
1 1 1 9  5  80  o 84.15687 12.59775 0.5326075      0.1418912     0.4518270      0.1828859     0.6547601      0.2248945     74.38246 18.00056 89.37411 18.81825 -14.99165      26.04125 
1 1 1 9  5  81  o 93.44550 10.78807 0.6415693      0.1366424     0.7514850      0.1968528     0.5393647      0.1898220     98.70908 14.90709 81.85126 17.33466 16.85782       22.86289 
1 1 1 9  5  82  o 84.27235 11.66556 0.5283135      0.1321060     0.5311851      0.1906748     0.5256627      0.1832016     81.08027 17.54078 81.04979 16.91629 0.3047943E-01  24.36883 
1 1 1 9  5  83  f 54.76280 13.40563 0.2318208      0.1005525     0.2222789      0.1460626     0.2404167      0.1386334     53.17107 17.32876 54.98343 16.75001 -1.812351      24.10081 
1 1 1 9  5  84  o 101.3039 10.68622 0.7517406      0.1472262     0.8283941      0.2127743     0.6813301      0.2039260     103.4218 15.36653 92.88487 16.50439 10.53690       22.55051 
1 1 1 9  5  85  o 126.7454 11.01201 1.177765       0.1908090     1.320140       0.2560358     0.9999171      0.2861594     131.6972 14.30974 110.2533 19.51048 21.44390       24.19561 
1 1 1 9  5  86  o 72.91462 15.89036 0.4226844      0.1554682     0.4561450      0.2412566     0.3989215      0.2033114     71.97644 22.12747 68.46065 20.15306 3.515793       29.92943 
1 1 1 9  5  87  o 100.9643 13.15500 0.7732513      0.1790426     0.9478707      0.3374650     0.7048427      0.2112216     101.7371 24.34715 93.68428 16.95208 8.052841       29.66744 
1 1 1 9  5  88  o 83.08958 12.68065 0.5258937      0.1408782     0.5079313      0.2188614     0.5386014      0.1840850     76.27888 20.38791 81.28098 16.95064 -5.002098      26.51398 
1 1 1 9  5  89  o 59.30888 14.50769 0.2819061      0.1178311     0.2786299      0.1620162     0.2855848      0.1716801     57.42329 18.20687 57.90942 18.78254 -0.4861336     26.15863 
1 1 1 9  5  90  o 30.77180 12.95372 0.2659864E-01  0.9370672E-01 -0.1170175     0.1359335     0.1566482      0.1293538     28.10704 13.28634 45.16307 16.25362 -17.05603      20.99302 
1 1 1 9  5  91  o 55.71959 14.79662 0.2575603      0.1157583     0.2796571      0.1692588     0.2381425      0.1586678     55.98529 18.67397 52.42828 18.07242 3.557014       25.98710 
1 1 1 9  5  92  o 57.15169 15.10120 0.2777365      0.1209633     0.4265967      0.1764238     0.1456736      0.1661721     68.26238 18.33014 44.39740 17.80331 23.86498       25.55292 
1 1 1 9  5  93  o 140.5237 10.26602 1.506110       0.1978216     1.898364       0.2843933     1.138406       0.2753497     152.4936 13.65051 111.1350 18.60036 41.35862       23.07184 
1 1 1 9  5  94  o 136.1237 10.40326 1.437980       0.1940618     1.704017       0.2782324     1.185952       0.2708079     141.3178 14.46222 112.2176 18.09203 29.10020       23.16198 
1 1 1 9  5  95  o 92.52416 13.48074 0.7368159      0.1671682     0.7848161      0.2236576     0.6760582      0.2516299     87.24618 19.09527 73.64879 22.59095 13.59739       29.58007 
1 1 1 9  5  96  f 92.48573 14.60740 0.7919417      0.1803520     1.134624       0.2560785     0.4546772      0.2540461     103.1819 18.66033 54.25385 21.92205 48.92807       28.78861 
1 1 1 9  5  97  o 54.25434 16.05436 0.3232851      0.1287280     0.3723107      0.1992003     0.2881314      0.1686804     49.68361 19.63226 46.39244 18.14738 3.291176       26.73486 
1 1 1 9  5  98  o 61.12461 15.91388 0.4324090      0.1356317     0.4574284      0.2111175     0.4148250      0.1769885     48.74590 19.87823 50.74461 18.88752 -1.998714      27.42047 
1 1 1 9  5  99  o 31.32399 13.54534 0.1161806      0.1074838     0.1833582      0.1678814     0.6951658E-01  0.1399205     33.59413 15.50548 28.98864 13.63442 4.605486       20.64745 
1 1 1 9  5  100 o 25.94291 12.04586 0.6262171E-01  0.1035784     0.4071291E-01  0.1377320     0.9114138E-01  0.1571441     25.71548 12.46967 27.47778 13.32312 -1.762293      18.24824 
1 1 1 9  5  101 o 21.30195 10.33052 0.1129671E-01  0.9459265E-01 0.5665298E-01  0.1267516     -0.4571735E-01 0.1421103     23.49024 11.51424 21.38295 10.75113 2.107290       15.75324 
1 1 1 9  5  102 o 20.25749 9.868663 0.4520294E-01  0.8901651E-01 0.3856779E-01  0.1303472     0.5100198E-01  0.1218579     20.33771 10.23495 20.56372 10.28400 -0.2260132     14.50912 
1 1 1 9  5  103 o 18.01899 8.989063 0.5672117E-01  0.9059102E-01 0.3449943E-01  0.1335742     0.7564817E-01  0.1232748     17.55482 8.980445 18.15977 9.228941 -0.6049480     12.87718 
1 1 1 9  5  104 o 15.37884 7.819327 0.4273108E-01  0.8923988E-01 0.8330953E-01  0.1308185     0.7412331E-02  0.1220462     15.66587 8.060763 14.96074 7.702265 0.7051239      11.14903 
1 1 1 9  5  105 o 14.14628 7.274190 0.1204872      0.1040565     0.2130623      0.1420090     0.1315242E-01  0.1529111     14.23143 7.369918 13.15172 6.830783 1.079714       10.04865 
1 1 1 9  5  106 o 12.10471 6.270513 0.7459188E-01  0.1048356     0.2075606      0.1573536     -0.3153944E-01 0.1405801     12.32056 6.407335 11.56758 6.016329 0.7529793      8.789207 
1 1 1 9  5  107 o 10.73306 5.584296 0.1254085      0.1288131     -0.5361549E-02 0.1946682     0.2272651      0.1718049     10.37121 5.401263 10.76749 5.606978 -0.3962803     7.785361 
1 1 1 9  5  108 o 9.179887 4.780663 0.1066528      0.1314594     0.3702249      0.1975418     -0.1028544     0.1761200     9.312114 4.847138 8.887095 4.626469 0.4250183      6.700669 
1 1 1 9  5  109 o 7.639694 3.978260 0.3309268E-01  0.1139409     -0.2365043     0.1720870     0.2435411      0.1520419     7.452994 3.873091 7.809007 4.063236 -0.3560123     5.613441 
1 1 1 9  5  110 o 6.310267 3.283063 -0.8210664E-01 0.1010877     0.1840163      0.1590510     -0.2624585     0.1309349     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  111 o ?        ?        0.1984262      0.1434393     0.3221271      0.2176924     0.1035127      0.1906870     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  112 o ?        ?        0.1516762      0.1347313     0.1462623      0.2079543     0.1555928      0.1768742     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  113 o ?        ?        0.1252576      0.1318771     0.6137334E-01  0.2039374     0.1711708      0.1728894     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  114 o ?        ?        0.7085752E-01  0.1235204     0.1655454E-02  0.1913729     0.1202735      0.1617166     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  5  115 o ?        ?        0.1242843      0.1545540     0.3978168E-01  0.2010944     0.2462337      0.2415766     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  0   o 338.7470 24.25670 8.234895       1.121239      8.234895       1.121239      0.000000       0.000000      338.7470 24.25670 338.7470 24.25670 0.000000       0.000000 
1 1 1 9  6  1   o 161.3896 24.39497 1.923358       0.5266798     1.923358       0.5266798     0.000000       0.000000      161.3896 24.39497 ?        ?        0.000000       24.39497 
1 1 1 9  6  2   o 325.4290 23.76544 7.693632       1.060539      7.693632       1.060539      0.000000       0.000000      325.4290 23.76544 ?        ?        0.000000       23.76544 
1 1 1 9  6  3   o 164.7090 24.02392 1.998490       0.5303040     1.998490       0.5303040     0.000000       0.000000      164.7090 24.02392 ?        ?        0.000000       24.02392 
1 1 1 9  6  4   o 87.14280 23.43153 0.5674558      0.2880579     0.5674558      0.2880579     0.000000       0.000000      87.14280 23.43153 ?        ?        0.000000       23.43153 
1 1 1 9  6  5   o 203.6207 16.42789 2.945737       0.4579618     2.945737       0.4579618     0.000000       0.000000      203.6207 16.42789 ?        ?        0.000000       16.42789 
1 1 1 9  6  6   o 193.0700 16.39081 2.650082       0.4328419     2.650082       0.4328419     0.000000       0.000000      193.0700 16.39081 ?        ?        0.000000       16.39081 
1 1 1 9  6  7   o 210.9177 13.28197 3.129607       0.3848484     3.371144       0.4721772     2.651625       0.6642308     218.1173 15.78416 189.0472 26.14532 29.07013       30.54043 
1 1 1 9  6  8   o 212.4696 13.24972 3.175640       0.3867871     2.867348       0.4692404     3.829085       0.6831554     200.6008 17.10383 229.9415 21.77557 -29.34070      27.68965 
1 1 1 9  6  9   o 154.2492 13.46209 1.680575       0.2838568     1.917363       0.3477640     1.207911       0.4913388     164.2534 15.51700 125.5384 28.93753 38.71507       32.83532 
1 1 1 9  6  10  o 312.6321 13.41092 6.854121       0.5789354     6.229093       0.6997591     8.210063       1.030669      296.1102 17.18818 336.9666 22.27674 -40.85638      28.13693 
1 1 1 9  6  11  o 199.4713 13.36300 2.801965       0.3659353     3.211315       0.4486099     1.987982       0.6326005     212.9577 15.35897 161.6595 29.42335 51.29820       33.19084 
1 1 1 9  6  12  o 302.9556 13.38573 6.436988       0.5599626     5.999273       0.6786865     7.370293       0.9910258     290.6406 16.98513 318.8895 22.65384 -28.24884      28.31415 
1 1 1 9  6  13  o 284.0601 13.34211 5.659081       0.5233267     5.827792       0.6401362     5.319096       0.9087197     286.7694 16.23257 269.4097 24.70258 17.35971       29.55865 
1 1 1 9  6  14  o 355.4295 13.51481 8.864811       0.6632869     8.857558       0.8099093     8.879584       1.155865      353.8494 16.57601 348.9235 24.13883 4.925842       29.28220 
1 1 1 9  6  15  o 263.4041 13.39396 4.879845       0.4855525     5.230591       0.5959007     4.186910       0.8375748     271.6988 15.95356 237.9962 25.90520 33.70259       30.42360 
1 1 1 9  6  16  o 134.8206 13.60509 1.288376       0.2498132     1.355270       0.3041084     1.149569       0.4380652     137.5487 16.33063 123.0566 26.55943 14.49203       31.17840 
1 1 1 9  6  17  o 172.2436 11.58230 2.082703       0.2738698     1.964770       0.3834364     2.205525       0.3913042     165.6967 16.99952 175.8878 16.29684 -10.19104      23.54932 
1 1 1 9  6  18  o 200.6462 11.52377 2.822946       0.3179342     2.801694       0.4474357     2.844619       0.4518504     198.3071 16.48962 199.8160 16.52501 -1.508865      23.34488 
1 1 1 9  6  19  o 123.6720 11.79674 1.079143       0.1990093     1.049049       0.2792702     1.110192       0.2836645     120.4606 17.28494 124.0695 17.00524 -3.608833      24.24762 
1 1 1 9  6  20  o 157.1545 11.65298 1.736377       0.2510712     1.520204       0.3516182     1.961247       0.3586219     145.1817 17.91997 165.8607 15.85172 -20.67900      23.92493 
1 1 1 9  6  21  o 150.2986 11.63851 1.589130       0.2396577     1.835015       0.3392931     1.344302       0.3385623     160.4788 15.50469 136.1902 18.48073 24.28853       24.12329 
1 1 1 9  6  22  o 303.3615 11.57726 6.437908       0.4849581     6.262895       0.6825147     6.616369       0.6892028     296.6767 16.72885 305.1223 16.41859 -8.445587      23.43980 
1 1 1 9  6  23  o 123.7830 11.85034 1.082112       0.2000735     0.8993328      0.2804053     1.271670       0.2855584     110.7419 19.02275 133.1880 15.83763 -22.44617      24.75269 
1 1 1 9  6  24  o 76.29141 12.79328 0.4190811      0.1299995     0.4172738      0.1817858     0.4209727      0.1859801     75.08988 17.80308 75.38290 18.09641 -0.2930145     25.38562 
1 1 1 9  6  25  o 212.9068 11.59467 3.182321       0.3395831     3.116892       0.4785341     3.248693       0.4819705     208.8434 16.73468 213.3418 16.48887 -4.498413      23.49324 
1 1 1 9  6  26  o 164.8454 11.66203 1.912278       0.2637404     1.879354       0.3712315     1.945832       0.3747641     161.7663 16.86762 164.6861 16.71170 -2.919769      23.74442 
1 1 1 9  6  27  f 186.1910 11.63755 2.437514       0.2976968     2.314500       0.4186408     2.563349       0.4234135     179.5462 17.09231 189.3234 16.35720 -9.777191      23.65809 
1 1 1 9  6  28  o 193.9853 11.62787 2.645869       0.3100269     2.515153       0.4367099     2.778682       0.4401993     187.1669 17.08601 197.1191 16.31948 -9.952209      23.62746 
1 1 1 9  6  29  o 171.4421 11.69318 2.069581       0.2751619     2.137058       0.3887905     2.001862       0.3894859     172.5922 16.51550 166.7485 17.16080 5.843689       23.81711 
1 1 1 9  6  30  o 184.8548 11.68289 2.405092       0.2966737     2.274299       0.4176459     2.538311       0.4215004     177.7581 17.23175 188.2312 16.38021 -10.47316      23.77488 
1 1 1 9  6  31  o 72.57736 13.49849 0.3825841      0.1302982     0.3882374      0.1840077     0.3768985      0.1845324     72.22266 18.39943 71.16948 18.57845 1.053185       26.14762 
1 1 1 9  6  32  o 76.08638 13.35612 0.4192612      0.1352031     0.4577592      0.1909089     0.3805226      0.1915046     78.47373 18.00105 71.47151 19.05639 7.002220       26.21419 
1 1 1 9  6  33  o 158.8794 11.95462 1.781852       0.2603434     1.577900       0.3644828     1.994297       0.3719944     147.2758 18.31870 166.5959 16.38276 -19.32013      24.57579 
1 1 1 9  6  34  o 170.0522 11.86199 2.039562       0.2767892     2.096542       0.3889107     1.981075       0.3940172     170.6872 16.71555 165.5578 17.50094 5.129440       24.20109 
1 1 1 9  6  35  o 207.0800 11.80368 3.019972       0.3361174     2.833338       0.4712062     3.213306       0.4795884     198.2961 17.38462 211.6663 16.54031 -13.37019      23.99598 
1 1 1 9  6  36  o 96.70127 12.83911 0.6694039      0.1671989     0.6834911      0.2346778     0.6548818      0.2382730     96.09792 18.35497 93.80315 19.04613 2.294769       26.45109 
1 1 1 9  6  37  o 123.5471 10.93390 1.077340       0.1846026     1.231505       0.2954841     0.9786485      0.2364190     130.3435 16.80918 116.5623 15.03959 13.78114       22.55522 
1 1 1 9  6  38  o 195.1835 10.51792 2.673803       0.2824263     2.492162       0.4452180     2.796116       0.3653441     185.7290 17.56892 198.6180 13.39961 -12.88898      22.09562 
1 1 1 9  6  39  o 328.7121 10.55592 7.564078       0.4791259     7.293229       0.7536118     7.747830       0.6207290     318.7645 17.18491 331.1956 13.57311 -12.43112      21.89864 
1 1 1 9  6  40  o 125.6662 12.27425 1.120943       0.2102668     1.225057       0.2454718     0.8340459      0.4074856     130.9751 13.77964 103.1064 27.92971 27.86867       31.14398 
1 1 1 9  6  41  o 110.5703 12.15330 0.8696501      0.1824922     0.8969019      0.2132590     0.7951118      0.3526953     111.7472 14.13701 101.3875 25.27995 10.35973       28.96431 
1 1 1 9  6  42  o 50.85040 14.34274 0.1882946      0.1050724     0.1919614      0.1422442     0.1838911      0.1558798     52.46428 17.10087 52.36766 17.91897 0.9662247E-01  24.76952 
1 1 1 9  6  43  o 208.7335 10.42738 3.050563       0.3005420     3.147016       0.4700380     2.983859       0.3908855     209.3039 16.39470 204.9012 13.89770 4.402695       21.49261 
1 1 1 9  6  44  o 113.5160 11.27857 0.9129173      0.1744461     0.8932871      0.2686168     0.9272348      0.2294055     110.0714 18.31716 113.3232 15.03137 -3.251740      23.69515 
1 1 1 9  6  45  o 249.9808 9.594535 4.367054       0.3311834     4.376242       0.4676428     4.357809       0.4690885     248.3500 13.68966 247.7886 13.76415 0.5614014      19.41285 
1 1 1 9  6  46  o 163.6701 9.815943 1.879742       0.2208152     1.768391       0.3103915     1.993844       0.3142030     157.2519 14.45661 167.3262 13.71972 -10.07430      19.93049 
1 1 1 9  6  47  o 237.4991 9.602382 3.942763       0.3149045     3.849888       0.4444478     4.036390       0.4462422     232.7468 13.89262 238.4723 13.60814 -5.725449      19.44702 
1 1 1 9  6  48  o 158.2194 9.879696 1.757788       0.2147649     1.710929       0.3035741     1.804739       0.3038730     154.6517 14.38057 159.0156 13.98139 -4.363876      20.05692 
1 1 1 9  6  49  o 106.7586 10.35578 0.8055784      0.1507394     0.7437470      0.2131867     0.8673995      0.2131687     100.9947 15.80531 109.6764 14.42575 -8.681702      21.39883 
1 1 1 9  6  50  o 96.45604 11.89039 0.6641139      0.1550138     0.7019742      0.2548180     0.6418721      0.1953095     96.71405 19.74892 93.71619 15.64434 2.997856       25.19455 
1 1 1 9  6  51  o 125.3101 11.20585 1.111337       0.1918498     1.028430       0.3124596     1.161506       0.2430611     117.4609 19.98018 127.2558 14.06773 -9.794952      24.43581 
1 1 1 9  6  52  o 143.1663 10.08201 1.442064       0.1980356     1.462624       0.2814786     1.421912       0.2786718     142.7990 14.47523 140.7527 14.54824 2.046295       20.52275 
1 1 1 9  6  53  o 177.0289 9.907641 2.200404       0.2412157     2.279208       0.3416172     2.122047       0.3406459     178.7410 13.95185 172.2265 14.45780 6.514511       20.09184 
1 1 1 9  6  54  o 244.9075 9.729232 4.197701       0.3290173     4.260032       0.4664761     4.135995       0.4641341     244.6660 13.86459 240.9919 14.00815 3.674072       19.70926 
1 1 1 9  6  55  o 104.4995 10.83486 0.7747641      0.1540698     0.8305120      0.2180361     0.7191676      0.2177396     106.9162 15.19655 98.91212 16.52528 8.004066       22.45039 
1 1 1 9  6  56  o 133.3278 10.42945 1.254742       0.1904786     1.238112       0.2692845     1.271394       0.2694705     130.8627 15.18467 132.7138 14.96606 -1.851059      21.32034 
1 1 1 9  6  57  f 150.9523 10.17896 1.605590       0.2109296     1.702996       0.2983346     1.508231       0.2982645     154.0587 14.18353 144.5150 15.17337 9.543701       20.77026 
1 1 1 9  6  58  o 154.5154 11.38381 1.691507       0.2411725     1.762295       0.3071627     1.577721       0.3894336     156.5738 14.36757 145.4841 19.90797 11.08968       24.55105 
1 1 1 9  6  59  o 97.78904 12.94408 0.6896158      0.1704873     0.8288786      0.2142653     0.4493007      0.2814655     106.6514 14.96109 76.61574 23.95796 30.03564       28.24567 
1 1 1 9  6  60  o 132.0934 10.62058 1.236342       0.1920794     1.324721       0.2709266     1.147024       0.2723615     135.2102 14.75054 125.1318 16.13922 10.07843       21.86442 
1 1 1 9  6  61  o 122.6550 11.93289 1.075853       0.1995422     1.217023       0.2568081     0.8607655      0.3169904     129.4511 14.62333 105.0835 22.52308 24.36756       26.85388 
1 1 1 9  6  62  o 89.85591 15.41691 0.5984154      0.1843979     0.6165465      0.2659181     0.5816213      0.2559249     88.65303 21.86053 86.19778 21.55763 2.455254       30.70202 
1 1 1 9  6  63  o 83.65742 15.15598 0.5209036      0.1686296     0.5463707      0.2456151     0.4981956      0.2319295     83.36350 21.26840 79.75240 20.83262 3.611107       29.77151 
1 1 1 9  6  64  o 81.40186 17.41142 0.5061381      0.1897860     0.5296447      0.2500638     0.4742041      0.2914633     81.60815 21.78389 76.98064 24.42144 4.627502       32.72529 
1 1 1 9  6  65  o 86.25072 15.04553 0.5563557      0.1726709     0.5429276      0.2084458     0.5857198      0.3082437     83.67524 18.52969 84.26129 24.81750 -0.5860519     30.97189 
1 1 1 9  6  66  o 139.4483 12.13300 1.406491       0.2312969     1.325466       0.2955118     1.534627       0.3716210     132.8792 16.45781 140.8314 19.64500 -7.952148      25.62783 
1 1 1 9  6  67  o 50.36785 15.91572 0.1888459      0.1238867     0.9414001E-01  0.1584539     0.3377785      0.1987053     43.88492 17.45608 65.39602 20.07772 -21.51110      26.60506 
1 1 1 9  6  68  o 85.04533 14.70961 0.5462949      0.1664873     0.5088677      0.2115995     0.6071173      0.2697448     79.70787 19.40702 85.40574 22.54310 -5.697868      29.74599 
1 1 1 9  6  69  o 66.23373 17.48979 0.3468815      0.1623227     0.1521606      0.2153143     0.6032649      0.2470651     51.35156 20.37294 85.62702 21.04533 -34.27546      29.29099 
1 1 1 9  6  70  o 50.16270 16.82764 0.1876197      0.1374439     0.2179775      0.1812340     0.1465242      0.2108634     54.24783 19.26887 50.49650 20.12094 3.751328       27.85932 
1 1 1 9  6  71  o 82.12860 14.66007 0.5159120      0.1601536     0.5656263      0.2382372     0.4749213      0.2163275     82.30204 20.91884 75.68835 20.28628 6.613693       29.13985 
1 1 1 9  6  72  o 67.91742 16.34567 0.3648831      0.1514408     0.1199138      0.2233771     0.5732502      0.2060143     49.31421 20.31697 84.42109 18.20811 -35.10688      27.28213 
1 1 1 9  6  73  o 61.01992 16.35366 0.2958065      0.1405901     0.2811023      0.2110807     0.3075306      0.1884819     59.38357 20.82334 61.41763 19.65520 -2.034061      28.63457 
1 1 1 9  6  74  o 100.2722 15.84078 0.7812923      0.2120440     0.4552859      0.4181000     0.8941815      0.2460331     71.59052 28.39357 106.2551 17.36921 -34.66456      33.28489 
1 1 1 9  6  75  o 119.6296 12.71759 1.067481       0.2068569     1.200030       0.3094269     0.9603771      0.2781466     121.7097 19.03536 108.4859 19.27399 13.22382       27.08933 
1 1 1 9  6  76  o 55.59233 14.93127 0.2428232      0.1170472     0.4093170      0.1524197     0.3519289E-02  0.1827329     71.96918 15.77297 39.55958 17.37370 32.40960       23.46555 
1 1 1 9  6  77  o 72.70092 11.99519 0.3966959      0.1162161     0.4258807      0.1718428     0.3720965      0.1577667     72.50230 17.38888 67.94708 16.88861 4.555222       24.24043 
1 1 1 9  6  78  o 108.2653 10.52300 0.8563965      0.1553261     1.140692       0.2335206     0.6308143      0.2080140     122.6060 14.04698 88.49946 17.64123 34.10658       22.55062 
1 1 1 9  6  79  o 68.14566 12.18035 0.3501798      0.1104070     0.3992854      0.1646578     0.3100669      0.1488190     70.32754 17.11739 62.02112 16.91147 8.306419       24.06248 
1 1 1 9  6  80  o 132.2043 9.983797 1.266662       0.1809109     1.488083       0.2735474     1.094526       0.2411900     139.9630 14.35735 119.4276 14.95350 20.53532       20.73018 
1 1 1 9  6  81  o 55.17885 14.55257 0.2384953      0.1124704     0.2612995      0.1533907     0.2119799      0.1654019     56.98730 17.66444 52.54504 18.43259 4.442261       25.53023 
1 1 1 9  6  82  o 104.4328 13.20699 0.8232060      0.1861918     1.150850       0.2970705     0.6112274      0.2389485     119.0775 18.68201 84.71294 20.62153 34.36461       27.82562 
1 1 1 9  6  83  o 78.44670 13.42883 0.4713096      0.1402319     0.5540669      0.2321024     0.4237333      0.1759835     80.12632 20.79686 71.75249 17.83852 8.373825       27.39931 
1 1 1 9  6  84  o 113.0875 10.76686 0.9420586      0.1660989     1.002621       0.2574632     0.8988826      0.2173878     111.5803 17.26830 107.3565 15.08044 4.223717       22.92626 
1 1 1 9  6  85  o 117.8935 11.57678 1.038010       0.1860275     0.9973204      0.2690823     1.075263       0.2574672     109.6340 18.42848 115.6776 16.59415 -6.043610      24.79868 
1 1 1 9  6  86  o 65.72089 13.89986 0.3426469      0.1221993     0.4570371      0.1669052     0.2104849      0.1794026     74.20419 16.69342 51.34707 19.03483 22.85711       25.31788 
1 1 1 9  6  87  o 93.78868 11.09865 0.6652098      0.1409464     0.5409271      0.2000974     0.7876002      0.1985681     78.38895 18.74030 98.81586 15.02618 -20.42691      24.02051 
1 1 1 9  6  88  o 109.0945 11.05875 0.9052066      0.1642871     0.9476632      0.2469925     0.8715177      0.2200148     104.7135 17.71392 102.0643 16.14872 2.649170       23.97006 
1 1 1 9  6  89  o 64.00077 13.68592 0.3367888      0.1172855     0.3505543      0.1746953     0.3254924      0.1582542     60.93171 18.84538 59.55835 17.84104 1.373360       25.95094 
1 1 1 9  6  90  f 76.62656 13.25223 0.4825484      0.1351447     0.4899057      0.2025886     0.4766492      0.1814076     69.69452 20.00385 70.77005 18.39446 -1.075531      27.17555 
1 1 1 9  6  91  o 110.7323 12.61974 1.007741       0.1895111     0.9737478      0.2637852     1.044002       0.2724428     97.64229 20.22985 101.2945 20.18699 -3.652176      28.57903 
1 1 1 9  6  92  o 71.37890 15.50401 0.4751573      0.1484365     0.6243130      0.2053391     0.3119043      0.2148238     76.04018 19.47182 50.58054 20.25668 25.45965       28.09777 
1 1 1 9  6  93  o 90.77422 12.71462 0.7239468      0.1549963     0.6339365      0.2329816     0.7954155      0.2076028     67.90263 21.86548 86.60971 17.94889 -18.70708      28.28890 
1 1 1 9  6  94  o 29.71693 12.80621 0.5637347E-01  0.9540860E-01 0.8230878E-01  0.1439410     0.3604981E-01  0.1274206     33.40445 14.99854 30.29173 13.80359 3.112717       20.38370 
1 1 1 9  6  95  o 32.02631 13.44259 0.1009835      0.1004377     0.2531246      0.1523759     -0.1589974E-01 0.1335578     41.29539 16.86934 27.01501 12.88416 14.28038       21.22678 
1 1 1 9  6  96  o 39.20924 15.37018 0.2313156      0.1211995     0.2798695      0.2022898     0.2041263      0.1513773     35.80177 16.69346 34.92334 15.55158 0.8784256      22.81498 
1 1 1 9  6  97  o 33.34612 14.63549 0.2122031      0.1294891     0.2294536      0.1956404     0.1987547      0.1727406     30.61825 14.85040 30.42104 14.54845 0.1972084      20.78922 
1 1 1 9  6  98  o 20.82527 10.14495 0.5768439E-03  0.9405005E-01 0.1621016      0.1313617     -0.1693007     0.1347154     26.87953 12.80800 18.93423 9.625063 7.945299       16.02144 
1 1 1 9  6  99  o 19.68406 9.553555 0.3272492E-01  0.8133399E-01 0.1633056      0.1190884     -0.8143383E-01 0.1113486     23.73408 11.52863 17.65944 8.953411 6.074640       14.59701 
1 1 1 9  6  100 o 17.72001 8.817169 0.4214502E-01  0.8485293E-01 0.1334744E-02  0.1241809     0.7788757E-01  0.1162151     17.16584 8.771453 18.36119 9.291220 -1.195353      12.77752 
1 1 1 9  6  101 o 16.38650 8.268371 0.8432950E-01  0.8822797E-01 0.1036472      0.1284850     0.6709326E-01  0.1213655     16.03862 8.242972 15.70539 8.067937 0.3332291      11.53422 
1 1 1 9  6  102 o 13.33892 6.864055 0.2385237E-01  0.9515455E-01 0.6794601E-01  0.1448932     -0.9585848E-02 0.1261774     13.57564 7.041828 13.14088 6.809610 0.4347639      9.795822 
1 1 1 9  6  103 o 11.72585 6.056766 -0.4086967E-02 0.8749676E-01 0.8590286E-01  0.1351127     -0.6908210E-01 0.1148259     12.23015 6.353448 11.48331 5.963366 0.7468433      8.713669 
1 1 1 9  6  104 o 10.26272 5.329415 -0.3894149E-01 0.9158057E-01 -0.8365681E-01 0.1699579     -0.2064630E-01 0.1087131     10.41478 5.423755 10.42854 5.422170 -0.1376629E-01 7.669227 
1 1 1 9  6  105 o 9.583055 4.990570 0.1894247      0.1388081     0.2866164      0.2205563     0.1256799      0.1786189     9.454871 4.919888 9.376322 4.882133 0.7854939E-01  6.931127 
1 1 1 9  6  106 o 7.763062 4.042774 -0.5608739E-01 0.1004237     0.1236317      0.1721423     -0.1488052     0.1236438     7.988116 4.154643 7.686644 4.001830 0.3014717      5.768509 
1 1 1 9  6  107 o 6.801546 3.536726 0.1684825      0.1322031     0.3915238E-01  0.2071996     0.2572854      0.1716930     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  108 o ?        ?        -0.5591459E-01 0.1006874     -0.1863079E-01 0.1688220     -0.7649854E-01 0.1254392     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  109 o ?        ?        0.1644473      0.1381005     0.2968835      0.2174546     0.7492719E-01  0.1787828     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  110 o ?        ?        -0.1114467     0.9412654E-01 0.3615756E-01  0.1683893     -0.1785271     0.1135176     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  111 o ?        ?        -0.9267186E-03 0.1035819     -0.1920232     0.1772849     0.9811883E-01  0.1276329     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  112 o ?        ?        0.4714202E-01  0.1617760     0.2515101E-01  0.2634293     0.6045739E-01  0.2049831     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  6  113 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  4   o 133.6752 24.76791 1.349088       0.4403347     1.349088       0.4403347     0.000000       0.000000      133.6752 24.76791 ?        ?        0.000000       24.76791 
1 1 1 9  7  5   o 186.0055 24.10244 2.572016       0.6044928     2.572016       0.6044928     0.000000       0.000000      186.0055 24.10244 ?        ?        0.000000       24.10244 
1 1 1 9  7  6   o 293.7567 16.85411 6.160262       0.6807863     6.160262       0.6807863     0.000000       0.000000      293.7567 16.85411 ?        ?        0.000000       16.85411 
1 1 1 9  7  7   o 163.8534 13.60925 1.903344       0.3051262     2.443663       0.3762676     0.8656029      0.5214540     185.3665 14.82438 105.1026 32.56772 80.26388       35.78294 
1 1 1 9  7  8   o 258.6402 13.42778 4.721913       0.4779050     4.642154       0.5837712     4.883986       0.8321653     254.9378 16.67515 257.2610 23.69220 -2.323212      28.97208 
1 1 1 9  7  9   o 299.2017 13.46169 6.304613       0.5561622     6.018456       0.6769620     6.898813       0.9755040     290.2135 16.96695 306.3658 23.23248 -16.15237      28.76848 
1 1 1 9  7  10  o 339.4715 13.54451 8.118885       0.6348991     8.298352       0.7775607     7.759874       1.099759      341.5606 16.48650 323.5983 24.80112 17.96228       29.78087 
1 1 1 9  7  11  o 438.9798 13.83412 13.58946       0.8385597     13.45027       1.022139      13.87598       1.466541      434.3755 17.04145 433.2992 24.61296 1.076263       29.93675 
1 1 1 9  7  12  o 368.6205 13.68511 9.579458       0.6965714     9.376248       0.8486847     9.998936       1.219350      362.6953 16.94597 368.0385 24.12721 -5.343170      29.48369 
1 1 1 9  7  13  o 233.9772 13.55635 3.870539       0.4361034     4.510985       0.5370690     2.630891       0.7472019     251.7523 15.52540 184.0611 30.46501 67.69116       34.19291 
1 1 1 9  7  14  o 279.4806 13.40965 5.503532       0.5174962     5.306021       0.6286734     5.918619       0.9113809     272.4014 16.79581 283.1882 23.51986 -10.78674      28.90127 
1 1 1 9  7  15  f 192.3437 13.50373 2.619783       0.3563760     2.533789       0.4334845     2.799106       0.6259733     187.8271 16.89464 193.9240 23.88150 -6.096817      29.25329 
1 1 1 9  7  16  o 195.9432 13.53899 2.719044       0.3640681     3.064145       0.4463935     2.033486       0.6291690     207.1775 15.72127 161.9785 29.20452 45.19896       33.16718 
1 1 1 9  7  17  o 316.6717 13.52148 7.070846       0.5912505     7.019715       0.7211053     7.175731       1.032798      313.4005 16.72374 311.1835 24.22686 2.216980       29.43848 
1 1 1 9  7  18  o 205.1344 11.68285 2.960825       0.3295522     3.184846       0.4638596     2.732508       0.4682862     211.0655 16.03582 194.7268 17.60640 16.33867       23.81454 
1 1 1 9  7  19  o 138.3442 11.89813 1.352848       0.2250772     1.823275       0.3178981     0.8799917      0.3187178     159.9077 14.55666 108.1052 22.09715 51.80255       26.46092 
1 1 1 9  7  20  o 274.4692 11.61783 5.284756       0.4403079     4.772274       0.6151346     5.823210       0.6305297     257.7885 17.38248 285.6587 16.05031 -27.87024      23.65932 
1 1 1 9  7  21  o 137.2240 11.85624 1.331236       0.2224480     1.430882       0.3127490     1.229209       0.3164619     140.8622 16.38532 129.7949 18.15417 11.06732       24.45511 
1 1 1 9  7  22  o 150.7083 11.78161 1.603565       0.2432269     1.702134       0.3425588     1.503350       0.3454085     153.7612 16.38678 143.8913 17.76138 9.869904       24.16595 
1 1 1 9  7  23  o 167.1672 11.68859 1.970405       0.2681078     2.247679       0.3803055     1.696442       0.3780282     177.1639 15.70895 152.7300 18.28887 24.43390       24.10920 
1 1 1 9  7  24  o 270.6292 11.65255 5.140459       0.4354451     4.992950       0.6125512     5.291151       0.6191261     263.8721 16.90050 271.8574 16.57215 -7.985229      23.66987 
1 1 1 9  7  25  o 177.1673 13.63042 2.228559       0.3308909     2.249276       0.4021832     2.185158       0.5821214     176.8046 16.67055 169.7655 25.63101 7.039017       30.57541 
1 1 1 9  7  26  o 93.79691 14.80609 0.6376734      0.1854014     0.7207306      0.2230262     0.4518872      0.3335603     99.20272 16.88648 78.67544 26.21359 20.52728       31.18182 
1 1 1 9  7  27  o 106.6282 14.50290 0.8188860      0.2079927     0.7097579      0.2507913     1.059319       0.3722559     97.64945 19.28389 118.0771 23.65610 -20.42761      30.52015 
1 1 1 9  7  28  o 161.9869 13.75944 1.866591       0.3048520     1.952115       0.3713117     1.689719       0.5339774     164.6224 16.55940 148.0535 27.11897 16.56897       31.77503 
1 1 1 9  7  29  f 129.8133 26.17690 1.298697       0.4530223     0.000000       0.000000      1.298697       0.4530223     ?        ?        129.8133 26.17690 0.000000       26.17690 
1 1 1 9  7  30  o 65.00729 22.67311 0.2868655      0.2500874     0.000000       0.000000      0.2868655      0.2500874     ?        ?        65.00729 22.67311 0.000000       22.67311 
1 1 1 9  7  31  o 91.37104 24.65093 0.6421452      0.3181876     0.000000       0.000000      0.6421452      0.3181876     ?        ?        91.37104 24.65093 0.000000       24.65093 
1 1 1 9  7  32  o 169.3409 16.78600 2.068691       0.3873357     1.686836       0.5433329     2.463294       0.5523286     147.4470 27.70370 182.0235 22.45097 -34.57645      35.65867 
1 1 1 9  7  33  o 143.4447 17.02294 1.491556       0.3305953     1.796294       0.4688566     1.190237       0.4662193     155.0131 22.56684 123.1419 28.04598 31.87119       35.99776 
1 1 1 9  7  34  o 134.5000 13.98775 1.293296       0.2559814     1.410729       0.3164774     1.071101       0.4353268     139.5371 16.76070 116.9226 27.43584 22.61456       32.15038 
1 1 1 9  7  35  o 159.5051 11.95680 1.798804       0.2614305     1.849790       0.3693312     1.747604       0.3701071     159.8984 16.98779 155.1212 17.58995 4.777222       24.45386 
1 1 1 9  7  36  o 216.8176 11.82401 3.314692       0.3526583     3.515157       0.4991897     3.114956       0.4982798     221.1761 16.46308 207.5844 17.54803 13.59167       24.06172 
1 1 1 9  7  37  o 180.0999 11.93300 2.291175       0.2950757     2.375892       0.4160216     2.205408       0.4185904     181.4494 16.79485 174.3862 17.62553 7.063202       24.34597 
1 1 1 9  7  38  o 195.7982 11.92624 2.706572       0.3209040     2.601582       0.4511035     2.814135       0.4566001     189.6019 17.42542 197.5101 16.90495 -7.908142      24.27802 
1 1 1 9  7  39  o 270.9898 11.85934 5.166185       0.4437632     4.902583       0.6227823     5.438063       0.6324820     260.6992 17.40046 275.0585 16.73223 -14.35928      24.14008 
1 1 1 9  7  40  o 85.08241 14.07096 0.5256130      0.1595326     0.5224838      0.2226155     0.5289167      0.2287353     83.27328 19.67311 83.70039 20.05402 -0.4271088     28.09262 
1 1 1 9  7  41  o 114.8448 12.80289 0.9416183      0.1995730     1.143076       0.2814486     0.7378820      0.2830358     125.3464 16.67482 98.66432 21.39166 26.68211       27.12292 
1 1 1 9  7  42  o 100.3203 13.35071 0.7233178      0.1803481     0.9510959      0.2551468     0.4958822      0.2549549     114.1522 16.67925 80.70898 22.18843 33.44318       27.75831 
1 1 1 9  7  43  o 82.81905 12.44517 0.4936610      0.1379199     0.5538737      0.2259222     0.4578898      0.1741335     85.77110 19.51513 78.59607 16.56732 7.175026       25.59915 
1 1 1 9  7  44  o 125.8844 11.15218 1.121243       0.1918451     1.307409       0.3093256     1.004870       0.2445630     133.9597 17.11370 117.8177 15.40152 16.14202       23.02359 
1 1 1 9  7  45  o 145.3203 9.962835 1.484957       0.1987089     1.599753       0.2812541     1.370548       0.2807802     149.6614 13.76402 138.0063 14.97456 11.65509       20.33927 
1 1 1 9  7  46  o 352.2450 9.743635 8.681821       0.4739187     8.752451       0.6698458     8.611029       0.6705992     351.3279 13.80779 348.3897 13.93990 2.938171       19.62080 
1 1 1 9  7  47  o 197.5918 9.735604 2.732392       0.2656255     2.923903       0.3770966     2.543789       0.3742224     202.7074 13.55046 188.6142 14.47920 14.09325       19.83084 
1 1 1 9  7  48  o 68.47414 11.80137 0.3391342      0.1075540     0.3533857      0.1531579     0.3252683      0.1510723     68.88765 16.34700 66.05994 16.58598 2.827713       23.28775 
1 1 1 9  7  49  f 148.7803 9.935366 1.557533       0.2029377     1.708233       0.2881396     1.409198       0.2858683     154.5988 13.63741 139.7830 15.04773 14.81583       20.30796 
1 1 1 9  7  50  o 119.0609 10.25341 1.001528       0.1669240     1.068668       0.2365271     0.9349101      0.2356078     121.7372 14.34630 113.3737 15.45262 8.363541       21.08554 
1 1 1 9  7  51  o 145.2647 10.01988 1.486828       0.1997546     1.484242       0.2807852     1.489478       0.2842378     143.6448 14.34815 143.8356 14.50950 -0.1908569     20.40576 
1 1 1 9  7  52  o 135.0627 11.45959 1.295267       0.2117020     1.462368       0.2666808     1.010521       0.3481216     142.7531 13.69725 114.5512 22.81027 28.20187       26.60682 
1 1 1 9  7  53  o 242.0850 10.78472 4.127132       0.3605080     4.193297       0.4597004     4.021436       0.5810164     242.1535 13.80540 234.2483 18.10331 7.905197       22.76661 
1 1 1 9  7  54  o 105.7152 11.10800 0.7967507      0.1597231     0.8578069      0.2235890     0.7331232      0.2282483     108.2430 15.39301 99.19166 17.29333 9.051346       23.15176 
1 1 1 9  7  55  o 119.4236 10.72131 1.013821       0.1749140     1.035830       0.2451853     0.9910126      0.2496056     119.0219 15.27085 116.0759 15.99817 2.946053       22.11652 
1 1 1 9  7  56  o 145.8097 10.20937 1.505924       0.2042559     1.619142       0.2879474     1.391258       0.2897842     149.5455 14.11128 137.8804 15.48865 11.66510       20.95296 
1 1 1 9  7  57  o 39.03198 12.87562 0.1050927      0.8054797E-01 0.1207661      0.1234842     0.9348480E-01  0.1062686     43.82067 15.86484 39.72577 14.66520 4.094902       21.60466 
1 1 1 9  7  58  o 72.58299 13.43161 0.3896970      0.1296593     0.3169068      0.2040694     0.4389751      0.1679069     64.47592 20.43260 76.06408 16.46398 -11.58816      26.24031 
1 1 1 9  7  59  o 67.59464 14.81603 0.3442630      0.1344719     0.3387824      0.2011158     0.3486944      0.1808399     66.11453 20.18204 67.06319 18.78150 -0.9486618     27.56918 
1 1 1 9  7  60  o 112.2270 11.81847 0.9110262      0.1803925     0.8426628      0.2406259     0.9987512      0.2725786     105.3489 17.13002 114.4618 17.82660 -9.112869      24.72297 
1 1 1 9  7  61  o 165.8597 11.27968 1.977550       0.2567957     1.849577       0.3327631     2.165975       0.4037807     157.6711 15.48404 169.0441 17.55445 -11.37305      23.40757 
1 1 1 9  7  62  o 60.30339 14.59768 0.2775240      0.1202484     0.3281563      0.1572229     0.2061621      0.1866532     64.81940 17.25907 54.07121 19.51595 10.74820       26.05279 
1 1 1 9  7  63  o 56.25317 16.17634 0.2442951      0.1323669     0.1648123      0.1678605     0.3749817      0.2152423     49.71513 18.41581 68.05196 20.89705 -18.33683      27.85370 
1 1 1 9  7  64  o 54.21770 15.94581 0.2268144      0.1273349     0.1936209      0.1618965     0.2806547      0.2061888     51.67180 18.22707 60.05492 20.60745 -8.383125      27.51169 
1 1 1 9  7  65  o 49.67436 15.93882 0.1864771      0.1238826     0.1596800      0.1572581     0.2303055      0.2011164     48.41258 17.84577 55.80760 20.24022 -7.395023      26.98403 
1 1 1 9  7  66  o 91.02036 14.57927 0.6307657      0.1770517     0.5776526      0.2111459     0.7565620      0.3249496     84.67798 18.56949 92.24879 24.92147 -7.570808      31.07902 
1 1 1 9  7  67  o 86.76989 14.58667 0.5757445      0.1685677     0.4890386      0.2011248     0.7804409      0.3090270     77.36034 18.97274 94.47568 23.72248 -17.11533      30.37632 
1 1 1 9  7  68  o 106.2770 13.77569 0.8518630      0.1974017     0.8735982      0.2339866     0.7981975      0.3676689     105.7498 16.56826 92.05196 27.10219 13.69783       31.76533 
1 1 1 9  7  69  o 89.62737 17.48446 0.6414358      0.2086167     0.5142582      0.2745128     0.8152900      0.3209593     76.13516 23.63612 95.59276 24.27155 -19.45760      33.87882 
1 1 1 9  7  70  o 62.74141 20.37906 0.3266751      0.2020732     0.5676240      0.3195447     0.1661078      0.2608542     78.33821 25.63577 53.46937 21.98339 24.86884       33.77073 
1 1 1 9  7  71  o 93.07317 17.00591 0.6883749      0.2105021     0.8175073      0.2651731     0.4683456      0.3461403     99.20432 20.04772 71.68607 26.46667 27.51826       33.20235 
1 1 1 9  7  72  o 38.11367 14.77448 0.8225899E-01  0.1110271     0.1914856      0.1607967     -0.1726658E-01 0.1534901     50.67525 18.13391 35.53978 15.75135 15.13547       24.01965 
1 1 1 9  7  73  o 90.31595 14.24380 0.6250849      0.1717480     0.5032535      0.2613834     0.7176493      0.2278349     75.31001 23.01198 94.15262 18.18300 -18.84261      29.32870 
1 1 1 9  7  74  o 48.33978 16.00186 0.1779261      0.1243712     0.2016385      0.1910405     0.1604835      0.1638488     52.54649 19.61019 48.24359 18.13018 4.302902       26.70698 
1 1 1 9  7  75  o 104.3621 13.10941 0.8190164      0.1847452     0.9682264      0.2868173     0.7132133      0.2415213     108.2786 19.91729 92.94217 19.44409 15.33643       27.83471 
1 1 1 9  7  76  o 52.96492 16.21558 0.2209132      0.1297161     0.2346454      0.2006745     0.2110573      0.1700083     55.31273 20.19391 52.62668 18.66583 2.686047       27.49922 
1 1 1 9  7  77  o 82.23553 17.34239 0.5447094      0.1907281     0.7632571      0.2532674     0.2583940      0.2898868     95.81343 19.79801 59.22284 23.59380 36.59060       30.79981 
1 1 1 9  7  78  o 45.51227 17.83058 0.1275491      0.1630349     0.2857498E-01  0.1903942     0.3996156      0.3156679     41.38849 17.96255 67.26220 25.18694 -25.87371      30.93598 
1 1 1 9  7  79  o 36.23285 14.97893 0.4933362E-01  0.1219808     0.3117787E-01  0.1678673     0.6964516E-01  0.1775539     39.43499 16.99044 42.50231 17.85815 -3.067314      24.64931 
1 1 1 9  7  80  o 122.7851 14.33035 1.162735       0.2383923     1.264227       0.3371618     1.061273       0.3371135     121.5436 20.83952 108.6265 23.18126 12.91717       31.17140 
1 1 1 9  7  81  o 69.40694 19.78006 0.4211833      0.1987739     0.2245400      0.3373837     0.5257302      0.2460029     57.14584 24.34071 75.68629 22.13640 -18.54046      32.90122 
1 1 1 9  7  82  o 152.5752 16.13381 1.877899       0.3347499     2.185550       0.5790296     1.723455       0.4102578     141.1718 30.58781 137.7590 22.33200 3.412811       37.87258 
1 1 1 9  7  83  o 73.16590 17.62629 0.4629224      0.1759665     0.4545031      0.2448094     0.4719220      0.2531062     67.96818 22.44807 68.86666 22.82917 -0.8984833     32.01698 
1 1 1 9  7  84  o 103.2230 15.53144 0.8821782      0.2145155     0.7841327      0.3014889     0.9827102      0.3052881     86.25573 24.28355 100.0838 22.62243 -13.82806      33.18832 
1 1 1 9  7  85  f 39.16658 15.77296 0.1003552      0.1310397     -0.3048376E-01 0.1817494     0.2419999      0.1891057     35.51711 16.29775 51.35667 19.43786 -15.83957      25.36626 
1 1 1 9  7  86  o 112.9494 15.51936 1.097417       0.2356489     1.101057       0.3321664     1.093728       0.3343600     98.99554 24.44530 98.13798 24.69419 0.8575668      34.74731 
1 1 1 9  7  87  o 48.98480 18.84173 0.2423567      0.1794854     0.1719988      0.2138077     0.4102672      0.3302982     44.77114 19.23073 54.99385 23.76293 -10.22271      30.56956 
1 1 1 9  7  88  o 101.3916 20.26608 1.104817       0.2738124     0.8526551      0.3294146     1.668470       0.4925039     73.22909 25.98164 89.42384 31.76434 -16.19476      41.03680 
1 1 1 9  7  89  o 56.16948 18.21775 0.3630984      0.1615113     0.2861640      0.2250167     0.4448572      0.2319647     46.39443 19.82258 55.05476 21.35157 -8.660324      29.13459 
1 1 1 9  7  90  o 46.40726 15.70665 0.2397609      0.1197523     0.4102044      0.1603764     0.2497407E-01  0.1800338     57.67349 18.09268 32.57106 15.36396 25.10243       23.73597 
1 1 1 9  7  91  o 76.91619 13.68510 0.5943621      0.1400193     0.7527118      0.2106918     0.4691075      0.1873854     71.35153 20.37487 53.46032 19.51439 17.89122       28.21253 
1 1 1 9  7  92  o 21.63132 10.16495 -0.1760310E-01 0.7747866E-01 0.3375147E-01  0.1253197     -0.4937756E-01 0.9857547E-01 27.33786 12.87193 22.20101 10.71272 5.136850       16.74660 
1 1 1 9  7  93  o 30.86400 13.56322 0.1423015      0.1115198     0.4878501      0.1637346     -0.1567084     0.1523101     47.94321 18.10113 21.89543 11.02453 26.04778       21.19413 
1 1 1 9  7  94  o 19.64337 9.540627 -0.2261329E-01 0.8150283E-01 0.4786762E-01  0.1061928     -0.1236414     0.1271395     23.55657 11.30282 19.73540 9.954022 3.821163       15.06108 
1 1 1 9  7  95  o 22.12980 10.48311 0.7004128E-01  0.8547471E-01 0.1323909      0.1225779     0.1103135E-01  0.1192498     23.71477 11.55897 20.42076 10.20660 3.294003       15.42026 
1 1 1 9  7  96  o 20.56011 10.00866 0.1014032      0.9107620E-01 0.2105982E-01  0.1306031     0.1774607      0.1270718     18.35895 9.346606 21.28740 10.62382 -2.928442      14.15007 
1 1 1 9  7  97  o 18.31370 9.070168 0.1118322      0.8580842E-01 0.1340005      0.1246954     0.9189206E-01  0.1182628     17.54433 8.950008 17.04573 8.697508 0.4985943      12.47996 
1 1 1 9  7  98  o 14.98500 7.672103 0.9203038E-01  0.9945283E-01 0.1403957      0.1424626     0.4605363E-01  0.1389001     14.89310 7.693889 14.28014 7.391859 0.6129608      10.66937 
1 1 1 9  7  99  o 12.66771 6.545127 0.3370886E-01  0.1039456     0.1015942      0.1749727     -0.3315487E-02 0.1292189     12.81436 6.665090 12.44953 6.462253 0.3648291      9.283541 
1 1 1 9  7  100 o 11.87481 6.154987 0.1065070      0.1047936     0.1108362      0.1733777     0.1040150      0.1315407     11.54257 6.008871 11.66508 6.063473 -0.1225157     8.536524 
1 1 1 9  7  101 o 10.21127 5.312952 0.8365879E-01  0.1172724     0.8242149E-01  0.2445050     0.8402847E-01  0.1336484     10.04331 5.226203 10.16047 5.289689 -0.1171627     7.435994 
1 1 1 9  7  102 o 8.737145 4.550062 0.7001339E-01  0.1303799     0.3893918      0.2518035     -0.4697749E-01 0.1524000     8.818725 4.581551 8.569717 4.461688 0.2490072      6.395097 
1 1 1 9  7  103 o 7.505224 3.904466 0.1672263      0.1469884     0.2057589      0.2961088     0.1546267      0.1693231     ?        ?        7.465652 3.880404 0.000000       3.880404 
1 1 1 9  7  104 o ?        ?        -0.1911278     0.4295347E-01 -0.2391889     0.1752152     -0.1880548     0.4430541E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  7  105 o ?        ?        0.4371534E-01  0.1206282     0.6320778E-01  0.2563519     0.3817176E-01  0.1367094     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  7  106 o 4.086230 2.124544 -0.1017742     0.4839730E-01 -0.3829379     0.1875675     -0.8171990E-01 0.5009357E-01 ?        ?        4.119370 2.141437 0.000000       2.141437 
1 1 1 9  7  107 o ?        ?        -0.2247325     0.3822498E-01 -0.1756543     0.1653051     -0.2275050     0.3928986E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  7  108 o ?        ?        -0.4298857E-01 0.1045100     -0.2777221     0.2096986     0.3458324E-01  0.1205480     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  7  109 o ?        ?        0.2855893      0.2027002     0.1353076      0.3172020     0.3893137      0.2635258     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  1   o 130.9036 17.64761 1.248142       0.3108593     0.4956223      0.4311831     2.062592       0.4485753     83.57038 29.71732 167.8416 19.73182 -84.27122      35.67161 
1 1 1 9  8  2   o 218.3675 24.33529 3.567927       0.7212938     3.567927       0.7212938     0.000000       0.000000      218.3675 24.33529 ?        ?        0.000000       24.33529 
1 1 1 9  8  3   o 151.5827 25.16401 1.745570       0.5082340     1.745570       0.5082340     0.000000       0.000000      151.5827 25.16401 ?        ?        0.000000       25.16401 
1 1 1 9  8  4   o 114.9320 17.69657 0.9667554      0.2718346     0.9667554      0.2718346     0.000000       0.000000      114.9320 17.69657 ?        ?        0.000000       17.69657 
1 1 1 9  8  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  7   o 159.9199 25.46247 1.943627       0.5434120     1.943627       0.5434120     0.000000       0.000000      159.9199 25.46247 ?        ?        0.000000       25.46247 
1 1 1 9  8  8   o 141.9949 25.45449 1.539583       0.4807521     1.539583       0.4807521     0.000000       0.000000      141.9949 25.45449 ?        ?        0.000000       25.45449 
1 1 1 9  8  9   f 148.2924 13.81821 1.567075       0.2796914     1.567075       0.2796914     0.000000       0.000000      148.2924 13.81821 ?        ?        0.000000       13.81821 
1 1 1 9  8  10  o 167.9012 16.82143 2.033390       0.3847454     2.033390       0.3847454     0.000000       0.000000      167.9012 16.82143 ?        ?        0.000000       16.82143 
1 1 1 9  8  11  o 94.99531 18.02507 0.6675256      0.2277884     0.6675256      0.2277884     0.000000       0.000000      94.99531 18.02507 ?        ?        0.000000       18.02507 
1 1 1 9  8  12  o 133.2168 16.96284 1.287694       0.3049506     1.287694       0.3049506     0.000000       0.000000      133.2168 16.96284 ?        ?        0.000000       16.96284 
1 1 1 9  8  13  o 146.4611 16.92015 1.552593       0.3358898     1.552593       0.3358898     0.000000       0.000000      146.4611 16.92015 ?        ?        0.000000       16.92015 
1 1 1 9  8  14  o 162.2196 16.83483 1.900008       0.3716031     1.900008       0.3716031     0.000000       0.000000      162.2196 16.83483 ?        ?        0.000000       16.83483 
1 1 1 9  8  15  o 119.5970 17.67110 1.045912       0.2830358     1.174669       0.3943164     0.9090700      0.4065083     124.3052 23.84035 107.7552 27.29124 16.54996       36.23775 
1 1 1 9  8  16  o 155.4839 17.24747 1.751088       0.3640568     1.486637       0.5080344     2.030230       0.5219561     138.2696 27.57608 164.3757 23.67959 -26.10605      36.34781 
1 1 1 9  8  17  o 111.1926 18.18709 0.9097797      0.2695833     1.025162       0.3768750     0.7888818      0.3857777     115.6824 24.36316 100.4435 27.16187 15.23895       36.48740 
1 1 1 9  8  18  o 60.46748 18.27962 0.2665284      0.1655734     0.3091921      0.2273500     0.2183439      0.2416127     65.80189 21.62799 59.82428 22.10729 5.977608       30.92737 
1 1 1 9  8  19  o 148.9495 17.49666 1.611410       0.3530042     1.739159       0.4943895     1.478540       0.5042018     151.4606 24.47371 137.8736 27.44900 13.58704       36.77513 
1 1 1 9  8  20  o 144.5715 17.49342 1.519393       0.3421116     1.632135       0.4813573     1.404315       0.4863187     146.5109 24.67010 134.4209 27.13599 12.09000       36.67392 
1 1 1 9  8  21  o 187.7560 13.62395 2.505054       0.3508066     2.235113       0.4251361     3.081042       0.6210127     175.5425 17.78458 203.6463 22.45793 -28.10379      28.64698 
1 1 1 9  8  22  o 219.0278 13.54604 3.404010       0.4076737     3.267794       0.4968885     3.684540       0.7130729     212.9224 17.04336 222.0344 23.62090 -9.111954      29.12770 
1 1 1 9  8  23  o 127.6975 12.13862 1.157429       0.2114631     1.134452       0.2937451     1.182144       0.3046615     124.6040 17.55958 127.1268 17.84742 -2.522842      25.03736 
1 1 1 9  8  24  o 192.9494 11.78558 2.626940       0.3124965     2.337289       0.4364021     2.931767       0.4476876     179.4655 17.84707 202.0035 16.18607 -22.53801      24.09370 
1 1 1 9  8  25  o 130.7839 12.02860 1.213201       0.2147891     1.443308       0.3035346     0.9824169      0.3039812     141.4583 15.81009 114.9026 19.87880 26.55570       25.39932 
1 1 1 9  8  26  f 114.2706 12.29218 0.9296588      0.1909046     1.050539       0.2689193     0.8068528      0.2710530     120.1293 16.66047 103.9848 19.59639 16.14452       25.72139 
1 1 1 9  8  27  o 160.9106 11.87815 1.830877       0.2620536     1.849084       0.3687139     1.812293       0.3725148     159.7925 16.97045 158.0119 17.35933 1.780594       24.27638 
1 1 1 9  8  28  o 191.8146 11.79710 2.597162       0.3109453     2.672846       0.4385659     2.520659       0.4409299     192.5410 16.65997 186.6324 17.30667 5.908585       24.02240 
1 1 1 9  8  29  o 186.0004 11.84756 2.443301       0.3027011     2.590827       0.4265374     2.293616       0.4296476     189.6288 16.45283 177.7395 17.74326 11.88928       24.19749 
1 1 1 9  8  30  o 189.4206 11.89789 2.534358       0.3096160     2.385222       0.4338620     2.689125       0.4419771     181.3635 17.54381 193.0562 16.74562 -11.69267      24.25286 
1 1 1 9  8  31  o 174.6672 11.96017 2.157058       0.2867244     2.121717       0.4027979     2.193359       0.4082358     171.0703 17.28926 173.9928 17.21788 -2.922424      24.40029 
1 1 1 9  8  32  o 150.1184 12.09259 1.596785       0.2485381     1.664221       0.3494421     1.527747       0.3535661     151.4375 17.00497 144.5572 18.11052 6.880264       24.84271 
1 1 1 9  8  33  o 188.2703 11.90014 2.504462       0.3077735     2.621546       0.4339631     2.385971       0.4365634     190.5939 16.65675 181.2807 17.66490 9.313263       24.27954 
1 1 1 9  8  34  o 175.3665 11.97887 2.175073       0.2883333     2.405156       0.4075761     1.944563       0.4079538     182.6384 16.33379 163.1243 18.43499 19.51407       24.63009 
1 1 1 9  8  35  o 120.0328 12.53579 1.026880       0.2047077     0.9050218      0.2866713     1.153669       0.2924150     110.1764 19.55977 125.6271 17.31722 -15.45077      26.12414 
1 1 1 9  8  36  o 171.5566 12.04844 2.083222       0.2836048     2.223022       0.4002346     1.942239       0.4019263     175.2967 16.73837 163.1032 18.15424 12.19350       24.69310 
1 1 1 9  8  37  o 152.6473 12.14124 1.652341       0.2537968     1.723509       0.3571410     1.579734       0.3607318     153.9901 17.08405 146.8793 18.17423 7.110779       24.94329 
1 1 1 9  8  38  o 177.9169 12.02912 2.240890       0.2937851     2.292597       0.4136968     2.188284       0.4172761     177.7924 17.06071 173.3638 17.67857 4.428574       24.56826 
1 1 1 9  8  39  o 162.1228 12.21384 1.864435       0.2714140     1.918404       0.3806615     1.808627       0.3870942     162.3709 17.24208 157.1722 18.17123 5.198624       25.04961 
1 1 1 9  8  40  o 122.4990 12.65068 1.071378       0.2109042     1.220801       0.2964830     0.9183121      0.3000765     129.2183 17.03143 110.4445 20.42906 18.77386       26.59729 
1 1 1 9  8  41  o 96.03593 13.50153 0.6662093      0.1740972     0.6791851      0.2434148     0.6526198      0.2491050     95.03064 19.21062 92.82703 20.02270 2.203613       27.74809 
1 1 1 9  8  42  o 52.78087 15.07316 0.2044112      0.1153050     0.2519976      0.1584129     0.1507923      0.1681546     58.64816 17.91368 50.04038 18.45249 8.607777       25.71759 
1 1 1 9  8  43  o 194.6157 12.11334 2.686811       0.3239076     2.756758       0.4559064     2.615517       0.4602738     194.5857 17.14296 189.1017 17.83793 5.483978       24.74010 
1 1 1 9  8  44  o 136.6829 12.72002 1.335226       0.2373155     1.495493       0.3338177     1.171460       0.3374411     142.7643 17.28596 124.7521 20.28600 18.01220       26.65194 
1 1 1 9  8  45  o 74.74899 15.32941 0.4147833      0.1529127     0.4871419      0.2141059     0.3394501      0.2184623     79.87631 19.56671 67.35480 21.11428 12.52151       28.78662 
1 1 1 9  8  46  o 122.8776 13.01879 1.085293       0.2175281     1.069761       0.3071098     1.100931       0.3081552     119.2946 19.30321 121.1785 19.04467 -1.883812      27.11666 
1 1 1 9  8  47  o 114.4215 13.48195 0.9467511      0.2089207     1.140165       0.2949151     0.7519051      0.2960050     123.7980 17.76104 98.09775 22.35109 25.70023       28.54866 
1 1 1 9  8  48  o 48.65366 16.27324 0.1652864      0.1285330     0.1549532      0.1799031     0.1760606      0.1837026     50.77463 19.01402 52.63512 19.30517 -1.860489      27.09655 
1 1 1 9  8  49  o 159.8872 12.64566 1.835792       0.2769073     2.177603       0.3917657     1.494538       0.3914466     171.8352 16.72300 139.5779 20.95774 32.25732       26.81204 
1 1 1 9  8  50  o 128.8774 11.34558 1.188632       0.1998441     1.319684       0.3230903     1.107422       0.2543342     132.4259 18.14632 122.5953 15.36152 9.830635       23.77531 
1 1 1 9  8  51  o 213.0381 10.84112 3.229766       0.3178580     3.273888       0.5033696     3.200505       0.4099235     209.5397 17.55922 209.8309 14.23217 -0.2911835     22.60267 
1 1 1 9  8  52  f 138.7288 11.32975 1.380761       0.2151378     1.340556       0.3399312     1.407625       0.2778679     132.2539 19.17328 138.3013 14.77920 -6.047379      24.20826 
1 1 1 9  8  53  o 86.79268 16.18490 0.5716295      0.1868329     0.5328459      0.2398715     0.6314480      0.2979012     81.50293 21.13616 87.37117 23.96990 -5.868240      31.95769 
1 1 1 9  8  54  o 137.8267 12.63653 1.382565       0.2378134     1.399893       0.2801529     1.337876       0.4498917     137.2752 15.02498 125.1534 26.83846 12.12180       30.75797 
1 1 1 9  8  55  o 178.0368 12.21047 2.299241       0.2983650     2.356262       0.4128770     2.236916       0.4316526     176.1937 17.18935 170.3057 18.66109 5.887985       25.37144 
1 1 1 9  8  56  o 60.86002 12.35766 0.2770671      0.1003044     0.2746907      0.1492855     0.2790228      0.1354284     59.37289 17.20977 59.99993 16.03811 -0.6270332     23.52439 
1 1 1 9  8  57  o 131.3805 11.26837 1.252360       0.2024447     1.150963       0.3111753     1.326772       0.2665722     120.5362 19.35073 133.0273 14.76118 -12.49106      24.33810 
1 1 1 9  8  58  o 134.8492 10.47680 1.313033       0.1935496     1.366913       0.2748428     1.260025       0.2726119     134.5824 15.04720 128.7196 15.66047 5.862732       21.71794 
1 1 1 9  8  59  o 87.62061 11.29772 0.5636153      0.1335054     0.6200439      0.1878301     0.5059996      0.1897956     89.62980 15.75148 79.70455 17.70542 9.925247       23.69791 
1 1 1 9  8  60  o 137.8131 10.41492 1.374310       0.1967280     1.469242       0.2759269     1.276162       0.2805618     139.5926 14.52792 128.7901 16.13021 10.80246       21.70816 
1 1 1 9  8  61  f 61.28351 13.86165 0.2891178      0.1145541     0.2328026      0.1599225     0.3484633      0.1641689     54.67224 18.14762 65.75205 17.69302 -11.07981      25.34520 
1 1 1 9  8  62  o 27.77693 11.73355 0.1201697E-01  0.7731509E-01 0.3105727E-01  0.1087394     -0.7449929E-02 0.1099508     33.62971 14.04211 30.99249 13.54717 2.637218       19.51171 
1 1 1 9  8  63  o 78.29344 13.69573 0.4673127      0.1426713     0.5489143      0.2407122     0.4231220      0.1771390     80.13361 21.36435 72.20857 17.86406 7.925034       27.84887 
1 1 1 9  8  64  o 95.31214 13.72688 0.6889424      0.1754479     0.6586543      0.2882932     0.7067584      0.2211073     86.02742 23.57150 93.93038 17.69661 -7.902962      29.47517 
1 1 1 9  8  65  f 129.8068 10.80708 1.230620       0.1919460     1.324603       0.2735946     1.139524       0.2693604     131.1717 15.39820 120.5851 16.61868 10.58657       22.65579 
1 1 1 9  8  66  o 62.46827 15.67710 0.3095593      0.1350125     0.3041484      0.1766473     0.3171605      0.2093690     60.88440 18.97013 61.82389 20.76891 -0.9394951     28.12852 
1 1 1 9  8  67  o 35.81294 14.18344 0.6404950E-01  0.1041903     0.6080274E-02  0.1394157     0.1373839      0.1568075     35.33402 15.35289 46.04108 17.63443 -10.70706      23.38128 
1 1 1 9  8  68  o 35.87369 13.23700 0.8119892E-01  0.8655812E-01 0.6399971E-01  0.1215912     0.9887032E-01  0.1232490     37.52411 15.16476 40.60789 15.61488 -3.083786      21.76682 
1 1 1 9  8  69  o 44.44370 15.00437 0.1456680      0.1092803     0.1155736      0.1493803     0.1803175      0.1602869     43.88973 17.10278 49.74454 18.06499 -5.854805      24.87667 
1 1 1 9  8  70  o 36.67167 14.31261 0.7265715E-01  0.1047427     0.1617319      0.1442997     -0.2654130E-01 0.1522792     47.47352 17.15568 34.93327 15.57382 12.54025       23.17026 
1 1 1 9  8  71  o 57.59991 17.94157 0.2676855      0.1580239     0.2699323      0.1768759     0.2587991      0.3517672     57.78981 19.08066 61.13575 25.36860 -3.345947      31.74330 
1 1 1 9  8  72  o 52.91073 18.23089 0.2178717      0.1614542     0.2178717      0.1614542     0.000000       0.000000      52.91073 18.23089 ?        ?        0.000000       18.23089 
1 1 1 9  8  73  o 58.63829 18.66558 0.2821263      0.1701539     0.2821263      0.1701539     0.000000       0.000000      58.63829 18.66558 ?        ?        0.000000       18.66558 
1 1 1 9  8  74  o 58.86898 15.73937 0.2783184      0.1304126     0.2671219      0.1730618     0.2930310      0.1983830     57.04741 18.87565 59.25040 20.21514 -2.202991      27.65758 
1 1 1 9  8  75  o 46.18969 14.99171 0.1651155      0.1093636     0.1293555      0.1460913     0.2107019      0.1649467     44.22464 17.00163 51.74433 18.38233 -7.519688      25.03928 
1 1 1 9  8  76  o 47.42997 17.23771 0.1705132      0.1459831     0.1644107      0.2449423     0.1738750      0.1817990     50.98748 21.16422 48.98934 18.92937 1.998146       28.39446 
1 1 1 9  8  77  o 132.8972 16.18665 1.431513       0.2909013     1.238614       0.4971568     1.531941       0.3587213     99.89301 31.91706 132.3214 20.27962 -32.42836      37.81483 
1 1 1 9  8  78  o 58.62281 17.05838 0.2962865      0.1464165     0.3674062      0.2042131     0.2210516      0.2100381     62.77545 20.49141 51.81596 20.25542 10.95950       28.81285 
1 1 1 9  8  79  o 121.6775 14.13386 1.189985       0.2330464     1.138238       0.3284597     1.242443       0.3307066     107.7639 22.78578 114.3111 21.74617 -6.547218      31.49743 
1 1 1 9  8  80  o 44.29015 16.26077 0.1605464      0.1303783     0.2104979      0.1818041     0.1076569      0.1870744     49.07263 18.93859 42.63427 18.14149 6.438362       26.22564 
1 1 1 9  8  81  o 71.11550 19.44452 0.4974903      0.1964226     0.2801086      0.2379517     0.9624220      0.3479941     52.51063 21.21677 87.54458 26.50870 -35.03395      33.95382 
1 1 1 9  8  82  o 67.67297 19.78832 0.4794143      0.1966015     0.3090552      0.2377252     0.8480775      0.3497095     52.46526 21.20378 76.10970 26.79503 -23.64445      34.16978 
1 1 1 9  8  83  o 86.16215 16.91289 0.7096800      0.1940366     0.6769623      0.2696325     0.7448234      0.2794490     71.15292 23.56152 74.56709 23.94014 -3.414162      33.58981 
1 1 1 9  8  84  o 47.05842 16.96894 0.2377167      0.1410645     0.2658400      0.1958035     0.2073676      0.2034041     46.82885 19.12545 43.37640 18.69554 3.452450       26.74520 
1 1 1 9  8  85  o 62.78509 17.08358 0.4354929      0.1520525     0.5607351      0.2297118     0.3378257      0.2028535     60.17704 21.65940 48.21520 19.55160 11.96184       29.17867 
1 1 1 9  8  86  o 61.49677 18.03585 0.4845483      0.1631056     0.3767968      0.2450279     0.5702829      0.2185658     43.68996 19.59609 57.16116 21.04355 -13.47119      28.75479 
1 1 1 9  8  87  o 23.83586 11.45458 -0.4185907E-01 0.1100023     -0.4607663E-01 0.1835840     -0.3949663E-01 0.1373991     27.77542 13.66309 25.78866 12.49304 1.986763       18.51368 
1 1 1 9  8  88  o 32.54164 15.00012 0.1804836      0.1563572     0.1864117      0.2503504     0.1766924      0.2002058     31.13491 15.43305 31.46074 15.20188 -0.3258286     21.66278 
1 1 1 9  8  89  o 26.83999 12.68975 0.9324432E-01  0.1241037     0.8126385E-01  0.1731757     0.1058930      0.1779396     26.50249 13.08134 27.07560 13.34440 -0.5731106     18.68674 
1 1 1 9  8  90  o 21.73771 10.61491 0.2455335E-01  0.1047333     -0.1732736E-01 0.1385824     0.8033189E-01  0.1599317     21.46824 10.76949 23.66178 11.82554 -2.193548      15.99454 
1 1 1 9  8  91  o 18.59822 9.282848 -0.6771164E-02 0.9713884E-01 -0.1384887E-01 0.1269927     0.3209855E-02  0.1508064     19.12789 9.682897 19.70683 10.03384 -0.5789394     13.94405 
1 1 1 9  8  92  o 17.01425 8.646056 0.1538991E-02  0.1080324     0.1219150E-01  0.1438734     -0.1223125E-01 0.1635782     17.44401 8.951721 17.32403 8.918868 0.1199780      12.63644 
1 1 1 9  8  93  o 15.75758 8.079430 0.5191133E-01  0.1145666     -0.7507415E-02 0.1542216     0.1250811      0.1711391     15.28050 7.897807 16.08147 8.312075 -0.8009624     11.46586 
1 1 1 9  8  94  o 13.89880 7.179518 0.5824861E-01  0.1233160     -0.1300842     0.1491556     0.4650267      0.2192074     12.95261 6.727673 14.81448 7.702584 -1.861869      10.22699 
1 1 1 9  8  95  o 12.36259 6.408241 0.2955621E-01  0.1142039     0.1980802E-01  0.1394427     0.4941668E-01  0.1990344     12.30887 6.395507 12.37870 6.444288 -0.6983566E-01 9.079172 
1 1 1 9  8  96  o 8.581134 4.452455 -0.2046654     0.5923854E-01 -0.2657072     0.6956479E-01 -0.4361321E-01 0.1129949     ?        ?        10.78558 5.606609 0.000000       5.606609 
1 1 1 9  8  97  o 10.05893 5.237898 0.2450019      0.1993959     0.2729042      0.3057898     0.2243621      0.2629998     9.932708 5.161712 9.941709 5.171236 -0.9000778E-02 7.306500 
1 1 1 9  8  98  o 8.498635 4.424745 0.3004644E-02  0.1494897     0.1102385      0.2458312     -0.5991579E-01 0.1883072     ?        ?        8.457195 4.399255 0.000000       4.399255 
1 1 1 9  8  99  f 7.186320 3.740511 -0.9879058E-01 0.1199076     -0.9107293E-02 0.2149129     -0.1393270     0.1444872     ?        ?        7.194022 3.741422 0.000000       3.741422 
1 1 1 9  8  100 o ?        ?        0.4537816E-01  0.1597912     0.1274484      0.2595194     -0.4733366E-02 0.2027896     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  101 f ?        ?        0.6858785E-01  0.1743655     0.3514527      0.2815900     -0.1073193     0.2220596     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  102 o ?        ?        0.2870627      0.2074528     0.2831456      0.3192225     0.2899265      0.2729476     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  103 o ?        ?        -0.1715576     0.1873610     -0.1715576     0.1873610     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  104 o ?        ?        -0.5148709     0.7777093E-01 -0.5148709     0.7777093E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  105 o ?        ?        0.1106571      0.2763419     0.1106571      0.2763419     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  8  106 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  9  0   o 62.07953 28.44153 0.4045812      0.2661898     0.000000       0.000000      0.4045812      0.2661898     62.07953 28.44153 62.07953 28.44153 0.000000       0.000000 
1 1 1 9  9  1   o 100.9542 25.40950 0.7929901      0.3539452     0.000000       0.000000      0.7929901      0.3539452     ?        ?        100.9542 25.40950 0.000000       25.40950 
1 1 1 9  9  2   o 68.30196 22.80066 0.3339377      0.2523206     0.000000       0.000000      0.3339377      0.2523206     ?        ?        68.30196 22.80066 0.000000       22.80066 
1 1 1 9  9  3   o 81.63042 18.29341 0.4983580      0.2010914     0.4239005      0.2847288     0.5724581      0.2840447     75.52979 24.15642 86.39673 23.28324 -10.86694      33.55059 
1 1 1 9  9  4   o 77.41109 23.87073 0.4509643      0.2805247     0.000000       0.000000      0.4509643      0.2805247     ?        ?        77.41109 23.87073 0.000000       23.87073 
1 1 1 9  9  5   o 156.5022 25.51968 1.875152       0.5324770     0.000000       0.000000      1.875152       0.5324770     ?        ?        156.5022 25.51968 0.000000       25.51968 
1 1 1 9  9  6   o 156.8598 25.57284 1.884426       0.5348099     0.000000       0.000000      1.884426       0.5348099     ?        ?        156.8598 25.57284 0.000000       25.57284 
1 1 1 9  9  7   o 169.9144 25.36061 2.202039       0.5767976     0.000000       0.000000      2.202039       0.5767976     ?        ?        169.9144 25.36061 0.000000       25.36061 
1 1 1 9  9  8   o 87.39011 25.26158 0.5892813      0.3220486     0.000000       0.000000      0.5892813      0.3220486     ?        ?        87.39011 25.26158 0.000000       25.26158 
1 1 1 9  9  9   o 100.2429 25.73646 0.7838009      0.3580656     0.000000       0.000000      0.7838009      0.3580656     ?        ?        100.2429 25.73646 0.000000       25.73646 
1 1 1 9  9  10  o 109.2811 18.12502 0.8812060      0.2639187     0.8812060      0.2639187     0.000000       0.000000      109.2811 18.12502 ?        ?        0.000000       18.12502 
1 1 1 9  9  11  o 96.09638 18.41934 0.6867130      0.2355146     0.6867130      0.2355146     0.000000       0.000000      96.09638 18.41934 ?        ?        0.000000       18.41934 
1 1 1 9  9  12  o 87.41188 18.49875 0.5709928      0.2163172     0.5709928      0.2163172     0.000000       0.000000      87.41188 18.49875 ?        ?        0.000000       18.49875 
1 1 1 9  9  13  o 141.4700 17.32229 1.457342       0.3313128     1.457342       0.3313128     0.000000       0.000000      141.4700 17.32229 ?        ?        0.000000       17.32229 
1 1 1 9  9  14  o 147.8828 24.87621 1.671574       0.4899392     1.671574       0.4899392     0.000000       0.000000      147.8828 24.87621 ?        ?        0.000000       24.87621 
1 1 1 9  9  15  o 111.3473 17.96952 0.9135796      0.2668762     0.9135796      0.2668762     0.000000       0.000000      111.3473 17.96952 ?        ?        0.000000       17.96952 
1 1 1 9  9  16  o 82.73707 18.10772 0.5115597      0.2011284     0.5115597      0.2011284     0.000000       0.000000      82.73707 18.10772 ?        ?        0.000000       18.10772 
1 1 1 9  9  17  o 114.9513 17.69710 0.9710388      0.2718899     0.9710388      0.2718899     0.000000       0.000000      114.9513 17.69710 ?        ?        0.000000       17.69710 
1 1 1 9  9  18  o 93.82883 18.33172 0.6555830      0.2289905     0.6555830      0.2289905     0.000000       0.000000      93.82883 18.33172 ?        ?        0.000000       18.33172 
1 1 1 9  9  19  o 52.23718 17.10250 0.1905808      0.1422128     0.1905808      0.1422128     0.000000       0.000000      52.23718 17.10250 ?        ?        0.000000       17.10250 
1 1 1 9  9  20  o 53.21938 16.63623 0.2028340      0.1357302     0.2028340      0.1357302     0.000000       0.000000      53.21938 16.63623 ?        ?        0.000000       16.63623 
1 1 1 9  9  21  o 92.17652 15.15880 0.6200341      0.1862316     0.6912752      0.2237840     0.4595619      0.3358639     96.69488 17.40036 78.71142 26.30572 17.98346       31.53987 
1 1 1 9  9  22  o 159.0652 13.98247 1.808581       0.3039933     1.739870       0.3686246     1.954644       0.5374555     154.4782 17.59535 159.6957 25.20960 -5.217468      30.74281 
1 1 1 9  9  23  o 73.15646 14.24735 0.3924168      0.1387455     0.3523368      0.1873362     0.4411121      0.2064910     68.56687 19.08524 76.41843 19.50350 -7.851563      27.28796 
1 1 1 9  9  24  o 75.88055 13.88276 0.4205240      0.1400998     0.4670342      0.1912338     0.3666415      0.2058328     78.94624 17.94888 69.89339 20.19323 9.052849       27.01719 
1 1 1 9  9  25  o 178.8170 11.95283 2.263835       0.2934327     2.230998       0.4101149     2.298278       0.4200152     175.2377 17.16940 177.8003 17.32804 -2.562637      24.39363 
1 1 1 9  9  26  o 78.03816 14.19988 0.4454586      0.1473764     0.4005820      0.2019122     0.4966280      0.2156044     72.82088 19.63296 81.00441 19.50840 -8.183525      27.67726 
1 1 1 9  9  27  o 78.21039 13.65740 0.4458411      0.1421257     0.5598916      0.1969883     0.3220129      0.2052588     86.80780 17.04236 65.98107 20.43087 20.82673       26.60569 
1 1 1 9  9  28  o 196.6393 11.90285 2.737512       0.3216683     3.082676       0.4550385     2.392745       0.4547770     206.6573 16.07271 180.6449 18.49270 26.01244       24.50127 
1 1 1 9  9  29  o 164.4711 12.05544 1.919881       0.2718781     1.930893       0.3816630     1.908535       0.3873883     162.6768 17.25430 161.5240 17.65643 1.152863       24.68725 
1 1 1 9  9  30  o 129.9645 12.41044 1.205038       0.2200082     1.260467       0.3086467     1.147783       0.3136919     130.9446 17.50852 124.2624 18.87582 6.682205       25.74578 
1 1 1 9  9  31  o 45.60075 14.43202 0.1471148      0.1018345     0.1979204      0.1383827     0.8710373E-01  0.1503979     52.64859 16.84084 43.53036 17.10381 9.118233       24.00321 
1 1 1 9  9  32  o 149.6745 12.25758 1.595554       0.2511108     1.704971       0.3533100     1.483860       0.3569668     152.6443 17.05392 141.4738 18.73396 11.17053       25.33372 
1 1 1 9  9  33  o 151.0526 12.28301 1.626330       0.2539763     1.827834       0.3575965     1.421224       0.3607783     158.2181 16.61631 137.9168 19.48737 20.30130       25.60975 
1 1 1 9  9  34  o 66.33196 14.73061 0.3269788      0.1314089     0.3381144      0.1823537     0.3149490      0.1895348     66.87284 18.90647 64.81116 19.54976 2.061684       27.19646 
1 1 1 9  9  35  o 47.22366 14.81334 0.1596941      0.1075103     0.1642938      0.1457361     0.1542021      0.1592454     49.58559 17.30731 49.51870 18.00265 0.6689453E-01  24.97275 
1 1 1 9  9  36  o 74.91019 14.43996 0.4151286      0.1439484     0.5759929      0.1997895     0.2414720      0.2075814     87.58620 17.13329 58.98767 20.65195 28.59853       26.83380 
1 1 1 9  9  37  o 96.33843 13.48275 0.6755012      0.1744424     0.9174669      0.2461521     0.4313737      0.2472492     111.2528 16.52553 74.50946 22.29586 36.74334       27.75245 
1 1 1 9  9  38  o 51.27971 14.96772 0.1944304      0.1125716     0.2368967      0.1564686     0.1488635      0.1620802     56.67412 17.88426 49.04235 18.10998 7.631771       25.45227 
1 1 1 9  9  39  o 67.35902 15.20028 0.3410359      0.1380210     0.2254882      0.1919582     0.4647093      0.1985932     56.77087 19.86050 77.65727 18.73579 -20.88640      27.30328 
1 1 1 9  9  40  f 60.68441 17.18299 0.2796860      0.1505044     0.3367678      0.1782028     0.1376717      0.2810811     66.16966 18.68388 55.94641 22.88953 10.22325       29.54688 
1 1 1 9  9  41  o 126.3757 15.24586 1.178245       0.2606705     1.421388       0.3163875     0.6643919      0.4599467     137.9453 16.96793 88.36533 30.75220 49.57992       35.12276 
1 1 1 9  9  42  o 104.0651 21.35557 0.8566641      0.2965834     1.175277       0.4229904     0.5485506      0.4159625     118.5991 26.49706 81.61414 29.17034 36.98500       39.40815 
1 1 1 9  9  43  o 68.50278 22.09700 0.3689270      0.2378633     0.9187760      0.3473787     -0.1164600     0.3263815     105.6234 24.32068 48.31844 22.04674 57.30496       32.82612 
1 1 1 9  9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  9  45  o 53.17265 18.26218 0.2054305      0.1619457     0.1756570      0.2289406     0.2352484      0.2291110     54.13535 21.15136 58.06729 21.51387 -3.931938      30.16996 
1 1 1 9  9  46  o 35.05677 14.62354 0.3072992E-01  0.1177657     0.2553462E-01  0.1639919     0.3626195E-01  0.1692229     39.76730 16.95502 40.92610 17.32743 -1.158794      24.24278 
1 1 1 9  9  47  o 38.39026 15.62920 0.5735795E-01  0.1302356     -0.2177244     0.2012162     0.2556759      0.1708491     33.29470 15.86122 57.63818 18.73940 -24.34348      24.55083 
1 1 1 9  9  48  o 95.11727 14.40819 0.6809172      0.1833116     0.8283803      0.2587181     0.5322541      0.2597686     102.1994 19.03367 79.55711 22.59109 22.64226       29.54045 
1 1 1 9  9  49  o 128.1163 13.35404 1.216589       0.2327690     1.321658       0.3290798     1.111386       0.3292903     129.3392 18.99170 116.6719 21.22148 12.66739       28.47870 
1 1 1 9  9  50  o 46.70961 16.21123 0.1566414      0.1277747     0.1358523      0.1779519     0.1787665      0.1835809     47.75271 18.65053 51.21471 19.20178 -3.461994      26.76846 
1 1 1 9  9  51  o 83.53149 15.34380 0.5378821      0.1704570     0.5300654      0.2430234     0.5454516      0.2391485     79.21607 21.61563 80.62560 21.19967 -1.409531      30.27642 
1 1 1 9  9  52  o 67.61288 16.77912 0.3632401      0.1559117     0.4283450      0.2215213     0.2993310      0.2194777     71.43711 21.03821 61.13461 21.24492 10.30250       29.89905 
1 1 1 9  9  53  o 29.06620 12.92662 -0.2506612E-01 0.1042396     -0.2911672E-01 0.1477100     -0.2104748E-01 0.1471260     34.43442 15.34586 34.80611 15.42400 -0.3716850     21.75765 
1 1 1 9  9  54  o 70.61327 16.39658 0.3954539      0.1568067     0.3167177      0.2182522     0.4794607      0.2254388     62.18505 21.20338 75.26764 20.93138 -13.08259      29.79439 
1 1 1 9  9  55  o 115.2798 12.08462 0.9831388      0.1895038     1.269027       0.3095070     0.8116924      0.2396829     126.1020 18.31028 100.8211 17.87088 25.28094       25.58583 
1 1 1 9  9  56  o 66.50444 15.61449 0.3489595      0.1409377     0.2998046      0.2341397     0.3768898      0.1764936     60.86837 21.87148 67.81414 18.38609 -6.945770      28.57288 
1 1 1 9  9  57  o 25.81904 10.88051 0.1063270E-01  0.6622720E-01 0.1188203E-01  0.1382856     0.1026087E-01  0.7544158E-01 35.60632 15.38065 27.28661 11.56196 8.319714       19.24171 
1 1 1 9  9  58  o 29.97381 12.00225 0.3807847E-01  0.7540504E-01 0.1442612      0.1062466     -0.6968705E-01 0.1070355     44.17735 14.79522 26.80629 12.37542 17.37106       19.28859 
1 1 1 9  9  59  o 59.14963 13.33248 0.2694961      0.1062883     0.3171131      0.1499523     0.2214163      0.1506791     62.72700 16.92246 53.16549 17.61381 9.561512       24.42573 
1 1 1 9  9  60  o 66.98104 12.34312 0.3391895      0.1099541     0.3736327      0.1556160     0.3048500      0.1553812     68.24484 16.65934 61.32885 17.49189 6.915989       24.15574 
1 1 1 9  9  61  o 81.34769 12.26328 0.4958421      0.1334708     0.4726211      0.1907898     0.5180988      0.1867862     75.92020 18.39326 80.24584 17.36159 -4.325638      25.29302 
1 1 1 9  9  62  o 51.16661 13.87652 0.2028666      0.1005166     0.1426333      0.1433153     0.2611831      0.1410166     45.76244 17.00339 57.17566 16.77062 -11.41322      23.88240 
1 1 1 9  9  63  o 120.5983 10.86813 1.063754       0.1790369     0.9525269      0.2553530     1.171301       0.2510936     109.4556 17.48364 123.5861 15.02287 -14.13049      23.05134 
1 1 1 9  9  64  o 32.29359 13.81300 0.1329336E-01  0.1094791     -0.1749385E-01 0.1336610     0.7605381E-01  0.1908370     33.27896 14.72650 44.20134 18.54004 -10.92238      23.67706 
1 1 1 9  9  65  o 27.33793 11.76576 0.2325766E-02  0.8032455E-01 0.1485662E-01  0.9279349E-01 -0.3512883E-01 0.1604278     30.19404 12.81000 35.33493 15.85193 -5.140898      20.38087 
1 1 1 9  9  66  o 29.06515 12.40494 0.9692827E-02  0.8794896E-01 0.1338767E-01  0.9424383E-01 -0.1522668E-01 0.2447510     30.24345 12.87285 43.70438 19.59501 -13.46093      23.44515 
1 1 1 9  9  67  o 28.40853 12.19394 0.5899178E-02  0.8585782E-01 0.2002252E-01  0.1116030     -0.1458041E-01 0.1343902     32.91262 14.00863 33.38193 14.76961 -0.4693031     20.35640 
1 1 1 9  9  68  o 26.18601 11.67753 -0.2252998E-01 0.8568208E-01 -0.9270855E-01 0.1088113     0.9199996E-01  0.1390052     25.77954 12.09244 40.89748 16.32389 -15.11795      20.31493 
1 1 1 9  9  69  o 44.90784 15.94517 0.1498368      0.1240925     0.2231534      0.1497929     -0.1055624E-01 0.2215556     52.53326 17.56762 41.49128 18.62022 11.04198       25.59949 
1 1 1 9  9  70  o 34.20640 14.02452 0.4959681E-01  0.1057985     0.4762797E-01  0.1426590     0.5200314E-01  0.1577147     37.61686 15.91694 39.19167 16.66645 -1.574810      23.04603 
1 1 1 9  9  71  o 56.44008 17.88684 0.2734608      0.1563846     0.3057515      0.2022790     0.2254854      0.2465592     58.47995 20.39141 53.47850 21.60086 5.001446       29.70533 
1 1 1 9  9  72  o 21.32679 9.324476 -0.5340719E-02 0.5211796E-01 -0.5888041E-01 0.8465196E-01 0.2734233E-01  0.6613942E-01 23.39195 10.87084 27.06055 11.09099 -3.668604      15.53014 
1 1 1 9  9  73  o 45.59455 15.69661 0.1706069      0.1196743     0.1035329      0.1447011     0.3157942      0.2128918     40.64553 16.50221 57.46234 20.82679 -16.81681      26.57213 
1 1 1 9  9  74  o 46.98312 15.54247 0.1882502      0.1173398     0.2212212      0.1489171     0.1342560      0.1905688     49.87267 17.49023 44.26822 18.54544 5.604446       25.49199 
1 1 1 9  9  75  o 76.59637 14.90699 0.5008035      0.1519921     0.5962648      0.1927110     0.3436847      0.2472331     80.48041 17.81223 56.19858 21.97385 24.28183       28.28649 
1 1 1 9  9  76  o 59.32468 17.17976 0.3367667      0.1488275     0.3229513      0.1986069     0.3544600      0.2247585     54.79236 20.07658 55.90746 21.18372 -1.115093      29.18594 
1 1 1 9  9  77  o 34.16228 13.62403 0.8261733E-01  0.9675130E-01 0.1108434      0.1392193     0.5625128E-01  0.1345540     38.37621 15.94484 34.54316 15.04579 3.833054       21.92290 
1 1 1 9  9  78  o 47.82533 16.12436 0.2322666      0.1262018     0.2049562      0.1861906     0.2554774      0.1716477     43.77461 18.33453 47.45724 18.37762 -3.682632      25.95943 
1 1 1 9  9  79  o 62.01101 16.40582 0.4041086      0.1426504     0.4067874      0.2144648     0.4019831      0.1910376     52.62447 20.49650 54.67371 19.74222 -2.049236      28.45807 
1 1 1 9  9  80  o 39.73829 15.42215 0.1789541      0.1210835     0.1012502      0.1775712     0.2464829      0.1655373     34.80841 16.02298 42.62886 17.51773 -7.820457      23.74040 
1 1 1 9  9  81  o 33.87490 14.64030 0.1270315      0.1254236     0.7312656E-01  0.1731684     0.1865133      0.1819056     31.80958 15.02412 36.30697 16.52458 -4.497389      22.33352 
1 1 1 9  9  82  o 18.96894 9.347204 -0.1042039     0.8716768E-01 -0.8965296E-01 0.1289205     -0.1164581     0.1183094     23.18003 11.41164 21.64110 10.70599 1.538931       15.64749 
1 1 1 9  9  83  o 28.04380 13.24165 0.9339578E-01  0.1343392     0.6064304E-01  0.2139679     0.1147076      0.1725979     27.63339 13.79007 28.71182 13.93096 -1.078424      19.60199 
1 1 1 9  9  84  o 25.80634 12.21312 0.9314784E-01  0.1154728     0.8092365E-01  0.1575105     0.1073516      0.1697859     25.30279 12.48665 25.89878 12.81461 -0.5959892     17.89220 
1 1 1 9  9  85  o 24.38371 11.80484 0.1267279      0.1221869     0.3771676E-01  0.1658450     0.2324070      0.1807068     22.06897 11.15934 25.25913 12.61578 -3.190157      16.84307 
1 1 1 9  9  86  o 16.96939 8.522969 -0.4227621E-01 0.8811419E-01 -0.6234805E-02 0.1163376     -0.9077071E-01 0.1349477     18.59949 9.398040 17.71814 9.060944 0.8813515      13.05465 
1 1 1 9  9  87  o 19.55108 9.858604 0.1779518      0.1242879     0.5538292E-01  0.1702067     0.3179651      0.1819161     17.45585 8.992146 19.53928 10.02957 -2.083429      13.47038 
1 1 1 9  9  88  o 15.03317 7.686832 0.1922018E-01  0.9682441E-01 0.8686604E-01  0.1291998     -0.6744432E-01 0.1462385     15.75777 8.102968 14.58797 7.552177 1.169804       11.07671 
1 1 1 9  9  89  o 12.91569 6.663087 -0.3595224E-01 0.9948881E-01 -0.4169758E-01 0.1213706     -0.2418522E-01 0.1736955     13.06661 6.768154 13.35986 6.944833 -0.2932482     9.697351 
1 1 1 9  9  90  o 11.54030 5.978685 -0.7186126E-01 0.9587748E-01 0.7008333E-02  0.1168323     -0.2345179     0.1677815     12.19104 6.323612 11.60703 6.041736 0.5840063      8.745893 
1 1 1 9  9  91  o 11.10614 5.771276 0.2199976E-01  0.1151721     0.5253241E-01  0.1432713     -0.3377017E-01 0.1936320     11.19124 5.823452 11.01173 5.734493 0.1795120      8.172943 
1 1 1 9  9  92  o 9.104483 4.729910 -0.1098367     0.7532025E-01 -0.1079148     0.9198461E-01 -0.1137474     0.1312134     9.355367 4.865759 9.615393 5.006932 -0.2600260     6.981761 
1 1 1 9  9  93  o 8.705196 4.532804 0.5430624E-01  0.1529958     0.2034064E-01  0.2287486     0.8179957E-01  0.2058034     8.662338 4.501836 8.703141 4.526530 -0.4080296E-01 6.384042 
1 1 1 9  9  94  o 7.583622 3.940487 0.1894450      0.1806701     0.1520743E-01  0.2652593     0.3402213      0.2467552     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  95  o ?        ?        -0.2109476     0.5374856E-01 -0.2488648     0.1289775     -0.2029790     0.5912730E-01 ?        ?        5.838139 3.040430 0.000000       3.040430 
1 1 1 9  9  96  o ?        ?        0.6845114E-01  0.1588128     0.4911976E-01  0.2393973     0.8364509E-01  0.2122380     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  97  o ?        ?        0.5917487E-01  0.1556790     -0.8024751E-02 0.2362002     0.1107885      0.2070042     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  98  o ?        ?        -0.6239127E-01 0.2042509     -0.6239127E-01 0.2042509     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  99  o ?        ?        -0.1977794     0.1467532     -0.1977794     0.1467532     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  100 f ?        ?        -0.1748672     0.1601535     -0.1748672     0.1601535     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  9  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 3   o 123.1209 18.22279 1.124917       0.3004448     0.9754214      0.4205078     1.280816       0.4294186     109.9064 27.71411 127.7962 25.23014 -17.88978      37.47842 
1 1 1 9  10 4   o 50.28432 19.23175 0.1385141      0.1863331     0.000000       0.000000      0.1385141      0.1863331     ?        ?        50.28432 19.23175 0.000000       19.23175 
1 1 1 9  10 5   o ?        ?        -0.1716783     0.4601219E-01 0.000000       0.000000      -0.1716783     0.4601219E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 6   o 59.64367 21.85445 0.2293584      0.2353406     0.000000       0.000000      0.2293584      0.2353406     ?        ?        59.64367 21.85445 0.000000       21.85445 
1 1 1 9  10 7   o 131.5477 26.79709 1.377216       0.4702238     0.000000       0.000000      1.377216       0.4702238     ?        ?        131.5477 26.79709 0.000000       26.79709 
1 1 1 9  10 8   f 100.2943 26.50987 0.8069994      0.3726916     0.000000       0.000000      0.8069994      0.3726916     ?        ?        100.2943 26.50987 0.000000       26.50987 
1 1 1 9  10 9   o 148.3554 17.91105 1.623875       0.3594877     1.017992       0.4993109     2.275934       0.5179881     110.2382 31.32656 173.2115 22.16576 -62.97330      38.37543 
1 1 1 9  10 10  o 148.6181 17.67924 1.627567       0.3556866     1.772290       0.5050358     1.485136       0.5010219     150.6268 25.17003 136.0415 27.61478 14.58534       37.36451 
1 1 1 9  10 11  o 69.15356 23.64870 0.3488164      0.2715035     0.000000       0.000000      0.3488164      0.2715035     ?        ?        69.15356 23.64870 0.000000       23.64870 
1 1 1 9  10 12  o 90.19559 25.98017 0.6496292      0.3411748     0.000000       0.000000      0.6496292      0.3411748     ?        ?        90.19559 25.98017 0.000000       25.98017 
1 1 1 9  10 13  o 110.8603 26.82675 0.9918826      0.4062211     0.000000       0.000000      0.9918826      0.4062211     ?        ?        110.8603 26.82675 0.000000       26.82675 
1 1 1 9  10 14  o 130.8767 26.87570 1.374203       0.4694304     0.000000       0.000000      1.374203       0.4694304     ?        ?        130.8767 26.87570 0.000000       26.87570 
1 1 1 9  10 15  f 134.7923 26.96114 1.460023       0.4842840     0.000000       0.000000      1.460023       0.4842840     ?        ?        134.7923 26.96114 0.000000       26.96114 
1 1 1 9  10 16  o 98.60584 19.01737 0.7376277      0.2495509     1.133115       0.3458605     0.3081265      0.3604266     121.5138 21.39421 69.46803 26.70500 52.04578       34.21797 
1 1 1 9  10 17  o 145.1418 17.86163 1.563666       0.3504199     1.493869       0.4917915     1.635650       0.4994341     135.9747 27.14371 143.0949 26.24357 -7.120255      37.75587 
1 1 1 9  10 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 23  o 110.0799 26.15098 0.9966167      0.3916092     0.9966167      0.3916092     0.000000       0.000000      110.0799 26.15098 ?        ?        0.000000       26.15098 
1 1 1 9  10 24  o 130.7334 18.26734 1.290017       0.3207536     1.290017       0.3207536     0.000000       0.000000      130.7334 18.26734 ?        ?        0.000000       18.26734 
1 1 1 9  10 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 26  o 153.0960 26.33294 1.921789       0.5366019     1.921789       0.5366019     0.000000       0.000000      153.0960 26.33294 ?        ?        0.000000       26.33294 
1 1 1 9  10 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 29  o 94.37953 26.95012 0.7637498      0.3686242     0.000000       0.000000      0.7637498      0.3686242     ?        ?        94.37953 26.95012 0.000000       26.95012 
1 1 1 9  10 30  o 102.2238 26.99669 0.9008952      0.3867201     0.000000       0.000000      0.9008952      0.3867201     ?        ?        102.2238 26.99669 0.000000       26.99669 
1 1 1 9  10 31  f 50.48323 20.07326 0.1354215      0.2094584     0.000000       0.000000      0.1354215      0.2094584     ?        ?        50.48323 20.07326 0.000000       20.07326 
1 1 1 9  10 32  o 71.60182 17.60692 0.4010823      0.1728641     0.2832916      0.3213945     0.4490281      0.2050494     64.27173 25.07498 74.99866 19.58694 -10.72694      31.81828 
1 1 1 9  10 33  o 56.75417 19.51100 0.2404851      0.1848731     0.1290330      0.2873859     0.3191675      0.2414683     54.67219 22.82829 64.09861 22.28333 -9.426422      31.90107 
1 1 1 9  10 34  o 91.08076 20.85138 0.6735768      0.2565831     0.3573092      0.3796661     0.9394567      0.3481106     69.21837 27.18218 105.2897 24.41794 -36.07134      36.53911 
1 1 1 9  10 35  o 165.8689 14.54942 2.047657       0.3298669     2.009500       0.4055689     2.122234       0.5669929     160.7311 18.61847 155.9067 27.33408 4.824402       33.07264 
1 1 1 9  10 36  o 79.06185 17.69428 0.4937210      0.1883481     0.4007162      0.2309937     0.6782161      0.3253419     69.74519 21.68662 87.88163 25.38658 -18.13644      33.38844 
1 1 1 9  10 37  o 45.33876 15.57933 0.1468268      0.1178658     0.1037110      0.1618834     0.1954695      0.1719462     44.43940 17.65427 52.14874 18.74242 -7.709339      25.74785 
1 1 1 9  10 38  o 92.35525 14.47640 0.6461119      0.1785448     0.7246144      0.2518164     0.5667506      0.2531901     94.43327 19.93747 82.00797 21.93263 12.42531       29.64023 
1 1 1 9  10 39  o 65.22407 15.99497 0.3337435      0.1429551     0.3429488      0.1960434     0.3232904      0.2089072     64.86880 19.94727 63.15933 20.73088 1.709469       28.76913 
1 1 1 9  10 40  o 39.47589 15.12580 0.9031793E-01  0.1153950     0.5655826E-01  0.1540354     0.1334981      0.1742062     40.32281 16.76424 47.22853 18.45115 -6.905720      24.92959 
1 1 1 9  10 41  f 39.99344 15.14624 0.9674348E-01  0.1148641     0.4760307E-01  0.1545768     0.1573354      0.1716455     39.73722 16.67773 48.78923 18.50614 -9.052006      24.91232 
1 1 1 9  10 42  o 93.10356 14.60845 0.6616135      0.1816245     0.7730204      0.2549959     0.5468959      0.2587572     97.28590 19.65854 79.57494 22.52998 17.71096       29.90081 
1 1 1 9  10 43  o 48.74602 15.99301 0.1799133      0.1243357     0.3502488      0.1716941     -0.7916325E-02 0.1802955     65.63651 18.27163 38.94459 17.17509 26.69191       25.07661 
1 1 1 9  10 44  o 81.84772 15.56963 0.5218619      0.1695337     0.7529003      0.2382878     0.2850371      0.2412533     96.61160 18.53640 60.14681 22.11388 36.46478       28.85519 
1 1 1 9  10 45  f 73.40578 16.34264 0.4271515      0.1613919     0.2505664      0.2248409     0.6148426      0.2318036     57.32864 21.29811 86.02750 19.90833 -28.69886      29.15392 
1 1 1 9  10 46  o 89.46833 15.40729 0.6212886      0.1834731     0.8514879      0.2624772     0.4013442      0.2565642     102.0761 19.32988 68.18270 22.99045 33.89338       30.03673 
1 1 1 9  10 47  o 46.71450 16.57253 0.1577838      0.1340220     0.2723266      0.1923128     0.4962620E-01  0.1868757     58.22505 19.90327 42.45298 18.09970 15.77207       26.90240 
1 1 1 9  10 48  o 111.4112 14.14245 0.9431142      0.2126655     1.131938       0.3050972     0.7646706      0.2965921     117.7694 19.43985 93.23299 23.14567 24.53637       30.22631 
1 1 1 9  10 49  o 95.09145 15.12162 0.6990551      0.1919057     0.6361573      0.2697063     0.7635539      0.2731171     85.21413 22.56494 94.67087 21.39608 -9.456741      31.09612 
1 1 1 9  10 50  o 125.5536 13.83010 1.191123       0.2357918     1.204031       0.3301128     1.177678       0.3369111     120.3625 20.60331 118.2138 21.42907 2.148727       29.72711 
1 1 1 9  10 51  o 100.8439 14.80612 0.7815356      0.2000324     0.7492716      0.2805355     0.8149052      0.2853017     93.09835 22.14510 97.60972 21.72676 -4.511368      31.02350 
1 1 1 9  10 52  o 62.77995 17.64764 0.3200344      0.1593539     0.2547439      0.2221459     0.3892456      0.2287188     57.36823 21.19833 67.46581 21.65821 -10.09758      30.30589 
1 1 1 9  10 53  o 35.18398 14.46979 0.4538324E-01  0.1130553     0.1468170      0.1532869     -0.7560892E-01 0.1674143     46.66153 17.53600 34.27639 15.69650 12.38513       23.53490 
1 1 1 9  10 54  o 101.8335 15.15691 0.7998759      0.2066307     1.109075       0.2932660     0.4950497      0.2911850     117.1739 18.75843 74.09838 24.48260 43.07547       30.84277 
1 1 1 9  10 55  o 56.66759 17.37373 0.2571185      0.1488467     0.3563857      0.2082510     0.1534423      0.2128256     65.07735 20.64277 50.28948 20.15442 14.78786       28.85003 
1 1 1 9  10 56  o 100.9678 15.20477 0.7884629      0.2054081     1.089916       0.2970316     0.5121736      0.2843641     115.4956 19.30664 75.25816 24.14847 40.23746       30.91755 
1 1 1 9  10 57  o 95.81332 15.58544 0.7162347      0.1991098     0.9662673      0.2890305     0.4904072      0.2746843     107.7085 20.17512 73.78461 23.74003 33.92386       31.15485 
1 1 1 9  10 58  o 75.81460 16.77951 0.4627700      0.1710134     0.5044563      0.2433840     0.4221188      0.2403436     75.66985 21.98586 69.30543 22.19684 6.364426       31.24224 
1 1 1 9  10 59  f 30.15696 13.35909 -0.1779444E-01 0.1102753     -0.4046573E-01 0.1534566     0.6414400E-02  0.1585749     34.15150 15.39634 37.15948 16.25533 -3.007984      22.38935 
1 1 1 9  10 60  o 115.5269 14.54767 1.032461       0.2269216     0.9671351      0.3193938     1.099047       0.3224595     104.0003 22.86386 112.5720 21.52926 -8.571739      31.40486 
1 1 1 9  10 61  o 43.29931 15.13340 0.1387928      0.1114425     0.9954130E-01  0.1855775     0.1609313      0.1393709     44.48177 18.43934 46.53669 16.85353 -2.054913      24.98101 
1 1 1 9  10 62  o 69.07979 13.16428 0.3717586      0.1209855     0.2795080      0.1696076     0.4673277      0.1726312     57.32860 18.67277 74.97839 17.05850 -17.64979      25.29160 
1 1 1 9  10 63  o 50.48671 14.61515 0.2061077      0.1077272     0.3060461      0.1710141     0.1403619      0.1387074     59.29418 18.69556 44.14882 16.66235 15.14536       25.04313 
1 1 1 9  10 64  o 48.66623 14.85427 0.1935206      0.1089520     0.1740417      0.1717817     0.2066298      0.1409231     47.67724 18.40661 49.85831 17.03774 -2.181076      25.08163 
1 1 1 9  10 65  o 68.34277 17.96248 0.4147083      0.1717357     0.4036059      0.2200622     0.4320019      0.2746518     64.37978 21.28422 64.34415 23.60436 0.3562927E-01  31.78339 
1 1 1 9  10 66  o 39.05931 14.30012 0.1140203      0.1007319     0.5089449E-01  0.1213352     0.2540181      0.1806941     34.96972 14.73154 52.81862 19.18066 -17.84890      24.18503 
1 1 1 9  10 67  o 27.26647 11.77732 0.1092386E-01  0.8106985E-01 -0.4959944E-01 0.9708792E-01 0.1503121      0.1473388     25.48107 11.77158 43.57656 16.98418 -18.09548      20.66477 
1 1 1 9  10 68  o 48.37041 14.91207 0.2045692      0.1094827     0.2845820      0.1681736     0.1457157      0.1442328     53.99160 18.60621 42.57900 16.74333 11.41261       25.03059 
1 1 1 9  10 69  o 38.97359 14.83715 0.1221232      0.1105860     0.9252735E-01  0.1503991     0.1569561      0.1631640     38.35807 16.29278 43.05553 17.50722 -4.697464      23.91563 
1 1 1 9  10 70  o 50.45225 16.30166 0.2480776      0.1294157     0.3558571      0.1771715     0.1247869      0.1894920     56.98773 19.10551 40.78770 17.80787 16.20004       26.11782 
1 1 1 9  10 71  o 41.14101 14.85418 0.1591179      0.1081455     0.8460712E-01  0.1369545     0.2825318      0.1762580     35.59410 15.34102 49.31128 18.74141 -13.71718      24.21956 
1 1 1 9  10 72  f 40.44137 14.98294 0.1635627      0.1111208     0.1356546      0.1388320     0.2133145      0.1853653     37.91102 15.85133 42.54504 18.07992 -4.634022      24.04471 
1 1 1 9  10 73  o 27.22578 12.09317 0.2606406E-01  0.9095903E-01 0.5813689E-01  0.1131465     -0.3253162E-01 0.1529345     30.81944 13.59812 28.93729 13.79713 1.882149       19.37188 
1 1 1 9  10 74  o 50.25628 16.63704 0.3224959      0.1344402     0.2485947      0.1664768     0.4610493      0.2279483     40.82234 17.22948 47.69848 20.14794 -6.876141      26.51027 
1 1 1 9  10 75  o 27.29207 12.73305 0.2998782E-01  0.1179655     0.5069034E-01  0.1413812     -0.1745216E-01 0.2140190     29.05942 13.67929 29.13549 14.41100 -0.7607079E-01 19.86958 
1 1 1 9  10 76  o 35.37111 15.82132 0.2448736      0.1585579     0.1658015      0.1904657     0.4233772      0.2861729     31.19025 15.00988 34.62124 17.03605 -3.430990      22.70514 
1 1 1 9  10 77  o 34.73361 15.87905 0.3232040      0.1703483     0.2825111      0.2049914     0.4140185      0.3062339     31.17724 15.13980 30.46322 15.37527 0.7140198      21.57806 
1 1 1 9  10 78  o 24.50760 11.69095 0.8283038E-01  0.1100955     0.8388768E-01  0.1245634     0.7905557E-01  0.2353636     24.46898 11.86370 24.31877 12.39607 0.1502132      17.15838 
1 1 1 9  10 79  o 23.98595 11.58410 0.1376613      0.1158776     0.2614041      0.1574927     -0.8394136E-02 0.1711036     25.62055 12.61309 20.68207 10.54469 4.938477       16.44021 
1 1 1 9  10 80  o 18.17884 9.135744 0.1150081E-01  0.1019916     -0.2007599     0.1363926     0.2807471      0.1536140     16.11629 8.289144 22.65147 11.35966 -6.535183      14.06243 
1 1 1 9  10 81  o 19.56250 9.878803 0.2117473      0.1274298     0.2263236      0.1757197     0.1955786      0.1850694     18.39196 9.457156 18.02058 9.287312 0.3713779      13.25488 
1 1 1 9  10 82  o 16.06929 8.263164 0.1515926      0.1343621     0.1667450      0.1637672     0.1203889      0.2350120     15.81381 8.172153 15.27283 7.940880 0.5409832      11.39481 
1 1 1 9  10 83  f 12.84793 6.626416 -0.3367832E-01 0.9723164E-01 0.3296445E-01  0.1178531     -0.1757278     0.1720617     13.50939 6.979661 12.79320 6.653802 0.7161884      9.643067 
1 1 1 9  10 84  o 12.70916 6.591516 0.9744999E-01  0.1257477     0.6558473E-01  0.1533283     0.1629123      0.2197653     12.46187 6.478861 12.55765 6.538610 -0.9578037E-01 9.204839 
1 1 1 9  10 85  o 11.25722 5.847541 0.2800556E-01  0.1136266     0.1749782      0.1392634     -0.2646798     0.1965257     11.74260 6.105549 10.79052 5.619461 0.9520864      8.297956 
1 1 1 9  10 86  o 10.07211 5.238778 0.1525036E-01  0.1082235     0.5769293E-01  0.1314306     -0.7412933E-01 0.1907282     10.18404 5.301433 9.967771 5.190322 0.2162676      7.419208 
1 1 1 9  10 87  o 8.980532 4.676929 0.6337428E-01  0.1412034     0.3908879      0.2255976     -0.1475740     0.1810539     9.143635 4.755613 8.755846 4.557092 0.3877888      6.586574 
1 1 1 9  10 88  o 7.830296 4.076390 0.2492425E-01  0.7844543E-01 0.6529111E-01  0.1176649     -0.7372480E-02 0.1052479     7.864435 4.095373 7.748503 4.035357 0.1159315      5.749451 
1 1 1 9  10 89  o ?        ?        0.2494372      0.1609883     0.2781262      0.2026537     0.2003628      0.2650480     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 90  o 5.677914 2.953396 -0.1278722     0.8572725E-01 -0.9109874E-01 0.1137554     -0.1762085     0.1304191     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 91  o ?        ?        0.3035874      0.1982464     0.1936665      0.2813021     0.4120522      0.2794328     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 92  o ?        ?        -0.3369288     0.6103004E-01 -0.3369288     0.6103004E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 93  o ?        ?        -0.1857571     0.1077387     -0.1857571     0.1077387     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 94  o ?        ?        0.2205802      0.2639591     0.2205802      0.2639591     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 95  o ?        ?        -0.5108105E-01 0.1779592     -0.5108105E-01 0.1779592     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  10 96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 3   o 88.76154 27.06793 0.6992495      0.3618973     0.6992495      0.3618973     0.000000       0.000000      88.76154 27.06793 ?        ?        0.000000       27.06793 
1 1 1 9  11 4   o 56.03902 21.58140 0.2060015      0.2356945     0.000000       0.000000      0.2060015      0.2356945     ?        ?        56.03902 21.58140 0.000000       21.58140 
1 1 1 9  11 5   o 37.31887 16.16978 0.3660189E-02  0.1537806     0.000000       0.000000      0.3660189E-02  0.1537806     ?        ?        37.31887 16.16978 0.000000       16.16978 
1 1 1 9  11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 10  o 65.26560 20.64264 0.3425030      0.2083646     0.3425030      0.2083646     0.000000       0.000000      65.26560 20.64264 ?        ?        0.000000       20.64264 
1 1 1 9  11 11  o 39.29913 17.19797 -0.4146507E-02 0.1776519     0.000000       0.000000      -0.4146507E-02 0.1776519     ?        ?        39.29913 17.19797 0.000000       17.19797 
1 1 1 9  11 12  o 18.02765 8.811642 -0.1329519     0.7268217E-01 0.000000       0.000000      -0.1329519     0.7268217E-01 ?        ?        18.02765 8.811642 0.000000       8.811642 
1 1 1 9  11 13  o 13.63069 6.871902 -0.1904203     0.6022431E-01 0.000000       0.000000      -0.1904203     0.6022431E-01 ?        ?        13.63069 6.871902 0.000000       6.871902 
1 1 1 9  11 14  o 55.12093 21.77058 0.1903126      0.2448503     0.000000       0.000000      0.1903126      0.2448503     ?        ?        55.12093 21.77058 0.000000       21.77058 
1 1 1 9  11 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 18  o 43.04648 18.17489 0.5430808E-01  0.1853576     0.5430808E-01  0.1853576     0.000000       0.000000      43.04648 18.17489 ?        ?        0.000000       18.17489 
1 1 1 9  11 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 22  o 42.13921 18.44761 0.8604549E-02  0.2045736     0.000000       0.000000      0.8604549E-02  0.2045736     ?        ?        42.13921 18.44761 0.000000       18.44761 
1 1 1 9  11 23  o 52.60160 21.47563 0.1534259      0.2467737     0.000000       0.000000      0.1534259      0.2467737     ?        ?        52.60160 21.47563 0.000000       21.47563 
1 1 1 9  11 24  o ?        ?        -0.2720409     0.6376981E-01 0.000000       0.000000      -0.2720409     0.6376981E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 25  o 82.73817 21.96548 0.5850582      0.2551442     0.6049945      0.3647629     0.5659592      0.3570185     80.43312 27.41146 78.24920 27.10146 2.183922       38.54708 
1 1 1 9  11 26  o 55.69186 20.04733 0.2357353      0.1967956     0.3463011      0.2712073     0.1127759      0.2860038     64.82055 23.50480 52.51369 22.39028 12.30685       32.46228 
1 1 1 9  11 27  o 59.08686 17.34104 0.2790164      0.1507345     0.4280346      0.1828829     -0.3667090E-01 0.2661841     72.55912 18.26596 44.96601 20.27415 27.59311       27.28894 
1 1 1 9  11 28  o 37.16534 17.07838 -0.9191530E-01 0.2005510     -0.9191530E-01 0.2005510     0.000000       0.000000      37.16534 17.07838 ?        ?        0.000000       17.07838 
1 1 1 9  11 29  o 89.24407 28.88712 0.7844409      0.4062430     0.7844409      0.4062430     0.000000       0.000000      89.24407 28.88712 ?        ?        0.000000       28.88712 
1 1 1 9  11 30  o 22.79086 11.25593 -0.2646409     0.1288724     -0.2646409     0.1288724     0.000000       0.000000      22.79086 11.25593 ?        ?        0.000000       11.25593 
1 1 1 9  11 31  o 48.03165 20.78193 0.6267487E-01  0.2532958     0.6267487E-01  0.2532958     0.000000       0.000000      48.03165 20.78193 ?        ?        0.000000       20.78193 
1 1 1 9  11 32  o 56.06969 20.14584 0.2433461      0.1986472     0.3351102      0.3057740     0.1763350      0.2612987     64.18190 24.61503 54.08385 22.09174 10.09805       33.07484 
1 1 1 9  11 33  o 77.03798 21.84937 0.5135267      0.2431425     0.3989211      0.3632033     0.6065959      0.3273031     68.25767 26.64885 80.69358 25.90919 -12.43591      37.16782 
1 1 1 9  11 34  o 74.90127 21.61077 0.4839018      0.2358890     0.3827602E-01  0.3404607     0.8953224      0.3271333     52.11842 23.25720 100.4605 23.92520 -48.34211      33.36633 
1 1 1 9  11 35  o 116.6492 15.85893 1.055739       0.2488209     0.7916902      0.3032140     1.600178       0.4353927     94.76262 23.32884 135.0192 24.24429 -40.25655      33.64551 
1 1 1 9  11 36  o 87.27563 17.55277 0.6116527      0.2042016     0.4963975      0.2486987     0.8501291      0.3577386     75.37458 22.31728 95.25266 26.32291 -19.87808      34.51024 
1 1 1 9  11 37  o 61.35330 18.09836 0.3065529      0.1638172     0.2731986      0.1995229     0.3755484      0.2869638     58.33152 20.25695 66.24220 24.15381 -7.910679      31.52381 
1 1 1 9  11 38  o 80.40311 18.07907 0.5255668      0.1958453     0.4394541      0.2394141     0.6997352      0.3404871     71.19839 22.06848 86.20458 26.24768 -15.00619      34.29225 
1 1 1 9  11 39  o 63.02020 18.57835 0.3256891      0.1726699     0.1212431      0.2095119     0.7585995      0.3048727     48.18964 19.74413 92.29374 23.77622 -44.10410      30.90532 
1 1 1 9  11 40  o 75.12780 18.30629 0.4616171      0.1881645     0.4794483      0.2300487     0.4255754      0.3270644     74.77274 21.26894 69.42915 25.70840 5.343582       33.36600 
1 1 1 9  11 41  o 74.72749 17.79194 0.4530812      0.1809480     0.3654954      0.2268860     0.6061496      0.2999395     65.68684 21.60666 81.65656 24.58462 -15.96971      32.72997 
1 1 1 9  11 42  o 131.3624 20.03566 1.415504       0.3519194     1.415504       0.3519194     0.000000       0.000000      131.3624 20.03566 ?        ?        0.000000       20.03566 
1 1 1 9  11 43  o 79.99641 21.50437 0.5508313      0.2426603     0.5508313      0.2426603     0.000000       0.000000      79.99641 21.50437 ?        ?        0.000000       21.50437 
1 1 1 9  11 44  o 50.04433 17.99485 0.1846628      0.1585213     0.3337073      0.1873128     -0.1914861     0.2975702     63.43119 19.49685 42.06007 19.81325 21.37112       27.79734 
1 1 1 9  11 45  o 63.10942 18.41543 0.3272511      0.1704260     0.4930741      0.2022676     -0.7860251E-01 0.3164381     77.05414 19.10500 46.65693 21.44463 30.39721       28.72060 
1 1 1 9  11 46  o 60.56687 18.83744 0.3016624      0.1742727     0.4177145      0.2092624     0.3901934E-01  0.3148093     70.04732 20.39638 50.45625 22.45069 19.59106       30.33226 
1 1 1 9  11 47  o 40.68396 15.97167 0.9410764E-01  0.1310408     0.4057491      0.1567423     -0.6294023     0.2388255     71.17049 16.30012 27.81275 13.97760 43.35774       21.47247 
1 1 1 9  11 48  o 59.37249 18.81967 0.2913239      0.1731152     0.5275464      0.2100922     -0.2082805     0.3055360     79.16176 19.37683 41.84036 19.82013 37.32140       27.71820 
1 1 1 9  11 49  o 57.35478 18.55537 0.2708155      0.1676329     0.4492108      0.2048705     -0.9058516E-01 0.2915965     72.35905 19.88881 44.06561 20.37241 28.29344       28.47104 
1 1 1 9  11 50  o 53.36815 16.83800 0.2301666      0.1387015     0.2748288      0.1962472     0.1855894      0.1960600     57.47305 20.08255 50.81043 19.65087 6.662617       28.09743 
1 1 1 9  11 51  o 49.55487 16.48395 0.1946432      0.1319195     0.3248462      0.1932437     0.8101005E-01  0.1805292     61.32833 19.92930 42.97387 18.02915 18.35447       26.87429 
1 1 1 9  11 52  o 35.91430 15.04876 0.4584230E-01  0.1255227     0.2015832      0.1536836     -0.2662454     0.2175526     50.26896 17.75587 32.41684 15.70794 17.85212       23.70675 
1 1 1 9  11 53  o 28.78719 13.10310 -0.4408765E-01 0.1144042     -0.3016329E-01 0.1379684     -0.7473297E-01 0.2046794     32.41252 14.60681 37.00907 17.09533 -4.596546      22.48576 
1 1 1 9  11 54  o 33.89988 15.39497 -0.3652611E-01 0.1567785     -0.2380248     0.2241745     0.1563770      0.2193410     33.34484 16.10599 48.41629 20.05657 -15.07145      25.72292 
1 1 1 9  11 55  o 36.53806 16.34081 -0.1189295E-02 0.1690726     0.8463694E-01  0.2346360     -0.9388019E-01 0.2438390     45.03725 19.73543 38.80475 18.17020 6.232502       26.82617 
1 1 1 9  11 56  o 42.60663 18.14155 0.9563354E-01  0.1872973     0.4244382      0.2758518     -0.1856021     0.2551184     63.32839 23.57813 36.61094 17.55392 26.71746       29.39504 
1 1 1 9  11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 58  o 27.08065 12.84112 -0.1036423     0.1288780     -0.1036423     0.1288780     0.000000       0.000000      27.08065 12.84112 ?        ?        0.000000       12.84112 
1 1 1 9  11 59  o 39.50674 17.56986 0.5973424E-01  0.1925753     0.5973424E-01  0.1925753     0.000000       0.000000      39.50674 17.56986 ?        ?        0.000000       17.56986 
1 1 1 9  11 60  f 43.08863 16.63998 0.1613815      0.1404216     0.2995477      0.1744248     -0.9309646E-01 0.2367187     53.95288 18.92855 35.90694 17.13268 18.04594       25.53074 
1 1 1 9  11 61  o 14.43777 7.226408 -0.1546486     0.6074792E-01 -0.1203933     0.8478444E-01 -0.1907862     0.8708272E-01 19.84695 9.660458 17.85041 8.890231 1.996538       13.12862 
1 1 1 9  11 62  o 40.04570 15.14273 0.1454340      0.1146994     0.1787098      0.1654313     0.1146300      0.1591688     42.74672 17.53283 38.60986 16.58863 4.136860       24.13675 
1 1 1 9  11 63  o 31.24907 13.28064 0.5728960E-01  0.1000315     0.6976797E-01  0.1418782     0.4495521E-01  0.1410573     34.43324 15.20807 33.03030 14.83787 1.402935       21.24730 
1 1 1 9  11 64  o 28.45493 12.53220 0.3161593E-01  0.9567700E-01 0.3100873E-01  0.1355703     0.3221845E-01  0.1350467     31.19084 14.22293 31.22116 14.22074 -0.3031540E-01 20.11271 
1 1 1 9  11 65  o 26.14306 11.86045 0.1034440E-01  0.9275492E-01 -0.4750787E-01 0.1309883     0.6852826E-01  0.1313631     26.59390 12.70442 31.89258 14.32339 -5.298674      19.14581 
1 1 1 9  11 66  o 25.10773 11.34839 0.1600018E-01  0.8399758E-01 0.6844222E-01  0.1317630     -0.1990253E-01 0.1090228     30.75768 14.02401 25.26039 11.92784 5.497293       18.41049 
1 1 1 9  11 67  o 27.28778 12.12736 0.5313123E-01  0.9159561E-01 0.2183284      0.1417663     -0.6524713E-01 0.1200073     37.64373 15.89430 23.58077 11.48125 14.06295       19.60734 
1 1 1 9  11 68  o 30.89375 13.36852 0.1225670      0.1048413     0.3335785E-01  0.1605019     0.1889596      0.1384634     27.28136 13.28188 33.64631 14.93396 -6.364952      19.98578 
1 1 1 9  11 69  f 19.52794 9.451074 -0.3873865E-01 0.7816603E-01 0.9029604E-01  0.1189837     -0.1367097     0.1036772     27.17279 12.71372 18.75468 9.394918 8.418112       15.80833 
1 1 1 9  11 70  o 24.36431 11.36587 0.7026119E-01  0.9395197E-01 0.2172456E-01  0.1171154     0.1578922      0.1573649     22.75368 11.13510 26.72778 13.04278 -3.974094      17.14948 
1 1 1 9  11 71  o 18.89655 9.265148 -0.1382935E-01 0.8225383E-01 -0.6060125E-01 0.1012288     0.7706177E-01  0.1411147     18.52033 9.278375 22.61913 11.27357 -4.098797      14.60074 
1 1 1 9  11 72  o 20.18703 9.845408 0.5485359E-01  0.8930863E-01 0.1306770      0.1104551     -0.8831078E-01 0.1517755     22.38787 10.92546 18.37003 9.410781 4.017847       14.41973 
1 1 1 9  11 73  o 19.88060 9.855899 0.1217805      0.1022375     0.1200451      0.1279504     0.1248451      0.1700336     19.15416 9.698762 18.69550 9.601857 0.4586658      13.64777 
1 1 1 9  11 74  o 13.27533 6.757391 -0.6969675E-01 0.6805198E-01 -0.1012972     0.8274876E-01 -0.3665645E-02 0.1196160     13.47715 6.907232 15.61023 8.018684 -2.133079      10.58344 
1 1 1 9  11 75  o 12.55378 6.438014 -0.7674225E-01 0.7312895E-01 -0.3905410E-01 0.8139042E-01 -0.2346281     0.1665875     13.39829 6.865729 13.45212 6.989542 -0.5383110E-01 9.797547 
1 1 1 9  11 76  o 13.33409 6.871823 0.4507973E-01  0.1012067     -0.3322903E-01 0.1131612     0.3580740      0.2262354     12.72145 6.587645 13.84525 7.205374 -1.123796      9.762914 
1 1 1 9  11 77  o 12.40717 6.413264 0.5479467E-01  0.1021924     0.7605536E-01  0.1146009     -0.2774250E-01 0.2258002     12.48760 6.471633 12.08600 6.294055 0.4015913      9.027578 
1 1 1 9  11 78  o 11.20916 5.816618 0.3071056E-01  0.1019347     -0.5603360E-01 0.1140434     0.3753579      0.2273199     10.81140 5.620111 11.58627 6.033904 -0.7748756     8.245826 
1 1 1 9  11 79  f 9.719521 5.049038 -0.5138908E-01 0.8507045E-01 -0.6334068E-01 0.9453540E-01 -0.5093024E-03 0.1950536     9.735246 5.061716 10.09314 5.255788 -0.3578949     7.296868 
1 1 1 9  11 80  o 9.380928 4.884639 0.1601497      0.1214192     0.2839639      0.1371876     -0.2874787     0.2608485     9.544991 4.970678 ?        ?        0.000000       4.970678 
1 1 1 9  11 81  o 8.033013 4.183401 0.1694312E-01  0.1157705     -0.8902948E-01 0.1748756     0.9962299E-01  0.1544658     7.952846 4.136064 8.109616 4.220625 -0.1567702     5.909374 
1 1 1 9  11 82  o ?        ?        0.2093575      0.1781176     0.1795311      0.2477398     0.2412731      0.2562693     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 83  o ?        ?        -0.2181295     0.4426881E-01 -0.2304436     0.5577584E-01 -0.1971672     0.7277218E-01 ?        ?        5.795653 3.017279 0.000000       3.017279 
1 1 1 9  11 84  o ?        ?        -0.1014917     0.9749880E-01 -0.1251476     0.1331912     -0.7418099E-01 0.1431108     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 85  o ?        ?        -0.5546923E-01 0.1578017     -0.5546923E-01 0.1578017     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 86  o ?        ?        0.4538157      0.3109082     0.4538157      0.3109082     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 87  o ?        ?        0.1625320      0.2371181     0.1625320      0.2371181     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 88  o ?        ?        -0.1499564     0.1149964     -0.1499564     0.1149964     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 89  o ?        ?        -0.1283436     0.1350539     -0.1283436     0.1350539     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  11 90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 3   o 80.51233 27.17095 0.6195014      0.3583558     0.6195014      0.3583558     0.000000       0.000000      80.51233 27.17095 ?        ?        0.000000       27.17095 
1 1 1 9  12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 5   f 62.16298 23.06947 0.3139609      0.2636570     0.000000       0.000000      0.3139609      0.2636570     ?        ?        62.16298 23.06947 0.000000       23.06947 
1 1 1 9  12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 10  o 53.90503 22.08814 0.1734762      0.2622455     0.1734762      0.2622455     0.000000       0.000000      53.90503 22.08814 ?        ?        0.000000       22.08814 
1 1 1 9  12 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 13  o 45.52302 19.07928 0.8399267E-01  0.2018387     0.000000       0.000000      0.8399267E-01  0.2018387     ?        ?        45.52302 19.07928 0.000000       19.07928 
1 1 1 9  12 14  o 28.09064 13.33076 -0.1435591     0.1394418     0.000000       0.000000      -0.1435591     0.1394418     ?        ?        28.09064 13.33076 0.000000       13.33076 
1 1 1 9  12 15  o 45.52901 19.52951 0.5976903E-01  0.2199637     0.000000       0.000000      0.5976903E-01  0.2199637     ?        ?        45.52901 19.52951 0.000000       19.52951 
1 1 1 9  12 16  f 52.91662 21.62173 0.1649627      0.2503971     0.000000       0.000000      0.1649627      0.2503971     ?        ?        52.91662 21.62173 0.000000       21.62173 
1 1 1 9  12 17  o 54.38981 22.14231 0.1826874      0.2613904     0.000000       0.000000      0.1826874      0.2613904     ?        ?        54.38981 22.14231 0.000000       22.14231 
1 1 1 9  12 18  o 87.06653 21.99538 0.6543628      0.2645251     0.8150904      0.3790202     0.5017264      0.3693568     91.94595 27.62574 73.64860 27.31027 18.29736       38.84627 
1 1 1 9  12 19  o 54.29551 19.84316 0.2219789      0.1938361     -0.1186576     0.2724709     0.5710183      0.2758110     42.39323 19.63219 80.14344 23.43897 -37.75021      30.57463 
1 1 1 9  12 20  o 79.98395 27.32169 0.6107504      0.3623861     0.000000       0.000000      0.6107504      0.3623861     ?        ?        79.98395 27.32169 0.000000       27.32169 
1 1 1 9  12 21  o 47.88801 20.10172 0.9829092E-01  0.2246188     0.000000       0.000000      0.9829092E-01  0.2246188     ?        ?        47.88801 20.10172 0.000000       20.10172 
1 1 1 9  12 22  o ?        ?        -0.4392299     0.6342152E-01 0.000000       0.000000      -0.4392299     0.6342152E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 23  o 51.52090 21.32720 0.1412734      0.2477546     0.000000       0.000000      0.1412734      0.2477546     ?        ?        51.52090 21.32720 0.000000       21.32720 
1 1 1 9  12 24  o 66.68313 24.99084 0.3790092      0.3108975     0.000000       0.000000      0.3790092      0.3108975     ?        ?        66.68313 24.99084 0.000000       24.99084 
1 1 1 9  12 25  o 36.80614 16.72675 -0.6146972E-01 0.1854995     0.000000       0.000000      -0.6146972E-01 0.1854995     ?        ?        36.80614 16.72675 0.000000       16.72675 
1 1 1 9  12 26  o 40.62780 18.18134 -0.2570891E-01 0.2096573     0.000000       0.000000      -0.2570891E-01 0.2096573     ?        ?        40.62780 18.18134 0.000000       18.18134 
1 1 1 9  12 27  o 52.83473 19.63058 0.2051973      0.1910210     0.3614133      0.2681068     0.4414037E-01  0.2722293     65.17973 23.40598 48.27482 21.20333 16.90491       31.58197 
1 1 1 9  12 28  f 40.49427 17.30066 0.3983527E-01  0.1713855     0.3019654      0.2582186     -0.1665656     0.2291315     61.14133 22.80257 37.06824 17.43874 24.07309       28.70657 
1 1 1 9  12 29  o 38.26348 16.67849 0.1049374E-01  0.1656132     0.2010323      0.2491472     -0.1403447     0.2216769     54.65759 21.84135 37.20831 17.39142 17.44929       27.91963 
1 1 1 9  12 30  o 50.89181 19.53863 0.1797720      0.1927846     0.1930584      0.2910070     0.1693804      0.2573602     55.80606 23.10857 53.17231 21.84547 2.633743       31.79986 
1 1 1 9  12 31  o 25.88857 12.26375 -0.1192262     0.1169816     -0.2037917     0.2002655     -0.7542676E-01 0.1441266     32.98994 15.74572 31.46434 14.46576 1.525595       21.38190 
1 1 1 9  12 32  o 41.16552 17.49563 0.5126673E-01  0.1736133     0.2879605      0.2679237     -0.1200604     0.2279453     59.98688 23.03292 38.32066 17.81857 21.66622       29.12073 
1 1 1 9  12 33  o 40.89877 17.34911 0.5288548E-01  0.1701675     0.7386767E-01  0.2640005     0.3797160E-01  0.2225741     48.53714 21.10839 44.19299 19.29708 4.344151       28.59968 
1 1 1 9  12 34  o 61.84019 21.42806 0.3274115      0.2232005     0.3685301      0.3360333     0.2949477      0.2985816     64.93147 25.54899 60.55935 24.00207 4.372112       35.05496 
1 1 1 9  12 35  o 50.21173 17.79534 0.1947260      0.1544922     0.1181760      0.3009796     0.2221100      0.1800167     52.01107 22.57860 53.10695 19.16618 -1.095879      29.61648 
1 1 1 9  12 36  o 52.45641 18.22770 0.2201018      0.1615622     0.2731639      0.2926962     0.1968506      0.1937527     58.73143 23.60099 51.41360 19.62343 7.317829       30.69341 
1 1 1 9  12 37  f 32.19599 14.50095 -0.3404345E-01 0.1357495     -0.4327710     0.2205985     0.2089708      0.1722187     29.13322 14.44891 51.52208 18.72304 -22.38887      23.65002 
1 1 1 9  12 38  o 30.75191 14.27942 -0.8613726E-01 0.1455771     -0.1997373     0.2281034     -0.8069519E-02 0.1890942     35.18872 16.79775 38.69711 17.29564 -3.508396      24.11024 
1 1 1 9  12 39  o 42.86029 16.71175 0.1209308      0.1426942     0.1786682      0.1868726     0.4018554E-01  0.2209915     49.18360 19.13921 43.16416 19.02653 6.019440       26.98737 
1 1 1 9  12 40  o 35.70104 14.88559 0.5088147E-01  0.1219463     0.5088147E-01  0.1219463     0.000000       0.000000      35.70104 14.88559 ?        ?        0.000000       14.88559 
1 1 1 9  12 41  o 41.20863 17.38013 0.7956564E-01  0.1692065     0.7956564E-01  0.1692065     0.000000       0.000000      41.20863 17.38013 ?        ?        0.000000       17.38013 
1 1 1 9  12 42  o 29.34587 13.80626 -0.1040679     0.1436418     -0.1040679     0.1436418     0.000000       0.000000      29.34587 13.80626 ?        ?        0.000000       13.80626 
1 1 1 9  12 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 44  o 41.49149 18.55801 0.4125778E-01  0.2181257     0.000000       0.000000      0.4125778E-01  0.2181257     ?        ?        41.49149 18.55801 0.000000       18.55801 
1 1 1 9  12 45  o 51.46723 21.41650 0.2363539      0.2517086     0.000000       0.000000      0.2363539      0.2517086     ?        ?        51.46723 21.41650 0.000000       21.41650 
1 1 1 9  12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 47  o 50.45960 22.01671 0.2387538      0.2892415     0.2387538      0.2892415     0.000000       0.000000      50.45960 22.01671 ?        ?        0.000000       22.01671 
1 1 1 9  12 48  o 52.54285 20.01438 0.2892537      0.2012976     0.2892537      0.2012976     0.000000       0.000000      52.54285 20.01438 ?        ?        0.000000       20.01438 
1 1 1 9  12 49  o 38.85712 16.65480 0.9693463E-01  0.1597523     0.9693463E-01  0.1597523     0.000000       0.000000      38.85712 16.65480 ?        ?        0.000000       16.65480 
1 1 1 9  12 50  o 25.14871 11.84502 -0.6606887E-01 0.1062794     -0.6606887E-01 0.1062794     0.000000       0.000000      25.14871 11.84502 ?        ?        0.000000       11.84502 
1 1 1 9  12 51  o 41.37003 17.12404 0.1606408      0.1597066     0.1606408      0.1597066     0.000000       0.000000      41.37003 17.12404 ?        ?        0.000000       17.12404 
1 1 1 9  12 52  o 29.85703 13.79900 -0.9491175E-02 0.1336198     -0.9491175E-02 0.1336198     0.000000       0.000000      29.85703 13.79900 ?        ?        0.000000       13.79900 
1 1 1 9  12 53  o 39.96051 17.28621 0.1716500      0.1751768     0.1716500      0.1751768     0.000000       0.000000      39.96051 17.28621 ?        ?        0.000000       17.28621 
1 1 1 9  12 54  o 31.85267 14.56543 0.5025270E-01  0.1434367     0.5025270E-01  0.1434367     0.000000       0.000000      31.85267 14.56543 ?        ?        0.000000       14.56543 
1 1 1 9  12 55  o 29.69235 13.07275 0.5838107E-01  0.1040259     0.1070142      0.1465456     0.8984951E-02  0.1476908     33.79296 15.15604 29.42010 13.88923 4.372862       20.55763 
1 1 1 9  12 56  o 24.43147 11.30492 -0.2019939E-03 0.9007735E-01 -0.3049099E-01 0.1303352     0.2749475E-01  0.1246332     26.09219 12.52010 28.12870 13.11151 -2.036510      18.12911 
1 1 1 9  12 57  o 35.15257 15.39442 0.1848514      0.1425720     0.1303100E-01  0.1746275     0.5283376      0.2469050     28.40255 13.83348 43.27563 19.51776 -14.87307      23.92296 
1 1 1 9  12 58  o 35.70288 15.74437 0.2409748      0.1514828     0.1362053      0.1857476     0.4490342      0.2617575     30.40692 14.68063 36.26501 17.48833 -5.858091      22.83337 
1 1 1 9  12 59  o 23.34120 11.25122 -0.1668564E-04 0.1080726     0.9066813E-01  0.1333152     -0.1738434     0.1845740     27.45985 13.03234 22.82179 11.56609 4.638052       17.42459 
1 1 1 9  12 60  o 23.84453 11.54410 0.4057031E-01  0.1168674     0.5088666E-01  0.1430218     0.1984131E-01  0.2027349     24.53416 12.06692 24.52956 12.39584 0.4594803E-02  17.29935 
1 1 1 9  12 61  o 19.34584 9.629363 -0.4916006E-01 0.1015525     0.9491502E-01  0.1293533     -0.2806211     0.1639540     24.08859 11.77015 18.62032 9.555415 5.468264       15.16055 
1 1 1 9  12 62  o 21.08941 10.44731 0.5092419E-01  0.1140863     0.1297759      0.1421733     -0.9166677E-01 0.1911871     22.79260 11.35291 19.88615 10.21197 2.906450       15.27000 
1 1 1 9  12 63  o 18.60883 9.341860 0.1744354E-01  0.1052217     0.3458283E-01  0.1311670     -0.1349637E-01 0.1762331     19.15009 9.710079 18.84134 9.681518 0.3087502      13.71194 
1 1 1 9  12 64  o 14.18814 7.202957 -0.7864757E-01 0.7370777E-01 -0.8110271E-01 0.9253752E-01 -0.7438658E-01 0.1219086     15.08445 7.696485 16.04620 8.234805 -0.9617529     11.27155 
1 1 1 9  12 65  o 17.84221 9.156753 0.2436685      0.1508453     0.4030899      0.1865248     -0.5769053E-01 0.2564516     18.24053 9.397170 15.76218 8.196795 2.478347       12.46973 
1 1 1 9  12 66  o 13.77989 7.071655 -0.3018230E-01 0.8987018E-01 -0.5348762E-01 0.1120644     0.1181640E-01  0.1504381     13.86243 7.148040 14.57518 7.549126 -0.7127523     10.39634 
1 1 1 9  12 67  o 8.991205 4.625117 -0.1286322     0.4267469E-01 0.7188227E-02  0.6548893E-01 -0.2288670     0.5625934E-01 12.97235 6.605633 ?        ?        0.000000       6.605633 
1 1 1 9  12 68  o 13.32854 6.884784 0.1409201      0.1132378     0.1639824      0.1622545     0.1190207      0.1581109     12.96416 6.738629 12.82316 6.665085 0.1409960      9.478000 
1 1 1 9  12 69  o 10.90800 5.646266 -0.5249492E-01 0.8098093E-01 0.7481980E-01  0.1132944     -0.1854920     0.1157952     11.87337 6.160588 10.66774 5.547051 1.205634       8.289910 
1 1 1 9  12 70  o 10.53271 5.467274 0.3622999E-02  0.9248576E-01 0.6543786E-01  0.1299352     -0.5985478E-01 0.1316713     10.76569 5.601338 10.39051 5.408217 0.3751736      7.786129 
1 1 1 9  12 71  o 10.05935 5.237487 0.1522004      0.1367535     0.1390557      0.1668752     0.1790789      0.2386268     9.935082 5.173983 9.871824 5.137045 0.6325817E-01  7.291045 
1 1 1 9  12 72  o 8.925761 4.646938 0.7822265E-01  0.1042840     0.5955086E-01  0.1183345     0.1431412      0.2206494     8.844033 4.605694 8.828123 4.590443 0.1591015E-01  6.502660 
1 1 1 9  12 73  o 7.310462 3.805494 -0.1096014     0.6720845E-01 -0.1232693     0.7491205E-01 -0.5321181E-01 0.1521599     7.356377 3.830388 7.752065 4.033323 -0.3956876     5.562335 
1 1 1 9  12 74  o 7.099764 3.693152 0.1246257      0.1328081     0.6855801E-01  0.1582979     0.2578994      0.2440569     7.036941 3.656112 ?        ?        0.000000       3.656112 
1 1 1 9  12 75  o 6.220373 3.232131 0.7045613E-01  0.1216014     -0.1400709E-01 0.1449831     0.2708263      0.2233059     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 76  o ?        ?        0.9485453E-01  0.1509363     0.9485453E-01  0.1509363     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 77  o ?        ?        0.1052753      0.1519113     0.1052753      0.1519113     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 78  o ?        ?        -0.5327545E-01 0.1503017     -0.5327545E-01 0.1503017     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 79  o ?        ?        -0.3906020E-01 0.1582344     -0.3906020E-01 0.1582344     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 80  o ?        ?        0.1212175      0.2169876     0.1212175      0.2169876     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 81  o ?        ?        -0.1290489     0.1136961     -0.1290489     0.1136961     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  12 82  o ?        ?        0.1687427E-01  0.1805263     0.1687427E-01  0.1805263     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 3   f 57.74001 22.80511 0.2706644      0.2686743     0.2706644      0.2686743     0.000000       0.000000      57.74001 22.80511 ?        ?        0.000000       22.80511 
1 1 1 9  13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 6   o 43.05032 18.33470 0.7159915E-01  0.1913871     0.000000       0.000000      0.7159915E-01  0.1913871     ?        ?        43.05032 18.33470 0.000000       18.33470 
1 1 1 9  13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 14  o 62.03447 23.86084 0.3628001      0.2878423     0.000000       0.000000      0.3628001      0.2878423     ?        ?        62.03447 23.86084 0.000000       23.86084 
1 1 1 9  13 15  o 27.11874 13.02319 -0.1632554     0.1416516     0.000000       0.000000      -0.1632554     0.1416516     ?        ?        27.11874 13.02319 0.000000       13.02319 
1 1 1 9  13 16  o 39.09245 17.66957 -0.1585003E-01 0.2036422     0.000000       0.000000      -0.1585003E-01 0.2036422     ?        ?        39.09245 17.66957 0.000000       17.66957 
1 1 1 9  13 17  o 52.50853 22.08758 0.1996630      0.2721167     0.000000       0.000000      0.1996630      0.2721167     ?        ?        52.50853 22.08758 0.000000       22.08758 
1 1 1 9  13 18  o 39.11261 17.77841 -0.2229609E-01 0.2096893     0.000000       0.000000      -0.2229609E-01 0.2096893     ?        ?        39.11261 17.77841 0.000000       17.77841 
1 1 1 9  13 19  o 34.46725 16.08672 -0.9366538E-01 0.1885727     0.000000       0.000000      -0.9366538E-01 0.1885727     ?        ?        34.46725 16.08672 0.000000       16.08672 
1 1 1 9  13 20  o 56.18137 23.38441 0.2788006      0.3002062     0.000000       0.000000      0.2788006      0.3002062     ?        ?        56.18137 23.38441 0.000000       23.38441 
1 1 1 9  13 21  o 50.25425 21.78077 0.1648849      0.2791836     0.000000       0.000000      0.1648849      0.2791836     ?        ?        50.25425 21.78077 0.000000       21.78077 
1 1 1 9  13 22  o 45.10911 20.08534 0.7424048E-01  0.2524368     0.000000       0.000000      0.7424048E-01  0.2524368     ?        ?        45.10911 20.08534 0.000000       20.08534 
1 1 1 9  13 23  o 28.69198 13.68305 -0.1373946     0.1505818     0.000000       0.000000      -0.1373946     0.1505818     ?        ?        28.69198 13.68305 0.000000       13.68305 
1 1 1 9  13 24  o 44.54545 18.13594 0.1407657      0.1753731     0.2774163      0.2403457     -0.1483329E-01 0.2564686     54.37720 21.54001 41.56215 19.17667 12.81505       28.83950 
1 1 1 9  13 25  o ?        ?        -0.3998511     0.6780801E-01 0.000000       0.000000      -0.3998511     0.6780801E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  13 26  o 14.03444 7.134505 -0.2702035     0.7405726E-01 0.000000       0.000000      -0.2702035     0.7405726E-01 ?        ?        14.03444 7.134505 0.000000       7.134505 
1 1 1 9  13 27  o 23.48578 11.48909 -0.1905673     0.1243350     0.000000       0.000000      -0.1905673     0.1243350     ?        ?        23.48578 11.48909 0.000000       11.48909 
1 1 1 9  13 28  o 49.16438 19.10588 0.2209377      0.1860280     0.1318911      0.2556916     0.3210808      0.2711554     45.84721 20.32428 54.90643 22.47493 -9.059219      30.30179 
1 1 1 9  13 29  o 25.69526 12.44374 -0.1612085     0.1360394     0.000000       0.000000      -0.1612085     0.1360394     ?        ?        25.69526 12.44374 0.000000       12.44374 
1 1 1 9  13 30  o 48.07420 19.17624 0.2170424      0.1917158     0.2073682      0.2725936     0.2265111      0.2696839     48.37796 21.23382 49.16248 21.35729 -0.7845154     30.11659 
1 1 1 9  13 31  o 32.12123 15.18060 -0.8310543E-01 0.1772843     -0.8310543E-01 0.1772843     0.000000       0.000000      32.12123 15.18060 ?        ?        0.000000       15.18060 
1 1 1 9  13 32  o 41.84947 19.00257 0.9261342E-01  0.2387634     0.9261342E-01  0.2387634     0.000000       0.000000      41.84947 19.00257 ?        ?        0.000000       19.00257 
1 1 1 9  13 33  o 38.91209 17.96787 0.4281617E-01  0.2258027     0.4281617E-01  0.2258027     0.000000       0.000000      38.91209 17.96787 ?        ?        0.000000       17.96787 
1 1 1 9  13 34  o 41.05455 18.82793 0.1034210      0.2420861     0.1034210      0.2420861     0.000000       0.000000      41.05455 18.82793 ?        ?        0.000000       18.82793 
1 1 1 9  13 35  f 34.91668 16.46121 -0.1624034E-01 0.2061429     -0.1624034E-01 0.2061429     0.000000       0.000000      34.91668 16.46121 ?        ?        0.000000       16.46121 
1 1 1 9  13 36  o 31.85026 15.10611 -0.4645168E-01 0.1785447     0.000000       0.000000      -0.4645168E-01 0.1785447     ?        ?        31.85026 15.10611 0.000000       15.10611 
1 1 1 9  13 37  o 17.03026 8.422350 -0.1359718     0.7300860E-01 0.5412356E-01  0.9561526E-01 -0.4017775     0.1130638     30.53525 12.98088 16.72365 8.530537 13.81160       15.53298 
1 1 1 9  13 38  o 42.68345 16.88339 0.2065741      0.1474622     0.2102814      0.2580973     0.2047774      0.1796762     41.43432 19.15964 41.77879 17.77836 -0.3444672     26.13737 
1 1 1 9  13 39  o 27.33907 12.89571 -0.3134159E-01 0.1268221     0.1438122E-01  0.1845828     -0.7222663E-01 0.1745448     32.45087 15.38181 29.23379 14.14230 3.217073       20.89509 
1 1 1 9  13 40  o 22.52333 10.92888 -0.9561633E-01 0.1062616     -0.2056082     0.1528147     0.7359689E-02  0.1478608     23.83114 11.85382 29.79951 14.01585 -5.968370      18.35639 
1 1 1 9  13 41  o 18.62506 9.256382 -0.1577545     0.9237448E-01 0.4713013E-01  0.1345637     -0.3403560     0.1270356     30.23523 13.92914 18.63424 9.459723 11.60099       16.83767 
1 1 1 9  13 42  o 18.47823 9.178197 -0.1462684     0.9032182E-01 -0.3850891     0.1320764     0.6353953E-01  0.1237942     18.20813 9.281688 29.89360 13.61580 -11.68548      16.47847 
1 1 1 9  13 43  o 16.91066 8.488716 -0.1799304     0.8679877E-01 -0.1357858E-02 0.1393989     -0.2930054     0.1109265     27.01560 12.95919 17.34335 8.808030 9.672256       15.66914 
1 1 1 9  13 44  o 21.69578 10.65729 -0.8769125E-01 0.1104276     -0.1333401     0.1670096     -0.5223100E-01 0.1471965     24.23647 12.10849 25.10473 12.32624 -0.8682632     17.27865 
1 1 1 9  13 45  o 25.48789 12.07436 0.3016170E-01  0.1134155     0.2481736E-01  0.1373423     0.4161945E-01  0.2010977     26.07800 12.59855 27.74857 13.76783 -1.670568      18.66217 
1 1 1 9  13 46  o 21.09541 10.40997 -0.6852545E-01 0.1094406     -0.4041434     0.1646688     0.1970068      0.1464695     19.00760 9.741809 31.55697 14.53591 -12.54937      17.49845 
1 1 1 9  13 47  o 26.18490 12.84578 0.9930307E-01  0.1588080     0.1356426      0.2229312     0.6186246E-01  0.2262832     26.61423 13.39252 25.58086 12.94683 1.033371       18.62740 
1 1 1 9  13 48  o 18.38299 9.164484 -0.7919492E-01 0.9349556E-01 -0.1018060     0.1715203     -0.6963620E-01 0.1115204     21.40779 10.88027 19.74731 9.870040 1.660479       14.69006 
1 1 1 9  13 49  o 18.64011 9.283221 -0.4646990E-01 0.9491929E-01 -0.1810974     0.1788796     0.6294018E-02  0.1119857     19.62912 10.06668 20.74087 10.28802 -1.111746      14.39379 
1 1 1 9  13 50  f 22.17175 11.43153 0.2766428      0.2853186     0.2766428      0.2853186     0.000000       0.000000      22.17175 11.43153 ?        ?        0.000000       11.43153 
1 1 1 9  13 51  o 19.53944 10.07800 0.6720213E-01  0.2252676     0.6720213E-01  0.2252676     0.000000       0.000000      19.53944 10.07800 ?        ?        0.000000       10.07800 
1 1 1 9  13 52  o 16.90273 8.719462 -0.8232620E-01 0.1698248     -0.8232620E-01 0.1698248     0.000000       0.000000      16.90273 8.719462 ?        ?        0.000000       8.719462 
1 1 1 9  13 53  o ?        ?        -0.2977780     0.6497507E-01 -0.2977780     0.6497507E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  13 54  f 15.69820 8.165054 0.1847081      0.2625767     0.1847081      0.2625767     0.000000       0.000000      15.69820 8.165054 ?        ?        0.000000       8.165054 
1 1 1 9  13 55  o 14.24880 7.411401 0.3886495E-01  0.2177712     0.3886495E-01  0.2177712     0.000000       0.000000      14.24880 7.411401 ?        ?        0.000000       7.411401 
1 1 1 9  13 56  o 10.40410 5.364685 -0.1443002     0.6306963E-01 -0.1443002     0.6306963E-01 0.000000       0.000000      10.40410 5.364685 ?        ?        0.000000       5.364685 
1 1 1 9  13 57  o 12.31342 6.390069 -0.1776810E-01 0.1238952     -0.1776810E-01 0.1238952     0.000000       0.000000      12.31342 6.390069 ?        ?        0.000000       6.390069 
1 1 1 9  13 58  o 11.56987 6.022674 -0.4565277E-01 0.1672773     -0.4565277E-01 0.1672773     0.000000       0.000000      11.56987 6.022674 ?        ?        0.000000       6.022674 
1 1 1 9  13 59  f 10.85526 5.652998 -0.4827308E-01 0.1766258     -0.4827308E-01 0.1766258     0.000000       0.000000      10.85526 5.652998 ?        ?        0.000000       5.652998 
1 1 1 9  13 60  o 10.46091 5.447938 0.1817657      0.1757513     0.3437517E-01  0.2529463     0.3193364      0.2443749     10.21960 5.317921 10.45005 5.439953 -0.2304459     7.607455 
1 1 1 9  13 61  o 9.539214 4.967809 0.1367287      0.1637581     0.1119216      0.2409834     0.1580123      0.2232140     9.435341 4.907612 9.478950 4.932099 -0.4360867E-01 6.957748 
1 1 1 9  13 62  o 7.684125 4.000807 -0.2290091     0.7960232E-01 -0.2290091     0.7960232E-01 0.000000       0.000000      7.684125 4.000807 ?        ?        0.000000       4.000807 
1 1 1 9  13 63  o 7.700080 4.002600 -0.5949874E-01 0.1755689     -0.5949874E-01 0.1755689     0.000000       0.000000      7.700080 4.002600 ?        ?        0.000000       4.002600 
1 1 1 9  13 64  o 6.779379 3.528575 -0.2020269     0.1060029     -0.2020269     0.1060029     0.000000       0.000000      6.779379 3.528575 ?        ?        0.000000       3.528575 
1 1 1 9  13 65  o ?        ?        -0.6387917E-01 0.1791382     -0.6387917E-01 0.1791382     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  13 66  o ?        ?        0.1631066      0.2559554     0.1631066      0.2559554     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  13 67  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 73  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 15  o 39.17561 18.62623 0.3052082      0.2747291     0.000000       0.000000      0.3052082      0.2747291     ?        ?        39.17561 18.62623 0.000000       18.62623 
1 1 1 9  14 16  o ?        ?        -0.5235967     0.6366441E-01 0.000000       0.000000      -0.5235967     0.6366441E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 19  o 29.83109 14.58233 0.2470974E-01  0.1991905     0.2470974E-01  0.1991905     0.000000       0.000000      29.83109 14.58233 ?        ?        0.000000       14.58233 
1 1 1 9  14 20  o 16.15862 8.107628 -0.1652276     0.7874746E-01 -0.1137424     0.1024716     -0.2394888     0.1230674     20.42062 10.07625 19.38655 9.780009 1.034063       14.04206 
1 1 1 9  14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 22  o 24.33179 12.12821 -0.1090484     0.1634700     0.000000       0.000000      -0.1090484     0.1634700     ?        ?        24.33179 12.12821 0.000000       12.12821 
1 1 1 9  14 23  o 19.97766 10.05190 -0.1887418     0.1254078     0.000000       0.000000      -0.1887418     0.1254078     ?        ?        19.97766 10.05190 0.000000       10.05190 
1 1 1 9  14 24  o 22.29230 11.21467 -0.1550936     0.1557405     0.000000       0.000000      -0.1550936     0.1557405     ?        ?        22.29230 11.21467 0.000000       11.21467 
1 1 1 9  14 25  o 28.97476 14.47140 0.1649264      0.2377422     0.000000       0.000000      0.1649264      0.2377422     ?        ?        28.97476 14.47140 0.000000       14.47140 
1 1 1 9  14 26  o ?        ?        -0.2893858     0.6081187E-01 0.000000       0.000000      -0.2893858     0.6081187E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 27  o 25.66283 12.63050 0.7821747E-01  0.1575732     -0.6629439E-01 0.2229599     0.2224246      0.2227247     24.00729 12.22123 28.02635 13.99909 -4.019058      18.58313 
1 1 1 9  14 28  o 24.07123 12.17905 0.2351474E-01  0.1992977     0.000000       0.000000      0.2351474E-01  0.1992977     ?        ?        24.07123 12.17905 0.000000       12.17905 
1 1 1 9  14 29  o 24.33827 12.09075 0.9039535E-01  0.1569756     -0.1110244     0.2131286     0.3292144      0.2320733     22.01157 11.26670 27.23744 13.70075 -5.225870      17.73835 
1 1 1 9  14 30  o 23.58968 12.05471 0.1292396      0.2348912     0.000000       0.000000      0.1292396      0.2348912     ?        ?        23.58968 12.05471 0.000000       12.05471 
1 1 1 9  14 31  o 22.89233 11.75909 0.1908514      0.2569372     0.000000       0.000000      0.1908514      0.2569372     ?        ?        22.89233 11.75909 0.000000       11.75909 
1 1 1 9  14 32  o 19.35843 9.913936 -0.7059134E-01 0.1671525     0.000000       0.000000      -0.7059134E-01 0.1671525     ?        ?        19.35843 9.913936 0.000000       9.913936 
1 1 1 9  14 33  o 20.74954 10.70877 0.1950263      0.2623110     0.000000       0.000000      0.1950263      0.2623110     ?        ?        20.74954 10.70877 0.000000       10.70877 
1 1 1 9  14 34  o 18.64328 9.618187 0.1048166E-01  0.2076486     0.000000       0.000000      0.1048166E-01  0.2076486     ?        ?        18.64328 9.618187 0.000000       9.618187 
1 1 1 9  14 35  o 18.50792 9.590536 0.1961267      0.2498481     0.000000       0.000000      0.1961267      0.2498481     ?        ?        18.50792 9.590536 0.000000       9.590536 
1 1 1 9  14 36  o 16.43951 8.487672 -0.5323182E-01 0.1677050     0.000000       0.000000      -0.5323182E-01 0.1677050     ?        ?        16.43951 8.487672 0.000000       8.487672 
1 1 1 9  14 37  o 15.73509 8.151280 -0.2934488E-01 0.1773632     0.000000       0.000000      -0.2934488E-01 0.1773632     ?        ?        15.73509 8.151280 0.000000       8.151280 
1 1 1 9  14 38  o 15.49866 7.995513 0.6475072E-01  0.1431512     0.1452850      0.1972439     -0.2487823E-01 0.2080834     15.72690 8.159113 15.06402 7.826712 0.6628847      11.30613 
1 1 1 9  14 39  o 14.57989 7.535392 0.4058062E-01  0.1401040     0.1864808E-01  0.1923151     0.6538577E-01  0.2045219     14.47189 7.519186 14.62682 7.602256 -0.1549273     10.69264 
1 1 1 9  14 40  o 13.37891 6.930556 -0.2966167E-01 0.1280391     -0.6353685E-01 0.1841777     0.2023045E-02  0.1781234     13.46262 7.000288 13.66570 7.102604 -0.2030792     9.972513 
1 1 1 9  14 41  o 13.32140 6.898568 0.6661311E-01  0.1243475     0.3129351      0.2229493     -0.4460925E-01 0.1498134     13.66328 7.111143 12.76989 6.634911 0.8933954      9.725760 
1 1 1 9  14 42  o 12.75663 6.629887 0.6864523E-01  0.1544586     0.1234635      0.2243734     0.1926715E-01  0.2129491     12.76916 6.648656 12.58418 6.552042 0.1849775      9.334553 
1 1 1 9  14 43  o 11.32240 5.881398 -0.9822702E-01 0.1149399     0.1436110      0.1685982     -0.3082265     0.1571085     12.26864 6.383293 11.05706 5.756275 1.211578       8.595413 
1 1 1 9  14 44  o 11.85114 6.170211 0.2115074      0.1861509     0.2256054      0.2677405     0.1983156      0.2589918     11.66665 6.075100 11.65192 6.067614 0.1472569E-01  8.586197 
1 1 1 9  14 45  o ?        ?        -0.3072086     0.4345616E-01 -0.4052570     0.6442993E-01 -0.2253807     0.5885969E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 46  o 9.678243 5.033415 -0.1087839     0.9752544E-01 -0.1010716     0.1650338     -0.1129223     0.1208922     10.04483 5.231357 9.850600 5.127500 0.1942310      7.325186 
1 1 1 9  14 47  o 9.580514 4.989127 -0.2078794E-01 0.1378663     0.1356959      0.2113443     -0.1367033     0.1818973     9.764046 5.082907 9.479581 4.935974 0.2844648      7.085181 
1 1 1 9  14 48  o ?        ?        -0.3061294     0.4357066E-01 -0.1961136     0.6582268E-01 -0.3919286     0.5812857E-01 7.747390 4.030575 ?        ?        0.000000       4.030575 
1 1 1 9  14 49  f 8.284980 4.314427 -0.2064642E-01 0.1266131     0.1130800      0.1815240     -0.1473453     0.1766899     8.416887 4.378989 8.211502 4.271905 0.2053852      6.117574 
1 1 1 9  14 50  o 6.735276 3.506556 -0.1982251     0.5952520E-01 -0.2185861     0.1003120     -0.1871587     0.7395284E-01 7.268732 3.785267 7.056507 3.674541 0.2122245      5.275462 
1 1 1 9  14 51  o 7.175483 3.729203 0.7695065E-01  0.1579215     0.9771463E-01  0.2328668     0.5926966E-01  0.2148848     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 52  o 6.268311 3.262029 -0.2160445     0.9567878E-01 0.2436782      0.1515321     -0.5208411     0.1233849     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 53  o 5.874618 3.055234 -0.1386753     0.9618489E-01 -0.1354087     0.1520900     -0.1408526     0.1241696     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 54  o ?        ?        -0.3459473E-01 0.1741225     0.000000       0.000000      -0.3459473E-01 0.1741225     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 55  o ?        ?        -0.1190664     0.1359344     0.000000       0.000000      -0.1190664     0.1359344     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  14 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 3   o 14.03457 7.304783 0.1477927      0.2383888     0.1477927      0.2383888     0.000000       0.000000      14.03457 7.304783 ?        ?        0.000000       7.304783 
1 1 1 9  15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 6   o 13.59087 7.070578 0.4485540E-01  0.2023795     0.000000       0.000000      0.4485540E-01  0.2023795     ?        ?        13.59087 7.070578 0.000000       7.070578 
1 1 1 9  15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 16  o 11.85096 6.165998 -0.2113532E-01 0.1574237     0.000000       0.000000      -0.2113532E-01 0.1574237     ?        ?        11.85096 6.165998 0.000000       6.165998 
1 1 1 9  15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 20  o 11.23131 5.848942 0.1311112      0.2196278     0.1311112      0.2196278     0.000000       0.000000      11.23131 5.848942 ?        ?        0.000000       5.848942 
1 1 1 9  15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 26  f 9.108891 4.743906 -0.6029218E-01 0.1459537     0.000000       0.000000      -0.6029218E-01 0.1459537     ?        ?        9.108891 4.743906 0.000000       4.743906 
1 1 1 9  15 27  o 8.799396 4.581571 -0.4229707E-01 0.1591362     0.000000       0.000000      -0.4229707E-01 0.1591362     ?        ?        8.799396 4.581571 0.000000       4.581571 
1 1 1 9  15 28  o ?        ?        0.2985768      0.2784149     0.000000       0.000000      0.2985768      0.2784149     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 29  o 8.192270 4.257360 0.3780007E-01  0.2068074     0.000000       0.000000      0.3780007E-01  0.2068074     ?        ?        8.192270 4.257360 0.000000       4.257360 
1 1 1 9  15 30  o ?        ?        0.1191116      0.2340014     0.000000       0.000000      0.1191116      0.2340014     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 31  o ?        ?        0.1131621      0.2303432     0.000000       0.000000      0.1131621      0.2303432     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 32  o ?        ?        0.9073135E-01  0.2260081     0.000000       0.000000      0.9073135E-01  0.2260081     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 33  o 6.561087 3.411674 -0.1634329     0.1216830     0.000000       0.000000      -0.1634329     0.1216830     ?        ?        6.561087 3.411674 0.000000       3.411674 
1 1 1 9  15 34  o ?        ?        0.1743344      0.2545258     0.000000       0.000000      0.1743344      0.2545258     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 35  o 5.833082 3.030468 -0.1821917     0.1099400     0.000000       0.000000      -0.1821917     0.1099400     ?        ?        5.833082 3.030468 0.000000       3.030468 
1 1 1 9  15 36  o ?        ?        -0.5573814E-01 0.1832904     0.000000       0.000000      -0.5573814E-01 0.1832904     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 37  o ?        ?        0.3865543      0.2996813     0.000000       0.000000      0.3865543      0.2996813     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 38  o ?        ?        0.2903647      0.2813623     0.000000       0.000000      0.2903647      0.2813623     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 39  o ?        ?        0.1212962E-02  0.1893542     0.000000       0.000000      0.1212962E-02  0.1893542     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 40  o ?        ?        0.4611924E-01  0.2078696     0.000000       0.000000      0.4611924E-01  0.2078696     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 41  o ?        ?        -0.6174745E-01 0.1637818     0.000000       0.000000      -0.6174745E-01 0.1637818     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 42  o ?        ?        -0.5008225E-01 0.1740114     0.000000       0.000000      -0.5008225E-01 0.1740114     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  15 43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 4   o ?        ?        0.1321931      0.2370915     0.1321931      0.2370915     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 9  16 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 6   o ?        ?        0.3225271      0.2932636     0.000000       0.000000      0.3225271      0.2932636     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  16 7   o ?        ?        -0.8365139E-01 0.1438221     0.000000       0.000000      -0.8365139E-01 0.1438221     ?        ?        ?        ?        0.000000       ?        
1 1 1 9  16 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 17  o ?        ?        -0.1507460     0.7681751E-01 0.000000       0.000000      -0.1507460     0.7681751E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 9  16 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 0  0   o 287.2218 23.36455 5.865292       0.9125369     5.865292       0.9125369     0.000000       0.000000      287.2218 23.36455 287.2218 23.36455 0.000000       0.000000 
1 1 1 10 0  1   o 464.5904 24.05491 15.34568       1.533719      15.34568       1.533719      0.000000       0.000000      464.5904 24.05491 464.5904 24.05491 0.000000       0.000000 
1 1 1 10 0  2   o 386.8681 23.62989 10.66408       1.251512      10.66408       1.251512      0.000000       0.000000      386.8681 23.62989 386.8681 23.62989 0.000000       0.000000 
1 1 1 10 0  3   o 483.0325 24.15092 16.58229       1.601637      16.58229       1.601637      0.000000       0.000000      483.0325 24.15092 483.0325 24.15092 0.000000       0.000000 
1 1 1 10 0  4   o 415.2334 23.74940 12.27177       1.351514      12.27177       1.351514      0.000000       0.000000      415.2334 23.74940 415.2334 23.74940 0.000000       0.000000 
1 1 1 10 0  5   o 428.5392 23.82328 13.06585       1.399750      13.06585       1.399750      0.000000       0.000000      428.5392 23.82328 428.5392 23.82328 0.000000       0.000000 
1 1 1 10 0  6   o 241.1749 23.44443 4.208712       0.7638069     4.208712       0.7638069     0.000000       0.000000      241.1749 23.44443 241.1749 23.44443 0.000000       0.000000 
1 1 1 10 0  7   o 270.8614 23.36001 5.278654       0.8587416     5.278654       0.8587416     0.000000       0.000000      270.8614 23.36001 270.8614 23.36001 0.000000       0.000000 
1 1 1 10 0  8   o 296.0138 23.34918 6.283189       0.9407220     6.283189       0.9407220     0.000000       0.000000      296.0138 23.34918 296.0138 23.34918 0.000000       0.000000 
1 1 1 10 0  9   o 141.7537 26.12420 1.549676       0.4601742     1.549676       0.4601742     0.000000       0.000000      141.7537 26.12420 141.7537 26.12420 0.000000       0.000000 
1 1 1 10 0  10  o 96.36356 28.86226 0.8071426      0.3345539     0.8071426      0.3345539     0.000000       0.000000      96.36356 28.86226 96.36356 28.86226 0.000000       0.000000 
1 1 1 10 0  11  f 101.8001 18.50394 0.7900867      0.2346409     0.9742364      0.3338242     0.6102673      0.3298758     110.2325 25.17195 79.07648 31.34279 0.000000       0.000000 
1 1 1 10 0  12  o 209.8238 16.37493 3.124753       0.4677841     3.991662       0.6682289     2.291673       0.6550609     235.8627 20.89485 172.4091 30.31694 0.000000       0.000000 
1 1 1 10 0  13  o 421.8099 16.69552 12.46987       0.9689612     10.98883       1.337817      14.10412       1.405310      392.1305 24.93873 445.8729 22.96470 0.000000       0.000000 
1 1 1 10 0  14  f 374.9731 16.47936 9.861947       0.8495041     0.000000       0.000000      9.861947       0.8495041     374.9731 16.47936 374.9731 16.47936 0.000000       0.000000 
1 1 1 10 0  15  o 393.4301 23.60883 11.02226       1.271990      0.000000       0.000000      11.02226       1.271990      393.4301 23.60883 393.4301 23.60883 0.000000       0.000000 
1 1 1 10 0  16  f 408.5572 13.49527 11.64060       0.7594470     11.24373       0.9271939     12.44962       1.323821      400.3857 16.83853 418.6532 23.06001 0.000000       0.000000 
1 1 1 10 0  17  o 518.0615 12.07571 18.66140       0.8627778     18.23990       1.216111      19.08855       1.224234      510.2676 17.30497 522.1638 17.02026 0.000000       0.000000 
1 1 1 10 0  18  o 456.3398 11.81121 14.48155       0.7431266     14.21634       1.049840      14.74787       1.052042      450.4225 16.93405 458.9099 16.65203 0.000000       0.000000 
1 1 1 10 0  19  o 499.9485 12.01720 17.38022       0.8285130     19.79600       1.208575      15.23836       1.137996      532.0038 16.48794 466.0618 17.74150 0.000000       0.000000 
1 1 1 10 0  20  o 555.9080 12.18716 21.48614       0.9344841     19.91699       1.297857      23.17539       1.346611      533.1129 17.67473 575.5182 16.97857 0.000000       0.000000 
1 1 1 10 0  21  o 424.1140 11.79729 12.51257       0.6896716     13.95634       0.9970934     11.18824       0.9549565     446.5252 16.22011 399.1693 17.40085 0.000000       0.000000 
1 1 1 10 0  22  o 302.8234 11.44655 6.389506       0.4770800     5.991980       0.6723915     6.792522       0.6770182     291.6241 16.82603 311.0004 15.85940 0.000000       0.000000 
1 1 1 10 0  23  o 157.9289 11.47717 1.757581       0.2472470     2.000423       0.3523370     1.521982       0.3470433     167.3508 15.55625 144.3226 18.20133 0.000000       0.000000 
1 1 1 10 0  24  o 120.7747 11.71533 1.040299       0.1911537     1.084571       0.2724490     0.9973768      0.2682639     121.1895 17.30236 115.5414 18.15316 0.000000       0.000000 
1 1 1 10 0  25  o 208.8150 11.40880 3.052243       0.3267131     3.235709       0.4661399     2.875090       0.4580507     213.6881 16.00424 200.9482 16.77693 0.000000       0.000000 
1 1 1 10 0  26  o 94.39081 14.90238 0.6639281      0.1797519     0.8941343      0.3188713     0.5567011      0.2176250     104.8160 25.42085 81.44588 22.37876 0.000000       0.000000 
1 1 1 10 0  27  o 234.4126 16.35960 3.887997       0.5236079     4.449927       0.7488500     3.350467       0.7324106     248.6500 22.21866 213.1766 25.90041 0.000000       0.000000 
1 1 1 10 0  28  o 355.4747 13.52838 8.825434       0.6618537     7.710867       0.7993560     11.25544       1.180296      330.7834 17.61493 398.3837 21.60126 0.000000       0.000000 
1 1 1 10 0  29  o 251.3212 11.47116 4.411036       0.3961951     5.099666       0.5692163     3.763906       0.5517986     269.1906 15.42965 230.0990 17.60407 0.000000       0.000000 
1 1 1 10 0  30  o 146.0298 11.60266 1.507951       0.2305601     1.526136       0.3283435     1.490263       0.3238258     144.9707 17.01601 143.1910 17.01075 0.000000       0.000000 
1 1 1 10 0  31  o 145.3153 11.59373 1.493637       0.2292272     1.416249       0.3253728     1.569897       0.3229927     139.1230 17.72178 147.3490 16.39391 0.000000       0.000000 
1 1 1 10 0  32  o 107.2155 12.08571 0.8281791      0.1730710     0.8478175      0.2462947     0.8090227      0.2432524     105.6189 18.61434 102.7297 19.08281 0.000000       0.000000 
1 1 1 10 0  33  o 56.90519 18.05111 0.2843175      0.1248085     0.4866859      0.2208586     0.1893718      0.1512797     73.52996 24.43603 42.77097 21.21791 0.000000       0.000000 
1 1 1 10 0  34  o 101.7731 14.54766 0.7637360      0.1923367     1.019340       0.3364707     0.6396771      0.2344107     113.2759 24.53307 88.32511 22.22255 0.000000       0.000000 
1 1 1 10 0  35  o 121.6688 17.74919 1.098369       0.2796569     1.062693       0.3974339     1.133356       0.3935834     112.5147 29.60800 118.0261 27.80283 0.000000       0.000000 
1 1 1 10 0  36  o 159.0337 16.78479 1.825846       0.3591960     2.111388       0.5131019     1.551427       0.5030082     168.3364 23.35900 139.2437 29.78545 0.000000       0.000000 
1 1 1 10 0  37  o 102.7534 14.61589 0.7786080      0.1952459     0.6825106      0.3411536     0.8254147      0.2380941     84.51658 31.43514 104.2480 18.20123 0.000000       0.000000 
1 1 1 10 0  38  o 158.4555 13.51148 1.786233       0.2906847     2.155916       0.5104846     1.608846       0.3536136     170.3424 22.85920 148.4149 17.95295 0.000000       0.000000 
1 1 1 10 0  39  o 71.45121 17.36071 0.4131187      0.1484301     0.3885417      0.2627876     0.4246331      0.1798699     61.08801 28.24563 69.81361 21.35243 0.000000       0.000000 
1 1 1 10 0  40  o 179.2771 13.44042 2.276802       0.3284182     2.335345       0.5737110     2.248266       0.4005380     176.3220 25.01846 176.8818 16.74393 0.000000       0.000000 
1 1 1 10 0  41  o 224.2019 13.35931 3.540426       0.4102193     3.091643       0.7106714     3.764675       0.5023608     203.1360 26.59963 230.3184 15.97248 0.000000       0.000000 
1 1 1 10 0  42  o 131.9052 13.90577 1.253176       0.2468359     1.104258       0.4303110     1.326207       0.3013428     112.9642 31.86073 134.5249 16.95430 0.000000       0.000000 
1 1 1 10 0  43  o 90.67736 15.79618 0.6235248      0.1798068     0.6907685      0.3159585     0.5913168      0.2186688     86.56695 29.47583 84.60101 21.65392 0.000000       0.000000 
1 1 1 10 0  44  o 53.28743 18.92764 0.2616663      0.1268503     0.1871338      0.2249134     0.2964337      0.1536132     43.81141 24.59913 55.82499 21.20514 0.000000       0.000000 
1 1 1 10 0  45  o 104.5657 12.66580 0.7941715      0.1757412     0.8287242      0.2518342     0.7613718      0.2453634     103.5010 19.69307 98.34271 20.49556 0.000000       0.000000 
1 1 1 10 0  46  o 45.71624 18.87824 0.2054421      0.1182260     0.1644932      0.2070584     0.2252498      0.1440087     41.47704 23.47607 47.08882 20.93354 0.000000       0.000000 
1 1 1 10 0  47  o 74.29880 22.62766 0.4825519      0.2027265     0.6154630      0.2897402     0.3550788      0.2837509     81.20595 28.50229 57.66940 28.97515 0.000000       0.000000 
1 1 1 10 0  48  o 87.61121 17.00755 0.5935576      0.1834756     0.6383098      0.2263831     0.5078926      0.3132119     88.53492 21.35859 69.96214 30.86810 0.000000       0.000000 
1 1 1 10 0  49  o 95.87717 13.44291 0.6774073      0.1679383     0.6759900      0.2406310     0.6787531      0.2344892     90.95893 22.10919 91.71148 21.28769 0.000000       0.000000 
1 1 1 10 0  50  o 151.3486 12.04245 1.625327       0.2480048     1.665623       0.3536451     1.586332       0.3478892     150.9952 17.58422 147.1109 17.82179 0.000000       0.000000 
1 1 1 10 0  51  o 75.60840 15.58911 0.4461892      0.1437162     0.4470146      0.2070435     0.4454217      0.1996489     69.85695 23.90003 70.29933 23.16303 0.000000       0.000000 
1 1 1 10 0  52  o 189.7392 11.86459 2.536635       0.3080620     2.582978       0.4389521     2.491655       0.4324514     189.4574 17.09937 185.9644 17.17800 0.000000       0.000000 
1 1 1 10 0  53  o 129.4074 12.48012 1.199346       0.2182425     1.372683       0.3125055     1.034325       0.3049173     136.6270 17.32329 115.7297 21.17663 0.000000       0.000000 
1 1 1 10 0  54  o 173.2667 13.93491 2.138394       0.3284327     2.499107       0.5768064     1.965338       0.3995232     182.6349 24.02643 164.1171 18.20233 0.000000       0.000000 
1 1 1 10 0  55  o 187.1440 17.22235 2.524876       0.4363824     2.377197       0.6191965     2.670608       0.6150997     175.7963 27.52065 188.5550 24.81897 0.000000       0.000000 
1 1 1 10 0  56  o 224.6801 13.77223 3.568157       0.4235963     3.487347       0.5199332     3.727679       0.7305092     220.5967 17.31444 224.4099 24.29622 0.000000       0.000000 
1 1 1 10 0  57  o 107.1848 16.15990 0.8576915      0.2231099     0.8947470      0.2756255     0.7872655      0.3799785     107.0410 20.93983 90.38506 33.02449 0.000000       0.000000 
1 1 1 10 0  58  o 240.3884 13.86230 4.081105       0.4566355     4.255134       0.5627911     3.745785       0.7812093     244.2181 16.87402 223.6693 26.23907 0.000000       0.000000 
1 1 1 10 0  59  o 274.2043 13.84739 5.298768       0.5212494     5.283453       0.6403571     5.328840       0.8973636     272.3145 17.18689 269.1816 24.61595 0.000000       0.000000 
1 1 1 10 0  60  o 439.2045 14.09056 13.54298       0.8525492     13.66401       1.048235      13.30648       1.465319      439.3009 17.34198 427.7831 25.00226 0.000000       0.000000 
1 1 1 10 0  61  o 410.1071 14.05570 11.81423       0.7938339     11.15984       0.9658368     13.17670       1.393637      396.5326 17.72008 426.5512 23.83150 0.000000       0.000000 
1 1 1 10 0  62  o 350.8537 13.94992 8.657394       0.6734001     8.858103       0.8294085     8.269191       1.153495      353.3101 17.09220 335.9335 25.19281 0.000000       0.000000 
1 1 1 10 0  63  o 309.4334 13.93200 6.744736       0.5925288     6.431795       0.7249162     7.374679       1.028508      300.3216 17.61970 317.8571 23.73790 0.000000       0.000000 
1 1 1 10 0  64  o 212.1518 14.20153 3.195830       0.4117470     3.211254       0.5071463     3.166000       0.7052753     211.0731 17.68622 204.6027 26.12792 0.000000       0.000000 
1 1 1 10 0  65  o 309.5547 14.01262 6.758144       0.5961614     6.782509       0.7332376     6.710622       1.024000      308.3986 17.34391 301.6469 24.97866 0.000000       0.000000 
1 1 1 10 0  66  o 215.5442 17.62013 3.351218       0.5163624     2.986039       0.7283561     3.720213       0.7321520     196.3836 28.63810 223.1191 24.51900 0.000000       0.000000 
1 1 1 10 0  67  o 113.5736 33.93580 1.166946       0.4634582     1.166946       0.4634582     0.000000       0.000000      113.5736 33.93580 113.5736 33.93580 0.000000       0.000000 
1 1 1 10 0  68  o 232.6160 17.81967 3.908344       0.5646461     3.908344       0.5646461     0.000000       0.000000      232.6160 17.81967 232.6160 17.81967 0.000000       0.000000 
1 1 1 10 0  69  o 222.6009 14.46908 3.534998       0.4404295     3.633580       0.5425624     3.344526       0.7541686     223.8944 17.80884 207.8396 27.64638 0.000000       0.000000 
1 1 1 10 0  70  o 271.9236 14.30465 5.260426       0.5337144     5.354185       0.6568254     5.078206       0.9156689     272.2873 17.63946 258.2217 26.30651 0.000000       0.000000 
1 1 1 10 0  71  o 213.7299 14.70640 3.278095       0.4293018     3.042067       0.5259315     3.749365       0.7431589     203.0761 19.14676 221.3069 25.15876 0.000000       0.000000 
1 1 1 10 0  72  o 205.6842 12.75408 3.014997       0.3590414     3.730958       0.5193318     2.359468       0.4969310     226.6297 16.80801 176.5505 21.19218 0.000000       0.000000 
1 1 1 10 0  73  o 164.2064 13.38157 1.944294       0.2987780     2.334629       0.4357266     1.597891       0.4104750     177.2424 18.24664 142.9537 22.44792 0.000000       0.000000 
1 1 1 10 0  74  o 58.00644 24.52805 0.3509984      0.1986630     0.5419220      0.3793065     0.2788267      0.2332081     67.42424 33.57224 49.78581 25.96405 0.000000       0.000000 
1 1 1 10 0  75  o 200.7415 15.31776 2.936794       0.4189057     3.298871       0.5194305     2.263195       0.7084806     210.7893 18.15588 156.4707 37.82698 0.000000       0.000000 
1 1 1 10 0  76  o 221.0905 12.90635 3.508786       0.3909410     4.239581       0.5647713     2.836483       0.5416982     239.8054 17.26144 192.3667 21.03257 0.000000       0.000000 
1 1 1 10 0  77  o 229.4612 12.83110 3.782022       0.4036407     3.814170       0.5781096     3.751443       0.5638268     225.4578 18.87410 223.8849 18.53029 0.000000       0.000000 
1 1 1 10 0  78  f 149.8193 13.98260 1.647980       0.2834727     1.858801       0.4083506     1.451890       0.3938256     154.9163 20.00848 133.5105 23.54972 0.000000       0.000000 
1 1 1 10 0  79  o 90.00548 18.88095 0.6598620      0.2066726     0.3797148      0.2967403     0.9237736      0.2880134     55.96548 29.26020 105.1815 22.59028 0.000000       0.000000 
1 1 1 10 0  80  o 55.81768 22.62724 0.3220823      0.1707539     0.4087835      0.2495818     0.2457883      0.2341239     59.87140 27.53449 46.16863 25.39798 0.000000       0.000000 
1 1 1 10 0  81  o 68.71894 22.22979 0.4416508      0.1864208     0.5872772      0.2710004     0.3108389      0.2568463     75.60056 27.98248 51.02593 27.07326 0.000000       0.000000 
1 1 1 10 0  82  o 188.1829 13.37741 2.577476       0.3435727     3.066485       0.4941260     2.119781       0.4780433     201.4315 18.10147 162.9274 22.46544 0.000000       0.000000 
1 1 1 10 0  83  o 107.8516 16.88777 0.9043676      0.2330994     0.9925333      0.3345118     0.8211452      0.3249986     105.5931 26.52482 91.90833 29.11224 0.000000       0.000000 
1 1 1 10 0  84  o 179.1835 13.47920 2.342659       0.3291643     2.519747       0.4697788     2.171866       0.4613527     181.0370 19.35002 166.2523 21.00954 0.000000       0.000000 
1 1 1 10 0  85  o 116.5165 15.64258 1.033107       0.2389302     1.130002       0.3399574     0.9385257      0.3358760     115.7036 24.14019 101.0211 27.84323 0.000000       0.000000 
1 1 1 10 0  86  o 109.9418 20.14057 0.9754450      0.2754411     1.022182       0.4745359     0.9516982      0.3382547     93.58182 37.68418 101.8664 27.81579 0.000000       0.000000 
1 1 1 10 0  87  o 140.0175 16.96675 1.494182       0.3152200     1.645415       0.3899035     1.208829       0.5355821     144.0324 20.88224 101.1281 39.90074 0.000000       0.000000 
1 1 1 10 0  88  o 93.39357 19.20602 0.7140474      0.2187981     0.6004772      0.3084956     0.8290002      0.3103675     73.04676 30.53606 93.92058 27.54810 0.000000       0.000000 
1 1 1 10 0  89  o 100.3529 17.57626 0.8000871      0.2212053     0.9345593      0.3162281     0.6712410      0.3095422     102.0602 25.95326 79.03776 30.12183 0.000000       0.000000 
1 1 1 10 0  90  o 51.23494 22.39020 0.2861614      0.1648470     0.1733562      0.2392982     0.3880398      0.2274133     40.50476 24.18496 58.08672 26.30461 0.000000       0.000000 
1 1 1 10 0  91  o 32.35928 18.88881 0.1063349      0.1402367     0.1130782      0.2084808     0.1007623      0.1895215     35.55165 21.87111 34.01184 20.89030 0.000000       0.000000 
1 1 1 10 0  92  o 92.88720 18.66078 0.7171562      0.2122120     0.8856080      0.3107888     0.5700137      0.2904670     95.90187 27.10120 68.98434 29.70310 0.000000       0.000000 
1 1 1 10 0  93  o 88.16650 23.31123 0.7187930      0.2451886     0.5283129      0.4352511     0.8073380      0.2967544     57.32630 33.35728 89.40070 27.48727 0.000000       0.000000 
1 1 1 10 0  94  o 100.9379 29.30628 1.053462       0.3545137     1.436210       0.5055943     0.6832776      0.4972266     107.3149 37.64430 60.92198 35.56477 0.000000       0.000000 
1 1 1 10 0  95  o 85.80556 25.64634 0.7514827      0.2646270     0.7602424      0.3257158     0.7344733      0.4538790     77.18061 31.24497 62.93915 35.09451 0.000000       0.000000 
1 1 1 10 0  96  o 163.6371 14.97392 2.124214       0.3318278     2.628778       0.4786910     1.657485       0.4603942     172.8490 20.86255 122.1734 31.57752 0.000000       0.000000 
1 1 1 10 0  97  o 38.09782 21.67114 0.2081857      0.1776119     0.3004339      0.2517214     0.1167252      0.2506442     42.65115 25.11500 33.31149 21.83493 0.000000       0.000000 
1 1 1 10 0  98  o 74.54218 23.43175 0.6193450      0.2118083     0.8254141      0.3020682     0.4200276      0.2970784     75.74656 29.98514 45.32741 27.00465 0.000000       0.000000 
1 1 1 10 0  99  o 51.66698 23.66400 0.3976749      0.1842673     0.3263121      0.2622207     0.4672933      0.2589959     38.85152 24.18117 47.58721 26.51895 0.000000       0.000000 
1 1 1 10 0  100 o 19.44390 13.48222 -0.3284514E-01 0.1256171     -0.7164145E-01 0.1812913     0.2983098E-02  0.1742186     21.29091 15.05994 23.15513 16.01296 0.000000       0.000000 
1 1 1 10 0  101 o 25.71305 16.74854 0.1121119      0.1440651     -0.1281594E-02 0.2075703     0.2175028      0.2001119     22.73343 16.08697 29.99467 19.60774 0.000000       0.000000 
1 1 1 10 0  102 o 20.92126 14.33276 0.4949094E-01  0.1320687     0.2902650E-01  0.1920727     0.6784298E-01  0.1818896     21.41157 15.21160 22.27295 15.61627 0.000000       0.000000 
1 1 1 10 0  103 o 17.25791 12.28367 -0.7815708E-02 0.1273938     0.1566904      0.1860944     -0.1528980     0.1747630     22.13909 15.57904 16.08006 11.80362 0.000000       0.000000 
1 1 1 10 0  104 o 17.82766 12.68692 0.7791997E-01  0.1356652     -0.1074003     0.1971165     0.2447094      0.1870018     15.55615 11.50958 20.84561 14.84522 0.000000       0.000000 
1 1 1 10 0  105 o 16.33467 11.95949 0.1515438      0.1712995     0.3197460      0.3181141     0.8285303E-01  0.2032902     16.15813 12.07246 15.32508 11.36290 0.000000       0.000000 
1 1 1 10 0  106 o 12.43853 9.293129 -0.3565900E-01 0.1783427     0.1710363      0.2794116     -0.1777582     0.2316728     13.40960 10.02327 12.15162 9.084072 0.000000       0.000000 
1 1 1 10 0  107 o 12.08015 9.030666 0.1696634      0.1756891     0.1612159      0.2223296     0.1837093      0.2866873     11.79955 8.822468 11.67979 8.746696 0.000000       0.000000 
1 1 1 10 0  108 o 9.769659 7.284305 -0.2955618E-01 0.1219424     -0.8571376E-02 0.1802617     -0.4726145E-01 0.1655778     10.04636 7.516105 9.877329 7.386788 0.000000       0.000000 
1 1 1 10 0  109 o 9.423202 7.047348 0.1790613      0.1511889     0.2374898      0.2208520     0.1275299      0.2074076     9.221856 6.910422 9.061489 6.789760 0.000000       0.000000 
1 1 1 10 0  110 o 7.928676 5.940851 0.1965357      0.1561047     0.1599348      0.2282242     0.2287143      0.2139931     7.700952 5.771308 7.792782 5.840434 0.000000       0.000000 
1 1 1 10 0  111 o 6.313550 4.732044 -0.3915174E-01 0.1359648     -0.1899800     0.2384499     0.3351270E-01  0.1655071     6.301805 4.719185 6.413575 4.806403 0.000000       0.000000 
1 1 1 10 0  112 o 5.312211 3.977690 0.1293638E-01  0.1799102     0.1774651      0.2530097     -0.1553432     0.2558775     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 0  113 o ?        ?        0.7971434E-01  0.1967265     0.2151771      0.2767606     -0.5863019E-01 0.2796890     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 0  114 o ?        ?        -0.1202931     0.1447206     0.1651624      0.2012133     -0.4262170     0.2083024     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 0  115 o ?        ?        0.1500773      0.2090720     -0.1254970     0.2975040     0.4189683      0.2938743     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 0  116 o ?        ?        -0.7832975E-03 0.1765945     0.9504592E-01  0.2505597     -0.9537216E-01 0.2489328     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 0  117 f ?        ?        0.6679845E-01  0.2696146     0.000000       0.000000      0.6679845E-01  0.2696146     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 10 1  0   o 218.5047 23.77804 3.478242       0.6958780     3.478242       0.6958780     0.000000       0.000000      218.5047 23.77804 218.5047 23.77804 0.000000       0.000000 
1 1 1 10 1  1   o 272.6021 11.35020 5.180652       0.4272387     5.152999       0.4927119     5.264455       0.8577283     271.4259 13.14631 269.7903 23.25133 1.635590       26.71048 
1 1 1 10 1  2   o 268.9095 11.34132 5.041162       0.4211220     4.844350       0.4850333     5.643840       0.8487686     262.7760 13.41209 279.9887 22.13433 -17.21274      25.88074 
1 1 1 10 1  3   o 300.8255 13.22281 6.330646       0.5492581     5.471143       0.6637030     8.198561       0.9784273     277.8358 17.38758 338.3856 21.04433 -60.54974      27.29820 
1 1 1 10 1  4   o 491.8475 11.95913 16.88280       0.8122097     16.56965       1.146835      17.19793       1.150450      484.5371 17.14099 493.8049 16.87230 -9.267792      24.05177 
1 1 1 10 1  5   o 391.5555 11.72214 10.69518       0.6337793     10.38995       0.8991976     10.99651       0.8934287     383.7701 16.96860 395.1026 16.37616 -11.33246      23.58203 
1 1 1 10 1  6   o 288.5635 11.36260 5.805140       0.4527488     6.020501       0.6454540     5.596547       0.6352355     292.0437 16.06768 281.4060 16.41925 10.63770       22.97308 
1 1 1 10 1  7   o 335.4061 11.48184 7.844305       0.5317659     8.245180       0.7606255     7.461051       0.7437205     342.2448 16.09519 324.9579 16.63038 17.28683       23.14356 
1 1 1 10 1  8   o 335.5286 11.50266 7.850327       0.5329247     8.817077       0.7690555     6.957250       0.7391712     354.0672 15.73019 313.5446 17.13782 40.52252       23.26250 
1 1 1 10 1  9   o 305.1181 11.39724 6.490636       0.4801818     6.893217       0.6873239     6.106808       0.6711251     312.5913 15.97717 293.9217 16.60407 18.66965       23.04268 
1 1 1 10 1  10  o 261.1410 11.37140 4.754208       0.4100409     4.993754       0.5881900     4.527729       0.5719228     265.8953 16.09608 253.0083 16.46017 12.88699       23.02218 
1 1 1 10 1  11  o 336.9889 13.42457 7.946840       0.6246749     8.202828       0.7741688     7.469161       1.057531      341.2378 16.43011 321.2299 24.01555 20.00797       29.09802 
1 1 1 10 1  12  o 398.0241 13.56076 11.08897       0.7453007     11.50548       0.9229135     10.30813       1.263658      404.0884 16.54042 377.3746 24.38076 26.71384       29.46196 
1 1 1 10 1  13  o 456.3072 11.82919 14.52691       0.7453327     14.91929       1.064103      14.14900       1.044295      460.0243 16.75193 447.9177 16.88446 12.10666       23.78471 
1 1 1 10 1  14  o 300.3629 13.14340 6.309726       0.5451198     6.156282       0.9438929     6.386518       0.6677325     291.7043 23.63699 300.8031 16.13502 -9.098846      28.61898 
1 1 1 10 1  15  o 416.2590 13.69702 12.13177       0.7872775     14.33207       1.402801      11.12012       0.9511998     446.4274 22.83299 396.8549 17.35809 49.57248       28.68185 
1 1 1 10 1  16  f 508.3783 10.74770 17.99859       0.7544672     18.42786       0.9796973     17.37300       1.182698      512.9576 13.83160 496.1001 17.26501 16.85751       22.12224 
1 1 1 10 1  17  o 540.3937 9.885415 20.30974       0.7376379     19.89590       1.038050      20.73185       1.048382      532.8511 14.10829 544.0159 13.95629 -11.16486      19.84494 
1 1 1 10 1  18  o 368.1994 9.446480 9.422950       0.4802761     10.36117       0.6884802     8.533599       0.6703103     384.9644 12.95188 349.0337 13.90819 35.93073       19.00497 
1 1 1 10 1  19  o 378.1700 9.468986 9.940643       0.4944569     10.04774       0.7003753     9.834224       0.6981654     378.9309 13.38545 374.8444 13.48868 4.086517       19.00301 
1 1 1 10 1  20  o 333.5357 8.680093 7.724305       0.3997650     7.228309       0.5259372     8.402967       0.6152067     321.8679 11.83364 346.7115 12.85034 -24.84366      17.46901 
1 1 1 10 1  21  o 264.3282 8.590360 4.850845       0.3135399     4.864264       0.4157064     4.833137       0.4775161     264.1354 11.39783 262.5309 13.21483 1.604492       17.45114 
1 1 1 10 1  22  o 192.5804 8.001016 2.573064       0.2127625     2.595098       0.3010040     2.551061       0.3007793     192.6008 11.36857 190.9346 11.46146 1.666122       16.14340 
1 1 1 10 1  23  o 230.1091 8.594626 3.676515       0.2730856     4.057521       0.3634175     3.182332       0.4138888     241.3230 10.90609 212.6044 14.17986 28.71854       17.88886 
1 1 1 10 1  24  f 389.0720 9.531659 10.52467       0.5120783     11.09316       0.7305251     9.975478       0.7180133     398.1335 13.28827 377.3527 13.77993 20.78076       19.14326 
1 1 1 10 1  25  o 455.6468 8.956070 14.42331       0.5634868     13.96924       0.8563753     14.76999       0.7482964     446.4765 13.89081 460.0508 11.77958 -13.57431      18.21299 
1 1 1 10 1  26  o 290.1000 9.387136 5.850690       0.3760267     5.859536       0.5320508     5.841863       0.5315139     289.3110 13.31834 288.8723 13.32511 0.4386597      18.83977 
1 1 1 10 1  27  o 266.0678 10.20234 4.928218       0.3748265     4.704810       0.4823663     5.268713       0.5955022     258.8170 13.54436 273.0830 15.86082 -14.26608      20.85702 
1 1 1 10 1  28  o 188.4141 9.269284 2.468010       0.2411558     2.358536       0.2946843     2.689975       0.4196086     183.4545 11.69390 194.8490 15.72991 -11.39452      19.60044 
1 1 1 10 1  29  o 206.2674 8.566080 2.955252       0.2439780     2.686429       0.3216688     3.319378       0.3743711     195.7517 11.95785 217.5172 12.51719 -21.76547      17.31099 
1 1 1 10 1  30  o 90.13826 8.980818 0.5702588      0.1102915     0.5809460      0.1470052     0.5564969      0.1668181     90.40471 12.07818 87.97102 14.21798 2.433693       18.65565 
1 1 1 10 1  31  o 206.6031 8.579075 2.965818       0.2447458     3.043818       0.3247959     2.863339       0.3722907     208.5155 11.32310 201.6467 13.44780 6.868820       17.57999 
1 1 1 10 1  32  o 269.5093 8.628829 5.047726       0.3211172     5.243323       0.4264846     4.791684       0.4879538     274.0515 11.27024 260.9937 13.58670 13.05774       17.65267 
1 1 1 10 1  33  o 224.9277 9.276748 3.519978       0.2881221     3.564018       0.4080816     3.476203       0.4068535     225.0834 13.18758 222.2427 13.31924 2.840683       18.74338 
1 1 1 10 1  34  o 215.5933 10.16769 3.239501       0.3026882     3.173685       0.4784697     3.283416       0.3908356     211.1691 16.54140 215.9829 13.16789 -4.813766      21.14264 
1 1 1 10 1  35  o 278.5356 11.47237 5.422447       0.4412370     5.205570       0.6216046     5.642704       0.6264302     270.5883 16.71860 282.0266 16.15308 -11.43832      23.24723 
1 1 1 10 1  36  o 202.0760 9.318806 2.842770       0.2600237     2.675806       0.3177375     3.181317       0.4524466     195.2131 11.84349 211.6710 15.58961 -16.45793      19.57816 
1 1 1 10 1  37  o 231.7212 8.639390 3.734480       0.2764310     3.665915       0.3655055     3.826107       0.4225305     228.6268 11.61604 233.0639 13.18345 -4.437088      17.57088 
1 1 1 10 1  38  o 153.7877 8.160740 1.648430       0.1726760     1.562685       0.2436912     1.734897       0.2447134     148.9123 11.95216 157.1013 11.35732 -8.189026      16.48765 
1 1 1 10 1  39  o 141.4216 8.203086 1.395110       0.1595003     1.304499       0.2252661     1.486207       0.2258700     135.9010 12.13181 145.3203 11.34622 -9.419296      16.61076 
1 1 1 10 1  40  o 123.9223 8.846159 1.074456       0.1503763     1.088634       0.2290615     1.063717       0.1993492     123.6343 13.64495 122.6395 11.92260 0.9948349      18.11996 
1 1 1 10 1  41  o 89.67919 9.219877 0.5662231      0.1125448     0.5568944      0.1719955     0.5732083      0.1488306     87.65260 14.73335 89.56077 12.36446 -1.908173      19.23412 
1 1 1 10 1  42  o 132.9286 8.839714 1.236072       0.1613287     1.221885       0.2462455     1.246740       0.2135402     130.9376 13.82887 132.8431 11.76295 -1.905518      18.15502 
1 1 1 10 1  43  f 160.3030 8.768072 1.795180       0.1933457     1.684258       0.2947608     1.878947       0.2561508     153.8470 14.02959 163.3540 11.42806 -9.506958      18.09503 
1 1 1 10 1  44  o 188.5351 9.394768 2.479639       0.2445774     2.336213       0.3458683     2.623092       0.3459011     181.3958 13.91453 192.5659 13.08638 -11.17015      19.10150 
1 1 1 10 1  45  o 193.8452 9.417634 2.621875       0.2520780     2.654363       0.3577743     2.589848       0.3552236     193.5443 13.47120 191.1396 13.54676 2.404694       19.10466 
1 1 1 10 1  46  o 265.4972 11.67192 4.947170       0.4278978     0.000000       0.000000      4.947170       0.4278978     ?        ?        265.4972 11.67192 0.000000       11.67192 
1 1 1 10 1  47  o 349.8882 13.65294 8.645623       0.6596195     0.000000       0.000000      8.645623       0.6596195     ?        ?        349.8882 13.65294 0.000000       13.65294 
1 1 1 10 1  48  f 251.5893 10.43965 4.429186       0.3626737     4.157252       0.5715052     4.612531       0.4692705     240.3926 17.33344 255.3373 13.35620 -14.94472      21.88232 
1 1 1 10 1  49  o 279.0836 9.509388 5.438251       0.3664586     5.529366       0.6381745     5.393426       0.4476135     277.7363 16.71850 277.1375 11.69687 0.5987854      20.40405 
1 1 1 10 1  50  o 310.4066 9.549806 6.728994       0.4093205     7.054099       0.7154896     6.570830       0.4990528     313.8497 16.56858 305.8116 11.81829 8.038116       20.35165 
1 1 1 10 1  51  o 259.5464 9.522175 4.704767       0.3412630     4.770188       0.5950226     4.672699       0.4165885     257.7545 16.81021 257.9099 11.69772 -0.1554871     20.47974 
1 1 1 10 1  52  o 200.5422 9.547083 2.809348       0.2643714     3.138434       0.4642108     2.651376       0.3216251     209.1259 16.20214 193.7931 12.07924 15.33278       20.20934 
1 1 1 10 1  53  o 88.97315 11.78028 0.5655767      0.1411691     0.6151183      0.2288316     0.5351376      0.1793690     90.78033 18.87086 85.41798 15.78917 5.362350       24.60503 
1 1 1 10 1  54  o 141.0934 10.81646 1.403503       0.2091272     1.565461       0.3365024     1.301588       0.2669362     146.9762 16.88750 134.6992 14.58466 12.27695       22.31367 
1 1 1 10 1  55  o 166.4010 10.73274 1.948854       0.2452914     1.707756       0.3904792     2.106009       0.3152572     152.6615 18.92992 172.1227 13.36934 -19.46115      23.17501 
1 1 1 10 1  56  o 255.8506 9.629918 4.576110       0.3402099     4.579632       0.4842052     4.572677       0.4781118     253.9204 13.86243 253.8129 13.69265 0.1074982      19.48476 
1 1 1 10 1  57  o 298.4387 8.940633 6.216279       0.3684354     6.151220       0.5652929     6.264325       0.4857902     294.6314 13.89494 298.4024 11.78985 -3.771027      18.22279 
1 1 1 10 1  58  o 235.8159 8.959329 3.881765       0.2917336     3.993010       0.4491267     3.800570       0.3837023     237.0392 13.78127 232.0338 12.01701 5.005447       18.28474 
1 1 1 10 1  59  o 225.3111 8.994469 3.544271       0.2798312     3.450135       0.4295440     3.613680       0.3688385     220.0583 14.21213 226.2946 11.84504 -6.236313      18.50107 
1 1 1 10 1  60  o 192.0281 9.075243 2.575315       0.2406362     2.463603       0.3696349     2.657486       0.3170149     185.6486 14.53534 193.9316 11.89586 -8.283020      18.78264 
1 1 1 10 1  61  o 131.8638 9.569482 1.222270       0.1730550     1.241466       0.2670605     1.208375       0.2272132     131.2379 15.00693 130.2023 12.80353 1.035599       19.72659 
1 1 1 10 1  62  o 112.1881 9.212503 0.8853880      0.1414525     0.7884013      0.2004350     0.9816217      0.1996555     104.4462 14.27114 117.2875 12.52150 -12.84135      18.98561 
1 1 1 10 1  63  o 84.04269 10.92409 0.5041845      0.1237746     0.3728852      0.1645975     0.6750555      0.1877699     70.61946 17.06877 96.38987 14.56165 -25.77041      22.43624 
1 1 1 10 1  64  o 113.6404 9.977653 0.9119282      0.1549816     0.8431371      0.2054887     1.002683       0.2360245     108.0309 14.11259 117.6886 14.85483 -9.657707      20.48978 
1 1 1 10 1  65  f 184.8001 10.00894 2.402473       0.2544521     2.174510       0.3117386     2.857526       0.4404425     174.6604 13.01934 198.7186 16.19218 -24.05821      20.77715 
1 1 1 10 1  66  o 112.7669 13.31264 0.9154392      0.2032952     0.8135388      0.2862347     1.019166       0.2887880     103.3126 20.78458 116.9935 18.49086 -13.68090      27.81925 
1 1 1 10 1  67  o 97.61589 14.30990 0.6946065      0.1871565     0.6684913      0.2601678     0.7226152      0.2694339     93.28649 20.73504 97.07148 20.73130 -3.784988      29.32113 
1 1 1 10 1  68  o 106.4846 11.41997 0.8108708      0.1652943     0.7135415      0.2022949     1.006389       0.2867192     98.43555 15.38685 115.8050 18.55712 -17.36940      24.10647 
1 1 1 10 1  69  o 113.5633 10.40731 0.9175904      0.1613825     0.8410748      0.2137642     1.019001       0.2460942     107.0579 14.86115 117.7070 15.51966 -10.64915      21.48752 
1 1 1 10 1  70  o 201.3785 9.386504 2.855738       0.2610087     2.578977       0.3442155     3.230142       0.4003573     189.1301 13.26443 211.4011 13.79075 -22.27103      19.13452 
1 1 1 10 1  71  o 221.2748 9.394150 3.453602       0.2870301     3.139138       0.3781231     3.881183       0.4409174     208.4554 13.20478 231.3485 13.86628 -22.89308      19.14785 
1 1 1 10 1  72  o 225.3149 9.468925 3.589277       0.2945971     3.134705       0.3871156     4.214780       0.4541029     207.6318 13.57709 240.7453 13.71704 -33.11345      19.30012 
1 1 1 10 1  73  o 254.5735 10.19763 4.610906       0.3584679     4.243939       0.4369645     5.366127       0.6268586     241.5747 13.14907 267.1807 17.08065 -25.60596      21.55567 
1 1 1 10 1  74  o 108.8580 15.75320 0.8961846      0.2299075     0.7309359      0.3326772     1.047259       0.3180896     92.08121 25.35859 114.2999 20.92535 -22.21866      32.87747 
1 1 1 10 1  75  o 105.9935 12.61782 0.8275204      0.1810432     0.2966020      0.2624120     1.309783       0.2500990     62.55569 23.05362 132.8530 13.83636 -70.29733      26.88707 
1 1 1 10 1  76  o 117.3546 10.97728 1.000485       0.1758159     0.8024569      0.2329013     1.262843       0.2680750     101.4145 17.24923 129.0915 15.33930 -27.67699      23.08311 
1 1 1 10 1  77  o 83.23313 12.96357 0.5189876      0.1441394     0.5025085      0.1910613     0.5407557      0.2195914     79.26041 17.88261 81.14230 19.77860 -1.881889      26.66422 
1 1 1 10 1  78  o 171.1732 9.987113 2.110957       0.2350303     1.884046       0.3098944     2.418208       0.3606056     158.2401 14.33843 179.0039 14.71964 -20.76379      20.54893 
1 1 1 10 1  79  o 103.4686 11.83652 0.7908374      0.1660678     0.8916129      0.2204148     0.6585193      0.2525651     107.7538 15.23899 88.39700 21.00239 19.35678       25.94855 
1 1 1 10 1  80  o 167.4174 10.14345 2.027610       0.2333834     1.720982       0.3075702     2.443774       0.3583200     150.1773 15.03403 179.6339 14.57148 -29.45663      20.93681 
1 1 1 10 1  81  o 78.27235 13.03447 0.4640093      0.1359225     0.3823713      0.1918743     0.5462443      0.1925744     67.71301 19.47719 82.40846 17.46592 -14.69546      26.16141 
1 1 1 10 1  82  f 153.6846 9.689884 1.705240       0.2045773     1.507514       0.2888422     1.904269       0.2897922     140.1379 15.16891 159.4569 13.28231 -19.31898      20.16223 
1 1 1 10 1  83  o 92.92487 11.57012 0.6399242      0.1452443     0.5715125      0.2050439     0.7088221      0.2057709     83.71006 18.25352 94.90901 16.28797 -11.19895      24.46404 
1 1 1 10 1  84  o 116.9521 10.32158 0.9961144      0.1649732     1.013508       0.2328608     0.9785864      0.2337564     114.7667 15.05743 112.4464 15.46424 2.320290       21.58400 
1 1 1 10 1  85  o 90.71521 12.28251 0.6149784      0.1498966     0.5428959      0.1973710     0.7132186      0.2304163     81.76492 17.97155 93.67726 18.46963 -11.91235      25.77021 
1 1 1 10 1  86  o 102.2207 13.75765 0.7928387      0.1892561     0.7910888      0.2905771     0.7941281      0.2494114     95.37690 22.43872 98.49828 19.02667 -3.121384      29.41955 
1 1 1 10 1  87  o 160.6427 11.03482 1.888717       0.2432891     1.668707       0.3415539     2.115313       0.3466278     145.0930 17.39483 165.8447 15.30925 -20.75172      23.17225 
1 1 1 10 1  88  o 102.2646 10.99942 0.7709224      0.1528798     0.7620111      0.2155288     0.7799463      0.2168871     98.00935 16.51273 99.26476 16.39589 -1.255409      23.27006 
1 1 1 10 1  89  o 146.7205 9.750633 1.563724       0.1964184     1.193741       0.2764620     1.940833       0.2791120     122.3679 16.80548 160.8611 12.66830 -38.49314      21.04543 
1 1 1 10 1  90  o 76.70199 12.66720 0.4503394      0.1294772     0.3687563      0.1842821     0.5298768      0.1819568     65.50303 19.15959 80.46880 16.91292 -14.96577      25.55654 
1 1 1 10 1  91  f 58.59650 14.38501 0.2761032      0.1155322     0.4256071      0.1650809     0.1325811      0.1617446     71.30743 17.00481 44.81147 17.69575 26.49596       24.54187 
1 1 1 10 1  92  o 26.60464 12.01836 -0.3046824E-01 0.9405827E-01 -0.1565959E-01 0.1254333     -0.4949252E-01 0.1421703     31.56920 14.09985 31.68682 14.49377 -0.1176186     20.22066 
1 1 1 10 1  93  o 91.48309 15.58498 0.6957566      0.1898154     0.7767006      0.3042796     0.6441901      0.2428647     85.45358 24.51227 81.68613 21.30856 3.767456       32.47931 
1 1 1 10 1  94  o 122.4348 13.99977 1.222920       0.2324262     0.5495219      0.3689433     1.666032       0.2992820     64.83410 26.34026 140.3392 15.71381 -75.50515      30.67137 
1 1 1 10 1  95  o 88.16042 13.74118 0.6464102      0.1618241     0.7057922      0.2174426     0.5726915      0.2422734     86.00153 18.83222 71.89614 22.18588 14.10538       29.10096 
1 1 1 10 1  96  o 163.0584 10.16720 2.068677       0.2277790     1.972079       0.3235403     2.163608       0.3207344     147.3142 16.17146 156.9277 14.98365 -9.613556      22.04599 
1 1 1 10 1  97  o 82.30437 13.70845 0.5992205      0.1503135     0.5554023      0.2150797     0.6410555      0.2101565     67.44824 20.91868 75.57389 19.87400 -8.125648      28.85423 
1 1 1 10 1  98  o 108.3566 11.74519 1.013458       0.1729198     1.021732       0.2471566     1.005525       0.2420156     93.52094 19.75827 93.56197 19.37080 -0.4102325E-01 27.66979 
1 1 1 10 1  99  o 52.03284 15.76214 0.3108995      0.1230156     0.2815103E-01  0.1765876     0.5774854      0.1714662     31.45045 14.94740 68.72242 17.89360 -37.27197      23.31535 
1 1 1 10 1  100 o 32.49230 13.62584 0.1188985      0.1030426     0.1241864      0.1508650     0.1142745      0.1410754     32.43653 14.87105 31.96824 14.55083 0.4682922      20.80565 
1 1 1 10 1  101 o 30.33358 13.12399 0.1207035      0.1010081     0.9071556E-01  0.1468712     0.1476160      0.1391365     28.37949 13.52832 30.78520 14.17557 -2.405710      19.59496 
1 1 1 10 1  102 o 19.03084 9.343173 -0.4944490E-01 0.8451250E-01 -0.2940435E-01 0.1250326     -0.6630279E-01 0.1146754     21.93722 10.87964 20.52602 10.21938 1.411201       14.92656 
1 1 1 10 1  103 o 24.85980 11.69333 0.1350793      0.1029484     0.1024052      0.1498821     0.1642622      0.1416485     22.66465 11.34513 24.24722 11.94180 -1.582569      16.47174 
1 1 1 10 1  104 o 17.72923 8.907682 0.9065756E-02  0.9667219E-01 -0.7849915E-01 0.1299662     0.1175166      0.1446379     16.97408 8.696633 19.67137 9.997103 -2.697290      13.25041 
1 1 1 10 1  105 o 15.54765 7.976233 0.1829624E-02  0.1133235     0.1429691      0.1810964     -0.8900782E-01 0.1452841     16.60088 8.579438 15.05338 7.776465 1.547508       11.57930 
1 1 1 10 1  106 o 13.85291 7.151109 0.3482481E-01  0.1181891     0.1974250      0.1911144     -0.6587139E-01 0.1503971     14.35968 7.461673 13.35055 6.930942 1.009131       10.18403 
1 1 1 10 1  107 o 12.66548 6.544951 0.7562540E-01  0.1048508     0.6686570E-01  0.1404388     0.8665729E-01  0.1576040     12.44815 6.466864 12.47755 6.487844 -0.2940178E-01 9.160374 
1 1 1 10 1  108 o 10.60964 5.503389 -0.1931287E-01 0.8857183E-01 -0.8033957E-01 0.1266093     0.3917904E-01  0.1239520     10.53653 5.482611 10.94020 5.689417 -0.4036703     7.901170 
1 1 1 10 1  109 o 9.699493 5.044911 0.7065758E-01  0.9947186E-01 0.1654074      0.1422253     -0.2006943E-01 0.1391733     9.772610 5.089069 9.416481 4.903895 0.3561287      7.067306 
1 1 1 10 1  110 o 7.876128 4.101027 -0.4475617E-01 0.8654268E-01 -0.9039777E-01 0.1237407     -0.1054661E-02 0.1210822     7.893408 4.110278 8.021123 4.177022 -0.1277146     5.860197 
1 1 1 10 1  111 o 6.692088 3.483670 -0.4444600E-01 0.9901038E-01 -0.2976427E-01 0.1425838     -0.5811794E-01 0.1375932     6.741016 3.502681 6.718966 3.491846 0.2205086E-01  4.945884 
1 1 1 10 1  112 o ?        ?        0.5620589E-01  0.1377880     0.3834477      0.2029405     -0.2236616     0.1876768     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 1  113 o ?        ?        -0.3600674E-01 0.1191440     -0.1249392     0.1784272     0.3555514E-01  0.1600560     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 1  114 o ?        ?        0.9723928E-01  0.1418182     0.2781448      0.2077075     -0.6074794E-01 0.1941052     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 1  115 o ?        ?        0.9828353E-01  0.1402582     0.6884517E-01  0.2060490     0.1237017      0.1914634     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 1  116 o ?        ?        0.2013114E-01  0.1312233     0.1599109      0.1948768     -0.9582495E-01 0.1774944     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  0   o 134.2802 26.69556 1.409074       0.4396123     0.000000       0.000000      1.409074       0.4396123     134.2802 26.69556 134.2802 26.69556 0.000000       0.000000 
1 1 1 10 2  1   o 274.5450 13.12168 5.271379       0.4974404     4.767473       0.6039873     6.333896       0.8770421     259.4715 16.95092 297.0557 21.52788 -37.58423      27.40042 
1 1 1 10 2  2   o 257.4872 11.32871 4.621591       0.4027858     4.552164       0.4645284     4.831926       0.8085480     254.7681 13.25045 258.6165 22.87787 -3.848312      26.43807 
1 1 1 10 2  3   o 280.5587 11.41105 5.487663       0.4420663     5.147277       0.5083363     6.543799       0.8954183     270.8293 13.63676 301.9114 21.62188 -31.08218      25.56300 
1 1 1 10 2  4   o 289.1030 11.39543 5.826822       0.4549054     5.799246       0.5253825     5.909421       0.9092764     287.9388 13.21410 285.9934 23.22575 1.945313       26.72168 
1 1 1 10 2  5   o 224.0413 11.36711 3.507864       0.3505025     3.141238       0.4022399     4.664382       0.7144146     211.3482 13.85991 255.2020 20.44514 -43.85378      24.70022 
1 1 1 10 2  6   o 193.0732 10.14994 2.600599       0.2696476     2.704521       0.3477539     2.443907       0.4270135     196.2873 12.90233 185.4562 16.85901 10.83112       21.22961 
1 1 1 10 2  7   o 269.0632 10.16624 5.037093       0.3777049     4.653207       0.4836586     5.637168       0.6047005     257.4646 13.65332 282.7798 15.54622 -25.31516      20.69053 
1 1 1 10 2  8   o 216.1925 9.355680 3.248164       0.2792890     2.779298       0.3388253     4.241980       0.4932925     199.1218 12.38442 245.4943 14.61827 -46.37244      19.15901 
1 1 1 10 2  9   o 492.0361 9.788043 16.83518       0.6650140     16.47197       0.8103150     17.58449       1.163874      485.7919 12.07996 499.3560 16.87943 -13.56412      20.75670 
1 1 1 10 2  10  o 268.5424 9.439054 5.012223       0.3500092     4.592686       0.4261900     5.881403       0.6134416     256.5258 12.03190 288.9050 15.43316 -32.37915      19.56908 
1 1 1 10 2  11  o 300.9556 10.20839 6.302228       0.4242263     6.070857       0.5454019     6.656620       0.6750004     294.5520 13.40963 307.1928 15.96816 -12.64084      20.85186 
1 1 1 10 2  12  o 281.7163 10.19105 5.522217       0.3964323     5.842074       0.5136212     5.050869       0.6234982     289.0951 12.86661 267.0835 16.99473 22.01157       21.31597 
1 1 1 10 2  13  o 351.4798 10.34961 8.598064       0.5022988     8.445777       0.5603358     9.221082       1.133356      347.9778 11.66162 357.6994 23.06917 -9.721619      25.84917 
1 1 1 10 2  14  o 221.6797 11.41514 3.434982       0.3482318     3.650237       0.4033459     2.804818       0.6901245     228.1677 12.85459 195.0612 26.29214 33.10654       29.26631 
1 1 1 10 2  15  o 342.9407 10.34420 8.185469       0.4898395     7.512530       0.6267611     9.241592       0.7851833     327.4988 13.85971 362.5092 15.68607 -35.01035      20.93190 
1 1 1 10 2  16  o 325.9993 11.65002 7.412619       0.5244226     6.453838       0.7283146     8.444958       0.7557365     301.7736 17.55416 346.4892 15.79584 -44.71558      23.61477 
1 1 1 10 2  17  o 406.9187 10.47780 11.52729       0.5887294     12.27550       0.9396083     11.04370       0.7553952     417.4746 16.29967 397.0977 13.77650 20.37686       21.34177 
1 1 1 10 2  18  o 345.7024 10.51750 8.320794       0.5020569     7.070210       0.7762252     9.220240       0.6582921     315.7109 17.87917 363.0592 13.13116 -47.34824      22.18315 
1 1 1 10 2  19  o 487.3410 10.72002 16.54212       0.7213838     16.82491       0.9373034     16.13122       1.129843      490.0555 13.85151 478.0202 17.11725 12.03525       22.01964 
1 1 1 10 2  20  o 393.8286 10.55299 10.80023       0.5738795     10.44556       0.7392607     11.33809       0.9103737     386.1171 13.86566 401.0902 16.43765 -14.97305      21.50472 
1 1 1 10 2  21  o 352.3965 10.42134 8.646066       0.5070994     8.419110       0.6548537     8.986001       0.8014437     346.6942 13.67917 357.1251 16.25229 -10.43091      21.24281 
1 1 1 10 2  22  o 176.7150 10.26585 2.180954       0.2494197     2.082069       0.3230432     2.326911       0.3924728     171.8711 13.72645 181.1615 15.84884 -9.290466      20.96667 
1 1 1 10 2  23  o 281.1551 11.64562 5.516246       0.4521126     5.542616       0.6453118     5.490822       0.6336161     279.7623 16.78239 278.5431 16.54822 1.219238       23.56889 
1 1 1 10 2  24  o 307.8375 11.61986 6.613427       0.4939243     6.414080       0.7018299     6.809052       0.6952457     300.9035 16.96059 310.3636 16.27973 -9.460114      23.50939 
1 1 1 10 2  25  f 307.4518 11.59380 6.597338       0.4921994     6.448438       0.6988497     6.743897       0.6933332     301.7269 16.84100 308.8184 16.31718 -7.091492      23.44930 
1 1 1 10 2  26  o 388.2013 10.48700 10.49899       0.5621421     9.924733       0.7207874     11.39058       0.8981280     376.1666 13.87679 401.8578 16.18556 -25.69119      21.31989 
1 1 1 10 2  27  o 527.7422 10.87226 19.42036       0.7922818     19.20377       1.020316      19.74928       1.257371      523.0176 14.12800 528.2629 17.23754 -5.245361      22.28751 
1 1 1 10 2  28  f 381.1001 10.46762 10.12210       0.5508395     9.808144       0.7080346     10.60350       0.8767361     373.8914 13.71422 387.4345 16.38825 -13.54309      21.36948 
1 1 1 10 2  29  o 277.7062 10.29886 5.373975       0.3949232     5.405434       0.5103460     5.327016       0.6235088     277.6623 13.31097 274.0370 16.55538 3.625275       21.24294 
1 1 1 10 2  30  o 263.2686 10.26202 4.830095       0.3730524     4.855948       0.4818070     4.791395       0.5894838     262.8177 13.31992 259.8163 16.51691 3.001465       21.21859 
1 1 1 10 2  31  o 258.3601 10.25808 4.652595       0.3659565     4.652942       0.4723915     4.652073       0.5787317     257.1985 13.34723 255.9534 16.46222 1.245117       21.19323 
1 1 1 10 2  32  o 194.2766 9.378278 2.627157       0.2515832     2.593769       0.4344553     2.644001       0.3085878     190.7087 16.66558 194.1587 11.56259 -3.449997      20.28386 
1 1 1 10 2  33  o 295.5574 8.693791 6.074216       0.3548044     6.199196       0.5424325     5.980758       0.4690641     297.2002 13.21778 292.4599 11.61523 4.740265       17.59612 
1 1 1 10 2  34  o 291.2353 8.747205 5.899180       0.3517639     6.375541       0.4688330     5.285606       0.5320879     302.0453 11.24108 273.7225 14.12596 28.32278       18.05283 
1 1 1 10 2  35  o 280.1891 8.679076 5.460710       0.3357862     5.424680       0.4441265     5.508789       0.5130402     278.4668 11.55035 280.0326 13.26798 -1.565765      17.59119 
1 1 1 10 2  36  o 219.3349 8.105124 3.343692       0.2454740     3.444888       0.3473639     3.242742       0.3469417     221.6311 11.38901 214.9090 11.73572 6.722031       16.35349 
1 1 1 10 2  37  o 167.8299 8.115458 1.958116       0.1880704     1.889278       0.2657906     2.027141       0.2661532     163.8161 11.82975 169.8262 11.41615 -6.010040      16.43994 
1 1 1 10 2  38  o 274.4536 8.135708 5.237613       0.3083204     5.048919       0.4348474     5.428375       0.4372241     268.4401 11.73144 278.4681 11.37079 -10.02795      16.33774 
1 1 1 10 2  39  o 256.5062 8.127016 4.575930       0.2878505     4.417251       0.4063184     4.735808       0.4078501     251.0337 11.72186 260.0474 11.35822 -9.013733      16.32210 
1 1 1 10 2  40  o 153.4674 8.795079 1.645595       0.1856007     1.679508       0.2848262     1.620568       0.2446819     153.8143 13.54884 151.5805 11.78276 2.233887       17.95563 
1 1 1 10 2  41  o 147.4532 9.597125 1.523350       0.1943395     1.765622       0.2774874     1.290117       0.2722622     157.9243 12.83603 134.2078 14.94553 23.71648       19.70108 
1 1 1 10 2  42  o 211.6974 10.32120 3.132913       0.3017059     3.079828       0.4781539     3.168029       0.3888972     207.1538 16.86251 211.5978 13.37912 -4.443985      21.52545 
1 1 1 10 2  43  o 171.9471 9.574902 2.069825       0.2264338     2.327449       0.3960877     1.944756       0.2759774     180.1873 16.08872 165.9599 12.12690 14.22737       20.14717 
1 1 1 10 2  44  o 201.3682 9.466063 2.829955       0.2632075     2.836014       0.4587785     2.826982       0.3213548     198.6300 16.88727 200.3837 11.66453 -1.753723      20.52416 
1 1 1 10 2  45  o 188.5843 9.616220 2.489424       0.2495761     3.178051       0.4418144     2.166702       0.3024554     211.0543 15.26324 175.0312 12.59860 36.02309       19.79119 
1 1 1 10 2  46  o 206.5925 11.76742 3.006337       0.3342973     3.099061       0.6706064     2.975675       0.3856284     203.4120 24.36014 204.8096 13.71505 -1.397568      27.95566 
1 1 1 10 2  47  o 148.0986 10.72505 1.543643       0.2178400     1.649283       0.3442732     1.473106       0.2813185     151.1019 16.78403 143.5710 14.38384 7.530884       22.10426 
1 1 1 10 2  48  o 119.0258 10.00045 0.9971328      0.1628377     1.105844       0.2843172     0.9440657      0.1986450     123.2439 17.17373 115.1149 12.70898 8.129036       21.36481 
1 1 1 10 2  49  o 195.7478 9.591095 2.676405       0.2592407     2.837217       0.4520988     2.597627       0.3164310     198.6306 16.63672 191.8652 12.00425 6.765320       20.51542 
1 1 1 10 2  50  o 255.8600 9.588464 4.573102       0.3387580     4.424390       0.5867131     4.647471       0.4149036     247.9249 17.24565 257.2061 11.68229 -9.281204      20.82999 
1 1 1 10 2  51  o 364.5210 10.66260 9.309652       0.5366900     8.920065       0.8440566     9.574064       0.6953600     352.6121 17.33550 367.9276 13.68703 -15.31549      22.08743 
1 1 1 10 2  52  o 256.8760 10.56471 4.622694       0.3747304     4.915066       0.5949191     4.430401       0.4824719     261.6683 16.55053 249.7276 14.04867 11.94072       21.70911 
1 1 1 10 2  53  o 147.6506 9.906046 1.531388       0.2007934     2.030580       0.3527811     1.292177       0.2442095     168.2419 15.35483 134.6168 13.31233 33.62508       20.32213 
1 1 1 10 2  54  o 147.7608 10.82953 1.538952       0.2194175     1.542046       0.3514293     1.536974       0.2808944     145.4099 17.87941 146.6540 14.04280 -1.244095      22.73486 
1 1 1 10 2  55  o 126.6150 11.08799 1.133423       0.1919010     1.173261       0.3087797     1.108352       0.2449502     126.4300 18.21276 124.1540 14.56498 2.276009       23.32045 
1 1 1 10 2  56  f 154.9875 9.146074 1.683071       0.1948682     1.654910       0.2964908     1.704487       0.2585577     152.0987 14.28452 155.1110 12.16960 -3.012329      18.76558 
1 1 1 10 2  57  o 100.0267 9.905460 0.7066883      0.1350149     0.8527971      0.2060456     0.5967466      0.1787336     108.8451 14.03639 90.53925 14.80864 18.30587       20.40382 
1 1 1 10 2  58  o 136.2514 9.341775 1.303147       0.1746940     1.249390       0.2658512     1.343999       0.2317532     131.7501 14.87373 137.5565 12.33226 -5.806473      19.32130 
1 1 1 10 2  59  o 209.5233 8.999218 3.065521       0.2603605     3.232239       0.3978677     2.940659       0.3443204     213.2149 13.58472 203.8741 12.28845 9.340805       18.31804 
1 1 1 10 2  60  o 147.3687 9.307335 1.523813       0.1884220     1.765879       0.2880526     1.342778       0.2491078     157.3978 13.38053 137.1298 13.32403 20.26804       18.88302 
1 1 1 10 2  61  o 138.0268 9.411184 1.338346       0.1782983     1.243138       0.2709059     1.411104       0.2368211     131.1800 15.23990 140.9095 12.29461 -9.729416      19.58091 
1 1 1 10 2  62  o 81.32729 11.03628 0.4730213      0.1207346     0.5348014      0.1825927     0.4250255      0.1609389     85.09248 16.13046 75.72140 15.89857 9.371078       22.64854 
1 1 1 10 2  63  o 129.6941 9.655328 1.184433       0.1716734     1.276314       0.2284673     1.065277       0.2601776     133.7960 12.51165 120.9102 15.97481 12.88574       20.29128 
1 1 1 10 2  64  o 224.5664 9.800933 3.536236       0.3039136     3.697982       0.4308495     3.376058       0.4287557     227.5648 13.77634 217.0741 14.38574 10.49069       19.91826 
1 1 1 10 2  65  o 106.9858 11.17075 0.8152291      0.1625901     0.8167662      0.2749320     0.8144024      0.2016269     103.8663 19.89396 105.9813 14.12985 -2.114967      24.40128 
1 1 1 10 2  66  o 94.73389 11.91210 0.6446317      0.1523776     0.5858459      0.2106069     0.7092094      0.2207388     88.20702 17.90311 97.63218 16.99088 -9.425163      24.68221 
1 1 1 10 2  67  f 82.05898 11.94847 0.4868989      0.1314122     0.6064829      0.1711468     0.3151220      0.2051231     91.04461 14.06714 64.84412 20.47847 26.20049       24.84456 
1 1 1 10 2  68  o 62.21722 12.75032 0.2857401      0.1058583     0.1276732      0.1486437     0.4484086      0.1507918     46.34251 17.29727 77.73573 14.58385 -31.39323      22.62486 
1 1 1 10 2  69  o 151.8040 9.183303 1.627434       0.1915893     1.575713       0.2701742     1.679752       0.2717288     147.5195 13.40991 152.5402 13.02556 -5.020676      18.69468 
1 1 1 10 2  70  o 131.4333 9.583184 1.225922       0.1727231     1.413260       0.2439720     1.037676       0.2445639     139.7452 12.78512 118.3806 15.32088 21.36457       19.95466 
1 1 1 10 2  71  o 182.9147 9.710251 2.375242       0.2443761     2.600816       0.3232542     2.074367       0.3733290     189.8088 12.40177 166.7003 16.43248 23.10846       20.58714 
1 1 1 10 2  72  o 187.0451 11.66811 2.521377       0.2998563     2.414078       0.3930695     2.670746       0.4637675     179.7422 16.00476 187.1055 18.18000 -7.363312      24.22116 
1 1 1 10 2  73  o 113.4941 13.33973 0.9505571      0.2050660     0.8818429      0.3392829     0.9901074      0.2574028     102.0330 24.40913 113.7538 16.90112 -11.72083      29.68928 
1 1 1 10 2  74  o 123.1418 11.54067 1.103337       0.1939450     1.145935       0.2771146     1.062439       0.2715301     122.1414 16.88211 117.2693 17.28708 4.872124       24.16297 
1 1 1 10 2  75  o 146.4245 10.31163 1.545278       0.2071556     1.438120       0.2760541     1.683404       0.3134139     138.3129 14.67852 149.1013 15.44704 -10.78842      21.30892 
1 1 1 10 2  76  o 191.9794 9.765540 2.645252       0.2580204     2.854979       0.3442317     2.376334       0.3897926     196.8874 12.72993 176.2001 16.20252 20.68735       20.60516 
1 1 1 10 2  77  o 161.9304 10.13763 1.892323       0.2255325     1.806939       0.2991174     2.004818       0.3433379     155.1307 14.11838 162.1227 15.52689 -6.992081      20.98602 
1 1 1 10 2  78  o 162.9379 10.10006 1.918001       0.2261196     1.811600       0.3001702     2.057595       0.3438184     155.0730 14.17500 164.1797 15.34391 -9.106705      20.88938 
1 1 1 10 2  79  o 142.9695 10.44954 1.484562       0.2048611     1.439428       0.2722258     1.543499       0.3110811     137.6750 14.53973 141.0457 16.27106 -3.370758      21.82089 
1 1 1 10 2  80  o 176.8006 10.02749 2.260331       0.2437936     2.082337       0.3230842     2.495695       0.3715202     165.9351 14.23859 180.8813 15.01041 -14.94618      20.68937 
1 1 1 10 2  81  o 96.21003 12.23498 0.6904259      0.1588639     0.5756328      0.2106420     0.8418509      0.2419280     83.74925 18.68906 102.5315 17.72950 -18.78227      25.76075 
1 1 1 10 2  82  o 138.9152 10.51556 1.405463       0.2002119     1.365685       0.2657654     1.457661       0.3044445     133.7717 14.62617 136.5556 16.47893 -2.783875      22.03361 
1 1 1 10 2  83  o 123.5669 11.72539 1.127411       0.1976674     0.9358340      0.2426825     1.505034       0.3407180     109.0378 16.64611 136.7998 18.51287 -27.76196      24.89617 
1 1 1 10 2  84  o 112.0751 13.12188 0.9433827      0.1992249     0.7803143      0.2574996     1.186560       0.3144512     96.95230 19.90125 120.3795 19.59122 -23.42722      27.92626 
1 1 1 10 2  85  o 118.9983 12.90583 1.060060       0.2086639     1.009387       0.3292787     1.094064       0.2697383     107.7965 22.83222 117.6456 17.10571 -9.849091      28.52921 
1 1 1 10 2  86  o 70.97523 16.77326 0.4053843      0.1617816     0.3353797      0.2081116     0.5123012      0.2571912     63.15780 20.68948 75.99478 22.73957 -12.83698      30.74317 
1 1 1 10 2  87  o 153.8479 11.28985 1.740878       0.2381631     1.527335       0.2899984     2.183306       0.4174206     140.6717 15.16972 164.0548 18.76419 -23.38312      24.12914 
1 1 1 10 2  88  o 73.22614 14.15182 0.4176663      0.1379144     0.3788274      0.1861670     0.4649064      0.2053169     66.85378 19.17233 73.69936 19.76753 -6.845589      27.53786 
1 1 1 10 2  89  o 137.2574 10.69106 1.388520       0.2010272     1.179983       0.2678957     1.657283       0.3041298     121.5206 16.38287 145.3185 15.39078 -23.79798      22.47832 
1 1 1 10 2  90  o 58.06671 15.75550 0.2771865      0.1295438     0.2935668      0.1744657     0.2570581      0.1933990     58.36235 18.93481 55.21115 19.87365 3.151199       27.44975 
1 1 1 10 2  91  o 82.77440 14.60853 0.5510727      0.1608667     0.6817178      0.2000541     0.3120341      0.2706043     90.45344 16.62992 58.31470 22.93298 32.13873       28.32800 
1 1 1 10 2  92  o 60.36749 18.00902 0.3266468      0.1614942     0.4820473      0.2621080     0.2315532      0.2050357     67.97130 23.23595 51.78627 20.07678 16.18502       30.70808 
1 1 1 10 2  93  o 47.83229 17.27911 0.1977202      0.1463644     -0.4018668E-01 0.2408343     0.3370523      0.1843064     39.36681 18.30847 59.15810 19.47466 -19.79129      26.72944 
1 1 1 10 2  94  o 127.7111 11.67894 1.286043       0.2036738     1.032253       0.2716837     1.611693       0.3077531     103.4986 19.73062 134.4554 16.95311 -30.95678      26.01355 
1 1 1 10 2  95  o 66.00672 15.75573 0.3983230      0.1416121     0.6191037      0.2039926     0.1929546      0.1967436     78.44737 19.02734 45.50404 18.93464 32.94333       26.84326 
1 1 1 10 2  96  o 161.7444 10.43171 2.088262       0.2317399     2.114351       0.3287415     2.062492       0.3267272     149.5329 16.17933 147.3147 16.33718 2.218201       22.99292 
1 1 1 10 2  97  o 74.54363 15.17139 0.5404561      0.1508505     0.8428593      0.2164877     0.2550496      0.2103158     87.50548 18.49554 44.20362 19.03141 43.30186       26.53827 
1 1 1 10 2  98  o 75.67339 14.71508 0.5807459      0.1482235     0.6350428      0.2116211     0.5284557      0.2076740     65.08872 20.82644 57.46946 20.60379 7.619263       29.29602 
1 1 1 10 2  99  o 44.11669 15.75167 0.2592656      0.1212598     0.2700742      0.1741848     0.2491016      0.1689112     39.59041 17.18155 38.76320 16.87107 0.8272171      24.07984 
1 1 1 10 2  100 o 25.60407 11.82937 0.3909769E-01  0.9807296E-01 -0.8382568E-01 0.1421137     0.1508687      0.1355138     23.50041 11.64499 31.71780 14.36803 -8.217386      18.49448 
1 1 1 10 2  101 o 20.92829 10.12854 -0.1715415E-01 0.8975869E-01 -0.1366118     0.1297958     0.9233275E-01  0.1242609     20.16295 10.15537 26.31840 12.51717 -6.155455      16.11866 
1 1 1 10 2  102 o 22.09420 10.68334 0.5337445E-01  0.9930841E-01 0.2402428      0.1436637     -0.1176293     0.1374302     27.34851 13.12870 19.15492 9.735666 8.193586       16.34460 
1 1 1 10 2  103 o 15.59720 7.907055 -0.9033038E-01 0.8669981E-01 -0.8407637E-02 0.1165810     -0.1917092     0.1296877     18.23755 9.237211 16.13270 8.290690 2.104856       12.41216 
1 1 1 10 2  104 o 16.45002 8.430094 0.2242847E-01  0.1229362     0.4108627      0.2000018     -0.2134548     0.1558560     18.88139 9.727482 14.93212 7.732367 3.949273       12.42632 
1 1 1 10 2  105 o 14.89605 7.686066 0.1098102      0.1336436     0.2634953      0.2130967     0.1017519E-01  0.1715801     15.00866 7.800128 14.22095 7.383286 0.7877140      10.74034 
1 1 1 10 2  106 o 11.81840 6.107721 -0.5808349E-01 0.9170391E-01 0.2314959E-01  0.1201184     -0.1715839     0.1419848     12.55972 6.512337 11.80656 6.139261 0.7531605      8.949920 
1 1 1 10 2  107 o 9.874028 5.120290 -0.1330757     0.7495350E-01 -0.2031577     0.1059019     -0.6273284E-01 0.1060989     10.17550 5.291267 10.80120 5.611417 -0.6256990     7.712686 
1 1 1 10 2  108 o 10.35459 5.383506 0.1574584      0.1062642     0.2924349      0.1520232     0.2849944E-01  0.1485958     10.32957 5.378913 9.821869 5.115037 0.5077019      7.422689 
1 1 1 10 2  109 o 8.661211 4.509699 0.1306779      0.1041521     0.1484511      0.1494034     0.1138744      0.1452701     8.528829 4.440674 8.493951 4.422857 0.3487778E-01  6.267475 
1 1 1 10 2  110 o 7.061363 3.677195 -0.2657762E-03 0.9349432E-01 0.1888286      0.1248571     -0.2416331     0.1410630     7.264636 3.780792 6.892063 3.582980 0.3725724      5.208852 
1 1 1 10 2  111 o 5.853299 3.042306 -0.3782363E-01 0.1039956     -0.8692151E-01 0.1644748     -0.5120386E-02 0.1342343     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  112 o ?        ?        0.4251246E-01  0.1302932     -0.9563839E-01 0.1848329     0.1789709      0.1836972     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  113 o ?        ?        0.1225133      0.1402212     -0.1319861     0.1982455     0.3773069      0.1983600     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  114 o ?        ?        -0.2089385     0.8468679E-01 0.1273455      0.1207199     -0.5347909     0.1188328     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  115 o ?        ?        0.1047220E-01  0.1271043     -0.2172375     0.1796119     0.2388971      0.1798937     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 2  116 o ?        ?        -0.7759834E-01 0.1285090     -0.4846459E-01 0.1604656     -0.1296991     0.2145881     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  0   f 72.99641 28.47512 0.5142607      0.2740167     0.000000       0.000000      0.5142607      0.2740167     72.99641 28.47512 72.99641 28.47512 0.000000       0.000000 
1 1 1 10 3  1   o 198.0724 13.20782 2.756073       0.3591663     2.537753       0.4377746     3.205634       0.6282011     188.9674 16.95793 210.6748 21.91551 -21.70744      27.71031 
1 1 1 10 3  2   o 228.2044 13.17355 3.654304       0.4133465     3.611688       0.5050892     3.740716       0.7192371     225.9064 16.30154 227.1263 23.26149 -1.219803      28.40488 
1 1 1 10 3  3   f 211.2445 13.23940 3.133521       0.3842304     2.627174       0.4660741     4.207690       0.6788393     192.0240 17.77944 242.2685 20.48430 -50.24448      27.12407 
1 1 1 10 3  4   o 205.3262 13.24983 2.961176       0.3736533     3.372326       0.4595098     2.158696       0.6419658     218.5641 15.32261 169.8370 28.37533 48.72705       32.24812 
1 1 1 10 3  5   o 309.7118 13.32835 6.711985       0.5699966     6.901509       0.6965252     6.327738       0.9917639     312.6736 16.18818 295.1696 24.55604 17.50403       29.41184 
1 1 1 10 3  6   o 205.5367 16.23098 2.992502       0.4569028     2.992502       0.4569028     0.000000       0.000000      205.5367 16.23098 ?        ?        0.000000       16.23098 
1 1 1 10 3  7   o 335.0051 13.30652 7.852977       0.6155363     7.852977       0.6155363     0.000000       0.000000      335.0051 13.30652 ?        ?        0.000000       13.30652 
1 1 1 10 3  8   o 208.4350 13.17614 3.050885       0.3772731     3.050885       0.3772731     0.000000       0.000000      208.4350 13.17614 ?        ?        0.000000       13.17614 
1 1 1 10 3  9   o 253.7836 11.38558 4.490852       0.3989851     4.465516       0.4591237     4.569006       0.8063775     252.3029 13.22464 251.0152 23.53981 1.287720       27.00025 
1 1 1 10 3  10  o 295.2036 11.46084 6.077344       0.4671713     5.994595       0.5375930     6.332584       0.9441580     292.6797 13.30219 295.9468 23.29257 -3.267151      26.82335 
1 1 1 10 3  11  o 375.7629 11.63422 9.849981       0.6036553     9.523006       0.6928807     10.87994       1.229733      368.7750 13.60689 388.5266 23.02464 -19.75156      26.74475 
1 1 1 10 3  12  o 267.6161 11.42039 4.994516       0.4220181     5.507760       0.4897657     3.514727       0.8316229     280.7162 12.63522 217.4794 28.36868 63.23674       31.05528 
1 1 1 10 3  13  o 256.3271 11.43862 4.582284       0.4048612     4.741886       0.4687739     4.113763       0.8031765     260.0316 13.09769 237.3631 24.87488 22.66846       28.11244 
1 1 1 10 3  14  o 227.0666 13.33088 3.620844       0.4161418     4.180918       0.5132737     2.546467       0.7108936     243.4034 15.35022 184.3855 28.86883 59.01788       32.69616 
1 1 1 10 3  15  o 296.8659 13.33899 6.169345       0.5467908     6.366016       0.6713120     5.781680       0.9425012     300.1503 16.25812 281.9472 24.45106 18.20313       29.36291 
1 1 1 10 3  16  o 285.2199 11.51803 5.675560       0.4536240     5.654462       0.6404029     5.696805       0.6426455     282.7072 16.47650 283.7696 16.47177 -1.062378      23.29794 
1 1 1 10 3  17  o 351.6196 11.62123 8.627910       0.5642391     8.566741       0.7984968     8.688913       0.7974135     348.4472 16.59580 350.9875 16.45333 -2.540314      23.36948 
1 1 1 10 3  18  o 276.4115 11.48304 5.331028       0.4382791     5.330581       0.6216842     5.331470       0.6179730     274.4144 16.48326 274.4785 16.37975 -0.6402588E-01 23.23777 
1 1 1 10 3  19  o 432.3419 10.58443 13.02261       0.6318773     13.35389       0.8194624     12.53676       0.9923803     436.5292 13.59495 421.1737 17.06392 15.35556       21.81743 
1 1 1 10 3  20  o 236.2590 10.24905 3.887122       0.3343566     3.471804       0.4287987     4.531323       0.5340404     222.0209 14.05949 253.3055 15.34067 -31.28461      20.80878 
1 1 1 10 3  21  o 267.7986 10.30003 4.995313       0.3808771     5.359149       0.4946878     4.465644       0.5968708     276.6742 12.94865 250.6322 17.35346 26.04202       21.65203 
1 1 1 10 3  22  o 213.7163 10.20332 3.181431       0.3011045     3.295226       0.3893760     3.012157       0.4748979     216.5147 13.08546 205.7551 16.86337 10.75960       21.34485 
1 1 1 10 3  23  o 253.2092 10.25169 4.466942       0.3584373     4.570366       0.4633083     4.312753       0.5657008     255.0413 13.20114 246.4332 16.72353 8.608078       21.30602 
1 1 1 10 3  24  o 163.7543 10.34120 1.875947       0.2326298     1.687576       0.2984710     2.167466       0.3713044     154.3770 14.15951 174.6917 15.55565 -20.31462      21.03498 
1 1 1 10 3  25  o 268.2127 10.31200 5.013609       0.3819093     5.008635       0.4928263     5.021085       0.6042501     267.2339 13.35563 265.9908 16.53358 1.243073       21.25399 
1 1 1 10 3  26  o 220.7059 10.31961 3.395483       0.3144960     2.947595       0.4023589     4.098819       0.5042087     204.2515 14.35753 240.6825 15.25029 -36.43103      20.94540 
1 1 1 10 3  27  o 340.3637 9.493992 8.064619       0.4462005     8.560931       0.6361125     7.583877       0.6260535     349.3473 13.18677 328.5621 13.79927 20.78519       19.08693 
1 1 1 10 3  28  o 167.9200 9.520755 1.969401       0.2198474     1.546866       0.3089575     2.402795       0.3129024     147.3060 15.41782 184.8506 12.32960 -37.54463      19.74153 
1 1 1 10 3  29  o 234.8299 10.27917 3.845614       0.3333106     4.581703       0.5351748     3.379163       0.4260238     254.3533 15.30905 218.7138 14.18301 35.63959       20.86923 
1 1 1 10 3  30  f 117.7173 10.64077 0.9748833      0.1710925     0.8573461      0.2712791     1.052515       0.2204697     108.1695 18.84745 121.7322 13.33427 -13.56270      23.08743 
1 1 1 10 3  31  f 236.4465 10.27898 3.900488       0.3355991     3.918962       0.4358540     3.873586       0.5259619     235.7742 13.44342 233.2171 16.43783 2.557114       21.23506 
1 1 1 10 3  32  o 86.28512 11.02427 0.5285012      0.1283456     0.5402412      0.1682148     0.5121450      0.1985501     86.40649 14.62022 83.30610 17.80075 3.100388       23.03514 
1 1 1 10 3  33  f 71.25403 10.66993 0.3622433      0.1017506     0.3307414      0.1452157     0.3926263      0.1426137     67.02955 15.92514 73.37605 14.58938 -6.346504      21.59768 
1 1 1 10 3  34  o 70.44418 10.94109 0.3548680      0.1029722     0.3077822      0.1477880     0.3992944      0.1435536     64.61351 16.50493 73.99550 14.56839 -9.381989      22.01478 
1 1 1 10 3  35  f 127.7285 9.755933 1.144596       0.1707645     1.123822       0.2434089     1.164730       0.2396305     125.4201 14.31127 127.8582 13.79132 -2.438126      19.87494 
1 1 1 10 3  36  o 163.2307 10.57631 1.870192       0.2370999     1.447278       0.3045458     2.520989       0.3777885     142.0029 15.79951 188.2999 14.64504 -46.29695      21.54302 
1 1 1 10 3  37  o 215.6416 11.64164 3.269473       0.3453606     3.202586       0.4882017     3.336477       0.4886259     211.3431 16.86969 215.9044 16.51519 -4.561325      23.60801 
1 1 1 10 3  38  o 218.4617 10.35892 3.336177       0.3124841     3.021680       0.4922024     3.548528       0.4044474     204.8856 17.56771 224.1122 13.12676 -19.22655      21.93026 
1 1 1 10 3  39  o 204.4285 10.39732 2.929410       0.2925273     3.035329       0.4640757     2.859578       0.3768147     205.8073 16.46808 200.8752 13.66638 4.932159       21.40017 
1 1 1 10 3  40  o 176.5375 9.548192 2.181315       0.2318881     2.080449       0.3284133     2.281600       0.3274674     171.0534 14.02780 179.4326 13.31178 -8.379120      19.33863 
1 1 1 10 3  41  o 220.7778 9.477333 3.401937       0.2889212     3.423558       0.4099461     3.380599       0.4072597     219.8479 13.57047 218.4608 13.56789 1.387146       19.18972 
1 1 1 10 3  42  o 171.7660 9.842310 2.067627       0.2324656     2.142035       0.4070607     2.031615       0.2831866     172.2188 17.35401 169.5948 12.17366 2.623962       21.19811 
1 1 1 10 3  43  o 268.8825 10.48271 5.059316       0.3892010     5.220738       0.6210894     4.954944       0.4994195     269.8818 16.74914 264.5048 13.72108 5.377075       21.65182 
1 1 1 10 3  44  o 219.5832 9.593639 3.367062       0.2908844     3.393946       0.4135900     3.340746       0.4091908     218.7521 13.76256 217.0405 13.72427 1.711624       19.43615 
1 1 1 10 3  45  o 294.7918 8.843815 6.058823       0.3599921     6.299809       0.5549110     5.883697       0.4730443     298.6917 13.45433 289.3867 11.83819 9.305054       17.92099 
1 1 1 10 3  46  o 146.6542 9.044599 1.505814       0.1822625     1.644788       0.2833102     1.407681       0.2380689     151.9965 13.64397 140.9229 12.35925 11.07359       18.40948 
1 1 1 10 3  47  o 102.6509 9.521270 0.7420098      0.1334210     0.7702118      0.2092351     0.7226849      0.1732025     103.1220 15.14543 100.5146 12.76721 2.607437       19.80873 
1 1 1 10 3  48  o 114.5164 10.23211 0.9246663      0.1600932     1.100281       0.2311247     0.7626957      0.2219649     124.0347 13.72478 102.2342 16.26867 21.80045       21.28472 
1 1 1 10 3  49  o 268.0674 9.581355 5.021035       0.3546573     4.734665       0.5015506     5.307429       0.5015718     258.1623 14.12321 274.1224 13.25106 -15.96008      19.36635 
1 1 1 10 3  50  o 128.1278 9.368075 1.152507       0.1645927     1.471765       0.2578664     0.9330145      0.2138126     143.8132 13.13029 114.0329 13.86416 29.78024       19.09501 
1 1 1 10 3  51  o 106.9380 9.457496 0.8049870      0.1382118     0.7399313      0.2108539     0.8539966      0.1830118     100.8146 15.65453 109.4630 12.32232 -8.648354      19.92244 
1 1 1 10 3  52  o 156.4936 9.748837 1.718893       0.2096163     1.761985       0.2979145     1.676643       0.2949916     157.1592 13.87052 153.1948 14.10367 3.964386       19.78143 
1 1 1 10 3  53  o 263.5415 8.868427 4.846555       0.3227257     4.528000       0.4262946     5.274242       0.4939487     253.5468 12.17625 273.2214 13.09270 -19.67458      17.87959 
1 1 1 10 3  54  o 147.3264 9.326391 1.522280       0.1887494     1.582926       0.2888367     1.477079       0.2493576     148.7383 14.23739 144.1739 12.65354 4.564346       19.04771 
1 1 1 10 3  55  o 267.2585 8.909742 4.985620       0.3288021     4.799152       0.5008824     5.126818       0.4358613     259.7931 14.01457 269.9586 11.69266 -10.16553      18.25175 
1 1 1 10 3  56  o 256.5251 8.934788 4.593952       0.3164843     4.752894       0.4844521     4.475616       0.4180140     258.7190 13.60861 252.0804 12.00919 6.638611       18.14979 
1 1 1 10 3  57  o 244.4479 8.923179 4.172032       0.3011923     4.194860       0.4596111     4.154850       0.3987446     242.9016 13.75974 242.8972 11.88870 0.4440308E-02  18.18438 
1 1 1 10 3  58  o 336.0753 8.988379 7.888803       0.4171151     8.354239       0.6407930     7.546587       0.5494626     343.3636 13.51529 327.1429 12.16361 16.22067       18.18287 
1 1 1 10 3  59  o 180.2362 9.212054 2.276617       0.2284984     2.505202       0.3500841     2.106963       0.3016002     187.4837 13.61584 172.1890 12.77603 15.29468       18.67132 
1 1 1 10 3  60  o 114.9582 10.44143 0.9347435      0.1639364     0.9987293      0.2327672     0.8717659      0.2309258     117.5516 14.65874 109.3360 15.75022 8.215622       21.51623 
1 1 1 10 3  61  o 137.6724 11.05826 1.341792       0.2084451     1.440775       0.3259293     1.273287       0.2711455     140.3442 17.17719 132.6967 15.06505 7.647537       22.84757 
1 1 1 10 3  62  o 175.0492 9.958408 2.156524       0.2397117     2.178506       0.4087038     2.144997       0.2959633     172.6743 17.37733 173.6700 12.42375 -0.9957123     21.36168 
1 1 1 10 3  63  o 138.4668 10.38516 1.355435       0.1971159     1.330360       0.3398173     1.368150       0.2419875     133.6741 18.94016 138.2859 12.81868 -4.611847      22.87025 
1 1 1 10 3  64  o 103.2360 12.65368 0.7674562      0.1766026     0.9183809      0.2716919     0.6570333      0.2323947     110.7567 18.41155 93.20927 18.70661 17.54738       26.24733 
1 1 1 10 3  65  o 173.9852 10.45299 2.141834       0.2499607     2.528594       0.3519582     1.748233       0.3550577     187.5180 13.68738 154.0676 16.97125 33.45038       21.80293 
1 1 1 10 3  66  o 218.6260 9.251691 3.360233       0.2792935     3.590360       0.4269730     3.188126       0.3692469     223.0904 13.93027 210.9246 12.73779 12.16585       18.87601 
1 1 1 10 3  67  f 164.0126 9.774156 1.904304       0.2203528     2.521628       0.3399169     1.456847       0.2893960     186.9561 13.25314 140.9312 15.10673 46.02486       20.09624 
1 1 1 10 3  68  o 124.1327 10.21614 1.098176       0.1735554     1.383419       0.2664785     0.8880491      0.2287153     137.5091 14.24078 109.2632 15.60256 28.24597       21.12439 
1 1 1 10 3  69  o 111.4255 11.81170 0.8982147      0.1789624     1.126055       0.2541921     0.6742799      0.2520042     123.1249 15.27969 92.35366 20.31352 30.77124       25.41866 
1 1 1 10 3  70  o 257.1010 11.24329 4.733593       0.3991489     5.335966       0.6451925     4.360101       0.5080389     265.5994 17.69362 242.7608 15.23306 22.83864       23.34760 
1 1 1 10 3  71  o 73.98142 14.83428 0.4161537      0.1462651     0.5992881      0.2799117     0.3473670      0.1715489     84.56149 23.24968 66.34746 18.18448 18.21404       29.51649 
1 1 1 10 3  72  o 104.6163 10.97998 0.7943060      0.1562476     0.8099228      0.2395566     0.7827437      0.2061271     101.9688 17.65309 101.7096 15.13840 0.2592697      23.25517 
1 1 1 10 3  73  o 68.76067 14.23070 0.3612800      0.1306623     0.3333890      0.1903695     0.3861222      0.1796636     64.26028 19.63927 69.30515 18.44793 -5.044876      26.94489 
1 1 1 10 3  74  o 75.91012 11.89426 0.4278104      0.1205784     0.4576300      0.1732953     0.3998250      0.1678808     76.09095 16.93022 70.84045 17.30977 5.250504       24.21282 
1 1 1 10 3  75  o 90.40468 11.29451 0.6008199      0.1379163     0.7079140      0.1993690     0.5025414      0.1909872     95.78978 15.61073 79.10636 17.90220 16.68342       23.75255 
1 1 1 10 3  76  o 72.50159 12.66136 0.3960962      0.1221427     0.5419489      0.1772387     0.2641780      0.1685597     83.22649 16.00387 57.55883 18.60505 25.66766       24.54123 
1 1 1 10 3  77  o 115.2212 10.37189 0.9655060      0.1632482     1.015383       0.2353419     0.9192494      0.2266397     115.0114 15.19079 109.1727 15.46696 5.838654       21.67919 
1 1 1 10 3  78  o 165.1013 9.438912 1.961260       0.2142911     2.330533       0.3082889     1.616049       0.2980757     177.2054 12.68305 145.3596 15.06957 31.84579       19.69649 
1 1 1 10 3  79  o 100.2810 11.08343 0.7396583      0.1509072     0.8103107      0.2170382     0.6735344      0.2099674     101.8908 15.94955 91.90401 17.17706 9.986748       23.44012 
1 1 1 10 3  80  o 150.9112 9.648729 1.644069       0.2000097     1.749881       0.2846218     1.540841       0.2811235     152.4585 13.66508 142.2624 14.51427 10.19611       19.93485 
1 1 1 10 3  81  o 74.32053 13.35824 0.4214992      0.1320475     0.3543331      0.1738712     0.5130331      0.2029754     65.59641 18.43209 78.78364 18.90046 -13.18723      26.40017 
1 1 1 10 3  82  o 55.07400 16.12760 0.2404289      0.1305054     0.1075884      0.1799257     0.3879034      0.1895774     45.37648 18.40899 68.23391 19.27242 -22.85743      26.65177 
1 1 1 10 3  83  o 100.5718 12.64596 0.7571246      0.1717338     1.027054       0.2422020     0.4842045      0.2435401     115.1350 15.63939 74.51752 22.08943 40.61747       27.06536 
1 1 1 10 3  84  o 77.06465 14.33757 0.4588160      0.1469548     0.3240004      0.2021847     0.6098014      0.2139665     62.32794 20.39153 86.34151 18.50330 -24.01357      27.53519 
1 1 1 10 3  85  o 87.30364 13.99207 0.5844415      0.1629788     0.4573794      0.1954274     0.8746479      0.2953458     74.02695 19.01755 100.6680 21.87247 -26.64101      28.98399 
1 1 1 10 3  86  o 73.75711 14.97054 0.4278403      0.1472594     0.3014517      0.1767129     0.7150694      0.2663966     60.19467 19.00719 90.54617 21.60765 -30.35150      28.77784 
1 1 1 10 3  87  o 92.43366 12.13816 0.6435961      0.1511792     0.6396528      0.1999158     0.6488632      0.2310463     88.86868 16.90929 87.29699 19.64230 1.571693       25.91802 
1 1 1 10 3  88  o 67.00808 15.72925 0.3650502      0.1430425     0.4226890      0.2059229     0.3113042      0.1988479     69.07339 20.26749 59.88080 20.23973 9.192585       28.64294 
1 1 1 10 3  89  o 95.50081 13.34809 0.7098698      0.1712102     0.9037715      0.2104857     0.3307270      0.2943290     106.7196 14.67177 60.13433 23.83151 46.58522       27.98574 
1 1 1 10 3  90  o 70.15509 15.82814 0.4118270      0.1496835     0.4060544      0.1836620     0.4232458      0.2583115     67.03902 18.98141 64.85916 23.00787 2.179863       29.82710 
1 1 1 10 3  91  f 117.3630 14.06229 1.111851       0.2233521     0.8506274      0.3533357     1.285697       0.2882458     84.50978 26.89729 121.4898 17.70272 -36.98006      32.20017 
1 1 1 10 3  92  o 84.36320 15.16116 0.6045445      0.1701211     0.6029344      0.2394760     0.6061848      0.2417147     76.05006 21.72404 76.06661 21.85542 -0.1655579E-01 30.81547 
1 1 1 10 3  93  o 97.42974 13.02474 0.7808502      0.1708398     0.7496006      0.2264349     0.8221450      0.2602967     87.52129 19.25918 88.15005 21.56272 -0.6287613     28.91136 
1 1 1 10 3  94  o 110.6133 12.48273 1.017772       0.1873233     1.004132       0.2481694     1.035834       0.2855836     100.4779 18.57117 95.76688 22.05199 4.711014       28.83017 
1 1 1 10 3  95  o 74.36678 15.72893 0.5316992      0.1564712     0.6384625      0.2083745     0.3936652      0.2369335     74.67482 19.86264 52.69746 21.21374 21.97736       29.06109 
1 1 1 10 3  96  o 109.0629 12.87462 1.077700       0.1901491     1.028696       0.2522831     1.142154       0.2893307     91.21446 20.52623 89.58682 23.20369 1.627640       30.97963 
1 1 1 10 3  97  o 37.88320 15.28258 0.1714059      0.1232497     0.3603394      0.1647314     -0.6884186E-01 0.1857598     49.28880 18.24624 28.66350 14.02647 20.62530       23.01450 
1 1 1 10 3  98  o 36.54875 14.92574 0.1850103      0.1192408     0.2288722      0.1587013     0.1281486      0.1806953     36.92806 16.20515 32.04487 15.19794 4.883190       22.21675 
1 1 1 10 3  99  o 27.62772 12.64930 0.8599548E-01  0.1086485     0.7492317E-01  0.1454412     0.9997646E-01  0.1634319     27.38374 13.16251 28.25946 13.67428 -0.8757267     18.97993 
1 1 1 10 3  100 o 26.30288 12.28635 0.1125562      0.1103592     0.3492815      0.1482678     -0.1815138     0.1652531     35.07985 15.51752 20.47870 10.43412 14.60114       18.69931 
1 1 1 10 3  101 o 22.08743 10.85836 0.8384203E-01  0.1153555     0.1731246E-01  0.1429881     0.2078563      0.1952218     20.65460 10.43437 23.22336 11.78295 -2.568764      15.73893 
1 1 1 10 3  102 o 18.78842 9.516569 0.7392359E-01  0.1238109     0.1498596      0.1620595     -0.3253518E-01 0.1918851     19.43853 9.939832 17.81583 9.193292 1.622692       13.53946 
1 1 1 10 3  103 o 17.34738 8.887620 0.1913671      0.1356335     0.8503578E-01  0.2177932     0.2587325      0.1733533     15.93950 8.276326 17.16394 8.852220 -1.224442      12.11856 
1 1 1 10 3  104 o 13.05686 6.741672 -0.3976645E-01 0.1061862     -0.1750735     0.1402297     0.1421006      0.1625761     12.65088 6.570173 14.16223 7.348959 -1.511353      9.857706 
1 1 1 10 3  105 o 12.57861 6.507438 0.7976788E-01  0.1068075     0.1047445      0.1405105     0.4558473E-01  0.1643796     12.50932 6.498048 12.23894 6.367344 0.2703753      9.097676 
1 1 1 10 3  106 o 10.54217 5.470251 -0.1854230E-01 0.8971248E-01 0.3809639E-01  0.1280647     -0.7312008E-01 0.1257132     10.84554 5.641983 10.47764 5.452180 0.3678932      7.845906 
1 1 1 10 3  107 o 9.803800 5.099859 0.1172146      0.1042274     0.1193963      0.1474840     0.1150379      0.1473158     9.620803 5.010210 9.613430 5.006361 0.7372856E-02  7.082786 
1 1 1 10 3  108 o 8.095391 4.215847 0.3920778E-01  0.1024331     0.5267396E-01  0.1359830     0.2154336E-01  0.1557442     8.086390 4.210034 8.045446 4.186936 0.4094410E-01  5.937577 
1 1 1 10 3  109 o 6.237659 3.248258 -0.2365765     0.7398450E-01 -0.4592465     0.1046020     -0.1366856E-01 0.1046578     ?        ?        6.746699 3.511657 0.000000       3.511657 
1 1 1 10 3  110 o ?        ?        0.5442687E-01  0.1252070     -0.9945298E-01 0.1967930     0.1590807      0.1622918     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  111 o ?        ?        -0.8210745E-01 0.1135136     -0.1029625     0.1652532     -0.6347624E-01 0.1561944     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  112 o ?        ?        0.1362607      0.1449376     0.1844397      0.2099082     0.9236071E-01  0.2003699     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  113 o ?        ?        0.2116525      0.1540651     0.2733164      0.2248508     0.1570827      0.2115216     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  114 o ?        ?        0.5374238E-01  0.1332882     0.2964588      0.1968191     -0.1518670     0.1811503     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 3  115 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 4  0   o 274.6367 23.83635 5.441154       0.8882686     0.000000       0.000000      5.441154       0.8882686     274.6367 23.83635 274.6367 23.83635 0.000000       0.000000 
1 1 1 10 4  1   o 321.6932 13.40125 7.249907       0.5952852     7.189734       0.7274942     7.371837       1.035572      318.7287 16.58720 318.7577 23.69726 -0.2893066E-01 28.92569 
1 1 1 10 4  2   f 158.3278 13.33420 1.767766       0.2888021     2.093078       0.3540632     1.121030       0.4992220     171.9021 15.06839 120.7815 30.05435 51.12062       33.62024 
1 1 1 10 4  3   o 195.0443 11.46576 2.663676       0.3074397     2.610673       0.3542841     2.825292       0.6186492     192.5953 13.40553 196.8126 23.21075 -4.217285      26.80386 
1 1 1 10 4  4   o 179.2348 11.49184 2.250935       0.2829147     2.441888       0.3270477     1.683166       0.5639406     186.3952 12.78412 149.1994 28.41104 37.19588       31.15479 
1 1 1 10 4  5   o 327.4575 11.56475 7.484950       0.5229128     7.185406       0.6002903     8.427373       1.064766      320.1771 13.57792 341.5204 22.70815 -21.34335      26.45789 
1 1 1 10 4  6   o 163.2458 11.48560 1.868875       0.2572515     2.220968       0.2973883     0.8221802      0.5127488     177.8637 12.18211 104.1207 32.29989 73.74297       34.52081 
1 1 1 10 4  7   o 256.1980 11.41232 4.580814       0.4037268     4.455220       0.4639815     4.972355       0.8192300     251.8139 13.39205 261.8497 22.88766 -10.03577      26.51777 
1 1 1 10 4  8   o 185.6969 11.42826 2.415605       0.2916143     2.487937       0.3359580     2.194573       0.5872808     188.0692 13.01693 172.1208 25.47994 15.94833       28.61237 
1 1 1 10 4  9   o 175.5023 11.43668 2.158829       0.2756393     2.000941       0.3162012     2.658527       0.5625262     168.3753 13.71955 191.4001 21.66604 -23.02481      25.64456 
1 1 1 10 4  10  o 164.8142 11.49275 1.905383       0.2599140     2.063773       0.2997361     1.425265       0.5218530     171.2529 12.76718 136.8326 28.54340 34.42036       31.26862 
1 1 1 10 4  11  o 268.7964 11.44500 5.044427       0.4247930     5.014189       0.4890906     5.137283       0.8570853     267.4863 13.24188 265.5978 23.61656 1.888519       27.07562 
1 1 1 10 4  12  o 251.9849 11.48437 4.433944       0.3995945     4.093839       0.4577128     5.523883       0.8193844     241.1500 13.80305 276.5687 21.62809 -35.41869      25.65733 
1 1 1 10 4  13  o 255.9053 11.49768 4.573457       0.4062819     4.753459       0.4688502     4.030822       0.8140439     260.1399 13.09427 233.8693 25.62757 26.27052       28.77903 
1 1 1 10 4  14  o 187.6929 13.35968 2.482118       0.3439834     2.459244       0.4173341     2.530586       0.6074858     185.8720 16.42961 185.3772 24.31911 0.4948730      29.34879 
1 1 1 10 4  15  o 151.4804 13.49690 1.621816       0.2793539     1.718962       0.3383941     1.413953       0.4949919     155.2731 16.01277 136.6753 27.18508 18.59784       31.55055 
1 1 1 10 4  16  o 332.6608 13.48974 7.764436       0.6196453     7.768655       0.7534627     7.755621       1.089171      331.4573 16.46251 325.8572 24.38318 5.600067       29.42030 
1 1 1 10 4  17  o 202.7647 11.55931 2.881718       0.3222993     2.724493       0.4508824     3.045995       0.4608822     195.4861 16.86878 206.9982 16.25519 -11.51212      23.42620 
1 1 1 10 4  18  o 103.9715 11.98237 0.7656804      0.1688783     0.8419037      0.2364417     0.6862979      0.2412923     107.9900 16.36950 96.64506 18.75764 11.34492       24.89597 
1 1 1 10 4  19  f 259.7980 11.52719 4.717265       0.4135206     4.653725       0.5833064     4.781463       0.5863182     255.8848 16.59835 259.4509 16.45103 -3.566116      23.36967 
1 1 1 10 4  20  o 242.7454 11.49256 4.118444       0.3852174     4.239170       0.5455326     3.998382       0.5440298     244.2913 16.26539 237.0300 16.72934 7.261292       23.33310 
1 1 1 10 4  21  o 138.0457 11.73524 1.342061       0.2215720     1.330463       0.3114984     1.353940       0.3152352     136.0174 16.95332 137.2144 17.00196 -1.196976      24.01003 
1 1 1 10 4  22  f 124.7317 10.50440 1.092929       0.1792357     1.092312       0.2824893     1.093345       0.2318901     122.9984 17.09496 123.9987 13.77626 -1.000275      21.95502 
1 1 1 10 4  23  o 102.8598 9.780729 0.7437712      0.1372448     0.7932798      0.1928594     0.6929749      0.1953516     105.4261 13.56265 98.08937 14.89099 7.336708       20.14168 
1 1 1 10 4  24  o 235.5369 10.26301 3.870335       0.3337889     3.609626       0.5251521     4.047053       0.4323607     224.8422 17.04159 239.7324 13.11083 -14.89027      21.50139 
1 1 1 10 4  25  o 231.0805 10.23678 3.725812       0.3266365     3.700772       0.5165624     3.742494       0.4216289     227.8396 16.53188 230.4011 13.30949 -2.561447      21.22370 
1 1 1 10 4  26  o 148.7133 13.46555 1.567396       0.2735116     1.638461       0.3362958     1.428538       0.4700843     151.1642 16.37313 137.3936 25.72370 13.77060       30.49243 
1 1 1 10 4  27  o 154.1957 11.69586 1.674325       0.2471700     1.907468       0.2872148     1.008725       0.4852912     164.3435 12.75654 113.4313 30.37655 50.91222       32.94638 
1 1 1 10 4  28  o 155.1008 11.64192 1.694085       0.2475123     1.876723       0.2874890     1.170938       0.4865607     162.9440 12.88252 122.5496 29.17349 40.39441       31.89125 
1 1 1 10 4  29  o 171.9256 11.60516 2.079931       0.2738925     2.024661       0.3836382     2.137388       0.3911562     167.9132 16.77056 172.6252 16.61520 -4.711990      23.60755 
1 1 1 10 4  30  o 97.16844 10.94918 0.6686064      0.1443472     0.6567065      0.2247113     0.6769663      0.1883452     94.43750 17.88713 96.89119 14.52537 -2.453690      23.04205 
1 1 1 10 4  31  o 245.8216 10.33814 4.222793       0.3509139     4.251902       0.5529689     4.203166       0.4540571     243.8976 16.51669 243.8534 13.53800 0.4418945E-01  21.35599 
1 1 1 10 4  32  o 194.5487 10.42568 2.653267       0.2790537     2.488408       0.4380288     2.765882       0.3620273     185.9595 17.25532 197.7076 13.33911 -11.74805      21.81004 
1 1 1 10 4  33  o 167.5488 9.513027 1.964753       0.2191814     2.151417       0.3104207     1.779171       0.3095198     174.3623 12.98627 158.0401 14.33960 16.32211       19.34599 
1 1 1 10 4  34  o 201.7824 9.468854 2.840977       0.2638267     2.769037       0.3727497     2.913194       0.3734660     197.6199 13.74548 202.8480 13.40909 -5.228012      19.20265 
1 1 1 10 4  35  o 81.59849 10.51300 0.4731382      0.1156982     0.4477857      0.1624069     0.4992638      0.1648647     78.11514 15.60280 82.75199 14.97965 -4.636848      21.62955 
1 1 1 10 4  36  o 252.8457 9.477134 4.461882       0.3308801     4.548394       0.4685832     4.375846       0.4672898     253.5828 13.43010 248.6081 13.66479 4.974716       19.15970 
1 1 1 10 4  37  o 116.6770 11.04595 0.9620073      0.1758431     1.140074       0.2842636     0.8516343      0.2238008     125.3460 16.85061 108.5327 15.36268 16.81329       22.80252 
1 1 1 10 4  38  o 117.6725 11.05135 0.9784920      0.1774639     1.038194       0.2860932     0.9411535      0.2262519     119.1225 17.95028 114.3947 14.66083 4.727859       23.17655 
1 1 1 10 4  39  f 202.6002 10.55628 2.880510       0.2942953     2.964215       0.4703407     2.826654       0.3772733     202.9994 16.93410 199.5651 13.77529 3.434219       21.82939 
1 1 1 10 4  40  o 234.0436 9.602267 3.825380       0.3103192     3.610089       0.4372388     4.043889       0.4404944     225.4706 14.11512 239.0001 13.40170 -13.52951      19.46386 
1 1 1 10 4  41  f 185.6855 9.625562 2.414489       0.2459513     2.360199       0.3470114     2.469293       0.3486498     182.1966 13.89805 186.4822 13.63437 -4.285553      19.46926 
1 1 1 10 4  42  o 268.3680 9.612467 5.030823       0.3562080     4.846696       0.5018118     5.217827       0.5057192     261.3941 13.95340 271.7925 13.47516 -10.39841      19.39787 
1 1 1 10 4  43  o 306.0881 9.660943 6.545850       0.4083230     6.991012       0.5812491     6.112123       0.5737361     314.6223 13.37935 293.7951 14.14261 20.82712       19.46845 
1 1 1 10 4  44  o 354.9293 10.65502 8.825490       0.5221965     9.014030       0.6754546     8.545387       0.8232911     357.0116 13.70174 344.7628 17.34945 12.24875       22.10749 
1 1 1 10 4  45  o 296.9254 10.63923 6.177287       0.4362101     6.411267       0.5643322     5.829981       0.6875443     301.1190 13.57247 284.3988 17.59434 16.72015       22.22100 
1 1 1 10 4  46  o 127.8289 10.14043 1.150355       0.1775185     1.297864       0.2535863     1.008605       0.2485866     134.7622 13.82331 118.0480 15.63511 16.71411       20.86961 
1 1 1 10 4  47  o 130.5311 10.09946 1.199186       0.1806163     1.253840       0.2571941     1.146006       0.2537019     132.2576 14.31149 126.2053 14.84173 6.052246       20.61784 
1 1 1 10 4  48  o 196.2178 10.68471 2.706657       0.2884030     2.935825       0.4564531     2.554377       0.3720834     201.9355 16.51438 189.2452 14.34562 12.69028       21.87514 
1 1 1 10 4  49  o 261.9680 11.73124 4.826596       0.4243557     4.853974       0.6034775     4.799817       0.5968367     259.6656 16.92345 258.2669 16.82780 1.398712       23.86584 
1 1 1 10 4  50  o 173.4048 10.72032 2.116283       0.2554297     1.994136       0.3322592     2.292785       0.3994024     166.9698 14.55685 178.3110 16.40564 -11.34122      21.93278 
1 1 1 10 4  51  o 155.7768 10.05856 1.705489       0.2152040     1.971149       0.3053742     1.443382       0.3033251     166.4225 13.40229 141.3894 15.80702 25.03311       20.72398 
1 1 1 10 4  52  o 274.9638 8.962678 5.278111       0.3402917     5.495347       0.4505471     4.989611       0.5192155     279.4930 11.67431 264.7684 14.25430 14.72458       18.42484 
1 1 1 10 4  53  o 202.0479 9.050881 2.850907       0.2525127     2.973704       0.3329885     2.684734       0.3873609     205.2203 11.80058 193.8250 14.58013 11.39528       18.75723 
1 1 1 10 4  54  o 145.4909 8.617508 1.481878       0.1723520     1.586238       0.2441863     1.378274       0.2433010     149.6257 11.91773 139.1290 12.80834 10.49670       17.49531 
1 1 1 10 4  55  o 129.2333 9.415394 1.173854       0.1668605     1.170457       0.2212830     1.178331       0.2540483     128.1370 12.67259 127.9092 14.64798 0.2277832      19.36899 
1 1 1 10 4  56  o 290.5667 9.653352 5.909944       0.3873129     6.214456       0.5481117     5.606249       0.5473753     296.0829 13.40657 280.4647 14.18016 15.61819       19.51443 
1 1 1 10 4  57  o 154.0107 9.844753 1.668351       0.2082651     1.680513       0.2930063     1.655933       0.2960804     153.1486 14.01087 151.9083 14.28302 1.240295       20.00773 
1 1 1 10 4  58  o 140.6375 9.221242 1.389619       0.1780811     1.476900       0.2704822     1.322838       0.2365952     143.5017 13.82127 136.1343 12.73430 7.367386       18.79335 
1 1 1 10 4  59  o 91.25077 9.674676 0.5899644      0.1200427     0.6302633      0.1712099     0.5509970      0.1683579     93.21313 13.71161 86.77223 14.56749 6.440903       20.00550 
1 1 1 10 4  60  o 140.4159 9.349579 1.387683       0.1802422     1.415867       0.2767596     1.366924       0.2375185     140.0002 14.52800 138.3036 12.57468 1.696579       19.21420 
1 1 1 10 4  61  o 157.9287 9.308963 1.755037       0.2021043     1.874229       0.3113425     1.668236       0.2656924     161.2987 14.12103 152.7223 12.71462 8.576431       19.00171 
1 1 1 10 4  62  o 98.86671 11.72662 0.7018539      0.1569679     0.7416832      0.2174037     0.6584800      0.2268711     99.98142 16.30982 93.29967 18.26383 6.681747       24.48628 
1 1 1 10 4  63  o 285.3660 9.876780 5.738884       0.3891846     5.952718       0.5491824     5.523160       0.5516060     287.8487 13.81702 276.3960 14.50369 11.45270       20.03165 
1 1 1 10 4  64  o 183.8258 9.313777 2.384990       0.2356406     2.447453       0.3599897     2.338162       0.3116954     183.5508 14.31673 180.3962 12.59209 3.154602       19.06645 
1 1 1 10 4  65  o 116.3530 10.22741 0.9654415      0.1626481     0.9799430      0.2485731     0.9545844      0.2150828     114.6189 16.15381 114.1747 13.93155 0.4442062      21.33152 
1 1 1 10 4  66  o 193.2227 10.15982 2.655206       0.2701185     2.769759       0.3819852     2.540630       0.3820254     194.6091 14.31545 185.8305 15.01634 8.778671       20.74662 
1 1 1 10 4  67  o 146.1550 11.97758 1.544920       0.2396013     1.747486       0.3930778     1.425158       0.3022421     150.2918 19.39355 137.8136 16.19126 12.47818       25.26394 
1 1 1 10 4  68  o 28.10169 12.01931 0.3167929E-02  0.8288385E-01 0.8294115E-01  0.1935788     -0.1473947E-01 0.9171609E-01 45.89757 18.91182 28.10843 12.32743 17.78914       22.57482 
1 1 1 10 4  69  o 145.7090 9.816842 1.519490       0.1963623     1.679792       0.3032192     1.403706       0.2576976     149.9530 14.83889 137.7304 13.73323 12.22260       20.21866 
1 1 1 10 4  70  f 91.34336 12.65330 0.6184270      0.1553086     0.6935126      0.2254915     0.5506600      0.2142207     93.74320 18.07537 82.67933 19.14173 11.06387       26.32727 
1 1 1 10 4  71  o 155.4332 10.49081 1.744527       0.2238421     1.741159       0.3220277     1.747676       0.3113628     151.3541 15.63376 152.1722 15.01383 -0.8181152     21.67556 
1 1 1 10 4  72  o 89.38921 11.56564 0.5887862      0.1394081     0.4575279      0.2156122     0.6830775      0.1827451     74.11967 20.41625 94.83870 14.40805 -20.71903      24.98830 
1 1 1 10 4  73  o 57.30616 13.68521 0.2528730      0.1067990     0.4096107      0.1645808     0.1388638      0.1403661     71.69936 16.89990 45.47221 16.84099 26.22715       23.85845 
1 1 1 10 4  74  o 77.19339 12.25325 0.4460668      0.1262442     0.5864072      0.1954784     0.3456507      0.1653520     85.91793 17.07854 65.29450 17.83529 20.62343       24.69361 
1 1 1 10 4  75  o 134.9751 10.17644 1.320743       0.1882703     1.475989       0.2913317     1.209415       0.2467066     138.5784 15.48988 126.1828 14.41818 12.39559       21.16177 
1 1 1 10 4  76  o 65.41003 13.83890 0.3301804      0.1210916     0.4658747      0.1867300     0.2317039      0.1590742     75.54673 18.13107 54.26827 18.10353 21.27846       25.62174 
1 1 1 10 4  77  o 88.30444 12.01404 0.5813622      0.1426877     0.5345466      0.2183113     0.6162763      0.1885304     79.81181 19.88286 88.58660 16.00146 -8.774796      25.52205 
1 1 1 10 4  78  o 162.0263 10.72599 1.913233       0.2386147     2.138456       0.3416233     1.698684       0.3334301     167.3202 14.94360 147.3134 16.68600 20.00687       22.39942 
1 1 1 10 4  79  o 72.08276 14.96173 0.4058391      0.1440439     0.3606083      0.2229902     0.4382273      0.1886954     65.19202 21.41922 72.85105 18.67187 -7.659027      28.41516 
1 1 1 10 4  80  o 136.5544 11.08664 1.365266       0.2072419     1.565600       0.3545313     1.261280       0.2554265     139.2085 18.93514 128.5609 14.65027 10.64761       23.94097 
1 1 1 10 4  81  o 73.81048 14.03668 0.4195367      0.1378324     0.3325628      0.2289481     0.4689783      0.1726191     63.02050 21.70986 76.56409 16.79004 -13.54359      27.44492 
1 1 1 10 4  82  o 53.47446 14.69509 0.2241933      0.1118559     0.7008137E-01  0.1662102     0.3517702      0.1512256     41.86085 17.40980 66.14614 16.58710 -24.28529      24.04648 
1 1 1 10 4  83  f 89.28426 12.47813 0.5994021      0.1496338     0.6810687      0.1926959     0.4753618      0.2374829     93.33234 15.49556 73.61288 21.81112 19.71945       26.75513 
1 1 1 10 4  84  o 23.97011 11.04013 -0.5402560E-01 0.8446284E-01 -0.1078292     0.1028431     0.5746565E-01  0.1480436     24.20486 11.47560 39.25340 16.38692 -15.04854      20.00551 
1 1 1 10 4  85  o 26.69583 11.74982 -0.1119275E-01 0.8397965E-01 -0.1870058     0.1175316     0.1721997      0.1200384     23.31232 11.35309 47.14769 15.72610 -23.83537      19.39595 
1 1 1 10 4  86  o 25.45261 11.29762 -0.1651018E-01 0.7925025E-01 -0.7769590E-01 0.1119309     0.4499552E-01  0.1122232     26.80344 12.47089 34.53561 14.32961 -7.732170      18.99634 
1 1 1 10 4  87  o 76.74763 13.36817 0.4627360      0.1365207     0.4880253      0.1802121     0.4286758      0.2091405     75.64153 17.58699 68.33829 20.51856 7.303230       27.02431 
1 1 1 10 4  88  o 41.70691 15.63448 0.1275535      0.1216960     0.2335316      0.1761520     0.3078600E-01  0.1683232     52.01953 18.93078 38.08007 16.70045 13.93946       25.24439 
1 1 1 10 4  89  o 88.21448 14.17537 0.6343356      0.1668206     0.4470294      0.2879983     0.7289138      0.2046488     63.52996 24.00162 92.05073 16.71637 -28.52077      29.24919 
1 1 1 10 4  90  f 80.75226 13.77615 0.5380746      0.1480989     0.6697026      0.2239154     0.4357151      0.1974577     83.24762 19.77295 65.98903 19.96523 17.25859       28.09946 
1 1 1 10 4  91  o 113.0743 11.89384 1.024595       0.1829213     1.161466       0.2451600     0.8527038      0.2747391     114.6033 15.92243 87.97397 22.52082 26.62936       27.58099 
1 1 1 10 4  92  o 85.60352 13.73059 0.6333020      0.1568140     0.8041328      0.2113738     0.4241831      0.2338648     91.38611 17.38597 57.80300 21.67243 33.58311       27.78428 
1 1 1 10 4  93  o 71.86260 14.31160 0.4737932      0.1370234     0.4895466      0.1946941     0.4583321      0.1928793     63.83225 19.92001 61.39920 19.90782 2.433056       28.16253 
1 1 1 10 4  94  o 77.00601 13.53440 0.5523053      0.1386610     0.6002033      0.1965354     0.5048330      0.1956601     69.08945 19.66101 60.97301 20.06523 8.116440       28.09215 
1 1 1 10 4  95  o 47.96117 15.79247 0.2763087      0.1211966     0.2198143      0.1658022     0.3411300      0.1776014     39.44123 16.93788 46.29085 18.45938 -6.849625      25.05275 
1 1 1 10 4  96  o 32.33876 13.63095 0.1214587      0.1039778     0.1241102      0.1439137     0.1185631      0.1503939     32.04386 14.62825 31.77105 14.66812 0.2728062      20.71568 
1 1 1 10 4  97  o 21.72580 10.35109 -0.1266301E-01 0.8574709E-01 -0.8977116E-01 0.1206233     0.6610722E-01  0.1219164     21.57371 10.69710 26.88165 12.66893 -5.307945      16.58100 
1 1 1 10 4  98  o 23.90978 11.25335 0.5771586E-01  0.9561002E-01 0.5134735E-01  0.1329323     0.6454095E-01  0.1376152     24.09436 11.80646 24.51059 12.01088 -0.4162331     16.84202 
1 1 1 10 4  99  o 23.06291 11.19441 0.1050019      0.1117358     0.1296437      0.1406554     0.6285276E-01  0.1839565     23.15463 11.49288 21.71890 11.06056 1.435738       15.95062 
1 1 1 10 4  100 f 19.98986 10.05107 0.1218807      0.1242652     0.2137960      0.1669281     0.7631127E-02  0.1861070     20.46497 10.43235 18.33629 9.443496 2.128683       14.07173 
1 1 1 10 4  101 o 16.29601 8.275349 0.5248920E-01  0.9775580E-01 -0.1252475     0.1502559     0.1829350      0.1287235     14.89669 7.708850 17.77021 9.067790 -2.873515      11.90173 
1 1 1 10 4  102 o 15.69599 8.063850 0.2254739      0.1216207     0.2910411      0.1808803     0.1713715      0.1643070     14.92696 7.745890 14.54697 7.544380 0.3799934      10.81279 
1 1 1 10 4  103 o 13.39307 6.921443 0.1723330      0.1177064     0.1204309      0.1488447     0.2589715      0.1923075     12.78430 6.641742 12.97248 6.750271 -0.1881886     9.469894 
1 1 1 10 4  104 o 11.45759 5.948961 0.1069536      0.1120713     0.1646862      0.1427015     0.1403414E-01  0.1810387     11.47002 5.966626 11.02009 5.738767 0.4499226      8.278531 
1 1 1 10 4  105 o 9.460860 4.917370 -0.2910509E-01 0.8583385E-01 0.8961091E-02  0.1210559     -0.6759110E-01 0.1217216     9.670779 5.034757 9.473743 4.932642 0.1970358      7.048385 
1 1 1 10 4  106 o 7.229276 3.762537 -0.1963655     0.6244197E-01 -0.1882832     0.8914816E-01 -0.2041495     0.8748779E-01 7.736411 4.028731 7.675944 3.997091 0.6046629E-01  5.675157 
1 1 1 10 4  107 o 7.085752 3.688556 0.6148605E-01  0.1125499     -0.1086800     0.1532113     0.2609617      0.1658820     6.949867 3.611020 7.167810 3.723848 -0.2179432     5.187149 
1 1 1 10 4  108 o ?        ?        0.2353398      0.1532044     0.2641450      0.2245034     0.2102340      0.2095918     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 4  109 o ?        ?        0.2348237      0.1547613     0.2515057E-01  0.2247796     0.4237957      0.2133950     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 4  110 o ?        ?        -0.9317727E-01 0.1179678     -0.9985806E-01 0.2178595     -0.9040583E-01 0.1403192     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 4  111 o ?        ?        0.1400766      0.1421339     0.3562153E-02  0.2084554     0.2586863      0.1943050     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 4  112 o ?        ?        0.1745244      0.1459902     0.2080869      0.2139231     0.1452678      0.1997296     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 4  113 o ?        ?        -0.1308145     0.1705033     0.000000       0.000000      -0.1308145     0.1705033     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  0   o 153.2774 26.17642 1.801684       0.5055063     0.000000       0.000000      1.801684       0.5055063     153.2774 26.17642 153.2774 26.17642 0.000000       0.000000 
1 1 1 10 5  1   f 270.2373 16.47203 5.190751       0.6117192     5.745565       0.8723885     4.654094       0.8579943     280.8440 22.68986 251.1486 25.07613 29.69539       33.81778 
1 1 1 10 5  2   o 228.8742 16.45011 3.728107       0.5164130     3.431959       0.7263485     4.030820       0.7343540     215.4781 24.86867 234.8146 22.94173 -19.33649      33.83451 
1 1 1 10 5  3   o 165.4226 16.59996 1.957088       0.3740606     2.078156       0.5288340     1.835866       0.5291694     167.7448 23.47439 156.6804 25.32298 11.06448       34.52970 
1 1 1 10 5  4   o 122.2345 13.68982 1.062545       0.2270950     1.171959       0.2784222     0.8450730      0.3925273     127.7556 16.14318 105.0618 26.93186 22.69384       31.39948 
1 1 1 10 5  5   o 214.9263 13.53681 3.258140       0.3996864     3.204951       0.4888173     3.365432       0.6942602     211.9395 16.84196 213.8105 23.92570 -1.871017      29.25903 
1 1 1 10 5  6   o 339.7052 13.46712 8.108695       0.6317058     7.882470       0.7688998     8.578504       1.108049      332.9490 16.77845 342.6301 23.56373 -9.681091      28.92690 
1 1 1 10 5  7   o 157.3278 13.44648 1.751179       0.2893080     2.021131       0.3542939     1.210959       0.5011942     168.4951 15.39804 124.9569 29.51745 43.53817       33.29233 
1 1 1 10 5  8   o 169.4371 13.41281 2.029122       0.3112448     1.742608       0.3778548     2.633805       0.5489292     155.4990 17.92613 190.0979 21.27716 -34.59889      27.82200 
1 1 1 10 5  9   o 199.5925 13.32564 2.810560       0.3651463     3.077806       0.4479521     2.281333       0.6303715     208.0602 15.70788 173.9307 27.13271 34.12943       31.35158 
1 1 1 10 5  10  o 131.8243 13.49182 1.233531       0.2421258     1.284131       0.2951869     1.129485       0.4232885     133.7032 16.32809 121.8694 25.94936 11.83379       30.65902 
1 1 1 10 5  11  o 164.5210 13.38544 1.914275       0.3014464     1.704699       0.3655887     2.359385       0.5327904     153.8763 17.51840 179.4209 21.96394 -25.54462      28.09464 
1 1 1 10 5  12  o 173.3894 13.38323 2.125234       0.3179419     2.093323       0.3866927     2.191820       0.5585895     171.0192 16.58348 171.7534 24.22599 -0.7342377     29.35831 
1 1 1 10 5  13  o 246.2396 13.45749 4.275982       0.4558400     4.175788       0.5559497     4.481524       0.7962781     241.9471 16.74387 246.8544 23.65018 -4.907303      28.97738 
1 1 1 10 5  14  o 249.0271 16.48460 4.419512       0.5636370     4.438941       0.7908807     4.399459       0.8034747     245.6380 23.60803 244.1948 24.14487 1.443268       33.76853 
1 1 1 10 5  15  o 251.0555 16.52600 4.493602       0.5696926     4.090185       0.7955818     4.918144       0.8161457     234.8245 24.91666 258.9247 23.06904 -24.10020      33.95615 
1 1 1 10 5  16  o 93.04195 24.69427 0.6587606      0.3225318     0.000000       0.000000      0.6587606      0.3225318     ?        ?        93.04195 24.69427 0.000000       24.69427 
1 1 1 10 5  17  o 299.9096 16.66221 6.412505       0.6872998     6.834219       0.9729450     5.992446       0.9710352     305.1625 23.26504 284.3784 24.98191 20.78406       34.13734 
1 1 1 10 5  18  o 179.0384 13.55567 2.269463       0.3326391     2.497398       0.5704404     2.152023       0.4094619     183.8038 22.97799 172.9437 17.38163 10.86008       28.81161 
1 1 1 10 5  19  o 158.6247 16.74309 1.808695       0.3611870     1.680821       0.5093167     1.938064       0.5122874     149.0290 25.67709 161.2278 23.71996 -12.19882      34.95639 
1 1 1 10 5  20  o 70.44167 14.90003 0.3636151      0.1404029     0.2658821      0.1701507     0.5721618      0.2485505     60.68267 18.57062 87.28191 20.89965 -26.59924      27.95824 
1 1 1 10 5  21  o 79.25273 12.67582 0.4518791      0.1340418     0.4386307      0.1863446     0.4660843      0.1929557     76.86800 17.89160 79.23431 18.04058 -2.366302      25.40810 
1 1 1 10 5  22  o 133.7445 11.80962 1.263888       0.2158569     1.293410       0.3026057     1.233305       0.3080013     133.8097 16.74424 130.3358 17.56098 3.473907       24.26433 
1 1 1 10 5  23  o 140.5452 11.82963 1.395065       0.2274405     1.405686       0.3186641     1.384036       0.3247202     139.5001 16.88721 138.2234 17.39887 1.276703       24.24662 
1 1 1 10 5  24  o 168.3199 11.75365 1.996589       0.2714634     1.999528       0.3811505     1.993564       0.3867248     166.7171 16.78513 166.3495 17.07847 0.3675537      23.94608 
1 1 1 10 5  25  o 135.3513 11.91549 1.295292       0.2204256     1.170530       0.3085275     1.425371       0.3150320     126.6482 18.16226 140.5724 16.54675 -13.92419      24.56954 
1 1 1 10 5  26  o 363.7243 11.84650 9.285928       0.5949774     9.041864       0.8356094     9.536904       0.8473640     355.8343 17.00660 365.6024 16.78506 -9.768158      23.89483 
1 1 1 10 5  27  o 203.3855 11.70385 2.911753       0.3273032     2.833698       0.4603726     2.991530       0.4654220     198.5637 16.95328 204.1928 16.65202 -5.629150      23.76348 
1 1 1 10 5  28  o 262.5890 11.70569 4.839224       0.4244353     4.820175       0.5973616     4.858646       0.6031649     259.3814 16.76838 260.3623 16.86794 -0.9808350     23.78457 
1 1 1 10 5  29  o 353.9276 10.54009 8.765203       0.5151062     8.359319       0.8091884     9.041732       0.6679128     341.4766 17.21674 357.9352 13.51380 -16.45862      21.88695 
1 1 1 10 5  30  o 157.8406 10.63652 1.751378       0.2304715     1.866609       0.3657841     1.675514       0.2967951     160.9324 16.70384 153.3059 14.18104 7.626480       21.91165 
1 1 1 10 5  31  o 69.16988 12.45681 0.3463498      0.1146009     0.3066766      0.1822727     0.3722853      0.1473737     64.59007 19.10125 71.09560 15.45312 -6.505539      24.56942 
1 1 1 10 5  32  o 231.7540 9.503640 3.749604       0.3041272     3.565562       0.4277221     3.937797       0.4325196     224.1974 13.88467 235.8907 13.33335 -11.69333      19.24999 
1 1 1 10 5  33  o 172.4043 9.558265 2.081584       0.2266531     2.014534       0.3188883     2.150039       0.3222093     168.2955 13.84514 174.0150 13.51556 -5.719498      19.34834 
1 1 1 10 5  34  o 293.8993 9.511116 6.031159       0.3859828     5.925033       0.5441794     6.138608       0.5475605     289.6075 13.60800 294.8587 13.44870 -5.251251      19.13231 
1 1 1 10 5  35  o 144.7277 9.711452 1.469680       0.1929520     1.300429       0.2713687     1.642742       0.2744075     134.6381 14.84336 152.0548 13.20046 -17.41669      19.86397 
1 1 1 10 5  36  o 176.4919 9.552772 2.181651       0.2319383     2.349572       0.3289332     2.015603       0.3270952     182.0348 13.17532 168.1623 14.21992 13.87253       19.38544 
1 1 1 10 5  37  o 276.4292 10.44041 5.349339       0.3985102     5.477063       0.5151949     5.159088       0.6287835     278.4717 13.39839 267.9095 17.08618 10.56223       21.71300 
1 1 1 10 5  38  o 240.7076 10.45099 4.056803       0.3473644     3.872555       0.4459734     4.340986       0.5538690     233.5531 13.89149 246.0154 16.39843 -12.46233      21.49144 
1 1 1 10 5  39  o 107.5805 11.26124 0.8206519      0.1648063     0.8611769      0.2095743     0.7549782      0.2667912     109.4116 14.20724 100.4493 19.93824 8.962296       24.48222 
1 1 1 10 5  40  o 121.3525 9.983535 1.036740       0.1658066     0.9832194      0.2336822     1.091003       0.2352981     116.8091 14.82161 123.3759 14.06309 -6.566719      20.43161 
1 1 1 10 5  41  o 181.5253 9.644607 2.309350       0.2408788     2.349800       0.3405868     2.268868       0.3407214     181.7673 13.66992 178.4924 13.93470 3.274902       19.52031 
1 1 1 10 5  42  o 85.97153 10.92581 0.5263133      0.1267724     0.5153656      0.1786451     0.5374187      0.1799283     83.68897 16.04298 85.57082 15.81015 -1.881844      22.52416 
1 1 1 10 5  43  o 93.55537 10.69203 0.6211724      0.1356426     0.5964805      0.1918181     0.6458692      0.1918371     90.19549 15.98692 94.15949 15.27834 -3.964005      22.11356 
1 1 1 10 5  44  o 236.5043 10.69260 3.921678       0.3491887     2.970264       0.5437733     4.589326       0.4555199     201.3066 19.81941 254.6098 13.00002 -53.30319      23.70252 
1 1 1 10 5  45  o 238.6252 11.77082 4.005792       0.3878475     3.508739       0.5506064     4.495307       0.5464159     219.8005 18.30806 250.4344 15.88346 -30.63388      24.23777 
1 1 1 10 5  46  o 292.8797 10.56399 6.013199       0.4272238     5.841184       0.5536706     6.266329       0.6716480     287.0398 13.96920 295.3515 16.53534 -8.311707      21.64615 
1 1 1 10 5  47  o 223.5011 9.705583 3.493815       0.2995292     3.504513       0.4242484     3.483183       0.4229511     221.9404 13.91385 221.2616 13.91437 0.6788025      19.67753 
1 1 1 10 5  48  o 89.62824 11.25676 0.5727817      0.1362413     0.7122965      0.1942659     0.4377472      0.1911211     99.13355 14.63164 76.39815 18.34774 22.73540       23.46752 
1 1 1 10 5  49  o 202.7457 10.77090 2.892288       0.3004561     3.026799       0.3881826     2.691288       0.4745216     206.2375 13.70917 192.3063 18.08235 13.93120       22.69168 
1 1 1 10 5  50  o 106.9467 11.84000 0.8147906      0.1719130     0.9840419      0.2211441     0.5562943      0.2732980     116.9957 13.96483 85.11356 22.79696 31.88213       26.73421 
1 1 1 10 5  51  o 183.0530 12.05509 2.372426       0.3030038     2.382256       0.4218227     2.361947       0.4355299     181.2191 17.05804 180.0886 17.74492 1.130432       24.61420 
1 1 1 10 5  52  o 134.3953 11.19955 1.278844       0.2059446     1.384271       0.3197037     1.204067       0.2692510     137.6440 17.19622 128.9512 15.42778 8.692825       23.10252 
1 1 1 10 5  53  o 254.7020 10.62721 4.557447       0.3737570     4.758585       0.5863822     4.419814       0.4850603     256.6067 16.63883 248.7966 14.17801 7.810135       21.86016 
1 1 1 10 5  54  o 111.2782 10.99997 0.8794555      0.1668075     0.8431532      0.2369080     0.9151474      0.2349076     107.0965 16.55402 112.0167 15.61151 -4.920212      22.75423 
1 1 1 10 5  55  o 109.1437 11.34034 0.8484822      0.1684129     0.8911759      0.2390668     0.8064219      0.2372869     110.2150 16.19137 104.4181 17.04557 5.796898       23.50983 
1 1 1 10 5  56  f 75.60843 15.12887 0.4235784      0.1524340     0.6384208      0.2533071     0.3016065      0.1908610     91.23415 20.59533 63.68491 19.69822 27.54923       28.49890 
1 1 1 10 5  57  o 91.53871 13.81595 0.6106589      0.1691966     0.5920125      0.2771455     0.6217376      0.2136270     86.93076 22.80456 90.99097 17.63956 -4.060219      28.83057 
1 1 1 10 5  58  o 163.4621 10.27961 1.890118       0.2308417     1.912736       0.3266918     1.867564       0.3262275     162.4300 14.72588 160.3979 14.89961 2.032089       20.94874 
1 1 1 10 5  59  o 127.5026 10.89934 1.158463       0.1900481     1.152578       0.2694885     1.164285       0.2680543     125.0115 15.97726 125.7458 15.78593 -0.7343369     22.46037 
1 1 1 10 5  60  o 114.3016 11.14599 0.9354928      0.1736790     1.050664       0.2482558     0.8250872      0.2430649     119.3466 15.42537 104.6383 17.43620 14.70827       23.28011 
1 1 1 10 5  61  o 54.98943 14.90693 0.2274838      0.1160278     0.2225235      0.1683317     0.2319737      0.1601501     55.40712 18.62256 56.02455 18.13770 -0.6174316     25.99569 
1 1 1 10 5  62  o 157.0365 11.80502 1.773747       0.2541064     1.968754       0.3282730     1.482228       0.4013687     163.7465 14.67429 137.0142 21.95630 26.73230       26.40860 
1 1 1 10 5  63  o 89.45266 16.09033 0.6071387      0.1914375     0.7068310      0.2592200     0.4875329      0.2839315     94.28207 20.49607 76.97773 24.06129 17.30434       31.60751 
1 1 1 10 5  64  f 70.86005 15.68668 0.3851137      0.1494318     0.3013468      0.2310028     0.4453895      0.1959533     62.74779 21.79615 74.94112 18.93041 -12.19333      28.86923 
1 1 1 10 5  65  o 123.3267 12.42373 1.112345       0.2086854     1.419546       0.3295315     0.9066526      0.2696459     135.5423 18.05611 107.4385 18.86410 28.10376       26.11278 
1 1 1 10 5  66  o 50.90734 13.68684 0.1972319      0.9829075E-01 0.2364519      0.1547405     0.1707044      0.1272619     55.43601 17.81640 48.26046 16.19233 7.175549       24.07521 
1 1 1 10 5  67  o 80.67107 12.44124 0.4840600      0.1341298     0.5018438      0.2069073     0.4711695      0.1761578     78.65412 19.21527 77.35997 16.95866 1.294151       25.62856 
1 1 1 10 5  68  o 178.4450 10.10980 2.292066       0.2480827     2.531558       0.3545217     2.062265       0.3472743     184.1451 14.04864 164.8477 15.43612 19.29741       20.87194 
1 1 1 10 5  69  o 74.94707 11.73921 0.4173085      0.1174988     0.5981852      0.1761427     0.2722948      0.1577169     88.26847 14.98779 58.46354 17.87717 29.80493       23.32867 
1 1 1 10 5  70  o 181.0874 8.948938 2.339471       0.2237679     2.361393       0.3197521     2.318431       0.3132590     178.3277 13.07661 176.8391 12.91822 1.488647       18.38147 
1 1 1 10 5  71  o 87.45058 10.57446 0.5599406      0.1250968     0.5460355      0.1799829     0.5729359      0.1739960     83.32156 16.22713 86.01653 15.20558 -2.694977      22.23801 
1 1 1 10 5  72  o 69.83552 12.14459 0.3666596      0.1128588     0.3627830      0.1624067     0.3702798      0.1569462     66.95853 17.40484 67.93517 16.82002 -0.9766388     24.20416 
1 1 1 10 5  73  o 119.6788 10.29353 1.041821       0.1684507     1.051589       0.2592359     1.034683       0.2216141     115.7092 16.70930 116.8172 14.01893 -1.108040      21.81126 
1 1 1 10 5  74  o 75.90925 13.74567 0.4414537      0.1387737     0.5460005      0.1999177     0.3442310      0.1927878     81.87353 18.15913 64.23454 19.78571 17.63899       26.85569 
1 1 1 10 5  75  o 127.9578 11.89145 1.210294       0.2077031     1.559126       0.3247120     0.9687300      0.2702132     140.7471 17.05614 109.4501 18.54134 31.29700       25.19312 
1 1 1 10 5  76  f 89.44102 12.16144 0.5971121      0.1463019     0.5927123      0.2430133     0.5996133      0.1832274     83.26466 21.10787 87.54085 15.73650 -4.276184      26.32831 
1 1 1 10 5  77  o 45.45124 13.91838 0.1572496      0.9556034E-01 0.1256172      0.1434347     0.1824958      0.1281404     44.31760 16.89147 48.92667 16.24475 -4.609077      23.43531 
1 1 1 10 5  78  o 160.0314 10.61878 1.864167       0.2333158     2.111860       0.4017230     1.738089       0.2866094     162.6926 18.19371 151.8398 13.82125 10.85280       22.84815 
1 1 1 10 5  79  o 64.85396 14.70243 0.3293895      0.1286258     0.6088106      0.2157967     0.1754136      0.1601922     86.10280 18.68705 49.23934 18.03242 36.86346       25.96872 
1 1 1 10 5  80  o 143.9725 12.33946 1.542505       0.2429386     1.995605       0.3753572     1.215886       0.3186901     158.4671 17.44291 121.3123 19.70094 37.15484       26.31316 
1 1 1 10 5  81  o 115.0572 11.97449 0.9870212      0.1874557     1.110080       0.2592184     0.8521189      0.2714063     118.6028 16.25600 100.2989 20.29366 18.30387       26.00173 
1 1 1 10 5  82  o 117.2610 10.53137 1.011848       0.1687022     1.169414       0.2586485     0.8951834      0.2225599     121.7469 15.75514 106.4983 15.59667 15.24863       22.16936 
1 1 1 10 5  83  o 78.20744 12.33045 0.4674540      0.1287462     0.4437341      0.1965098     0.4852926      0.1704150     71.33191 19.42610 76.91644 16.53707 -5.584526      25.51172 
1 1 1 10 5  84  o 39.54467 14.39469 0.1113841      0.1018582     -0.9358004E-01 0.1447247     0.3125658      0.1433831     30.15863 14.08152 60.94719 16.59188 -30.78855      21.76188 
1 1 1 10 5  85  o 33.20573 13.44893 0.5424516E-01  0.9585837E-01 -0.5084807E-01 0.1734748     0.1004397      0.1150124     34.69928 15.92246 38.93336 15.05265 -4.234081      21.91135 
1 1 1 10 5  86  o 63.55792 15.54461 0.3436498      0.1352928     0.5142807      0.2449672     0.2687603      0.1622892     70.69923 22.38470 54.51612 18.28545 16.18311       28.90384 
1 1 1 10 5  87  o 82.19050 12.86370 0.5442816      0.1412030     0.7472668      0.2174614     0.3963107      0.1856685     90.79046 17.98220 63.72463 19.37794 27.06583       26.43603 
1 1 1 10 5  88  o 80.36218 14.52381 0.5513979      0.1552331     0.7086922      0.2249323     0.4083502      0.2145042     84.76962 19.60681 61.10123 21.01587 23.66839       28.74185 
1 1 1 10 5  89  o 89.24257 13.95028 0.6855306      0.1662790     0.8610288      0.2410293     0.5261587      0.2296885     91.76558 19.61637 66.49413 21.73330 25.27145       29.27693 
1 1 1 10 5  90  o 39.30236 14.81526 0.1401053      0.1095749     0.9607226E-01  0.1736718     0.1692257      0.1412340     37.78149 16.74941 41.76405 16.52196 -3.982555      23.52696 
1 1 1 10 5  91  o 98.74019 12.54817 0.8628322      0.1672213     1.002328       0.2594283     0.7636784      0.2187214     89.22625 21.34341 79.85853 19.90543 9.367722       29.18505 
1 1 1 10 5  92  f 35.14927 14.05186 0.1245568      0.1031744     0.1680756      0.1625917     0.9522026E-01  0.1334946     37.56473 16.44555 33.31852 14.73199 4.246208       22.07912 
1 1 1 10 5  93  o 55.39944 16.00581 0.3812574      0.1293175     0.5203159      0.2010227     0.2830825      0.1689065     51.88719 19.94440 40.75642 17.28649 11.13077       26.39322 
1 1 1 10 5  94  o 27.48522 12.28857 0.6929611E-01  0.9554153E-01 0.2135539      0.1500775     -0.2900947E-01 0.1238897     34.66077 15.45596 24.18346 11.74963 10.47732       19.41496 
1 1 1 10 5  95  o 25.36051 11.71082 0.6447056E-01  0.9593446E-01 0.1385431      0.1491976     0.1225747E-01  0.1252630     28.24713 13.51204 23.90825 11.66022 4.338879       17.84758 
1 1 1 10 5  96  o 26.60696 12.62427 0.1684531      0.1249379     0.1010137      0.1934658     0.2166984      0.1636347     23.68735 11.98657 26.38904 12.96481 -2.701691      17.65685 
1 1 1 10 5  97  o 21.04220 10.30269 0.8039317E-01  0.1006326     0.1214321      0.1766231     0.6066736E-01  0.1224522     21.02742 10.72012 20.35307 10.19775 0.6743469      14.79578 
1 1 1 10 5  98  o 17.79247 8.937694 0.6304850E-01  0.9708139E-01 0.5780164E-01  0.1687868     0.6564239E-01  0.1186767     17.45818 8.991363 17.68482 8.994261 -0.2266388     12.71776 
1 1 1 10 5  99  o 13.56776 6.950285 -0.4966183E-01 0.8268838E-01 -0.1111420E-01 0.1324824     -0.7426130E-01 0.1058333     14.65420 7.565032 13.80597 7.110868 0.8482323      10.38240 
1 1 1 10 5  100 o 13.89412 7.143189 0.9645364E-01  0.9965717E-01 0.4085827E-01  0.1536820     0.1367959      0.1309133     13.21660 6.864213 13.83366 7.161198 -0.6170607     9.919686 
1 1 1 10 5  101 o 12.50011 6.472540 0.1343048      0.1087816     0.2275306      0.1448496     0.1371177E-01  0.1647443     12.53136 6.511273 11.74980 6.115216 0.7815580      8.932667 
1 1 1 10 5  102 o 11.02180 5.718475 0.1140574      0.9732476E-01 0.9242941E-01  0.1406708     0.1339158      0.1347933     10.67043 5.553869 10.81104 5.625830 -0.1406116     7.905405 
1 1 1 10 5  103 o 9.316394 4.844037 0.5348015E-01  0.8764555E-01 0.6047250E-01  0.1291674     0.4751363E-01  0.1193169     9.233996 4.808752 9.219104 4.800333 0.1489258E-01  6.794652 
1 1 1 10 5  104 o 7.880234 4.103580 0.3878972E-01  0.9240868E-01 0.1517258E-01  0.1281257     0.6439333E-01  0.1334053     7.817047 4.069638 7.874959 4.099831 -0.5791187E-01 5.776727 
1 1 1 10 5  105 o 6.619621 3.446483 -0.7235959E-02 0.9231047E-01 0.8383971E-01  0.1409056     -0.7571425E-01 0.1221810     6.694540 3.478504 6.573039 3.417857 0.1215010      4.876652 
1 1 1 10 5  106 o ?        ?        0.7762346E-01  0.1144879     0.1266034      0.1874518     0.4848221E-01  0.1445889     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  107 o ?        ?        0.8524133E-02  0.1134555     0.6650188E-01  0.1749064     -0.3359180E-01 0.1490727     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  108 o ?        ?        -0.9891795E-01 0.8984736E-01 -0.2560151     0.1411636     0.8059237E-02  0.1164888     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  109 o ?        ?        -0.9090442E-02 0.1064893     -0.2266175E-01 0.1656335     0.4717152E-03  0.1390322     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  110 o ?        ?        -0.1167355     0.8536328E-01 -0.9356505E-01 0.1401655     -0.1303964     0.1076247     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 5  111 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 6  0   o 113.4714 29.54810 1.084693       0.4000638     0.000000       0.000000      1.084693       0.4000638     113.4714 29.54810 113.4714 29.54810 0.000000       0.000000 
1 1 1 10 6  1   o 206.0310 16.68732 3.043501       0.4706638     2.331906       0.6585513     3.786486       0.6729196     174.1741 28.35791 227.1617 21.71776 -52.98752      35.71879 
1 1 1 10 6  2   o 262.8082 24.08609 5.124269       0.8643399     5.124269       0.8643399     0.000000       0.000000      262.8082 24.08609 ?        ?        0.000000       24.08609 
1 1 1 10 6  3   o 179.7962 24.23327 2.417711       0.5863062     2.417711       0.5863062     0.000000       0.000000      179.7962 24.23327 ?        ?        0.000000       24.23327 
1 1 1 10 6  4   o 125.0858 17.14631 1.135695       0.2883593     1.135695       0.2883593     0.000000       0.000000      125.0858 17.14631 ?        ?        0.000000       17.14631 
1 1 1 10 6  5   o 216.9058 16.54090 3.369720       0.4916791     3.369720       0.4916791     0.000000       0.000000      216.9058 16.54090 ?        ?        0.000000       16.54090 
1 1 1 10 6  6   o 287.1535 13.44445 5.813725       0.5330836     5.813725       0.5330836     0.000000       0.000000      287.1535 13.44445 ?        ?        0.000000       13.44445 
1 1 1 10 6  7   o 163.9250 13.53098 1.907189       0.3035382     1.907189       0.3035382     0.000000       0.000000      163.9250 13.53098 ?        ?        0.000000       13.53098 
1 1 1 10 6  8   o 96.02100 17.63589 0.6784791      0.2252138     0.6784791      0.2252138     0.000000       0.000000      96.02100 17.63589 ?        ?        0.000000       17.63589 
1 1 1 10 6  9   o 175.6692 13.61174 2.189471       0.3275996     2.241745       0.3999361     2.082869       0.5711206     176.6338 16.59201 165.7895 25.78583 10.84431       30.66274 
1 1 1 10 6  10  o 359.1482 13.59965 9.101137       0.6744341     9.304227       0.8252802     8.692796       1.170226      361.2745 16.54345 341.6850 24.97614 19.58948       29.95820 
1 1 1 10 6  11  o 411.0914 11.87949 11.86366       0.6743324     11.64965       0.7747771     12.53224       1.369420      406.1869 13.81379 411.3685 24.21517 -5.181610      27.87822 
1 1 1 10 6  12  o 173.9604 13.54966 2.147172       0.3229071     2.416954       0.3953424     1.606491       0.5596777     183.7908 15.72954 143.3506 29.26495 40.44022       33.22432 
1 1 1 10 6  13  o 151.0940 13.58419 1.623105       0.2803833     1.734642       0.3421201     1.394947       0.4893144     155.3235 16.18949 134.3042 27.31526 21.01930       31.75252 
1 1 1 10 6  14  o 211.8600 13.48881 3.178688       0.3925498     3.142260       0.4792067     3.252995       0.6844134     209.2400 16.72575 208.7355 24.19427 0.5044403      29.41281 
1 1 1 10 6  15  o 275.1650 13.41461 5.341376       0.5096935     5.333804       0.6223595     5.356796       0.8882200     272.9855 16.58927 268.3111 24.23581 4.674377       29.36969 
1 1 1 10 6  16  o 220.4659 13.43483 3.441092       0.4070372     3.465834       0.4964418     3.390342       0.7109901     219.9050 16.46874 212.7858 24.65501 7.119278       29.64943 
1 1 1 10 6  17  o 107.6822 14.06961 0.8326016      0.2041996     0.9661521      0.2477006     0.5493237      0.3607535     115.5360 15.95192 85.36765 27.17899 30.16835       31.51446 
1 1 1 10 6  18  o 250.1167 13.47393 4.426730       0.4636286     4.507785       0.5653965     4.260354       0.8100368     250.9461 16.40711 238.4974 24.96709 12.44865       29.87556 
1 1 1 10 6  19  o 254.1244 11.63221 4.532641       0.4081753     4.343792       0.5705590     4.730612       0.5841758     246.0386 16.89661 256.9987 16.54969 -10.96014      23.65138 
1 1 1 10 6  20  o 166.9935 11.84051 1.967831       0.2712584     2.244400       0.3819571     1.686400       0.3852994     176.9650 15.79717 152.0405 18.75000 24.92448       24.51760 
1 1 1 10 6  21  o 97.17742 12.44355 0.6745816      0.1631384     0.6271115      0.2259081     0.7263162      0.2358372     91.91768 18.44036 99.28164 17.85973 -7.363960      25.67132 
1 1 1 10 6  22  o 109.4390 12.22456 0.8520293      0.1815761     0.9903460      0.2538868     0.7072060      0.2597898     116.8963 16.16129 97.23244 20.01668 19.66390       25.72654 
1 1 1 10 6  23  o 303.6072 11.67083 6.472121       0.4892735     6.931457       0.6963032     6.024128       0.6876522     311.3847 16.25068 289.5899 17.27545 21.79477       23.71762 
1 1 1 10 6  24  o 315.9628 11.71834 7.011168       0.5112577     6.878590       0.7197515     7.146188       0.7263488     309.7404 16.89235 315.8459 16.71399 -6.105499      23.76361 
1 1 1 10 6  25  o 146.0915 11.91621 1.509229       0.2382875     1.446772       0.3342313     1.573791       0.3398170     141.1035 17.53213 147.4557 17.00101 -6.352203      24.42151 
1 1 1 10 6  26  o 280.1436 11.70301 5.512290       0.4527062     5.945778       0.6423334     5.084451       0.6381337     288.3014 16.20092 265.7719 17.48624 22.52942       23.83775 
1 1 1 10 6  27  o 367.7618 11.87155 9.505101       0.6028541     9.119710       0.8454961     9.903656       0.8598130     356.8228 17.16014 372.1753 16.73087 -15.35242      23.96649 
1 1 1 10 6  28  o 203.6161 11.88068 2.923513       0.3325843     3.137540       0.4700067     2.708869       0.4706844     209.0208 16.41665 193.4644 17.81970 15.55640       24.22908 
1 1 1 10 6  29  o 128.7902 12.22791 1.177098       0.2148490     1.167713       0.3011649     1.186825       0.3065925     126.4337 17.73872 127.4110 17.92219 -0.9773178     25.21641 
1 1 1 10 6  30  o 204.2749 11.80625 2.942351       0.3315961     2.945639       0.4664172     2.938992       0.4715199     202.2319 16.85626 201.8943 17.07372 0.3376160      23.99262 
1 1 1 10 6  31  o 247.5875 11.76799 4.308907       0.4023175     4.293383       0.5657307     4.324791       0.5722511     244.3435 16.87095 245.1595 17.00963 -0.8160400     23.95739 
1 1 1 10 6  32  o 130.7835 12.26571 1.214183       0.2189173     1.068721       0.3059753     1.366740       0.3133480     120.3129 19.05243 137.2301 16.89305 -16.91716      25.46311 
1 1 1 10 6  33  o 52.25248 14.34088 0.1998033      0.1066084     0.2605603      0.1505229     0.1386507      0.1510122     59.57073 17.28494 48.00891 17.51929 11.56182       24.61086 
1 1 1 10 6  34  f 52.16088 14.19716 0.1992188      0.1049929     0.2880287      0.1469005     0.1064776      0.1501166     62.35364 16.71899 45.23790 17.27134 17.11574       24.03797 
1 1 1 10 6  35  o 201.1019 10.57772 2.841550       0.2926963     2.825092       0.4633375     2.852478       0.3775739     197.7702 17.13610 200.3068 13.73406 -2.536530      21.96066 
1 1 1 10 6  36  o 81.91328 12.29701 0.4824686      0.1347936     0.7200441      0.2190606     0.3377053      0.1709986     99.10529 16.59441 67.30010 18.03530 31.80519       24.50809 
1 1 1 10 6  37  o 75.61089 10.93496 0.4089624      0.1108507     0.3744794      0.1564652     0.4437125      0.1570698     71.03841 16.29720 77.72540 15.17950 -6.686981      22.27142 
1 1 1 10 6  38  o 198.3921 10.60093 2.766585       0.2893552     2.665155       0.4561937     2.834859       0.3742782     191.8555 17.40973 199.6759 13.65669 -7.820358      22.12700 
1 1 1 10 6  39  o 178.9901 11.81614 2.263502       0.2903972     2.433826       0.4170084     2.103134       0.4046381     183.6365 16.62581 170.2283 17.46183 13.40819       24.11085 
1 1 1 10 6  40  o 157.9262 11.89053 1.764853       0.2573920     1.640586       0.2992711     2.118001       0.5045040     151.3369 14.49874 168.3394 22.24925 -17.00249      26.55641 
1 1 1 10 6  41  o 72.64912 13.89455 0.3857657      0.1343046     0.4067609      0.1594975     0.3346013      0.2489878     74.10695 16.05120 68.20732 22.64421 5.899628       27.75611 
1 1 1 10 6  42  o 115.7545 12.49531 0.9555572      0.1965531     1.016265       0.2691289     0.8861632      0.2877396     117.8867 17.02669 108.8665 19.87344 9.020203       26.16986 
1 1 1 10 6  43  o 92.20666 13.21235 0.6127574      0.1634129     0.8379577      0.2230361     0.3517615      0.2401086     107.3629 15.49304 69.22987 22.18740 38.13299       27.06132 
1 1 1 10 6  44  o 165.5723 10.69204 1.931593       0.2431418     2.117408       0.3791959     1.801856       0.3168505     171.2110 16.23364 158.4973 14.64306 12.71368       21.86207 
1 1 1 10 6  45  o 61.91457 13.24302 0.2813028      0.1097930     0.2235771      0.1652012     0.3269716      0.1469397     56.26223 18.43365 66.27480 16.19427 -10.01257      24.53679 
1 1 1 10 6  46  o 252.2166 9.624846 4.453382       0.3352011     4.614281       0.4754378     4.294354       0.4726663     254.6735 13.56878 245.4252 14.00560 9.248337       19.50047 
1 1 1 10 6  47  o 170.0906 9.839076 2.033825       0.2300985     2.156446       0.3272524     1.913929       0.3235953     173.7074 13.75603 163.2774 14.50387 10.43002       19.98976 
1 1 1 10 6  48  o 122.6282 10.25414 1.062595       0.1720376     0.9842117      0.2443553     1.139636       0.2422541     116.2420 15.61892 125.7514 14.20022 -9.509369      21.10917 
1 1 1 10 6  49  o 94.29539 10.78876 0.6333175      0.1379471     0.5963637      0.1955405     0.6699302      0.1946359     89.73712 16.38446 95.63695 15.25098 -5.899826      22.38399 
1 1 1 10 6  50  o 96.51413 11.99243 0.6683062      0.1563767     0.6005564      0.2073865     0.7575913      0.2380763     89.62939 17.38415 100.7916 17.75481 -11.16226      24.84838 
1 1 1 10 6  51  o 138.8827 12.63629 1.380121       0.2396784     1.581803       0.3553777     1.211840       0.3246197     146.2766 17.97260 127.2743 19.05756 19.00238       26.19551 
1 1 1 10 6  52  o 146.5242 12.60865 1.537334       0.2526187     1.787276       0.3757507     1.331183       0.3412498     155.4247 17.83089 133.2407 19.09386 22.18398       26.12501 
1 1 1 10 6  53  o 83.63972 12.22110 0.5069961      0.1369785     0.4578814      0.1832869     0.5691324      0.2061573     77.67392 17.50788 86.67936 17.81979 -9.005440      24.98141 
1 1 1 10 6  54  o 158.4502 10.18427 1.779079       0.2216431     1.710180       0.3139515     1.847541       0.3129522     153.0501 15.05025 159.5014 14.36346 -6.451370      20.80430 
1 1 1 10 6  55  o 216.8107 9.943511 3.319706       0.2976860     3.479485       0.4227535     3.162563       0.4192516     219.1563 14.04387 208.4645 14.65804 10.69173       20.29996 
1 1 1 10 6  56  o 223.7991 9.969870 3.542578       0.3080959     3.492644       0.4357490     3.592496       0.4356777     218.9217 14.49688 222.2167 14.27429 -3.294998      20.34489 
1 1 1 10 6  57  o 104.2090 13.08555 0.7939807      0.1841413     0.8908826      0.2318456     0.6284049      0.3030618     109.1334 15.84859 87.24851 24.27087 21.88488       28.98711 
1 1 1 10 6  58  o 219.6345 11.15152 3.455630       0.3370895     3.767043       0.4331946     2.977626       0.5366977     227.1158 13.87993 196.0741 20.10757 31.04166       24.43291 
1 1 1 10 6  59  o 116.8005 11.28330 0.9861360      0.1797119     1.169610       0.2562754     0.8086222      0.2520785     125.1687 15.13512 101.8566 18.60863 23.31203       23.98652 
1 1 1 10 6  60  o 58.62825 14.84066 0.2634809      0.1202536     0.3299400      0.1750689     0.2041129      0.1654657     64.58650 18.61248 52.97684 18.44443 11.60966       26.20346 
1 1 1 10 6  61  o 130.2747 11.91603 1.237544       0.2119787     1.600814       0.3329262     0.9898608      0.2749042     144.5572 17.00403 112.4465 18.33713 32.11069       25.00775 
1 1 1 10 6  62  f 150.4234 13.25023 1.672224       0.2724079     1.466667       0.5153162     1.751942       0.3209115     124.6769 30.24276 152.2090 15.48450 -27.53206      33.97638 
1 1 1 10 6  63  o 186.8630 14.42204 2.613343       0.3692454     3.172342       0.6405835     2.335191       0.4518680     192.7122 24.63681 171.3547 19.44166 21.35747       31.38392 
1 1 1 10 6  64  o 52.52621 16.40924 0.2133992      0.1320750     0.1334541      0.1877262     0.2917563      0.1858523     48.03252 19.03350 60.29917 19.54084 -12.26664      27.27853 
1 1 1 10 6  65  o 46.46179 15.56644 0.1598658      0.1176122     0.1427639      0.1657216     0.1772207      0.1669426     47.26955 18.12309 50.05326 18.39662 -2.783703      25.82406 
1 1 1 10 6  66  o 143.3013 11.82720 1.509298       0.2319380     1.171764       0.3533118     1.764918       0.3074658     117.2663 22.63948 152.5165 14.78533 -35.25016      27.03982 
1 1 1 10 6  67  o 45.28346 15.54224 0.1499299      0.1172885     0.6602429E-01  0.1721873     0.2225618      0.1602025     42.26718 17.66124 53.56438 18.16652 -11.29720      25.33657 
1 1 1 10 6  68  o 112.0089 11.90648 0.9281582      0.1813273     0.8608993      0.2529428     0.9992647      0.2600772     103.3281 18.40288 112.3516 17.32099 -9.023430      25.27217 
1 1 1 10 6  69  o 75.14403 16.71370 0.4512037      0.1689416     0.5759239      0.2282700     0.3001521      0.2512135     82.78149 20.15800 61.00397 22.54243 21.77751       30.24081 
1 1 1 10 6  70  o 147.9821 13.48392 1.644779       0.2725026     1.637377       0.3763684     1.652933       0.3950648     141.4222 19.81755 140.8659 20.94838 0.5562592      28.83695 
1 1 1 10 6  71  o 102.3910 13.08176 0.7885577      0.1807275     0.7879355      0.2760442     0.7890247      0.2390940     96.21753 21.33644 98.87301 18.18271 -2.655479      28.03310 
1 1 1 10 6  72  o 84.87164 14.48087 0.5544596      0.1636157     0.5989449      0.2512276     0.5216940      0.2156099     83.32706 21.64117 78.91043 19.81564 4.416634       29.34280 
1 1 1 10 6  73  o 79.77661 15.13877 0.4954790      0.1606642     0.5072172      0.2449328     0.4866141      0.2128559     76.36116 22.01800 76.06370 20.00047 0.2974625      29.74578 
1 1 1 10 6  74  o 54.10980 16.33807 0.2315527      0.1323270     0.2062266      0.1997036     0.2513762      0.1766815     53.21376 20.01233 56.21209 19.07792 -2.998333      27.64888 
1 1 1 10 6  75  o 79.67068 17.18868 0.5106736      0.1835427     0.9467072      0.3743450     0.3726785      0.2105930     100.1049 26.62066 66.26328 20.72373 33.84159       33.73622 
1 1 1 10 6  76  o 48.03260 17.42804 0.1675434      0.1491360     0.6717593      0.3097602     0.1539907E-01  0.1701552     85.11858 24.82411 38.89218 16.93016 46.22641       30.04774 
1 1 1 10 6  77  o 71.62388 15.89678 0.4098193      0.1531149     0.5256273      0.2382608     0.3283460      0.1998440     77.34679 21.52153 62.26830 20.26835 15.07850       29.56319 
1 1 1 10 6  78  o 102.8647 11.72780 0.7906467      0.1636013     1.076280       0.2250981     0.4708194      0.2381910     118.3373 14.05017 72.41170 21.93243 45.92560       26.04686 
1 1 1 10 6  79  o 37.78612 14.35000 0.9015972E-01  0.1032849     0.4601528E-02  0.1365985     0.2043723      0.1578237     34.46835 15.08230 50.81723 17.98873 -16.34888      23.47488 
1 1 1 10 6  80  o 30.70733 12.74140 0.3207342E-01  0.8872766E-01 0.2159864      0.1252282     -0.1533254     0.1257330     51.37940 15.96637 25.46871 12.24108 25.91069       20.11887 
1 1 1 10 6  81  f 49.83418 16.05550 0.2058763      0.1256055     0.1468179      0.2097479     0.2388966      0.1568366     47.33920 19.61195 52.84473 17.97441 -5.505531      26.60278 
1 1 1 10 6  82  o 82.34031 14.00471 0.5470531      0.1535285     0.5835983      0.2292021     0.5173110      0.2067706     78.19446 20.84728 74.60076 19.75901 3.593697       28.72329 
1 1 1 10 6  83  o 26.38432 11.82602 -0.1755318E-01 0.8907802E-01 -0.4786908E-01 0.1584581     -0.3546406E-02 0.1077081     32.79832 15.11194 29.72577 13.18368 3.072554       20.05443 
1 1 1 10 6  84  o 106.7039 11.21217 0.8884917      0.1627287     1.185618       0.2501149     0.6703992      0.2142838     117.1069 15.87681 84.10561 18.91054 33.00127       24.69173 
1 1 1 10 6  85  o 73.87708 14.29818 0.4704508      0.1405851     0.4218379      0.2051933     0.5134584      0.1930012     61.91150 20.55665 71.16589 19.19823 -9.254395      28.12735 
1 1 1 10 6  86  o 126.4721 11.94355 1.317564       0.2061076     1.389612       0.2973590     1.250944       0.2859368     116.7856 19.10013 109.9311 19.55358 6.854515       27.33418 
1 1 1 10 6  87  o 63.24735 15.84579 0.3949498      0.1380996     0.5488525      0.2385100     0.3173320      0.1693808     62.10062 22.09996 51.81269 18.60415 10.28793       28.88811 
1 1 1 10 6  88  o 78.20554 15.06373 0.6043259      0.1567693     0.8276319      0.2710811     0.4921138      0.1921626     70.88397 23.63203 60.43360 19.88495 10.45037       30.88502 
1 1 1 10 6  89  o 91.78212 14.27648 0.8537751      0.1750521     1.176604       0.3010283     0.6888305      0.2151743     78.13335 24.82230 66.34579 20.97650 11.78755       32.49862 
1 1 1 10 6  90  o 29.76641 13.04235 0.8335523E-01  0.1024501     -0.2045873E-01 0.1774162     0.1352908      0.1254868     27.95241 13.68472 33.13058 14.47745 -5.178177      19.92155 
1 1 1 10 6  91  o 47.23585 16.60547 0.3731535      0.1342703     0.6317158      0.2294933     0.2385786      0.1655654     44.25545 19.45226 33.86180 15.54446 10.39365       24.90022 
1 1 1 10 6  92  o 15.91947 7.959055 -0.1121991     0.7274731E-01 -0.1897920     0.1101062     -0.5208752E-01 0.9691253E-01 17.71460 8.972864 20.02679 9.866022 -2.312189      13.33607 
1 1 1 10 6  93  o 24.07017 11.58864 0.1080415      0.1138376     0.6174280E-01  0.1731418     0.1432951      0.1510844     22.59042 11.42056 24.30482 12.03702 -1.714399      16.59274 
1 1 1 10 6  94  f 22.10566 10.71500 0.1266092      0.1014339     0.2401928      0.1757991     0.6992422E-01  0.1241917     21.97403 11.15239 20.05680 10.07972 1.917227       15.03252 
1 1 1 10 6  95  o 17.03013 8.577670 0.3971993E-01  0.9262733E-01 -0.7442182E-02 0.1612556     0.6294384E-01  0.1131581     16.69316 8.606294 17.41439 8.849332 -0.7212296     12.34419 
1 1 1 10 6  96  o 15.18578 7.757302 0.5452020E-01  0.9645329E-01 0.3842078      0.2047467     -0.3951269E-01 0.1093467     16.21147 8.408053 14.09195 7.256639 2.119517       11.10649 
1 1 1 10 6  97  o 14.35493 7.404329 0.2032385      0.1218545     0.5745144      0.2642166     0.1029345      0.1373317     13.88764 7.230761 13.45751 6.977493 0.4301319      10.04835 
1 1 1 10 6  98  o 12.44773 6.434461 0.1221175      0.1030894     0.1074604      0.1487237     0.1356727      0.1430240     12.01128 6.246168 12.14024 6.310729 -0.1289644     8.879184 
1 1 1 10 6  99  o 10.30224 5.338200 -0.5313430E-02 0.7718854E-01 -0.1465842E-01 0.1251215     0.4281749E-03  0.9807514E-01 10.38153 5.402455 10.39645 5.401047 -0.1492596E-01 7.639230 
1 1 1 10 6  100 o 9.552907 4.968708 0.1111481      0.9690040E-01 0.1269007      0.1533449     0.1006765      0.1250262     9.350513 4.869697 9.376204 4.882441 -0.2569008E-01 6.895809 
1 1 1 10 6  101 o 8.121215 4.228923 0.1014889      0.9604669E-01 -0.7568143E-01 0.1443390     0.2422779      0.1286687     7.814080 4.066833 8.221171 4.281105 -0.4070916     5.904828 
1 1 1 10 6  102 o 6.720286 3.498272 -0.1142940E-01 0.9948837E-01 0.8499347E-01  0.1774467     -0.5563570E-01 0.1201489     ?        ?        6.689245 3.479383 0.000000       3.479383 
1 1 1 10 6  103 o 5.606847 2.915971 -0.5738430E-01 0.8653334E-01 0.7014499E-01  0.1601622     -0.1099579     0.1028345     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 6  104 o ?        ?        0.1343486      0.1416006     0.2351871      0.2791699     0.9941930E-01  0.1643048     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 6  105 o ?        ?        0.2589317E-01  0.1006203     -0.1684131     0.1689755     0.1326445      0.1252469     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 6  106 o ?        ?        -0.3022454E-01 0.1022064     0.7864749E-01  0.1728598     -0.8874426E-01 0.1267322     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 6  107 o ?        ?        -0.6598702E-01 0.1040989     -0.3598769E-01 0.2353113     -0.7328670E-01 0.1160751     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 6  108 o ?        ?        -0.3244511E-01 0.1787029     0.000000       0.000000      -0.3244511E-01 0.1787029     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  0   o 101.4886 30.47083 0.9107600      0.3721134     0.000000       0.000000      0.9107600      0.3721134     101.4886 30.47083 101.4886 30.47083 0.000000       0.000000 
1 1 1 10 7  1   o 98.20137 18.08213 0.7125849      0.2361569     0.3694578      0.3304968     1.070552       0.3375680     73.39258 26.02593 119.6657 21.20559 -46.27316      33.57121 
1 1 1 10 7  2   o 180.0367 16.86125 2.336225       0.4142862     1.683818       0.5767449     3.031712       0.5954825     146.2955 29.56761 202.7041 21.60802 -56.40857      36.62172 
1 1 1 10 7  3   o 162.2090 16.85481 1.899740       0.3720050     1.930889       0.5266293     1.868717       0.5255612     159.7610 24.66676 156.8846 25.10747 2.876434       35.19708 
1 1 1 10 7  4   o 246.7584 16.76947 4.371460       0.5679947     3.263121       0.7886575     5.565898       0.8187172     205.7084 28.53343 275.1132 21.72870 -69.40479      35.86493 
1 1 1 10 7  5   o 218.5750 16.71408 3.432961       0.5006295     4.009732       0.7143375     2.876224       0.7018226     232.7522 22.50751 194.0577 26.91616 38.69453       35.08657 
1 1 1 10 7  6   o 230.6767 16.72151 3.821938       0.5290034     4.631793       0.7571532     3.049595       0.7394100     250.5502 22.11208 199.4160 27.59192 51.13417       35.35899 
1 1 1 10 7  7   o 183.4239 16.88751 2.425048       0.4229164     3.071901       0.6065755     1.813151       0.5899588     203.8542 21.89187 152.1701 29.13838 51.68408       36.44584 
1 1 1 10 7  8   o 217.1531 13.53031 3.343610       0.4036901     3.209300       0.4928214     3.617527       0.7037926     211.1091 17.05169 220.2920 23.49976 -9.182907      29.03444 
1 1 1 10 7  9   o 121.8303 14.01102 1.063117       0.2314104     1.027308       0.2821122     1.136767       0.4045880     118.4575 17.79754 121.7433 24.90695 -3.285774      30.61223 
1 1 1 10 7  10  o 112.8514 14.13387 0.9146180      0.2154141     1.001687       0.2626407     0.7356606      0.3765340     117.3368 16.67980 97.12960 27.06541 20.20720       31.79233 
1 1 1 10 7  11  o 177.8671 13.57961 2.248000       0.3309989     1.984339       0.4007009     2.814396       0.5872968     165.3484 17.83243 194.7909 22.23322 -29.44247      28.50108 
1 1 1 10 7  12  o 122.5286 13.99522 1.075318       0.2325377     1.085983       0.2821314     1.052722       0.4106458     122.0488 17.21938 116.4716 26.17144 5.577187       31.32812 
1 1 1 10 7  13  o 166.7428 13.66744 1.978026       0.3119166     1.733867       0.3774101     2.504193       0.5540388     154.3416 18.04985 183.5485 22.31943 -29.20689      28.70460 
1 1 1 10 7  14  o 72.83646 15.46021 0.3909535      0.1506803     0.3644311      0.1813777     0.4500294      0.2706965     69.86670 18.50642 77.37743 23.36875 -7.510727      29.80916 
1 1 1 10 7  15  o 138.0499 13.91096 1.361394       0.2615604     1.456135       0.3183824     1.164705       0.4587439     141.8593 16.56573 121.8024 27.87815 20.05689       32.42861 
1 1 1 10 7  16  o 288.5435 13.59106 5.886860       0.5415051     5.198400       0.6537235     7.391970       0.9665828     268.4239 17.73740 316.4973 22.25892 -48.07343      28.46181 
1 1 1 10 7  17  o 191.5308 13.66389 2.606752       0.3589983     2.863688       0.4392993     2.090189       0.6228879     199.7330 16.06428 163.7770 28.58330 35.95609       32.78820 
1 1 1 10 7  18  o 121.0364 14.12903 1.050810       0.2316943     1.077447       0.2807018     0.9938658      0.4104177     121.5223 17.20934 112.7758 26.75842 8.746407       31.81469 
1 1 1 10 7  19  o 158.8218 13.76565 1.797337       0.2989017     1.704019       0.3631278     1.993417       0.5263726     153.1740 17.48182 162.3975 24.21354 -9.223541      29.86485 
1 1 1 10 7  20  o 279.5536 11.72924 5.493921       0.4527653     5.259613       0.6318756     5.741164       0.6490846     270.4015 17.00997 282.7519 16.69894 -12.35040      23.83682 
1 1 1 10 7  21  o 143.0362 12.04713 1.449337       0.2357248     1.145017       0.3269098     1.778939       0.3402188     124.3282 19.69902 157.1817 15.89380 -32.85348      25.31134 
1 1 1 10 7  22  o 86.03157 13.19250 0.5340133      0.1517193     0.5488071      0.2087685     0.5174548      0.2208696     85.80464 18.18528 82.91530 19.60069 2.889343       26.73746 
1 1 1 10 7  23  o 94.97935 12.87441 0.6473872      0.1644958     0.6950862      0.2267696     0.5944159      0.2389744     97.02348 17.57365 88.84258 19.96640 8.180908       26.59869 
1 1 1 10 7  24  o 91.44969 15.47399 0.6107181      0.1884291     0.4451925      0.2232112     1.021193       0.3515012     76.78777 20.61732 115.9718 22.76283 -39.18399      30.71189 
1 1 1 10 7  25  o 129.8749 14.22979 1.209321       0.2510113     1.208344       0.3025791     1.211479       0.4495196     128.6406 17.48750 124.5547 26.92175 4.085953       32.10286 
1 1 1 10 7  26  o 169.6879 13.88498 2.052321       0.3224884     2.047489       0.3901412     2.062746       0.5730090     168.1765 17.03538 163.9195 26.19804 4.257019       31.24967 
1 1 1 10 7  27  o 270.9080 13.74269 5.209451       0.5123978     4.870133       0.6197740     5.942276       0.9108150     259.7985 17.37683 282.1161 23.59778 -22.31763      29.30545 
1 1 1 10 7  28  o 237.5820 13.75047 4.009936       0.4491675     4.291301       0.5480007     3.433946       0.7840683     244.4096 16.33173 211.1245 27.55226 33.28510       32.02893 
1 1 1 10 7  29  o 107.9317 27.43967 0.9188206      0.4098453     0.000000       0.000000      0.9188206      0.4098453     ?        ?        107.9317 27.43967 0.000000       27.43967 
1 1 1 10 7  30  o 126.9385 18.40355 1.184700       0.3131698     0.000000       0.000000      1.184700       0.3131698     ?        ?        126.9385 18.40355 0.000000       18.40355 
1 1 1 10 7  31  o 183.4762 17.29433 2.438980       0.4329789     0.000000       0.000000      2.438980       0.4329789     ?        ?        183.4762 17.29433 0.000000       17.29433 
1 1 1 10 7  32  o 93.69125 18.17152 0.6528774      0.2266036     0.5160313      0.3161930     0.7973787      0.3249166     82.25096 25.33954 101.7726 23.58239 -19.52165      34.61533 
1 1 1 10 7  33  o 113.4453 17.68888 0.9464601      0.2680553     1.322953       0.3795521     0.5718051      0.3786244     132.8478 21.41928 86.37403 27.88057 46.47381       35.15838 
1 1 1 10 7  34  o 148.3217 13.95199 1.573451       0.2823868     1.575921       0.3482614     1.568710       0.4824999     147.0138 17.49955 142.7136 25.41639 4.300217       30.85818 
1 1 1 10 7  35  o 179.0147 12.03700 2.268269       0.2958103     2.292137       0.4160773     2.243875       0.4206376     177.7468 17.16613 175.6461 17.57933 2.100708       24.57049 
1 1 1 10 7  36  f 146.4095 12.25089 1.522324       0.2453945     1.431542       0.3435508     1.616889       0.3506382     139.6189 18.25736 148.8986 17.38127 -9.279739      25.20794 
1 1 1 10 7  37  o 87.58854 13.68583 0.5562575      0.1601069     0.6357039      0.2242221     0.4736100      0.2286949     92.26925 18.24529 78.89521 20.72466 13.37404       27.61163 
1 1 1 10 7  38  o 172.0295 12.17103 2.098909       0.2872473     2.249509       0.4032187     1.943725       0.4093079     176.0754 16.78791 162.7021 18.55040 13.37331       25.01902 
1 1 1 10 7  39  o 80.67274 14.35893 0.4762665      0.1540882     0.4646533      0.2133474     0.4889301      0.2227862     78.22945 19.74819 80.15473 20.15076 -1.925278      28.21425 
1 1 1 10 7  40  o 34.92440 13.71749 0.5293828E-01  0.9670755E-01 0.1891315E-01  0.1320657     0.9227752E-01  0.1420048     36.56851 15.38519 43.19178 16.71846 -6.623272      22.72028 
1 1 1 10 7  41  o 63.36224 15.52173 0.2990991      0.1347305     0.4997528      0.1873082     0.8398508E-01  0.1939401     81.75064 17.14080 47.24747 19.13189 34.50317       25.68727 
1 1 1 10 7  42  o 150.9221 10.96570 1.612597       0.2269602     1.765259       0.3627719     1.514413       0.2909293     155.2363 17.21378 144.7838 14.75859 10.45255       22.67444 
1 1 1 10 7  43  o 98.67323 11.86060 0.6979566      0.1583635     0.7812279      0.2547705     0.6455235      0.2021644     101.8950 18.80011 93.36396 16.27307 8.531067       24.86477 
1 1 1 10 7  44  o 123.2712 11.27183 1.081864       0.1897407     1.198142       0.3052478     1.008647       0.2422206     127.0327 17.89814 117.5194 15.28873 9.513329       23.53909 
1 1 1 10 7  45  o 131.6967 11.18607 1.234601       0.2014935     1.283337       0.3235209     1.203717       0.2575427     131.0999 18.37641 128.6167 14.76945 2.483200       23.57603 
1 1 1 10 7  46  o 180.7767 9.794344 2.307006       0.2435748     2.508515       0.3444290     2.105408       0.3445047     186.7500 13.44675 170.2875 14.79837 16.46249       19.99517 
1 1 1 10 7  47  o 141.3866 10.02315 1.416754       0.1944135     1.347303       0.2738463     1.487329       0.2760514     135.7997 14.84576 143.0931 14.15689 -7.293396      20.51376 
1 1 1 10 7  48  o 91.67989 11.18744 0.6049630      0.1386883     0.5637829      0.1948476     0.6472496      0.1974480     86.29912 16.95604 93.05735 15.93947 -6.758232      23.27174 
1 1 1 10 7  49  o 125.4637 10.50603 1.122913       0.1803343     1.193167       0.2537366     1.051207       0.2563458     127.4726 14.68387 118.8935 16.02260 8.579041       21.73338 
1 1 1 10 7  50  f 79.81931 12.19315 0.4658147      0.1301246     0.3679938      0.1827714     0.5663641      0.1853027     68.75682 18.73886 86.58562 16.09111 -17.82880      24.69957 
1 1 1 10 7  51  f 79.91331 13.52965 0.4737037      0.1439668     0.2869673      0.1779333     0.8276857      0.2449815     61.12397 19.03812 104.0379 17.68616 -42.91395      25.98558 
1 1 1 10 7  52  o 127.2549 11.54477 1.169801       0.2006527     1.436445       0.2539823     0.7270176      0.3272899     140.1485 13.28292 92.74692 24.99218 47.40161       28.30274 
1 1 1 10 7  53  o 115.7908 10.74069 0.9659794      0.1697742     0.9928541      0.2389276     0.9385722      0.2412837     114.9547 15.44283 111.3015 16.17291 3.653191       22.36166 
1 1 1 10 7  54  o 85.94904 11.83050 0.5417604      0.1366836     0.5466622      0.1929491     0.5368230      0.1936525     83.78289 17.25284 82.89283 17.46964 0.8900604      24.55298 
1 1 1 10 7  55  o 65.59633 12.73469 0.3227999      0.1111877     0.5054544      0.1578707     0.1430207      0.1566231     81.65559 14.53434 47.21553 17.72941 34.44006       22.92551 
1 1 1 10 7  56  o 50.78396 13.14484 0.1961129      0.9289186E-01 0.8514442E-01  0.1323772     0.3037638      0.1303834     40.61658 16.01851 62.59083 15.23061 -21.97425      22.10349 
1 1 1 10 7  57  o 96.44948 12.77733 0.6913606      0.1659790     0.8634914      0.2690177     0.5855623      0.2109069     103.5011 19.53967 85.51758 18.40581 17.98349       26.84348 
1 1 1 10 7  58  o 93.86182 14.23808 0.6674886      0.1787432     0.7206981      0.2664273     0.6239372      0.2410375     92.90240 21.23250 86.81353 20.44511 6.088875       29.47578 
1 1 1 10 7  59  o 62.85557 15.48083 0.3097275      0.1334765     0.4172538      0.1822558     0.1853418      0.1960240     71.71136 18.33469 52.00042 19.76413 19.71094       26.95889 
1 1 1 10 7  60  o 74.93815 14.34336 0.4315556      0.1430134     0.6261591      0.1943592     0.2017875      0.2111907     89.41084 16.34494 53.67249 20.48703 35.73835       26.20831 
1 1 1 10 7  61  o 46.29956 15.42971 0.1597868      0.1155655     0.1699654      0.1566489     0.1476314      0.1711853     48.87733 17.84218 47.81839 18.39889 1.058937       25.62933 
1 1 1 10 7  62  o 85.72060 14.79359 0.5665234      0.1687764     0.5865301      0.2029314     0.5216340      0.3039716     85.36067 17.79358 75.79681 25.01295 9.563858       30.69625 
1 1 1 10 7  63  o 38.63040 15.24295 0.7875490E-01  0.1199259     0.2041297      0.1478628     -0.1622721     0.2050154     51.53455 17.45298 34.94833 16.45784 16.58622       23.98889 
1 1 1 10 7  64  o 47.20628 15.97009 0.1669142      0.1238027     0.1196667      0.1575874     0.2430888      0.2000955     44.75339 17.53102 55.97770 20.20610 -11.22430      26.75114 
1 1 1 10 7  65  o 48.43395 15.51945 0.1799433      0.1174800     0.9243111E-01  0.1674957     0.2646820      0.1648202     43.49648 17.71811 57.33356 18.38346 -13.83708      25.53200 
1 1 1 10 7  66  o 82.24179 13.63935 0.5155528      0.1494630     0.4491909      0.1988987     0.6016354      0.2265324     73.39674 19.35018 84.98392 19.69014 -11.58718      27.60672 
1 1 1 10 7  67  o 77.97602 13.86337 0.4656092      0.1437988     0.5257818      0.1916110     0.3880209      0.2175800     80.66245 17.69020 67.55315 21.05452 13.10931       27.49974 
1 1 1 10 7  68  o 95.49199 12.96469 0.6855120      0.1665294     0.6337385      0.2201676     0.7547343      0.2545787     88.08829 18.68008 95.32465 19.97997 -7.236359      27.35223 
1 1 1 10 7  69  f 52.09171 16.18510 0.2125470      0.1286888     0.4769124E-01  0.1846791     0.3681500      0.1794216     42.11844 17.97592 66.78011 18.70964 -24.66167      25.94580 
1 1 1 10 7  70  o 144.6246 13.50185 1.572974       0.2665148     1.670177       0.5399983     1.541672       0.3064378     128.8627 30.77197 140.8739 16.03934 -12.01120      34.70121 
1 1 1 10 7  71  o 72.63609 17.06889 0.4266223      0.1682983     0.9110103E-01  0.3466457     0.5301015      0.1925096     53.93810 23.79978 80.73918 17.75100 -26.80109      29.69053 
1 1 1 10 7  72  o 87.46527 13.97084 0.5879754      0.1630534     0.5092851      0.2535008     0.6435035      0.2129489     75.45979 22.57501 88.78721 17.98590 -13.32742      28.86388 
1 1 1 10 7  73  o 109.2504 12.83658 0.9022233      0.1899559     0.7986556      0.2947358     0.9758078      0.2484357     94.23901 22.87944 110.4479 16.82118 -16.20889      28.39755 
1 1 1 10 7  74  o 52.73856 16.50447 0.2250654      0.1335466     0.1625849      0.1887890     0.2876444      0.1889378     48.74789 19.15999 58.30866 19.72883 -9.560768      27.50149 
1 1 1 10 7  75  o 64.79477 17.22853 0.3532698      0.1568075     0.4672874      0.2207707     0.2371869      0.2227612     71.77405 20.96424 54.30842 20.96236 17.46563       29.64658 
1 1 1 10 7  76  o 37.88260 15.78530 0.6313474E-01  0.1370108     -0.1799459E-01 0.1623843     0.2636109      0.2552621     35.43405 15.91872 55.73565 22.16029 -20.30160      27.28523 
1 1 1 10 7  77  o 56.21037 18.93974 0.2825038      0.1741191     0.1791690      0.2090428     0.5166227      0.3146517     48.91373 19.84317 68.69731 25.25520 -19.78358      32.11816 
1 1 1 10 7  78  o 75.01743 17.20539 0.4931243      0.1744294     0.5539107      0.2420897     0.4274983      0.2515424     74.03628 22.04111 63.99122 22.70394 10.04506       31.64300 
1 1 1 10 7  79  o 55.77632 16.71918 0.2802204      0.1389437     0.2116804      0.1804023     0.3801618      0.2178426     48.82451 18.85909 60.57686 21.15915 -11.75235      28.34387 
1 1 1 10 7  80  o 27.31263 12.54393 -0.3844014E-01 0.1079901     -0.1322443     0.1608000     0.3862574E-01  0.1457491     29.24179 13.99829 35.34798 15.52034 -6.106197      20.90055 
1 1 1 10 7  81  o 40.03106 16.46159 0.1230552      0.1463044     0.2064020      0.2462568     0.7758750E-01  0.1818843     46.71636 20.35108 38.85756 17.18781 7.858803       26.63808 
1 1 1 10 7  82  o 100.8138 16.32437 0.9593410      0.2194758     1.148410       0.3052708     0.7570475      0.3157665     97.63729 23.01826 69.06449 25.31353 28.57280       34.21426 
1 1 1 10 7  83  o 67.32256 18.84922 0.5162285      0.1821711     0.3891324      0.2513053     0.6569735      0.2644552     50.53312 21.23979 65.05138 23.25806 -14.51825      31.49708 
1 1 1 10 7  84  o 68.92650 19.22857 0.5906305      0.1899365     0.6702506      0.2649635     0.5064704      0.2724128     60.61729 22.99278 50.96559 21.79399 9.651707       31.68038 
1 1 1 10 7  85  o 33.22217 14.49753 0.1073612      0.1254505     0.3796036E-01  0.1723561     0.1855510      0.1829445     31.19148 14.80768 37.14180 16.77140 -5.950321      22.37292 
1 1 1 10 7  86  o 20.44490 10.07387 -0.1118837     0.1011953     -0.9560342E-01 0.1363482     -0.1318492     0.1509934     23.85625 11.74285 23.91267 11.87570 -0.5641937E-01 16.70110 
1 1 1 10 7  87  o 18.20228 9.093392 -0.1394650     0.9414172E-01 -0.1457675     0.1117435     -0.1240517     0.1747484     19.68163 9.843627 23.85492 11.98416 -4.173298      15.50861 
1 1 1 10 7  88  o 18.82051 9.365273 -0.9171312E-01 0.9578412E-01 -0.9343731E-01 0.1182778     -0.8842786E-01 0.1632663     20.32765 10.16079 22.40377 11.29734 -2.076113      15.19446 
1 1 1 10 7  89  o 18.35162 9.082811 -0.4364803E-01 0.8551405E-01 -0.4187487E-01 0.1270406     -0.4511705E-01 0.1156330     20.31028 10.20542 19.84066 9.936419 0.4696178      14.24370 
1 1 1 10 7  90  o 21.02316 10.38307 0.8875515E-01  0.1096757     0.2279694      0.1649031     -0.2167352E-01 0.1468683     22.59921 11.39056 19.02902 9.707932 3.570187       14.96625 
1 1 1 10 7  91  o 19.40630 9.764178 0.1545132      0.1182906     0.2495898      0.1788747     0.8061781E-01  0.1576960     19.08162 9.802026 17.77610 9.135695 1.305519       13.39928 
1 1 1 10 7  92  o 16.54373 8.456101 0.1393301      0.1161986     0.1825369      0.1753856     0.1055265      0.1551314     16.04359 8.304721 15.72352 8.119632 0.3200674      11.61451 
1 1 1 10 7  93  o 14.04691 7.220006 0.7950803E-01  0.9885713E-01 0.2497188      0.1358073     -0.1123322     0.1441781     14.93105 7.705847 12.80727 6.651573 2.123781       10.17956 
1 1 1 10 7  94  o 12.09787 6.252418 0.1308249E-01  0.9631194E-01 0.1245846      0.1328935     -0.1102725     0.1397785     12.64918 6.565590 11.67413 6.070656 0.9750471      8.942026 
1 1 1 10 7  95  o 11.70554 6.062972 0.1348366      0.9720508E-01 0.2164757      0.1264868     0.1706774E-01  0.1519186     11.71675 6.087929 10.93621 5.693090 0.7805433      8.335115 
1 1 1 10 7  96  o 9.512393 4.938929 -0.1536173E-01 0.7714576E-01 0.2000932      0.1163582     -0.1843539     0.1030510     10.29990 5.358527 9.036314 4.703926 1.263591       7.130269 
1 1 1 10 7  97  o 8.646512 4.500268 0.8218736E-01  0.8974049E-01 0.1172391      0.1280677     0.4837267E-01  0.1257874     8.583091 4.469822 8.471698 4.411983 0.1113930      6.280518 
1 1 1 10 7  98  o 7.385685 3.844876 0.1254782      0.1213452     0.2557281      0.2562515     0.8782841E-01  0.1377713     ?        ?        7.321559 3.809088 0.000000       3.809088 
1 1 1 10 7  99  o 6.212844 3.227692 0.1026138      0.1245662     0.3017339      0.2612694     0.4403567E-01  0.1417094     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  100 o ?        ?        -0.2491042E-01 0.9643330E-01 -0.1327475     0.2368526     -0.3482579E-02 0.1055804     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  101 o ?        ?        0.5450748E-01  0.1077925     -0.4128512     0.2431277     0.1688502      0.1202579     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  102 o ?        ?        0.3608645E-02  0.1112339     0.2404815E-01  0.2386504     -0.2064120E-02 0.1257258     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  103 o ?        ?        0.8028135E-01  0.1244792     -0.4911258E-01 0.2575709     0.1197122      0.1421863     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  104 o ?        ?        -0.6826887E-01 0.1089811     0.3689302      0.2375395     -0.1848295     0.1226514     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 7  105 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 8  0   o 142.5306 28.02722 1.614288       0.4907953     0.000000       0.000000      1.614288       0.4907953     142.5306 28.02722 142.5306 28.02722 0.000000       0.000000 
1 1 1 10 8  1   o 142.7480 17.26754 1.482418       0.3334397     1.951026       0.4739717     1.023246       0.4691748     161.7935 21.76787 113.0485 29.67851 48.74494       36.80562 
1 1 1 10 8  2   o 71.81704 23.06517 0.3793123      0.2593785     0.000000       0.000000      0.3793123      0.2593785     ?        ?        71.81704 23.06517 0.000000       23.06517 
1 1 1 10 8  3   o 59.34547 17.83722 0.2572876      0.1579903     0.3438163      0.2221380     0.1687128      0.2247490     68.32154 21.27061 55.39312 21.13666 12.92842       29.98662 
1 1 1 10 8  4   o 46.25933 18.30269 0.9301291E-01  0.1733400     0.000000       0.000000      0.9301291E-01  0.1733400     ?        ?        46.25933 18.30269 0.000000       18.30269 
1 1 1 10 8  5   o 96.48094 25.16398 0.7232215      0.3387343     0.000000       0.000000      0.7232215      0.3387343     ?        ?        96.48094 25.16398 0.000000       25.16398 
1 1 1 10 8  6   o 168.0581 17.14959 2.046622       0.3923944     1.443962       0.5474524     2.683367       0.5627213     134.3193 30.24491 190.0414 21.84109 -55.72203      37.30667 
1 1 1 10 8  7   o 134.2983 25.79454 1.392873       0.4609534     0.000000       0.000000      1.392873       0.4609534     ?        ?        134.2983 25.79454 0.000000       25.79454 
1 1 1 10 8  8   o 82.46788 18.85557 0.5103574      0.2100407     0.4390337      0.2955496     0.5831405      0.2985581     76.75444 24.61781 87.05016 24.04359 -10.29572      34.41120 
1 1 1 10 8  9   o 112.2781 14.39721 0.9083372      0.2180670     1.011357       0.2662924     0.6986083      0.3799507     117.7045 16.86641 94.42441 27.48026 23.28009       32.24346 
1 1 1 10 8  10  f 142.8914 17.30022 1.486087       0.3343915     1.458636       0.4700971     1.514202       0.4757558     137.5311 25.69916 140.2950 25.49785 -2.763885      36.20203 
1 1 1 10 8  11  o 124.9431 14.24319 1.120900       0.2413379     1.313316       0.2960206     0.7395035      0.4167641     134.6261 16.25297 96.78664 28.94347 37.83941       33.19463 
1 1 1 10 8  12  o 95.58997 18.29281 0.6792323      0.2326559     0.8537672      0.3219809     0.4885421      0.3365527     105.7442 22.72786 80.69451 26.30443 25.04971       34.76318 
1 1 1 10 8  13  o 78.00613 18.30642 0.4559749      0.1937946     0.6980844      0.2658564     0.1814631      0.2830883     96.12482 20.64573 59.86802 23.48402 36.25680       31.26892 
1 1 1 10 8  14  o 130.8579 14.10963 1.227729       0.2509165     0.9316141      0.3018284     1.890213       0.4514582     111.5249 20.34957 159.5307 21.00514 -48.00578      29.24587 
1 1 1 10 8  15  o 76.49480 15.52717 0.4314110      0.1584044     0.4459537      0.1893802     0.3975386      0.2890253     77.17320 18.08713 73.70800 24.39347 3.465202       30.36751 
1 1 1 10 8  16  o 49.63499 17.38971 0.1604518      0.1471931     0.1017497      0.1999149     0.2299499      0.2175229     49.11107 19.58447 59.22583 21.10224 -10.11477      28.78986 
1 1 1 10 8  17  o 92.86559 19.18276 0.6463869      0.2378411     0.3821929      0.3291748     0.9349693      0.3440331     73.77822 25.99404 110.4719 23.28723 -36.69371      34.89964 
1 1 1 10 8  18  o 85.25826 19.31701 0.5473014      0.2221471     0.4453280      0.3086267     0.6569352      0.3200092     77.30466 25.18899 92.00716 24.67891 -14.70250      35.26377 
1 1 1 10 8  19  o 50.58034 19.57556 0.1302683      0.1946659     0.1302683      0.1946659     0.000000       0.000000      50.58034 19.57556 ?        ?        0.000000       19.57556 
1 1 1 10 8  20  o 75.37190 23.72121 0.4259054      0.2754333     0.4259054      0.2754333     0.000000       0.000000      75.37190 23.72121 ?        ?        0.000000       23.72121 
1 1 1 10 8  21  o 65.13032 19.20051 0.3149427      0.1844281     0.2935403      0.2543919     0.3386540      0.2677628     65.33912 22.86297 68.95209 23.48568 -3.612968      32.77640 
1 1 1 10 8  22  o 79.67445 15.72830 0.4684945      0.1668947     0.4880722      0.1995152     0.4228709      0.3045719     80.63572 18.33370 75.61008 25.04180 5.025642       31.03572 
1 1 1 10 8  23  o 103.5609 14.84585 0.7784200      0.2062218     0.8876601      0.2493289     0.5418471      0.3669139     109.9532 16.96811 84.18452 27.46643 25.76866       32.28500 
1 1 1 10 8  24  o 241.4802 11.76637 4.109522       0.3923396     4.168957       0.5505753     4.048203       0.5592299     240.2527 16.70005 236.3848 17.25211 3.867905       24.01098 
1 1 1 10 8  25  o 172.9627 12.06516 2.120547       0.2863482     1.886241       0.3990464     2.369269       0.4111394     160.3647 18.35130 180.8152 16.65426 -20.45047      24.78174 
1 1 1 10 8  26  o 89.11884 13.48548 0.5751793      0.1607612     0.5444555      0.2200264     0.6103642      0.2354586     84.88660 19.21856 89.87119 19.53167 -4.984581      27.40145 
1 1 1 10 8  27  o 101.3977 12.96320 0.7392865      0.1773462     0.6845823      0.2468449     0.7976480      0.2549629     95.30123 19.41721 103.4050 18.53753 -8.103729      26.84526 
1 1 1 10 8  28  o 131.6567 12.35254 1.235725       0.2219369     1.321569       0.3109664     1.146603       0.3168487     134.3074 17.16005 124.1268 19.09843 10.18060       25.67523 
1 1 1 10 8  29  o 115.9779 12.75713 0.9636952      0.2009218     0.9003174      0.2793735     1.031597       0.2891724     109.6454 19.14944 117.8829 18.36317 -8.237480      26.53125 
1 1 1 10 8  30  o 108.1720 12.80338 0.8403823      0.1875292     0.9647996      0.2617758     0.7092224      0.2687754     114.3965 17.09662 96.33981 20.81248 18.05671       26.93425 
1 1 1 10 8  31  o 205.9501 11.98897 3.009728       0.3394681     2.889451       0.4758557     3.134373       0.4844196     198.7784 17.51578 207.3690 17.06925 -8.590607      24.45734 
1 1 1 10 8  32  o 126.5930 12.66576 1.147899       0.2184296     1.060620       0.3049116     1.239907       0.3130620     118.9239 19.22395 129.3500 18.01695 -10.42610      26.34712 
1 1 1 10 8  33  f 84.46202 13.98134 0.5219175      0.1573560     0.4790381      0.2182960     0.5682970      0.2270309     79.01208 19.99243 86.27496 19.51412 -7.262871      27.93740 
1 1 1 10 8  34  o 85.09877 14.15710 0.5309911      0.1605104     0.5747952      0.2231259     0.4840104      0.2310747     86.81389 19.12926 79.11021 20.85678 7.703674       28.30078 
1 1 1 10 8  35  o 210.7121 12.05692 3.161936       0.3493469     3.096051       0.4900924     3.229995       0.4981074     205.1144 17.47037 209.6051 17.36653 -4.490707      24.63351 
1 1 1 10 8  36  o 238.8072 12.03650 4.063587       0.3956280     4.350506       0.5584802     3.774557       0.5605303     243.6783 16.69860 225.7481 18.13501 17.93021       24.65202 
1 1 1 10 8  37  o 95.40982 13.64629 0.6649312      0.1746604     0.8198617      0.2420825     0.4967201      0.2522451     104.5139 17.38529 79.39391 22.16293 25.12004       28.16814 
1 1 1 10 8  38  o 156.3904 12.44997 1.756918       0.2666274     1.777065       0.3747103     1.736255       0.3794710     154.1736 17.93667 152.0449 18.45271 2.128754       25.73376 
1 1 1 10 8  39  o 147.7624 12.54599 1.572895       0.2535605     1.888770       0.3572277     1.252159       0.3599652     159.7422 16.42945 126.8945 21.29838 32.84773       26.89885 
1 1 1 10 8  40  o 86.43805 14.38568 0.5540587      0.1656664     0.4858782      0.2304347     0.6269981      0.2383407     78.37318 20.90721 89.63783 19.78574 -11.26466      28.78519 
1 1 1 10 8  41  o 74.90282 15.10259 0.4225644      0.1508097     0.5209133      0.2118911     0.3215995      0.2146908     81.66440 19.12665 64.70431 21.00514 16.96009       28.40853 
1 1 1 10 8  42  o 105.3669 13.63132 0.8160914      0.1936768     0.7198700      0.2705258     0.9172681      0.2774043     95.02395 21.16075 108.8206 19.16125 -13.79668      28.54699 
1 1 1 10 8  43  o 89.67745 14.53903 0.6007915      0.1738705     0.5749729      0.2420146     0.6283326      0.2499578     84.64307 20.84467 88.58443 20.79164 -3.941353      29.44134 
1 1 1 10 8  44  o 134.0845 13.12828 1.315761       0.2399478     1.590922       0.3374439     1.034337       0.3412632     144.7532 17.22036 112.6434 22.72433 32.10976       28.51203 
1 1 1 10 8  45  f 123.2528 13.51523 1.119894       0.2262428     1.198182       0.3162589     1.037835       0.3237853     123.8536 19.10718 113.4490 21.45492 10.40463       28.72973 
1 1 1 10 8  46  o 79.38713 15.73784 0.4837303      0.1664218     0.3049202      0.2319422     0.6734694      0.2389252     62.66727 21.83633 91.87491 19.43987 -29.20764      29.23583 
1 1 1 10 8  47  o 77.37942 15.70584 0.4613908      0.1620796     0.5307424      0.2266751     0.3888412      0.2318425     80.62984 20.35651 68.85445 21.77425 11.77540       29.80781 
1 1 1 10 8  48  o 117.6599 11.69326 1.011248       0.1874609     1.068968       0.3036420     0.9756982      0.2382969     115.5799 19.73419 113.1857 15.66729 2.394203       25.19727 
1 1 1 10 8  49  o 124.1111 10.39434 1.113242       0.1764932     1.358376       0.2507015     0.8723738      0.2485111     135.1048 13.62444 105.4375 17.69616 29.66727       22.33337 
1 1 1 10 8  50  o 95.02232 11.09218 0.6604426      0.1428004     0.7016725      0.2019354     0.6192006      0.2019652     95.34410 15.89826 88.72976 17.10437 6.614342       23.35196 
1 1 1 10 8  51  o 113.5604 11.68929 0.9467047      0.1806776     1.096312       0.2882914     0.8499324      0.2318622     117.5478 18.36198 104.4990 16.62564 13.04880       24.77043 
1 1 1 10 8  52  o 75.94395 15.03763 0.4463702      0.1521133     0.5735618      0.2239198     0.3373761      0.2072835     83.40026 19.74912 63.99422 20.62619 19.40604       28.55639 
1 1 1 10 8  53  o 108.5186 13.16376 0.8813180      0.1932151     0.8169656      0.2279648     1.045463       0.3640823     102.0970 16.75138 108.5068 24.83639 -6.409721      29.95755 
1 1 1 10 8  54  o 74.02781 15.11576 0.4265076      0.1492866     0.4654816      0.1785322     0.3359084      0.2722014     76.15317 17.36356 63.93044 23.49183 12.22273       29.21231 
1 1 1 10 8  55  o 40.55502 11.15885 0.1235181      0.6445148E-01 0.8391345E-01  0.9038852E-01 0.1644827      0.9192727E-01 36.55548 13.51912 46.39713 13.52101 -9.841644      19.12026 
1 1 1 10 8  56  o 74.24218 13.05622 0.4181693      0.1289600     0.6929932      0.1971223     0.2125364      0.1705120     94.37642 15.67637 52.85942 18.69934 41.51700       24.40110 
1 1 1 10 8  57  o 80.55903 12.90173 0.4900890      0.1386726     0.5556810      0.2118668     0.4409282      0.1834200     82.07631 19.05963 73.43475 18.18440 8.641563       26.34278 
1 1 1 10 8  58  o 142.8035 10.39227 1.482048       0.2035157     1.646634       0.2887818     1.319650       0.2868572     147.3080 14.38071 130.1149 16.32559 17.19307       21.75614 
1 1 1 10 8  59  o 48.08932 14.57581 0.1780942      0.1051732     0.9762913E-01  0.1476507     0.2609723      0.1498483     42.38793 16.85370 57.04542 17.42239 -14.65749      24.24019 
1 1 1 10 8  60  o 83.89265 12.05660 0.5254315      0.1356515     0.4528041      0.1910874     0.5992147      0.1926018     74.12775 18.67688 86.95848 16.64655 -12.83073      25.01866 
1 1 1 10 8  61  o 32.80127 12.99003 0.5113148E-01  0.8739033E-01 0.2270038E-01  0.1229049     0.8020416E-01  0.1242839     34.59339 14.71188 39.13129 15.49301 -4.537895      21.36522 
1 1 1 10 8  62  o 47.58994 14.28587 0.1739859      0.1013891     0.2396484      0.1424620     0.1065923      0.1443278     54.96142 17.02141 42.85623 16.78020 12.10519       23.90196 
1 1 1 10 8  63  o 101.4491 11.32194 0.7585285      0.1558963     0.7363126      0.2196771     0.7810682      0.2212727     96.22836 17.16210 99.50478 16.69584 -3.276421      23.94344 
1 1 1 10 8  64  o 91.79050 13.25955 0.6373578      0.1631881     0.7278253      0.2674476     0.5836984      0.2059750     92.21301 21.41467 84.68864 18.15881 7.524376       28.07723 
1 1 1 10 8  65  o 76.70801 14.68055 0.4576218      0.1498322     0.4557520      0.2483378     0.4586921      0.1878811     71.86694 22.50900 74.58926 18.36441 -2.722321      29.05007 
1 1 1 10 8  66  o 64.98454 13.95256 0.3285373      0.1214588     0.3783687      0.1716891     0.2786134      0.1718484     67.65396 18.04596 58.26286 18.78078 9.391102       26.04562 
1 1 1 10 8  67  o 46.18827 14.47704 0.1647510      0.1027071     0.5700067E-01  0.1453325     0.2722564      0.1451672     38.93864 16.24420 57.76811 17.03595 -18.82946      23.53928 
1 1 1 10 8  68  o 44.90667 14.19428 0.1556969      0.9853119E-01 0.1706387      0.1388943     0.1405599      0.1397984     47.47156 16.86787 44.80539 16.76465 2.666168       23.78190 
1 1 1 10 8  69  o 40.20650 14.60897 0.1137246      0.1048445     0.9953790E-01  0.1383301     0.1328759      0.1607215     41.08471 16.32015 44.99300 17.68026 -3.908287      24.06115 
1 1 1 10 8  70  o 48.54918 16.67488 0.1892440      0.1350179     0.2251113      0.1559165     0.8170404E-01  0.2699774     52.09285 17.91743 47.65975 21.01787 4.433098       27.61856 
1 1 1 10 8  71  o 47.90059 16.40793 0.1872786      0.1307000     0.2119812      0.1508888     0.1130506      0.2615589     50.37829 17.60911 47.88861 20.91463 2.489681       27.34050 
1 1 1 10 8  72  o 49.46723 16.45852 0.2071255      0.1315101     0.2710039      0.1518556     0.1549881E-01  0.2630157     55.39049 17.63356 43.42188 19.80427 11.96861       26.51700 
1 1 1 10 8  73  o 81.01247 14.33796 0.5395679      0.1545208     0.3878780      0.1999241     0.7646259      0.2435197     62.97873 20.25232 90.16799 20.07481 -27.18927      28.51586 
1 1 1 10 8  74  o 42.72719 15.31219 0.1508338      0.1146887     0.1392546      0.1479579     0.1682642      0.1815314     42.56361 16.88772 45.57471 18.49041 -3.011101      25.04177 
1 1 1 10 8  75  o 84.71597 16.74286 0.6499606      0.1889107     0.4723509      0.2667635     0.8286306      0.2675585     62.11951 23.17493 87.85817 22.08047 -25.73866      32.00976 
1 1 1 10 8  76  o 64.70832 18.00315 0.4190354      0.1667345     0.3686694      0.2423213     0.4643209      0.2297750     54.84206 21.65868 62.01225 21.72696 -7.170189      30.67832 
1 1 1 10 8  77  o 97.22015 19.51254 1.000728       0.2528386     1.006806       0.4321790     0.9975651      0.3117576     67.29140 28.03719 84.80236 24.95337 -17.51096      37.53338 
1 1 1 10 8  78  o 58.35069 17.52968 0.3765813      0.1526167     0.3045398      0.2102748     0.4567766      0.2218558     47.56303 19.66504 56.36172 21.11324 -8.798683      28.85278 
1 1 1 10 8  79  o 52.36024 17.65154 0.3381669      0.1512396     0.1582810      0.2079501     0.5401621      0.2203592     38.23046 17.50232 58.64410 21.19904 -20.41364      27.49055 
1 1 1 10 8  80  o 26.93196 12.40107 0.1281366E-01  0.1064763     0.3363877E-01  0.1451505     -0.1144772E-01 0.1566688     30.05807 14.05689 28.90340 13.83130 1.154665       19.72057 
1 1 1 10 8  81  o 49.36340 18.26373 0.4116850      0.1650021     0.5436365      0.2161632     0.2274637      0.2554139     49.33099 20.11532 34.72924 16.87270 14.60175       26.25479 
1 1 1 10 8  82  o 20.74436 10.00164 -0.4082672E-01 0.8550982E-01 0.6577240E-01  0.1018832     -0.2948613     0.1572796     27.09266 12.34475 20.44815 10.39519 6.644510       16.13855 
1 1 1 10 8  83  o 27.27198 12.56588 0.1008663      0.1095688     0.1796866      0.1353838     -0.4877664E-01 0.1865417     30.32839 13.97186 24.14717 12.16367 6.181215       18.52479 
1 1 1 10 8  84  o 20.63163 10.09801 -0.3234031E-02 0.9641422E-01 0.6066162E-01  0.1374249     -0.6516951E-01 0.1353005     23.35088 11.54947 20.56355 10.35858 2.787325       15.51420 
1 1 1 10 8  85  o 20.29313 10.02852 0.3978936E-01  0.1028446     0.7956111E-01  0.1388038     -0.8621548E-02 0.1531389     21.26848 10.68424 19.89590 10.12829 1.372587       14.72193 
1 1 1 10 8  86  o 20.06494 10.09252 0.1491270      0.1258715     0.1735782      0.1722436     0.1211041      0.1843955     19.46174 9.973828 18.86111 9.697888 0.6006317      13.91137 
1 1 1 10 8  87  o 17.34682 8.864665 0.1477918      0.1270723     0.1340474      0.1759221     0.1627863      0.1837481     16.61959 8.584647 16.73898 8.650478 -0.1193905     12.18716 
1 1 1 10 8  88  o 13.90677 7.147686 0.4655556E-02  0.9675246E-01 -0.1747984     0.1412304     0.1633591      0.1328143     13.10071 6.799206 15.24784 7.858770 -2.147128      10.39180 
1 1 1 10 8  89  o 12.76333 6.608056 0.2406161E-01  0.1125171     0.1959249      0.1795820     -0.8700781E-01 0.1443672     13.27715 6.903954 12.31132 6.398613 0.9658318      9.413120 
1 1 1 10 8  90  o 10.92090 5.656705 -0.5940709E-01 0.8475436E-01 -0.1669655     0.1158984     0.6422996E-01  0.1242594     10.75634 5.592581 11.79262 6.125412 -1.036271      8.294434 
1 1 1 10 8  91  o 10.77180 5.601834 0.1139587      0.1201525     0.1024309      0.1622561     0.1279552      0.1787868     10.58981 5.514277 10.60236 5.521429 -0.1255608E-01 7.803423 
1 1 1 10 8  92  o 9.422029 4.906291 0.1151178      0.1261950     -0.1774387     0.1700956     0.4733012      0.1882092     8.982558 4.676721 9.675909 5.038344 -0.6933508     6.874345 
1 1 1 10 8  93  o 7.991114 4.161615 -0.1166328E-01 0.1081305     0.2740112E-02  0.1332431     -0.3944633E-01 0.1850557     8.024728 4.178029 8.004616 4.161767 0.2011204E-01  5.897138 
1 1 1 10 8  94  o 6.853395 3.567775 -0.5656813E-01 0.1028605     -0.1169314     0.1277943     0.5448224E-01  0.1733345     6.833156 3.553740 ?        ?        0.000000       3.553740 
1 1 1 10 8  95  o 5.665570 2.950471 -0.8679322E-01 0.5503449E-01 -0.8264060E-01 0.6488085E-01 -0.9744550E-01 0.1039145     5.743106 2.990572 5.842910 3.036753 -0.9980345E-01 4.262087 
1 1 1 10 8  96  o ?        ?        -0.4811107E-01 0.1074560     -0.1580814     0.1338239     0.1514792      0.1802875     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 8  97  o ?        ?        -0.1911779     0.5523067E-01 -0.3724264     0.1403635     -0.1579746     0.6007697E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 8  98  o ?        ?        -0.1336423     0.1185398     0.1745085E-01  0.2007961     -0.2144692     0.1468625     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 8  99  o ?        ?        -0.3889499E-02 0.1483921     -0.7611323E-02 0.2364567     -0.1471337E-02 0.1905972     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 8  100 o ?        ?        -0.3133844     0.5466313E-01 -0.1364616     0.1425242     -0.3438982     0.5918959E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 8  101 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 9  1   f 98.88737 25.97252 0.7782122      0.3592123     0.000000       0.000000      0.7782122      0.3592123     ?        ?        98.88737 25.97252 0.000000       25.97252 
1 1 1 10 9  2   o 109.6074 26.53468 0.9591177      0.3972969     0.000000       0.000000      0.9591177      0.3972969     ?        ?        109.6074 26.53468 0.000000       26.53468 
1 1 1 10 9  3   o 134.0745 26.56018 1.422514       0.4743290     0.000000       0.000000      1.422514       0.4743290     ?        ?        134.0745 26.56018 0.000000       26.56018 
1 1 1 10 9  4   o 61.09062 22.05265 0.2476874      0.2383419     0.000000       0.000000      0.2476874      0.2383419     ?        ?        61.09062 22.05265 0.000000       22.05265 
1 1 1 10 9  5   o 68.08136 23.29086 0.3345188      0.2633504     0.000000       0.000000      0.3345188      0.2633504     ?        ?        68.08136 23.29086 0.000000       23.29086 
1 1 1 10 9  6   o 71.67315 23.51144 0.3834720      0.2687201     0.000000       0.000000      0.3834720      0.2687201     ?        ?        71.67315 23.51144 0.000000       23.51144 
1 1 1 10 9  7   o 146.9153 26.31709 1.700428       0.5142716     0.000000       0.000000      1.700428       0.5142716     ?        ?        146.9153 26.31709 0.000000       26.31709 
1 1 1 10 9  8   f 107.8190 26.46472 0.9306538      0.3910817     0.000000       0.000000      0.9306538      0.3910817     ?        ?        107.8190 26.46472 0.000000       26.46472 
1 1 1 10 9  9   o 150.5990 26.25237 1.786425       0.5260724     0.000000       0.000000      1.786425       0.5260724     ?        ?        150.5990 26.25237 0.000000       26.25237 
1 1 1 10 9  10  o 152.1910 26.19388 1.823899       0.5306060     0.000000       0.000000      1.823899       0.5306060     ?        ?        152.1910 26.19388 0.000000       26.19388 
1 1 1 10 9  11  o 130.0750 26.60144 1.347862       0.4616751     0.000000       0.000000      1.347862       0.4616751     ?        ?        130.0750 26.60144 0.000000       26.60144 
1 1 1 10 9  12  o 97.38739 26.15664 0.7608118      0.3591973     0.000000       0.000000      0.7608118      0.3591973     ?        ?        97.38739 26.15664 0.000000       26.15664 
1 1 1 10 9  13  o 67.24818 23.18432 0.3263398      0.2611274     0.000000       0.000000      0.3263398      0.2611274     ?        ?        67.24818 23.18432 0.000000       23.18432 
1 1 1 10 9  14  o 109.7594 18.49162 0.9033405      0.2702940     1.242277       0.3779919     0.5486768      0.3866622     127.0256 22.36728 83.70314 28.22379 43.32247       36.01218 
1 1 1 10 9  15  f 129.8847 14.40699 1.222970       0.2540332     1.184668       0.3081791     1.304164       0.4487047     126.0664 18.23343 127.6801 26.32538 -1.613701      32.02317 
1 1 1 10 9  16  o 72.17869 19.65648 0.3992728      0.2011996     0.3978193      0.2808427     0.4008053      0.2883858     72.51264 24.04798 72.84776 24.37546 -0.3351135     34.24133 
1 1 1 10 9  17  o 176.3363 26.29811 2.465734       0.6207505     0.000000       0.000000      2.465734       0.6207505     ?        ?        176.3363 26.29811 0.000000       26.29811 
1 1 1 10 9  18  o 84.57538 26.06197 0.5726494      0.3344563     0.000000       0.000000      0.5726494      0.3344563     ?        ?        84.57538 26.06197 0.000000       26.06197 
1 1 1 10 9  19  o 72.33095 24.59692 0.3956239      0.2936966     0.000000       0.000000      0.3956239      0.2936966     ?        ?        72.33095 24.59692 0.000000       24.59692 
1 1 1 10 9  20  o 157.7575 17.71620 1.849030       0.3792494     2.554331       0.5335920     1.129012       0.5391300     182.7689 21.55797 113.5051 32.64850 69.26385       39.12379 
1 1 1 10 9  21  o 121.0836 18.14790 1.101716       0.2940760     1.436691       0.4049691     0.7280182      0.4277367     135.9488 22.34978 93.13305 29.58888 42.81577       37.08118 
1 1 1 10 9  22  o 107.1717 19.19840 0.8766426      0.2736733     1.166122       0.3837867     0.5771591      0.3903621     121.1742 23.78646 84.26667 28.35877 36.90758       37.01372 
1 1 1 10 9  23  o 76.68654 20.34035 0.4595056      0.2189156     0.1992696      0.3058513     0.7328792      0.3134764     60.65222 24.21226 95.36694 23.86310 -34.71471      33.99531 
1 1 1 10 9  24  o 131.4022 18.86403 1.309389       0.3324586     0.7826674      0.4628110     1.870983       0.4778862     95.11677 30.83748 154.2427 23.15274 -59.12594      38.56163 
1 1 1 10 9  25  o 65.19576 20.11899 0.3263255      0.1992325     0.3747370      0.2777509     0.2750164      0.2859424     69.96302 23.91926 63.77811 23.95418 6.184910       33.85164 
1 1 1 10 9  26  o 124.6828 19.28084 1.190228       0.3212368     1.201135       0.4492995     1.178822       0.4594660     119.2757 27.79488 117.4944 28.59160 1.781288       39.87524 
1 1 1 10 9  27  o 132.0608 14.78405 1.283661       0.2649660     1.566709       0.3230783     0.7021452      0.4630829     145.0288 16.42246 89.86115 30.88037 55.16764       34.97562 
1 1 1 10 9  28  o 78.90324 17.03206 0.4773161      0.1801290     0.5368430      0.2161355     0.3419487      0.3259315     82.80392 19.26573 68.53748 25.60714 14.26643       32.04519 
1 1 1 10 9  29  o 80.14571 14.36541 0.4800436      0.1531380     0.4853274      0.2113910     0.4742084      0.2221489     78.43044 19.57988 77.18118 20.49881 1.249252       28.34736 
1 1 1 10 9  30  o 91.39384 13.77475 0.6185582      0.1684377     0.5601603      0.2350570     0.6801946      0.2414868     83.76385 20.49118 93.08731 19.41575 -9.323456      28.22870 
1 1 1 10 9  31  f 53.33805 15.09314 0.2156531      0.1161597     0.1990040      0.1586955     0.2348681      0.1704867     52.53891 18.07608 56.11973 18.74198 -3.580822      26.03856 
1 1 1 10 9  32  o 111.0164 13.25231 0.9064818      0.1991348     0.8823324      0.2788689     0.9316079      0.2844524     105.7326 19.82933 108.8277 19.65240 -3.095116      27.91808 
1 1 1 10 9  33  o 62.84914 15.64045 0.3042691      0.1351907     0.3020228      0.1850621     0.3068397      0.1979666     62.09441 19.42811 62.59000 20.15561 -0.4955902     27.99464 
1 1 1 10 9  34  o 91.23777 14.31097 0.6243124      0.1743631     0.5965083      0.2419183     0.6543712      0.2515361     85.72690 20.67630 89.87449 20.69619 -4.147591      29.25477 
1 1 1 10 9  35  o 159.4217 12.58509 1.857701       0.2747868     2.156954       0.3874630     1.554887       0.3897617     168.2408 16.90750 139.3055 20.90792 28.93532       26.88875 
1 1 1 10 9  36  o 71.24531 15.32956 0.3909803      0.1463365     0.3463969      0.2018926     0.4403295      0.2124097     65.54232 20.25731 73.43753 20.27875 -7.895210      28.66333 
1 1 1 10 9  37  o 55.83423 15.60459 0.2415657      0.1249699     0.2928550      0.1735288     0.1863038      0.1801237     60.76512 18.78046 51.77769 19.09713 8.987427       26.78444 
1 1 1 10 9  38  o 71.02463 15.33061 0.3903370      0.1459444     0.5237027      0.2025859     0.2464426      0.2104307     80.78490 18.55224 57.34515 20.71804 23.43975       27.81048 
1 1 1 10 9  39  o 84.70219 14.66925 0.5472202      0.1653555     0.5870185      0.2301233     0.5047367      0.2377597     84.60640 20.01152 77.51212 21.47449 7.094276       29.35328 
1 1 1 10 9  40  o 43.10938 16.19861 0.1174296      0.1307877     0.7559379E-01  0.1528769     0.2316379      0.2525904     41.53475 16.92406 57.51157 22.28726 -15.97683      27.98474 
1 1 1 10 9  41  f 47.60395 17.24857 0.1585965      0.1460070     0.8357971E-01  0.1716983     0.3545241      0.2774819     43.57597 17.86611 65.67219 23.78103 -22.09621      29.74450 
1 1 1 10 9  42  o 62.65162 21.49628 0.3199064      0.2243562     0.3685143      0.3150135     0.2698690      0.3196116     66.79922 25.13191 61.58605 24.69254 5.213169       35.23257 
1 1 1 10 9  43  o 51.11479 19.46653 0.1777236      0.1904047     0.1527644      0.2654906     0.2041574      0.2732215     53.33594 22.07787 56.39560 22.75296 -3.059658      31.70378 
1 1 1 10 9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 9  45  f 72.75808 20.12141 0.4436373      0.2089433     0.4712279      0.2959449     0.4162154      0.2950380     72.73078 24.69110 69.15103 24.58286 3.579750       34.84203 
1 1 1 10 9  46  o 84.02271 20.42546 0.5930173      0.2346710     0.7170976      0.3271401     0.4614841      0.3368215     88.32595 25.43977 71.67152 26.16282 16.65443       36.49212 
1 1 1 10 9  47  o 51.55348 17.21529 0.2049420      0.1438428     0.2230535      0.2294503     0.1932154      0.1846273     55.52411 21.31613 51.79761 19.28856 3.726498       28.74763 
1 1 1 10 9  48  o 116.8292 13.74649 1.030681       0.2175171     1.233349       0.3091050     0.8318735      0.3061475     123.7630 18.66785 97.48846 23.09702 26.27453       29.69783 
1 1 1 10 9  49  o 96.25066 14.84670 0.7129969      0.1909737     0.8295386      0.2693606     0.5952059      0.2708005     99.85297 20.22918 82.07629 22.98202 17.77669       30.61687 
1 1 1 10 9  50  o 132.4242 13.65252 1.320636       0.2460623     1.656723       0.3481299     0.9851082      0.3478396     144.4495 17.83222 104.9514 24.45549 39.49812       30.26647 
1 1 1 10 9  51  o 127.6665 13.77632 1.229905       0.2390071     1.168407       0.3348983     1.293740       0.3412040     117.8517 21.36651 125.0125 20.47523 -7.160805      29.59329 
1 1 1 10 9  52  o 63.81553 17.15517 0.3286836      0.1544287     0.1600171      0.2136848     0.5130874      0.2234314     50.78520 20.24909 77.85140 20.50129 -27.06620      28.81542 
1 1 1 10 9  53  o 29.01745 12.84137 -0.1897955E-01 0.1016442     -0.1078201E-01 0.1367402     -0.2910267E-01 0.1519538     34.06522 14.99324 34.79296 15.53085 -0.7277374     21.58714 
1 1 1 10 9  54  o 96.80390 12.66862 0.7014490      0.1652769     0.5086930      0.2698454     0.8171720      0.2090841     75.67319 23.42472 102.9663 15.15946 -27.29307      27.90209 
1 1 1 10 9  55  o 54.22729 13.45139 0.2271625      0.1002346     0.2630878      0.1407533     0.1901978      0.1427747     57.38613 16.73290 50.06909 17.14912 7.317036       23.96001 
1 1 1 10 9  56  o 91.66892 12.94906 0.6328830      0.1593440     0.6177530      0.2596631     0.6420220      0.2018104     84.27991 22.05643 89.86931 16.88266 -5.589401      27.77608 
1 1 1 10 9  57  o 112.5451 12.26579 0.9431146      0.1875297     0.7334001      0.3033810     1.072792       0.2385650     90.16647 23.95889 118.1120 14.96321 -27.94552      28.24759 
1 1 1 10 9  58  o 92.51691 13.32101 0.6497729      0.1652691     0.8032742      0.2716736     0.5595929      0.2082317     97.18456 20.86800 82.22682 18.75510 14.95773       28.05757 
1 1 1 10 9  59  f 63.38825 13.25298 0.3101647      0.1122678     0.2805718      0.1576168     0.3406404      0.1599503     58.51818 17.86742 64.38158 17.52316 -5.863400      25.02610 
1 1 1 10 9  60  o 149.3819 10.50441 1.634448       0.2152958     1.800116       0.3040892     1.467937       0.3048607     152.8719 14.58256 135.9545 16.58304 16.91743       22.08276 
1 1 1 10 9  61  o 67.22652 13.56254 0.3523739      0.1215556     0.4027544      0.1704071     0.3001815      0.1734443     69.43561 17.71563 59.60317 18.83167 9.832436       25.85489 
1 1 1 10 9  62  o 59.49778 13.75783 0.2802632      0.1107729     0.2413818      0.1549359     0.3209210      0.1584357     53.97050 17.85994 61.60387 17.69268 -7.633373      25.13978 
1 1 1 10 9  63  o 59.72942 15.39255 0.2928408      0.1277462     0.4141037      0.1588203     0.7061171E-01  0.2150019     70.45448 16.59817 44.10523 19.11481 26.34925       25.31552 
1 1 1 10 9  64  o 41.04053 14.73900 0.1254178      0.1063163     0.1515632      0.1276257     0.6613674E-01  0.1921755     44.41729 16.12135 41.96589 18.12965 2.451401       24.26072 
1 1 1 10 9  65  o 52.74212 16.72003 0.2389227      0.1366392     0.1841922      0.1548235     0.4317199      0.2905845     47.62473 17.67734 63.98352 24.12450 -16.35880      29.90785 
1 1 1 10 9  66  o 56.18576 15.30503 0.2689941      0.1219604     0.2625326      0.1585943     0.2783453      0.1907903     53.95827 18.07620 54.67168 19.73129 -0.7134056     26.75954 
1 1 1 10 9  67  o 23.56835 10.71288 -0.2887080E-01 0.7613872E-01 -0.1683666E-02 0.9806723E-01 -0.7012825E-01 0.1208074     28.55947 12.62730 27.58780 12.87588 0.9716682      18.03433 
1 1 1 10 9  68  o 61.19301 15.00354 0.3260475      0.1258008     0.2435349      0.1620628     0.4511453      0.1995482     50.71159 18.19897 66.51676 20.05849 -15.80518      27.08404 
1 1 1 10 9  69  o 51.93150 15.16932 0.2437357      0.1155860     0.2581072      0.1484611     0.2216166      0.1841805     51.49044 17.48801 47.72483 18.87147 3.765606       25.72863 
1 1 1 10 9  70  o ?        ?        -0.2081360     0.2957036E-01 -0.1855443     0.4013085E-01 -0.2349732     0.4373939E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  71  o 43.70126 15.75147 0.1877464      0.1215294     0.3186523      0.1715375     0.5582546E-01  0.1722013     52.59630 18.73948 35.75052 16.19556 16.84578       24.76821 
1 1 1 10 9  72  f 60.27179 15.82404 0.3699158      0.1333731     0.2912138      0.1720860     0.4883052      0.2110617     48.32253 18.48179 59.32286 20.82126 -11.00034      27.84064 
1 1 1 10 9  73  o 44.00627 15.39843 0.2148283      0.1153960     0.1536330      0.1481082     0.3093656      0.1840864     37.68590 16.09142 46.28241 18.67507 -8.596508      24.65141 
1 1 1 10 9  74  o 44.57668 16.70936 0.2672017      0.1390010     0.2417821      0.1587925     0.3505337      0.2875089     40.99919 17.03127 40.28865 19.12598 0.7105446      25.60991 
1 1 1 10 9  75  o 27.83026 12.55458 0.5197261E-01  0.1022259     0.1285838      0.1240249     -0.1103532     0.1805330     32.87738 14.37915 26.12823 12.97763 6.749149       19.36953 
1 1 1 10 9  76  o 33.06224 14.59588 0.1699838      0.1305396     0.1135237      0.1705359     0.2498810      0.2028667     29.88704 14.33581 33.58992 15.98080 -3.702887      21.46861 
1 1 1 10 9  77  o 30.82367 13.58183 0.1565666      0.1125051     0.2468360      0.1658035     0.7953954E-01  0.1531600     32.08324 15.01025 26.72929 13.00444 5.353952       19.86009 
1 1 1 10 9  78  o 23.54669 11.26678 0.5751941E-01  0.1038989     0.4586820E-01  0.1417112     0.7106237E-01  0.1527831     23.54894 11.66177 24.21032 12.01028 -0.6613808     16.74048 
1 1 1 10 9  79  o 17.32758 8.579176 -0.3937021E-01 0.7655592E-01 -0.4956371E-02 0.9800275E-01 -0.9324504E-01 0.1226210     19.46324 9.649102 18.44610 9.356919 1.017138       13.44087 
1 1 1 10 9  80  o 17.43335 8.691714 -0.5046570E-02 0.8416481E-01 0.1823227      0.1076475     -0.2997157     0.1349964     23.16799 11.18325 15.24935 7.862449 7.918638       13.67052 
1 1 1 10 9  81  o 17.11503 8.632823 0.4394942E-01  0.9569701E-01 -0.4924807E-01 0.1218893     0.1937095      0.1545117     15.92722 8.177496 18.56258 9.508320 -2.635353      12.54112 
1 1 1 10 9  82  o 15.53013 7.920699 0.6071140E-01  0.9721980E-01 0.9659561E-02  0.1247316     0.1397326      0.1551824     14.88984 7.671557 15.80344 8.159460 -0.9136000     11.19953 
1 1 1 10 9  83  f 13.20914 6.806869 -0.4206248E-02 0.9897114E-01 -0.4844525E-01 0.1397733     0.4027791E-01  0.1401601     13.13643 6.816610 13.60224 7.052447 -0.4658089     9.808322 
1 1 1 10 9  84  o 12.61715 6.544343 0.6890899E-01  0.1246709     -0.1549167     0.1993162     0.2127588      0.1597873     12.01802 6.257784 13.02910 6.770965 -1.011081      9.219861 
1 1 1 10 9  85  o 11.74722 6.093944 0.1053336      0.1092827     0.4350519E-01  0.1483415     0.1787149      0.1616074     11.34403 5.903175 11.67673 6.076918 -0.3326998     8.472095 
1 1 1 10 9  86  o 10.20501 5.302979 0.3127634E-01  0.9712123E-01 0.1882637      0.1313743     -0.1579215     0.1442235     10.61581 5.524459 9.772663 5.089307 0.8431425      7.511371 
1 1 1 10 9  87  o 9.268250 4.826677 0.2080622      0.1429542     0.2599266      0.1749179     0.1037454      0.2480713     9.219111 4.800153 9.005103 4.680194 0.2140083      6.704154 
1 1 1 10 9  88  o 7.742168 4.031981 -0.3179652E-01 0.1008894     -0.2691368E-01 0.1228983     -0.4188740E-01 0.1766745     7.776788 4.049272 7.796014 4.053344 -0.1922560E-01 5.729415 
1 1 1 10 9  89  o 6.921693 3.601593 0.6477467E-01  0.1200062     0.1679912      0.1484090     -0.1302050     0.2039765     6.972162 3.623549 ?        ?        0.000000       3.623549 
1 1 1 10 9  90  o 5.872272 3.051675 0.4080396E-02  0.1065176     0.1418434E-01  0.1306218     -0.1597531E-01 0.1840302     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  91  o ?        ?        -0.9232239E-01 0.8387104E-01 -0.1140825     0.1043116     -0.5252866E-01 0.1410616     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  92  o ?        ?        0.1025363E-01  0.1321786     0.1955541      0.2215144     -0.9220456E-01 0.1647165     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  93  o ?        ?        0.2111398E-01  0.1471522     0.1328917      0.2229314     -0.6519170E-01 0.1958905     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  94  o ?        ?        -0.3019580E-01 0.1320688     0.4008182E-01  0.2010613     -0.8352955E-01 0.1751544     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  95  o ?        ?        -0.1371024     0.6446251E-01 -0.2969849     0.1300792     -0.8505630E-01 0.7421668E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 9  96  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 1   o 48.94183 19.75499 0.1161681      0.2060692     0.000000       0.000000      0.1161681      0.2060692     ?        ?        48.94183 19.75499 0.000000       19.75499 
1 1 1 10 10 2   o 55.03621 20.93627 0.1976031      0.2200852     0.000000       0.000000      0.1976031      0.2200852     ?        ?        55.03621 20.93627 0.000000       20.93627 
1 1 1 10 10 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 5   o 83.77521 25.85397 0.6035371      0.3289995     0.6035371      0.3289995     0.000000       0.000000      83.77521 25.85397 ?        ?        0.000000       25.85397 
1 1 1 10 10 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 8   o 147.1988 27.62260 1.879238       0.5408227     0.000000       0.000000      1.879238       0.5408227     ?        ?        147.1988 27.62260 0.000000       27.62260 
1 1 1 10 10 9   o 86.49939 26.48457 0.6542020      0.3460225     0.000000       0.000000      0.6542020      0.3460225     ?        ?        86.49939 26.48457 0.000000       26.48457 
1 1 1 10 10 10  o 67.50164 23.90294 0.3610511      0.2786821     0.000000       0.000000      0.3610511      0.2786821     ?        ?        67.50164 23.90294 0.000000       23.90294 
1 1 1 10 10 11  o 80.23180 20.27272 0.5209600      0.2246817     0.4401878      0.3161987     0.6033347      0.3193201     72.86488 25.48988 83.59004 25.41140 -10.72516      35.99268 
1 1 1 10 10 12  o 108.6302 28.00221 1.058600       0.4226958     0.000000       0.000000      1.058600       0.4226958     ?        ?        108.6302 28.00221 0.000000       28.00221 
1 1 1 10 10 13  o 72.94933 24.96592 0.4453593      0.3025934     0.000000       0.000000      0.4453593      0.3025934     ?        ?        72.94933 24.96592 0.000000       24.96592 
1 1 1 10 10 14  o 68.31696 24.46272 0.3757360      0.2926649     0.000000       0.000000      0.3757360      0.2926649     ?        ?        68.31696 24.46272 0.000000       24.46272 
1 1 1 10 10 15  o 38.39009 16.79423 -0.5529876E-02 0.1692763     0.000000       0.000000      -0.5529876E-02 0.1692763     ?        ?        38.39009 16.79423 0.000000       16.79423 
1 1 1 10 10 16  o 134.1552 19.13717 1.416676       0.3444579     1.689417       0.4889969     1.148046       0.4852981     139.5616 26.34045 109.6504 30.78794 29.91120       40.51810 
1 1 1 10 10 17  o 81.68154 16.60594 0.5191951      0.1809132     0.5181119      0.2180436     0.5215881      0.3241048     79.83809 19.86026 77.35207 25.84117 2.486015       32.59135 
1 1 1 10 10 18  f 46.24316 19.32009 0.7895405E-01  0.2060145     0.000000       0.000000      0.7895405E-01  0.2060145     ?        ?        46.24316 19.32009 0.000000       19.32009 
1 1 1 10 10 19  f 45.82487 19.22066 0.7367185E-01  0.2050992     0.000000       0.000000      0.7367185E-01  0.2050992     ?        ?        45.82487 19.22066 0.000000       19.22066 
1 1 1 10 10 20  f 35.69571 16.00915 -0.4301915E-01 0.1635006     0.000000       0.000000      -0.4301915E-01 0.1635006     ?        ?        35.69571 16.00915 0.000000       16.00915 
1 1 1 10 10 21  o 36.13374 16.21620 -0.4373993E-01 0.1680480     0.000000       0.000000      -0.4373993E-01 0.1680480     ?        ?        36.13374 16.21620 0.000000       16.21620 
1 1 1 10 10 22  o 20.30462 9.936324 -0.1704237     0.9323795E-01 0.000000       0.000000      -0.1704237     0.9323795E-01 ?        ?        20.30462 9.936324 0.000000       9.936324 
1 1 1 10 10 23  o 53.60599 21.43447 0.1743045      0.2401154     0.000000       0.000000      0.1743045      0.2401154     ?        ?        53.60599 21.43447 0.000000       21.43447 
1 1 1 10 10 24  o 95.88115 19.82331 0.7489168      0.2537813     1.118990       0.3478573     0.3278100      0.3710680     115.2244 22.67094 66.11053 26.57093 49.11389       34.92830 
1 1 1 10 10 25  o 40.84655 17.78150 0.1295711E-01  0.1877105     0.000000       0.000000      0.1295711E-01  0.1877105     ?        ?        40.84655 17.78150 0.000000       17.78150 
1 1 1 10 10 26  o 49.88292 20.50068 0.1252884      0.2267408     0.000000       0.000000      0.1252884      0.2267408     ?        ?        49.88292 20.50068 0.000000       20.50068 
1 1 1 10 10 27  o 52.96700 21.37907 0.1662923      0.2413366     0.000000       0.000000      0.1662923      0.2413366     ?        ?        52.96700 21.37907 0.000000       21.37907 
1 1 1 10 10 28  o 44.74053 19.12327 0.5438196E-01  0.2095654     0.000000       0.000000      0.5438196E-01  0.2095654     ?        ?        44.74053 19.12327 0.000000       19.12327 
1 1 1 10 10 29  f 38.29481 17.09302 -0.2883704E-01 0.1840314     0.000000       0.000000      -0.2883704E-01 0.1840314     ?        ?        38.29481 17.09302 0.000000       17.09302 
1 1 1 10 10 30  o 68.69331 25.20662 0.4057573      0.3132339     0.000000       0.000000      0.4057573      0.3132339     ?        ?        68.69331 25.20662 0.000000       25.20662 
1 1 1 10 10 31  o 42.40301 16.11981 0.1117642      0.1304162     -0.9758155E-01 0.2265333     0.2155457      0.1594997     39.38050 18.11651 52.97799 18.12585 -13.59749      25.62722 
1 1 1 10 10 32  o 37.23923 15.01995 0.6241666E-01  0.1190256     -0.2310341E-01 0.2221983     0.9683139E-01  0.1409545     41.93833 18.74612 41.91980 16.53032 0.1853561E-01  24.99337 
1 1 1 10 10 33  o 28.72637 13.22256 -0.7201862E-01 0.1209022     0.5064749E-01  0.1853129     -0.1629279     0.1595319     42.43747 18.05678 29.94086 14.22332 12.49662       22.98587 
1 1 1 10 10 34  o 73.78461 21.36379 0.4663838      0.2301637     0.4762970      0.3337409     0.4573925      0.3178421     72.49640 26.10570 71.46674 25.50356 1.029663       36.49574 
1 1 1 10 10 35  o 57.16593 17.69757 0.2617488      0.1540214     0.2267627      0.1860912     0.3378407      0.2744397     54.44995 19.50564 63.87585 23.56988 -9.425900      30.59427 
1 1 1 10 10 36  o 67.28082 18.24728 0.3706946      0.1738063     0.2365110      0.2099931     0.6625559      0.3097016     55.80639 20.61249 85.20910 24.81352 -29.40271      32.25811 
1 1 1 10 10 37  o 28.80958 12.64027 -0.1105892E-01 0.9652004E-01 -0.6570961E-01 0.1274583     0.6241430E-01  0.1477865     29.90901 13.69628 39.87564 16.48635 -9.966639      21.43334 
1 1 1 10 10 38  o 63.70188 16.37668 0.3242601      0.1448478     0.4530397      0.2003309     0.1831802      0.2096800     73.74651 19.40885 52.08710 20.27230 21.65940       28.06546 
1 1 1 10 10 39  o 49.93442 16.20228 0.1920350      0.1277424     0.1616862      0.1756072     0.2261427      0.1861647     48.98183 18.68513 54.36199 19.50574 -5.380154      27.01126 
1 1 1 10 10 40  o 31.94788 13.29191 0.2894222E-01  0.9693313E-01 0.2509115E-01  0.1339924     0.3317045E-01  0.1404003     35.99154 15.33510 37.19659 15.76761 -1.205051      21.99506 
1 1 1 10 10 41  o 34.65872 14.30448 0.4157399E-01  0.1109778     0.4696923E-01  0.1315944     0.2828700E-01  0.2065119     37.26376 15.49395 42.92945 18.66942 -5.665688      24.26128 
1 1 1 10 10 42  o 24.28004 11.32848 -0.7708499E-01 0.9339779E-01 0.2808764E-01  0.1095966     -0.3560870     0.1785047     33.44727 14.04074 26.72640 13.20855 6.720871       19.27714 
1 1 1 10 10 43  o 50.62713 17.76840 0.1923578      0.1537055     0.2126749      0.1852225     0.1474224      0.2754591     53.31404 19.41050 53.24895 22.30165 0.6509399E-01  29.56571 
1 1 1 10 10 44  o 38.70023 15.75961 0.6535094E-01  0.1324629     0.8665714E-01  0.1578760     0.1468311E-01  0.2434609     42.41431 17.23099 45.14050 19.93028 -2.726189      26.34622 
1 1 1 10 10 45  o 139.1026 16.00024 1.499289       0.3017284     1.934360       0.3691354     0.6233927      0.5237600     156.7082 17.35023 78.35077 31.54063 78.35745       35.99780 
1 1 1 10 10 46  o 63.20795 19.19880 0.3305673      0.1823279     0.3286355      0.2179483     0.3350711      0.3327949     62.72692 21.18958 64.37993 25.39575 -1.653011      33.07480 
1 1 1 10 10 47  o 99.78027 17.76919 0.7998398      0.2358473     0.8922210      0.2828138     0.5888927      0.4273616     103.1189 20.58309 77.08442 29.21001 26.03445       35.73357 
1 1 1 10 10 48  o 39.13345 16.23758 0.5851590E-01  0.1441003     0.3940380E-02  0.1681183     0.2096392      0.2797575     38.09108 16.69815 56.14513 22.88765 -18.05405      28.33148 
1 1 1 10 10 49  o 65.00873 16.61942 0.3419761      0.1497597     0.1704472      0.2134063     0.5084118      0.2102141     51.01154 20.26842 77.56499 19.61480 -26.55345      28.20548 
1 1 1 10 10 50  o 37.28012 15.69648 0.4262871E-01  0.1376325     -0.6997225E-01 0.1640489     0.3102755      0.2529201     33.90336 15.53017 60.87574 22.59424 -26.97237      27.41689 
1 1 1 10 10 51  o 13.28452 6.694287 -0.1761209     0.5678769E-01 -0.1570636     0.6143283E-01 -0.2880332     0.1488706     14.81349 7.391937 24.63220 12.15266 -9.818706      14.22420 
1 1 1 10 10 52  o 40.62898 16.24658 0.9176343E-01  0.1379582     0.7731971E-01  0.1669597     0.1228499      0.2449388     41.80082 17.42228 49.17331 20.83435 -7.372482      27.15891 
1 1 1 10 10 53  o 47.23863 17.19194 0.1692872      0.1452813     0.1778106      0.1784917     0.1525564      0.2500752     49.07607 18.81013 50.48454 21.20190 -1.408474      28.34328 
1 1 1 10 10 54  f 35.86802 15.10368 0.4439185E-01  0.1274570     -0.7034066E-01 0.1560572     0.2742555      0.2208898     32.50391 14.98378 56.46947 21.08418 -23.96556      25.86612 
1 1 1 10 10 55  o 59.95426 18.95959 0.3191591      0.1757782     0.3842594      0.2158860     0.1911121      0.3027736     64.10989 21.07582 53.02528 22.83204 11.08461       31.07238 
1 1 1 10 10 56  o 32.94107 14.44569 0.8256830E-02  0.1259211     -0.5800528E-01 0.1547322     0.1381936      0.2166776     32.52749 14.96712 46.88666 19.71548 -14.35917      24.75308 
1 1 1 10 10 57  o 33.76694 14.55167 0.2870983E-01  0.1231917     0.1303072      0.1505749     -0.1769643     0.2142403     42.99548 17.04358 33.67485 16.13029 9.320625       23.46635 
1 1 1 10 10 58  o 27.24122 12.32325 -0.2696861E-01 0.9929387E-01 -0.2947915     0.1348102     0.2906128      0.1468002     22.17076 11.04512 56.92641 17.21282 -34.75565      20.45180 
1 1 1 10 10 59  o 33.22018 13.22828 0.6562042E-01  0.9108531E-01 0.1551698      0.1500314     0.1334757E-01  0.1146276     43.97359 17.13875 31.40362 13.77680 12.56998       21.98947 
1 1 1 10 10 60  o 29.06448 11.95855 0.3872906E-01  0.7726291E-01 -0.4208066E-02 0.1066414     0.8617000E-01  0.1120950     29.16430 13.01509 36.30252 14.59930 -7.138218      19.55843 
1 1 1 10 10 61  o 16.54046 8.004096 -0.8010440E-01 0.5601500E-01 -0.1294244     0.7523225E-01 -0.1874936E-01 0.8391075E-01 18.03498 8.846365 25.10026 11.34400 -7.065287      14.38556 
1 1 1 10 10 62  o 35.73729 13.36209 0.1012186      0.8877891E-01 0.1153483      0.1228879     0.8579328E-01  0.1283980     38.22789 15.31686 36.21466 15.19969 2.013229       21.57862 
1 1 1 10 10 63  o 40.03355 14.39712 0.1450551      0.1014742     0.1303855      0.1561699     0.1557743      0.1334955     39.43576 16.66828 40.92976 16.10383 -1.493999      23.17682 
1 1 1 10 10 64  o 38.88763 14.39526 0.1419295      0.1025322     0.8580034E-01  0.1563033     0.1843266      0.1358445     35.81639 15.88347 42.15614 16.34224 -6.339745      22.78932 
1 1 1 10 10 65  f 33.20029 14.26082 0.8213905E-01  0.1175790     0.1301688      0.1419400     -0.2288917E-01 0.2098953     36.97989 15.77043 32.83401 15.78983 4.145885       22.31648 
1 1 1 10 10 66  o 23.32119 10.81223 -0.1888974E-01 0.8298852E-01 -0.4457215E-01 0.9359735E-01 0.7552677E-01  0.1794608     23.18085 10.97779 33.52322 15.66193 -10.34237      19.12611 
1 1 1 10 10 67  o 27.06713 11.91412 0.4288391E-01  0.8635895E-01 0.8201463E-01  0.1066941     -0.3145374E-01 0.1470571     30.70074 13.38431 27.23820 13.12840 3.462532       18.74819 
1 1 1 10 10 68  f 24.69535 11.41645 0.1373183E-01  0.9155044E-01 0.5370336E-01  0.1205544     -0.4072641E-01 0.1407147     28.22764 13.06741 25.52784 12.42994 2.699797       18.03498 
1 1 1 10 10 69  o 22.20591 10.38740 0.1353390E-02  0.7934596E-01 0.1316207      0.1175808     -0.1075700     0.1075175     30.80311 13.71223 20.38566 10.10645 10.41745       17.03425 
1 1 1 10 10 70  o 36.02788 14.81728 0.2406745      0.1185549     0.2754360      0.1826100     0.2153476      0.1558709     31.98016 15.19945 31.21089 14.58656 0.7692776      21.06635 
1 1 1 10 10 71  o 13.67542 6.854726 -0.1028116     0.5558627E-01 -0.8283199E-01 0.7280345E-01 -0.1307390     0.8607425E-01 16.50193 8.203923 16.49788 8.304390 0.4047394E-02  11.67336 
1 1 1 10 10 72  o 23.72977 11.17978 0.1032346      0.9479627E-01 0.1172468      0.1197937     0.7976072E-01  0.1550504     23.53308 11.46087 22.22853 11.18350 1.304544       16.01319 
1 1 1 10 10 73  o 15.01152 7.512515 -0.5981385E-01 0.6554396E-01 0.4870192E-01  0.8212154E-01 -0.2502538     0.1087902     19.58360 9.526624 14.67005 7.539577 4.913548       12.14915 
1 1 1 10 10 74  o 17.11816 8.591392 0.2600848E-01  0.8872122E-01 -0.1120377     0.1118052     0.2607540      0.1457970     15.31342 7.860567 20.39633 10.33055 -5.082906      12.98109 
1 1 1 10 10 75  o 13.86353 7.048066 -0.4230873E-01 0.7235496E-01 -0.1011728     0.9096082E-01 0.5910787E-01  0.1193943     13.62523 6.998774 16.03501 8.223515 -2.409788      10.79857 
1 1 1 10 10 76  o 13.13875 6.743818 -0.3665191E-01 0.8211839E-01 -0.2797586E-02 0.1134303     -0.7393661E-01 0.1190385     13.87611 7.156727 13.36115 6.906874 0.5149698      9.946036 
1 1 1 10 10 77  o 13.72184 7.079846 0.1298020      0.1130911     0.1870434      0.1583883     0.7026888E-01  0.1615278     13.54415 7.033000 13.06409 6.789542 0.4800606      9.775529 
1 1 1 10 10 78  f 10.19378 5.263967 -0.1051577     0.6513201E-01 0.7023083E-01  0.9119528E-01 -0.2877685     0.9305400E-01 12.29075 6.342074 9.904499 5.147553 2.386253       8.168183 
1 1 1 10 10 79  o 11.45763 5.943194 0.1247504      0.1032132     0.1575937      0.1324979     0.7406328E-01  0.1646017     11.32988 5.891870 10.97740 5.715624 0.3524866      8.208684 
1 1 1 10 10 80  o 10.02886 5.211848 0.5544792E-01  0.9474754E-01 0.5707630E-01  0.1211670     0.5288530E-01  0.1520021     9.959016 5.183649 9.907844 5.159765 0.5117226E-01  7.313917 
1 1 1 10 10 81  o 8.962098 4.666410 0.1034697      0.1117758     0.1904095E-01  0.1296106     0.3484914      0.2207992     8.753625 4.558708 8.955090 4.657302 -0.2014647     6.517076 
1 1 1 10 10 82  o 7.594761 3.955179 -0.2930960E-01 0.8992385E-01 -0.7495984E-02 0.1047883     -0.9025406E-01 0.1751525     7.658147 3.988179 7.628610 3.965358 0.2953672E-01  5.624023 
1 1 1 10 10 83  o 6.939740 3.610666 0.1655256      0.1217929     0.1815360      0.1414713     0.1196833      0.2393866     6.912988 3.593440 ?        ?        0.000000       3.593440 
1 1 1 10 10 84  o 5.841945 3.039725 -0.3054641E-01 0.8512911E-01 -0.6521300E-01 0.1065602     0.3060772E-01  0.1415312     5.832836 3.030878 ?        ?        0.000000       3.030878 
1 1 1 10 10 85  o ?        ?        0.1716831      0.1172409     0.1106639      0.1459606     0.2826406      0.1968252     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 10 86  o ?        ?        0.7614228E-01  0.1088010     0.3660851E-01  0.1273852     0.1827619      0.2091959     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 10 87  o ?        ?        0.6545211E-01  0.1267065     0.1236238      0.1604182     -0.3103248E-01 0.2065984     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 10 88  f ?        ?        0.2148649E-01  0.1163480     -0.7066123E-02 0.1466134     0.7005151E-01  0.1912109     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 10 89  o ?        ?        -0.2557725E-01 0.1014375     -0.6521133E-01 0.1293379     0.3776108E-01  0.1635026     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 10 90  o ?        ?        0.2661816      0.1912201     0.4151401      0.2742190     0.1251887      0.2667864     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 2   o 91.28088 27.44196 0.7976750      0.3739135     0.000000       0.000000      0.7976750      0.3739135     ?        ?        91.28088 27.44196 0.000000       27.44196 
1 1 1 10 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 5   o 90.86639 27.87992 0.7989531      0.3832147     0.7989531      0.3832147     0.000000       0.000000      90.86639 27.87992 ?        ?        0.000000       27.87992 
1 1 1 10 11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 9   o 78.51672 26.22909 0.5747499      0.3339085     0.000000       0.000000      0.5747499      0.3339085     ?        ?        78.51672 26.22909 0.000000       26.22909 
1 1 1 10 11 10  o 61.23112 22.92144 0.2986647      0.2613954     0.000000       0.000000      0.2986647      0.2613954     ?        ?        61.23112 22.92144 0.000000       22.92144 
1 1 1 10 11 11  o 19.89362 9.770503 -0.1779669     0.9270000E-01 0.000000       0.000000      -0.1779669     0.9270000E-01 ?        ?        19.89362 9.770503 0.000000       9.770503 
1 1 1 10 11 12  o 35.81920 16.05187 -0.3511446E-01 0.1640307     0.000000       0.000000      -0.3511446E-01 0.1640307     ?        ?        35.81920 16.05187 0.000000       16.05187 
1 1 1 10 11 13  o 63.43603 23.90058 0.3285544      0.2850986     0.000000       0.000000      0.3285544      0.2850986     ?        ?        63.43603 23.90058 0.000000       23.90058 
1 1 1 10 11 14  o 75.16682 26.14298 0.5218433      0.3323790     0.000000       0.000000      0.5218433      0.3323790     ?        ?        75.16682 26.14298 0.000000       26.14298 
1 1 1 10 11 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 17  o 69.87047 25.40415 0.4326675      0.3171167     0.4326675      0.3171167     0.000000       0.000000      69.87047 25.40415 ?        ?        0.000000       25.40415 
1 1 1 10 11 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 19  o 84.91394 27.04887 0.6889184      0.3572712     0.6889184      0.3572712     0.000000       0.000000      84.91394 27.04887 ?        ?        0.000000       27.04887 
1 1 1 10 11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 22  o 51.23514 21.07367 0.1436333      0.2398365     0.000000       0.000000      0.1436333      0.2398365     ?        ?        51.23514 21.07367 0.000000       21.07367 
1 1 1 10 11 23  o 64.59766 24.18906 0.3459697      0.2911499     0.000000       0.000000      0.3459697      0.2911499     ?        ?        64.59766 24.18906 0.000000       24.18906 
1 1 1 10 11 24  o 29.31281 13.76637 -0.1205952     0.1417454     0.000000       0.000000      -0.1205952     0.1417454     ?        ?        29.31281 13.76637 0.000000       13.76637 
1 1 1 10 11 25  o 37.31623 15.94486 0.2631433E-01  0.1456087     0.7023677E-02  0.2242742     0.4037071E-01  0.1914443     43.37281 19.14039 42.34771 18.19372 1.025105       26.40769 
1 1 1 10 11 26  o 38.32940 16.64034 0.1319553E-01  0.1635024     0.2319195      0.2729393     -0.1092253     0.2041951     57.59127 22.90950 36.77736 17.01877 20.81392       28.53916 
1 1 1 10 11 27  o 55.53985 16.88377 0.2448114      0.1409650     0.3599900      0.1775392     0.4833825E-01  0.2318783     66.18634 18.63522 45.86561 19.86429 20.32073       27.23714 
1 1 1 10 11 28  o 59.55660 18.20588 0.2872035      0.1635843     0.4200262      0.2063644     0.6262344E-01  0.2683394     70.66161 20.15994 48.93608 21.28152 21.72553       29.31426 
1 1 1 10 11 29  o 29.73174 13.83076 -0.9779329E-01 0.1375694     0.1160861      0.2479047     -0.1929639     0.1653681     50.20335 21.09809 29.59416 14.17455 20.60919       25.41747 
1 1 1 10 11 30  f 40.88188 15.99939 0.9447337E-01  0.1311598     -0.4343689     0.2459901     0.3045402      0.1550363     31.94310 15.73299 61.35608 17.46303 -29.41299      23.50499 
1 1 1 10 11 31  o 53.58571 19.94675 0.2122243      0.1974051     0.1362370      0.3149441     0.2613954      0.2533482     54.51816 23.37653 58.55735 22.41809 -4.039192      32.38877 
1 1 1 10 11 32  o 50.34114 19.54576 0.1690250      0.1945583     0.1855320      0.3131933     0.1586520      0.2482735     56.52719 23.73274 52.32196 21.47160 4.205223       32.00426 
1 1 1 10 11 33  o 56.21590 20.36345 0.2470118      0.2034829     0.2345597      0.3048677     0.2570154      0.2732571     58.44846 23.86719 58.66931 23.05383 -0.2208519     33.18315 
1 1 1 10 11 34  o 27.16785 12.51033 -0.6574204E-01 0.1083794     -0.1113710     0.2464158     -0.5479839E-01 0.1206784     40.30489 18.66680 29.49189 13.43691 10.81300       23.00000 
1 1 1 10 11 35  o 55.36537 18.28115 0.2462142      0.1623630     -0.4958631     0.3233695     0.4963539      0.1877439     37.02023 18.19549 77.89610 17.83864 -40.87587      25.48123 
1 1 1 10 11 36  o 66.67603 16.48550 0.3592606      0.1509222     0.4113120      0.2150877     0.3087777      0.2118221     68.94134 20.83277 60.67576 20.88324 8.265579       29.49769 
1 1 1 10 11 37  o 56.05740 16.92122 0.2547429      0.1419570     0.2465465      0.2057144     0.2621942      0.1961426     55.72351 20.43040 56.76219 20.05817 -1.038677      28.63096 
1 1 1 10 11 38  o 59.27330 16.57739 0.2865652      0.1409851     0.2451731      0.2040065     0.3244067      0.1950604     55.39839 20.34024 61.66391 20.02199 -6.265522      28.54130 
1 1 1 10 11 39  o 57.20740 16.51349 0.2674391      0.1377060     0.1595787      0.1986798     0.3671599      0.1910363     49.08348 19.53947 65.26260 19.61382 -16.17913      27.68561 
1 1 1 10 11 40  o 63.47074 17.12198 0.3353129      0.1535150     0.5595992      0.2222071     0.1305129      0.2123350     80.00915 20.13028 47.75289 19.75377 32.25626       28.20354 
1 1 1 10 11 41  f 40.52899 15.17052 0.1118044      0.1144980     0.1336450      0.1630466     0.9055471E-01  0.1608255     45.10075 17.78054 41.94044 17.25443 3.160305       24.77626 
1 1 1 10 11 42  o 53.32633 16.65048 0.2358620      0.1360068     0.3406124      0.1935382     0.1336606      0.1911691     61.88200 19.92904 46.32792 18.90667 15.55407       27.47050 
1 1 1 10 11 43  o 24.16031 11.13656 -0.5134112E-01 0.8617994E-01 -0.4870677E-01 0.1289406     -0.5346808E-01 0.1158598     30.29313 13.83576 28.39495 13.02326 1.898182       19.00089 
1 1 1 10 11 44  o 59.30674 16.78718 0.3009577      0.1436758     0.2926581      0.2073638     0.3086208      0.1992552     56.92217 20.56631 58.25011 20.24253 -1.327938      28.85712 
1 1 1 10 11 45  o 36.56573 14.99089 0.6821915E-01  0.1208714     0.1117562      0.1521914     -0.6154949E-02 0.1989167     41.95475 16.96226 38.65113 17.46734 3.303619       24.34803 
1 1 1 10 11 46  o 23.44922 11.05304 -0.8073059E-01 0.9286737E-01 0.9828263E-01  0.1149395     -0.4173256     0.1576088     38.44664 14.99651 22.44168 11.28874 16.00496       18.77048 
1 1 1 10 11 47  o 27.97794 12.74795 -0.3569650E-01 0.1086427     0.6074823E-01  0.1394085     -0.1848629     0.1733746     37.06598 15.71200 29.43125 14.20297 7.634735       21.17998 
1 1 1 10 11 48  o 24.79555 11.52139 -0.5704647E-01 0.9502938E-01 -0.7923650E-01 0.1235206     -0.2486453E-01 0.1487533     27.51090 12.89796 32.75726 14.92217 -5.246363      19.72381 
1 1 1 10 11 49  o 43.56727 16.43536 0.1576572      0.1349147     0.1108864      0.1690498     0.2397053      0.2239039     41.33600 17.39964 50.34576 20.49425 -9.009758      26.88423 
1 1 1 10 11 50  f 22.77043 10.67910 -0.6187256E-01 0.8479948E-01 -0.1527500     0.1092564     0.7582090E-01  0.1344855     22.49577 10.95339 36.76687 15.50007 -14.27110      18.97970 
1 1 1 10 11 51  o 26.89814 12.19741 -0.1909617E-01 0.9795623E-01 -0.3644806E-02 0.1239187     -0.4483431E-01 0.1599344     30.64812 13.82447 31.96625 14.88438 -1.318130      20.31405 
1 1 1 10 11 52  o 18.10556 8.878276 -0.1262439     0.7559284E-01 0.2216195E-01  0.9642657E-01 -0.3628730     0.1217601     29.18309 12.72330 18.70602 9.470666 10.47706       15.86115 
1 1 1 10 11 53  o 39.61782 15.17800 0.1404789      0.1161824     0.1561174      0.1653907     0.1252438      0.1632438     41.31735 17.29059 39.39142 16.85851 1.925934       24.14900 
1 1 1 10 11 54  o 33.66362 14.78200 0.6229704E-01  0.1322357     -0.2886207     0.2000540     0.3345913      0.1762235     27.10741 13.49636 52.68272 18.96991 -25.57532      23.28109 
1 1 1 10 11 55  o 29.16025 13.38137 0.4238782E-02  0.1225419     -0.1032371     0.1885260     0.8286848E-01  0.1612534     29.88173 14.51262 35.19884 15.83354 -5.317116      21.47829 
1 1 1 10 11 56  o 26.19737 12.37992 -0.3777886E-01 0.1178589     -0.4332986E-01 0.1828436     -0.3383295E-01 0.1541587     30.37099 14.63850 29.05215 13.85199 1.318840       20.15349 
1 1 1 10 11 57  o 36.48398 17.02035 0.1611235      0.2107211     0.1611235      0.2107211     0.000000       0.000000      36.48398 17.02035 ?        ?        0.000000       17.02035 
1 1 1 10 11 58  o 26.36800 12.78002 -0.4714477E-01 0.1442280     -0.4714477E-01 0.1442280     0.000000       0.000000      26.36800 12.78002 ?        ?        0.000000       12.78002 
1 1 1 10 11 59  o 34.88128 15.97076 0.2042566      0.1732135     -0.5031963E-01 0.2377766     0.4921061      0.2528383     28.59085 14.30836 41.21968 19.02629 -12.62883      23.80607 
1 1 1 10 11 60  f 34.06667 15.80914 0.2455020      0.1780396     0.2888334      0.2470756     0.1987012      0.2567765     32.89596 16.11437 31.00696 15.41381 1.888996       22.29929 
1 1 1 10 11 61  o 32.45320 14.74146 0.2161695      0.1438585     0.1847930      0.1771273     0.2769764      0.2465810     29.85547 14.39454 30.32896 15.08130 -0.4734898     20.84822 
1 1 1 10 11 62  f 22.22987 10.77749 0.1146070E-01  0.1027604     0.1293888E-01  0.1272269     0.8686718E-02  0.1742875     23.02436 11.33528 23.80984 11.96244 -0.7854881     16.47995 
1 1 1 10 11 63  o 23.51921 11.46605 0.8387095E-01  0.1207943     0.2023734      0.1486253     -0.1467304     0.2073289     26.44493 12.85320 20.92380 10.73803 5.521130       16.74843 
1 1 1 10 11 64  o 25.57030 12.03279 0.1851395      0.1092263     0.1089110      0.1697222     0.2390312      0.1427056     21.65916 10.98903 25.00608 12.24886 -3.346920      16.45580 
1 1 1 10 11 65  o 20.31993 9.838985 0.8509138E-01  0.8496276E-01 0.1269371      0.1186750     0.4109041E-01  0.1216928     20.61174 10.28346 18.80058 9.512858 1.811165       14.00871 
1 1 1 10 11 66  f 19.60610 9.648577 0.1266699      0.9187531E-01 0.1477283      0.1265745     0.1032195      0.1335702     18.79304 9.530064 18.00192 9.190380 0.7911167      13.23953 
1 1 1 10 11 67  o 19.60599 9.776739 0.2486029      0.1066994     0.2427896      0.1476055     0.2549649      0.1544163     17.41013 8.941875 17.35251 8.919435 0.5761528E-01  12.62986 
1 1 1 10 11 68  o 14.19135 7.260784 0.3013030E-01  0.8758835E-01 0.5926736E-01  0.1340571     0.8427382E-02  0.1156981     14.39225 7.436056 13.99805 7.220003 0.3941927      10.36452 
1 1 1 10 11 69  o 13.13006 6.749021 0.3540321E-01  0.8840467E-01 0.1525995      0.1347781     -0.5309506E-01 0.1171196     13.72439 7.109552 12.49900 6.479323 1.225389       9.619114 
1 1 1 10 11 70  o 11.87834 6.128301 -0.2996490E-02 0.8444377E-01 -0.1029599E-02 0.1298253     -0.4438868E-02 0.1111751     12.02998 6.248985 11.97262 6.209162 0.5735970E-01  8.809285 
1 1 1 10 11 71  o 11.73025 6.054626 0.7540731E-01  0.8428043E-01 0.1698330E-01  0.1141215     0.1455020      0.1250012     11.20873 5.823082 11.74843 6.103322 -0.5397005     8.435569 
1 1 1 10 11 72  o 10.35852 5.367342 0.2397567E-01  0.7802035E-01 0.1782983E-01  0.1048042     0.3161560E-01  0.1168511     10.30494 5.357455 10.35233 5.385487 -0.4738331E-01 7.596433 
1 1 1 10 11 73  o 8.102125 4.207152 -0.1226055     0.5668551E-01 -0.2040907     0.7385472E-01 -0.5782653E-02 0.8843066E-01 8.149436 4.239958 9.199419 4.784491 -1.049983      6.392855 
1 1 1 10 11 74  o 8.483388 4.415536 0.5345756E-01  0.8894434E-01 0.7168297E-01  0.1109520     0.2068319E-01  0.1487866     8.472685 4.412341 8.357409 4.350987 0.1152754      6.196761 
1 1 1 10 11 75  o 7.635594 3.976394 0.1299513      0.1013616     0.7191186E-01  0.1272977     0.2304999      0.1675510     7.487869 3.897872 7.565326 3.932862 -0.7745695E-01 5.537220 
1 1 1 10 11 76  o 6.673533 3.474107 0.8576049E-01  0.9700177E-01 0.4893741E-01  0.1217554     0.1497455      0.1604971     6.604358 3.434754 ?        ?        0.000000       3.434754 
1 1 1 10 11 77  o 5.829271 3.031821 0.6485595E-01  0.9234194E-01 0.5855611E-01  0.1177992     0.7489759E-01  0.1487237     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 78  o 4.920244 2.558538 -0.4822797E-01 0.6869550E-01 0.8188980E-01  0.8587630E-01 -0.2794450     0.1144761     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 79  o ?        ?        -0.7980863E-01 0.7234620E-01 -0.1459622     0.8306184E-01 0.1281099      0.1472555     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 80  o ?        ?        -0.7789723E-01 0.7339304E-01 -0.1133006     0.8481306E-01 0.2765421E-01  0.1464444     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 81  o ?        ?        -0.4750236E-01 0.9325759E-01 -0.7670736E-01 0.1148929     0.8898391E-02  0.1596640     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 82  o ?        ?        0.2154324E-01  0.1087237     0.2096814E-01  0.1323123     0.2273891E-01  0.1907796     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 83  o ?        ?        0.7684039E-01  0.1225218     0.1400622      0.1506029     -0.4690217E-01 0.2106975     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 11 84  o ?        ?        -0.9686284E-01 0.1817190     -0.9686284E-01 0.1817190     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 3   o 60.58411 22.57848 0.3012667      0.2530786     0.000000       0.000000      0.3012667      0.2530786     ?        ?        60.58411 22.57848 0.000000       22.57848 
1 1 1 10 12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 5   o 40.66786 17.67410 0.2547207E-01  0.1848344     0.2547207E-01  0.1848344     0.000000       0.000000      40.66786 17.67410 ?        ?        0.000000       17.67410 
1 1 1 10 12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 11  o 54.04629 21.48218 0.2064854      0.2398129     0.000000       0.000000      0.2064854      0.2398129     ?        ?        54.04629 21.48218 0.000000       21.48218 
1 1 1 10 12 12  o 34.48611 15.76417 -0.6514959E-01 0.1678347     0.000000       0.000000      -0.6514959E-01 0.1678347     ?        ?        34.48611 15.76417 0.000000       15.76417 
1 1 1 10 12 13  o 63.76744 24.20771 0.3554330      0.2938575     0.000000       0.000000      0.3554330      0.2938575     ?        ?        63.76744 24.20771 0.000000       24.20771 
1 1 1 10 12 14  o 34.58595 15.82836 -0.6649343E-01 0.1698726     0.000000       0.000000      -0.6649343E-01 0.1698726     ?        ?        34.58595 15.82836 0.000000       15.82836 
1 1 1 10 12 15  o 48.15863 20.43359 0.1076955      0.2361437     0.000000       0.000000      0.1076955      0.2361437     ?        ?        48.15863 20.43359 0.000000       20.43359 
1 1 1 10 12 16  o 68.35550 25.49823 0.4426214      0.3229110     0.000000       0.000000      0.4426214      0.3229110     ?        ?        68.35550 25.49823 0.000000       25.49823 
1 1 1 10 12 17  o 57.44147 23.22865 0.2527758      0.2854787     0.000000       0.000000      0.2527758      0.2854787     ?        ?        57.44147 23.22865 0.000000       23.22865 
1 1 1 10 12 18  o 48.44085 18.94642 0.1622052      0.1838449     0.1669916      0.2584740     0.1573045      0.2615451     51.95373 21.66767 51.59525 21.67626 0.3584824      30.64879 
1 1 1 10 12 19  o 44.60480 19.31493 0.6467620E-01  0.2191546     0.000000       0.000000      0.6467620E-01  0.2191546     ?        ?        44.60480 19.31493 0.000000       19.31493 
1 1 1 10 12 20  o 26.85531 12.94156 -0.1798637     0.1427518     0.000000       0.000000      -0.1798637     0.1427518     ?        ?        26.85531 12.94156 0.000000       12.94156 
1 1 1 10 12 21  o 33.45948 15.58577 -0.1001807     0.1756370     0.000000       0.000000      -0.1001807     0.1756370     ?        ?        33.45948 15.58577 0.000000       15.58577 
1 1 1 10 12 22  o 43.60541 17.41414 0.1185934      0.1582733     0.3599925      0.2111315     -0.1911030     0.2391406     63.15436 20.84636 36.26221 17.27946 26.89215       27.07675 
1 1 1 10 12 23  o ?        ?        -0.4001833     0.6823246E-01 0.000000       0.000000      -0.4001833     0.6823246E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 24  o 40.95753 18.39314 0.3637517E-02  0.2165721     0.000000       0.000000      0.3637517E-02  0.2165721     ?        ?        40.95753 18.39314 0.000000       18.39314 
1 1 1 10 12 25  o 22.62420 11.10713 -0.2104029     0.1194197     0.000000       0.000000      -0.2104029     0.1194197     ?        ?        22.62420 11.10713 0.000000       11.10713 
1 1 1 10 12 26  o 36.68483 16.04613 0.2266291E-01  0.1544864     -0.2100775E-01 0.2241952     0.6214570E-01  0.2131746     40.20597 18.31693 43.06808 18.84342 -2.862106      26.27897 
1 1 1 10 12 27  o 22.80157 10.95891 -0.1247656     0.1007590     -0.2357732     0.1872847     -0.7954705E-01 0.1195321     29.78543 14.46560 27.44451 12.80858 2.340927       19.32132 
1 1 1 10 12 28  o 38.61334 16.65752 0.5080768E-01  0.1617668     0.1512908      0.2574777     -0.1472287E-01 0.2079289     48.88627 21.05241 38.91618 17.69472 9.970093       27.50104 
1 1 1 10 12 29  o 27.34955 12.11264 -0.9137135E-02 0.9060622E-01 -0.4788848     0.1807422     0.1485350      0.1047140     23.85080 12.00913 43.12035 14.68691 -19.26955      18.97168 
1 1 1 10 12 30  o ?        ?        -0.2432630     0.4964538E-01 -0.4970118     0.9569900E-01 -0.1498301     0.5807046E-01 ?        ?        14.25184 7.123156 0.000000       7.123156 
1 1 1 10 12 31  o 41.80324 16.46214 0.1261528      0.1396181     0.2655800      0.1734152     -0.1307454     0.2353931     53.67071 18.87121 36.33504 17.26563 17.33567       25.57781 
1 1 1 10 12 32  o 28.84644 13.38740 -0.6165669E-01 0.1276981     -0.1086070     0.2112925     -0.3463934E-01 0.1602826     34.94669 16.53336 33.43705 15.32917 1.509640       22.54630 
1 1 1 10 12 33  o 29.21732 13.40718 -0.4062550E-01 0.1230032     -0.2147231     0.2024654     0.6122326E-01  0.1548575     30.98947 15.04807 37.74947 16.29135 -6.760002      22.17774 
1 1 1 10 12 34  o 35.13768 15.70311 0.1655658E-01  0.1558315     0.2613231      0.2471444     -0.1449728     0.2007707     51.51997 21.31176 32.59126 15.61223 18.92871       26.41842 
1 1 1 10 12 35  o 30.57499 13.91177 -0.2042763E-01 0.1288111     0.8351810E-01  0.1892569     -0.1101348     0.1758174     40.34314 17.70035 31.33733 14.89981 9.005814       23.13669 
1 1 1 10 12 36  o 47.13717 18.66066 0.2104253      0.1802821     0.1106807E-01  0.2652850     0.3815017      0.2457490     40.55626 18.97826 56.87645 21.99951 -16.32019      29.05430 
1 1 1 10 12 37  o 19.47068 9.581398 -0.1579948     0.9055817E-01 -0.9672838E-01 0.1488947     -0.1939629     0.1140845     28.86255 13.71978 21.66841 10.68051 7.194141       17.38694 
1 1 1 10 12 38  o 32.68076 14.68893 0.1794793E-01  0.1384534     0.6792635E-01  0.2148396     -0.1755298E-01 0.1810684     39.27469 17.90738 34.13955 15.87661 5.135143       23.93201 
1 1 1 10 12 39  o 40.22298 16.96131 0.1359038      0.1611022     -0.4114781E-01 0.2445733     0.2716064      0.2141179     36.36708 17.36950 48.33549 19.89996 -11.96840      26.41417 
1 1 1 10 12 40  o 38.49279 15.85453 0.1269870      0.1359840     0.3782246      0.1713535     -0.3003948     0.2234903     57.79466 18.76590 28.81805 14.33450 28.97661       23.61434 
1 1 1 10 12 41  o 38.95996 16.51260 0.1401465      0.1539438     0.2594293      0.2125162     0.8447396E-02  0.2233029     45.42839 19.33324 35.47148 16.84395 9.956913       25.64162 
1 1 1 10 12 42  o 40.07660 18.40184 0.1671123      0.2322198     0.000000       0.000000      0.1671123      0.2322198     ?        ?        40.07660 18.40184 0.000000       18.40184 
1 1 1 10 12 43  o 39.60868 18.37786 0.1902335      0.2404476     0.000000       0.000000      0.1902335      0.2404476     ?        ?        39.60868 18.37786 0.000000       18.37786 
1 1 1 10 12 44  o 24.74207 12.01221 -0.9518813E-01 0.1288552     0.000000       0.000000      -0.9518813E-01 0.1288552     ?        ?        24.74207 12.01221 0.000000       12.01221 
1 1 1 10 12 45  o 32.74049 15.68294 0.6334457E-01  0.2025371     0.000000       0.000000      0.6334457E-01  0.2025371     ?        ?        32.74049 15.68294 0.000000       15.68294 
1 1 1 10 12 46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 47  o 14.40254 7.248711 -0.1588170     0.6546083E-01 -0.1464707     0.1413327     -0.1621890     0.7386103E-01 22.83510 11.36511 15.57167 7.818520 7.263424       13.79475 
1 1 1 10 12 48  o 28.02932 13.87574 0.1458313E-01  0.1999899     0.1458313E-01  0.1999899     0.000000       0.000000      28.02932 13.87574 ?        ?        0.000000       13.87574 
1 1 1 10 12 49  o 25.46873 12.70228 -0.3262894E-01 0.1804115     -0.3262894E-01 0.1804115     0.000000       0.000000      25.46873 12.70228 ?        ?        0.000000       12.70228 
1 1 1 10 12 50  f 30.49531 14.71947 0.2430979      0.1864372     0.4113164      0.2744020     0.9885973E-01  0.2540918     30.89585 15.44829 26.94137 13.64469 3.954487       20.61134 
1 1 1 10 12 51  o 26.80253 12.72253 0.1338108      0.1271569     0.2052626      0.1576977     0.1013184E-02  0.2149877     28.22647 13.60229 23.88114 12.14173 4.345331       18.23304 
1 1 1 10 12 52  o 18.45212 9.141450 -0.4738605E-01 0.8740173E-01 0.2009443E-02  0.1122702     -0.1233770     0.1392521     21.03905 10.41189 19.43656 9.870851 1.602495       14.34717 
1 1 1 10 12 53  o 21.00401 10.57209 0.4131550E-01  0.1394089     0.1257256      0.2102039     -0.2496498E-01 0.1862672     22.04541 11.27670 20.47468 10.48404 1.570726       15.39737 
1 1 1 10 12 54  o 21.82224 11.09723 0.2340832      0.1802777     0.3160714      0.2606229     0.1588630      0.2496342     21.21937 10.93987 20.38533 10.51793 0.8340378      15.17589 
1 1 1 10 12 55  o 16.14302 8.225601 -0.5817163E-01 0.1028455     -0.1310191     0.1553168     -0.1290140E-02 0.1372449     16.53103 8.519074 17.53234 8.979105 -1.001308      12.37736 
1 1 1 10 12 56  o 17.65031 9.075025 0.1415114      0.1612551     0.1381897      0.2351140     0.1444618      0.2215851     17.19479 8.920350 17.26965 8.951224 -0.7485390E-01 12.63713 
1 1 1 10 12 57  o 14.73766 7.586318 -0.2682792E-01 0.1177118     -0.6897678E-01 0.1718189     0.1045222E-01  0.1615908     14.85327 7.703586 15.23049 7.886409 -0.3772221     11.02455 
1 1 1 10 12 58  o 12.28608 6.321327 -0.9899347E-01 0.8028203E-01 -0.1040920E-01 0.1554278     -0.1312272     0.9375748E-01 13.98487 7.255043 12.39455 6.397006 1.590313       9.672503 
1 1 1 10 12 59  o 13.42431 6.966850 0.8087140E-01  0.1477534     0.1553363      0.2193860     0.1905776E-01  0.1998827     13.44777 6.999403 13.15392 6.845057 0.2938480      9.790120 
1 1 1 10 12 60  o 12.09323 6.266835 -0.2546098E-01 0.1069955     -0.2236666     0.1655986     0.1165788      0.1401857     11.74071 6.110727 12.84283 6.667930 -1.102118      9.044460 
1 1 1 10 12 61  o 10.80031 5.603664 -0.1004777     0.9356798E-01 -0.3358210E-01 0.1522800     -0.1410526     0.1185969     11.47942 5.973686 10.92341 5.679351 0.5560131      8.242570 
1 1 1 10 12 62  o 10.84622 5.643555 0.4182695E-01  0.1335892     -0.9011586E-01 0.2022003     0.1440307      0.1779600     10.63311 5.537468 10.99756 5.727032 -0.3644533     7.966332 
1 1 1 10 12 63  o 9.359874 4.848416 -0.4859183E-01 0.6249726E-01 -0.9142199E-01 0.8103761E-01 0.1427134E-01  0.9817704E-01 9.356451 4.861793 9.985416 5.191154 -0.6289654     7.112321 
1 1 1 10 12 64  o 9.025247 4.696998 -0.1185920E-01 0.9648952E-01 -0.6274530E-01 0.1193680     0.8407310E-01  0.1638969     8.941833 4.656586 9.202579 4.792133 -0.2607470     6.681941 
1 1 1 10 12 65  o 8.183850 4.261304 -0.1772841E-01 0.9429926E-01 -0.1027210     0.1169692     0.1400739      0.1593813     8.065141 4.200131 8.392768 4.368631 -0.3276272     6.060201 
1 1 1 10 12 66  o 7.424439 3.866488 -0.1192643E-01 0.9921747E-01 0.3285182E-01  0.1230536     -0.9512653E-01 0.1677347     7.492645 3.900628 7.400561 3.846254 0.9208393E-01  5.478008 
1 1 1 10 12 67  o 6.855125 3.563435 0.1803460      0.1389956     0.1929827      0.1706124     0.1554054      0.2396883     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 68  o 6.023825 3.132152 0.7625163E-02  0.1042041     0.3086529E-01  0.1292658     -0.3550353E-01 0.1760952     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 69  o ?        ?        -0.3435742E-01 0.9749825E-01 0.1012436      0.1207980     -0.2877880     0.1651421     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 70  o ?        ?        0.9830158E-01  0.9577946E-01 0.9949671E-01  0.1221626     0.9639478E-01  0.1543038     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 71  o ?        ?        0.9060153E-01  0.9391683E-01 0.7886294E-01  0.1209317     0.1084404      0.1490789     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 72  o ?        ?        -0.4020566E-01 0.7280358E-01 -0.4691048E-01 0.9057697E-01 -0.2796735E-01 0.1223729     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 73  o ?        ?        -0.4262246E-01 0.8481234E-01 -0.1048519     0.1151429     0.3118527E-01  0.1253978     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 74  o ?        ?        0.3824473E-01  0.9896152E-01 0.9048935E-01  0.1356905     -0.2112169E-01 0.1446436     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 75  o ?        ?        -0.3742408E-01 0.1127865     -0.3742408E-01 0.1127865     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 10 12 76  o ?        ?        -0.1412699     0.1008882     -0.1412699     0.1008882     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 3   o 42.28031 19.15191 0.1056912      0.2407437     0.000000       0.000000      0.1056912      0.2407437     ?        ?        42.28031 19.15191 0.000000       19.15191 
1 1 1 10 13 4   o ?        ?        -0.2640645     0.5285771E-01 0.000000       0.000000      -0.2640645     0.5285771E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 5   o 44.04367 19.57918 0.1542652      0.2388928     0.1542652      0.2388928     0.000000       0.000000      44.04367 19.57918 ?        ?        0.000000       19.57918 
1 1 1 10 13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 12  o 46.30761 20.20675 0.2362352      0.2436846     0.000000       0.000000      0.2362352      0.2436846     ?        ?        46.30761 20.20675 0.000000       20.20675 
1 1 1 10 13 13  o 41.52003 18.78367 0.1331965      0.2307295     0.000000       0.000000      0.1331965      0.2307295     ?        ?        41.52003 18.78367 0.000000       18.78367 
1 1 1 10 13 14  f 29.08386 13.85983 -0.8270383E-01 0.1539092     0.000000       0.000000      -0.8270383E-01 0.1539092     ?        ?        29.08386 13.85983 0.000000       13.85983 
1 1 1 10 13 15  o 25.65558 12.41646 -0.1280346     0.1348953     0.000000       0.000000      -0.1280346     0.1348953     ?        ?        25.65558 12.41646 0.000000       12.41646 
1 1 1 10 13 16  o 25.65042 12.40993 -0.1238878     0.1344790     0.000000       0.000000      -0.1238878     0.1344790     ?        ?        25.65042 12.40993 0.000000       12.40993 
1 1 1 10 13 17  o 38.58980 17.87150 0.9213053E-01  0.2258206     0.000000       0.000000      0.9213053E-01  0.2258206     ?        ?        38.58980 17.87150 0.000000       17.87150 
1 1 1 10 13 18  o 37.42117 17.43324 0.7679835E-01  0.2198474     0.000000       0.000000      0.7679835E-01  0.2198474     ?        ?        37.42117 17.43324 0.000000       17.43324 
1 1 1 10 13 19  o 42.29600 19.43331 0.2146612      0.2595475     0.000000       0.000000      0.2146612      0.2595475     ?        ?        42.29600 19.43331 0.000000       19.43331 
1 1 1 10 13 20  f 33.59223 15.93075 0.4245140E-02  0.1984757     0.000000       0.000000      0.4245140E-02  0.1984757     ?        ?        33.59223 15.93075 0.000000       15.93075 
1 1 1 10 13 21  o 18.64531 9.217491 -0.1489455     0.8715095E-01 0.000000       0.000000      -0.1489455     0.8715095E-01 ?        ?        18.64531 9.217491 0.000000       9.217491 
1 1 1 10 13 22  o 23.36164 11.40854 -0.1261427     0.1210276     0.000000       0.000000      -0.1261427     0.1210276     ?        ?        23.36164 11.40854 0.000000       11.40854 
1 1 1 10 13 23  o 35.95376 16.97403 0.1053044      0.2205957     0.000000       0.000000      0.1053044      0.2205957     ?        ?        35.95376 16.97403 0.000000       16.97403 
1 1 1 10 13 24  o 36.31141 17.20661 0.1365349      0.2306390     0.000000       0.000000      0.1365349      0.2306390     ?        ?        36.31141 17.20661 0.000000       17.20661 
1 1 1 10 13 25  o 25.81209 12.30443 -0.4026174E-01 0.1214970     -0.8489712E-01 0.1704680     0.5821264E-02  0.1732103     27.67574 13.52058 30.46542 14.56926 -2.789675      19.87635 
1 1 1 10 13 26  o 31.18890 15.07390 0.1996223E-01  0.1971272     0.000000       0.000000      0.1996223E-01  0.1971272     ?        ?        31.18890 15.07390 0.000000       15.07390 
1 1 1 10 13 27  o 26.25489 12.58078 -0.2742157E-01 0.1305958     -0.1006447     0.1934124     0.3393723E-01  0.1770511     27.56086 13.64415 30.37435 14.57950 -2.813488      19.96809 
1 1 1 10 13 28  o 26.62057 12.73241 -0.9853638E-02 0.1323871     -0.2682044E-01 0.1860743     0.7538944E-02  0.1883946     28.44875 13.94599 29.38442 14.32412 -0.9356728     19.99178 
1 1 1 10 13 29  o 19.04441 9.543374 -0.1852735     0.1074132     0.000000       0.000000      -0.1852735     0.1074132     ?        ?        19.04441 9.543374 0.000000       9.543374 
1 1 1 10 13 30  o 31.16812 15.28825 0.1252784      0.2246846     0.000000       0.000000      0.1252784      0.2246846     ?        ?        31.16812 15.28825 0.000000       15.28825 
1 1 1 10 13 31  o 28.04282 13.89900 0.3427212E-01  0.2028733     0.000000       0.000000      0.3427212E-01  0.2028733     ?        ?        28.04282 13.89900 0.000000       13.89900 
1 1 1 10 13 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 34  o 27.25457 13.77065 0.1664361      0.2495991     0.1664361      0.2495991     0.000000       0.000000      27.25457 13.77065 ?        ?        0.000000       13.77065 
1 1 1 10 13 35  o 26.05020 13.15805 0.1609805      0.2268442     0.1609805      0.2268442     0.000000       0.000000      26.05020 13.15805 ?        ?        0.000000       13.15805 
1 1 1 10 13 36  o 24.96848 12.44528 0.1344925      0.1720858     0.1700848      0.2496375     0.1022650      0.2375446     24.79307 12.64928 24.15663 12.32588 0.6364479      17.66158 
1 1 1 10 13 37  o 21.31862 10.67022 0.1456300E-01  0.1324153     -0.4626222E-01 0.1799181     0.8644541E-01  0.1955890     21.08391 10.75522 22.80611 11.59373 -1.722200      15.81421 
1 1 1 10 13 38  o 19.09492 9.638179 -0.3996225E-01 0.1204610     0.2990016E-02  0.1745112     -0.7905536E-01 0.1664870     20.61982 10.52509 19.57364 10.01424 1.046185       14.52799 
1 1 1 10 13 39  o 16.26832 8.268079 -0.1099184     0.9902443E-01 -0.2172508     0.1434052     -0.1209679E-01 0.1369043     16.78008 8.623428 19.06316 9.691844 -2.283075      12.97287 
1 1 1 10 13 40  o 19.70441 9.938119 0.9515828E-01  0.1266855     0.1734958E-01  0.2250490     0.1312521      0.1532778     18.73956 9.680652 19.93740 10.14783 -1.197844      14.02475 
1 1 1 10 13 41  o 12.87304 6.611680 -0.1883696     0.8073550E-01 0.6882080E-01  0.1261896     -0.3666066     0.1050498     18.11416 9.218642 12.62994 6.527495 5.484219       11.29564 
1 1 1 10 13 42  o 18.14359 9.349685 0.2404134      0.1867426     0.2887716      0.2719040     0.1972380      0.2569205     17.58989 9.135458 17.36102 9.013997 0.2288742      12.83389 
1 1 1 10 13 43  f 15.07461 7.760697 -0.3040543E-01 0.1237825     -0.3847021E-01 0.1891953     -0.2436963E-01 0.1636747     15.40458 7.991869 15.37788 7.961955 0.2669430E-01  11.28108 
1 1 1 10 13 44  f 13.55851 6.991237 -0.9433836E-01 0.1071387     -0.5081384E-01 0.1668831     -0.1248555     0.1397389     14.48300 7.513565 13.86775 7.185590 0.6152430      10.39646 
1 1 1 10 13 45  o 11.74852 6.054540 -0.1264409     0.7848940E-01 0.1034131E-01  0.9629676E-01 -0.3971764     0.1354782     13.71695 7.050282 11.82688 6.147707 1.890070       9.354185 
1 1 1 10 13 46  o 11.45789 5.913610 -0.1141519     0.8014332E-01 -0.4822489E-01 0.1024221     -0.2182612     0.1287082     12.51348 6.466489 11.90316 6.183849 0.6103258      8.947372 
1 1 1 10 13 47  f 12.46448 6.469704 -0.2179353E-02 0.1290068     0.2105276      0.1845735     -0.2053420     0.1803850     13.10356 6.815794 12.02739 6.260652 1.076174       9.254773 
1 1 1 10 13 48  o 11.62111 6.036363 -0.3321691E-01 0.1207387     -0.4312539E-01 0.1830555     -0.2558707E-01 0.1606338     11.74693 6.116027 11.75399 6.116711 -0.7067680E-02 8.649852 
1 1 1 10 13 49  o 11.66192 6.071462 0.1896686      0.1786159     0.3206547      0.2600615     0.7270478E-01  0.2457477     11.60570 6.043406 11.36875 5.920275 0.2369528      8.460048 
1 1 1 10 13 50  o 10.80861 5.627285 0.9955747E-01  0.1545491     0.6412376E-01  0.2295361     0.1289431      0.2090309     10.67388 5.557950 10.76244 5.604989 -0.8855724E-01 7.893460 
1 1 1 10 13 51  o 10.32867 5.376864 0.1580486      0.1356420     0.2206256      0.2527470     0.1327346      0.1607530     10.12290 5.267468 10.17927 5.301156 -0.5636883E-01 7.473184 
1 1 1 10 13 52  o 9.066051 4.720640 -0.6292042E-01 0.1153785     0.9378174E-01  0.1849143     -0.1628218     0.1476450     9.343386 4.864590 8.991068 4.682465 0.3523178      6.752015 
1 1 1 10 13 53  o 8.444641 4.397690 -0.4544383E-01 0.1079742     -0.1091861     0.1716578     -0.3713348E-02 0.1388918     8.468101 4.407048 8.555432 4.455363 -0.8733177E-01 6.266764 
1 1 1 10 13 54  o 7.819090 4.071750 -0.1792986E-01 0.1140320     -0.1358373     0.1789570     0.6266947E-01  0.1479598     7.772704 4.040406 7.917467 4.120808 -0.1447630     5.771130 
1 1 1 10 13 55  o 7.265092 3.781563 -0.1822678E-01 0.1210746     0.1139072E-02  0.1862675     -0.3239517E-01 0.1593231     ?        ?        7.271025 3.779375 0.000000       3.779375 
1 1 1 10 13 56  o 6.504533 3.386557 -0.6972554E-01 0.8915991E-01 -0.6166217E-01 0.1169791     -0.8090319E-01 0.1377291     6.562653 3.413257 6.569078 3.413188 -0.6425858E-02 4.827026 
1 1 1 10 13 57  o 5.982680 3.113190 -0.4629481E-01 0.8678558E-01 -0.2780187E-01 0.1067781     -0.8228718E-01 0.1489651     6.021708 3.130373 ?        ?        0.000000       3.130373 
1 1 1 10 13 58  f ?        ?        0.3904568E-01  0.1092414     -0.5253704E-01 0.1368477     0.1999206      0.1813739     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 59  o ?        ?        0.1080433      0.1524278     -0.1950294E-02 0.2231921     0.2041898      0.2086709     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 60  o 4.124549 2.145454 -0.1215323     0.4557421E-01 -0.3086414     0.9094060E-01 -0.5878146E-01 0.5266474E-01 ?        ?        4.245941 2.207276 0.000000       2.207276 
1 1 1 10 13 61  o ?        ?        0.3708879E-01  0.1415804     0.1983203      0.2094226     -0.9863192E-01 0.1921417     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 62  o ?        ?        -0.1064580     0.9846105E-01 -0.2100509E-01 0.1490588     -0.1726057     0.1311449     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 63  o ?        ?        0.3293886E-01  0.1105267     0.2473724E-01  0.2068007     0.3621843E-01  0.1307708     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 64  o ?        ?        -0.1077112     0.8754893E-01 -0.1070360     0.1482172     -0.1080729     0.1084995     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 65  o ?        ?        0.9906954E-01  0.1545925     0.1384384      0.2296463     0.6644418E-01  0.2090551     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 13 66  o ?        ?        0.2147460E-01  0.2040661     0.2147460E-01  0.2040661     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 5   o 15.29131 7.818882 -0.1822882     0.1001953     -0.1822882     0.1001953     0.000000       0.000000      15.29131 7.818882 ?        ?        0.000000       7.818882 
1 1 1 10 14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 22  o 14.67138 7.628177 0.7304877E-01  0.2150426     0.000000       0.000000      0.7304877E-01  0.2150426     ?        ?        14.67138 7.628177 0.000000       7.628177 
1 1 1 10 14 23  o 13.06869 6.763494 -0.9804826E-01 0.1157541     0.000000       0.000000      -0.9804826E-01 0.1157541     ?        ?        13.06869 6.763494 0.000000       6.763494 
1 1 1 10 14 24  o 13.09384 6.797578 -0.8995087E-01 0.1445016     0.000000       0.000000      -0.8995087E-01 0.1445016     ?        ?        13.09384 6.797578 0.000000       6.797578 
1 1 1 10 14 25  o 13.01030 6.764502 -0.4320760E-01 0.1693506     0.000000       0.000000      -0.4320760E-01 0.1693506     ?        ?        13.01030 6.764502 0.000000       6.764502 
1 1 1 10 14 26  o 13.32920 6.941622 0.3868973      0.3026632     0.000000       0.000000      0.3868973      0.3026632     ?        ?        13.32920 6.941622 0.000000       6.941622 
1 1 1 10 14 27  o 12.64763 6.584230 0.3931234E-01  0.2041734     0.000000       0.000000      0.3931234E-01  0.2041734     ?        ?        12.64763 6.584230 0.000000       6.584230 
1 1 1 10 14 28  o 12.59220 6.536265 0.1045500      0.1321162     0.1325057      0.1637151     0.5235052E-01  0.2237107     12.54417 6.523873 12.25643 6.382516 0.2877398      9.126742 
1 1 1 10 14 29  o 12.00447 6.243876 0.7816328E-01  0.1538591     -0.7651516E-01 0.2148591     0.2409620      0.2204269     11.67973 6.082616 12.17078 6.337855 -0.4910545     8.784454 
1 1 1 10 14 30  o 11.41256 5.942633 -0.2110195E-01 0.1841791     0.000000       0.000000      -0.2110195E-01 0.1841791     ?        ?        11.41256 5.942633 0.000000       5.942633 
1 1 1 10 14 31  o 8.589658 4.459305 -0.2241567     0.6223627E-01 0.000000       0.000000      -0.2241567     0.6223627E-01 ?        ?        8.589658 4.459305 0.000000       4.459305 
1 1 1 10 14 32  o 10.63004 5.536058 0.2238635E-01  0.1816383     0.000000       0.000000      0.2238635E-01  0.1816383     ?        ?        10.63004 5.536058 0.000000       5.536058 
1 1 1 10 14 33  o 10.34857 5.387232 0.1809541      0.2343512     0.000000       0.000000      0.1809541      0.2343512     ?        ?        10.34857 5.387232 0.000000       5.387232 
1 1 1 10 14 34  o 9.855927 5.130550 0.8570174E-01  0.2140305     0.000000       0.000000      0.8570174E-01  0.2140305     ?        ?        9.855927 5.130550 0.000000       5.130550 
1 1 1 10 14 35  o 9.282804 4.832092 0.3249609E-01  0.1939177     0.000000       0.000000      0.3249609E-01  0.1939177     ?        ?        9.282804 4.832092 0.000000       4.832092 
1 1 1 10 14 36  o 8.832791 4.593839 0.8055434E-01  0.2129038     0.000000       0.000000      0.8055434E-01  0.2129038     ?        ?        8.832791 4.593839 0.000000       4.593839 
1 1 1 10 14 37  o ?        ?        0.1562879      0.2358403     0.000000       0.000000      0.1562879      0.2358403     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 38  o 7.841896 4.083949 0.2669307E-01  0.1139495     0.2781932E-01  0.1413601     0.2460342E-01  0.1925513     7.834960 4.078032 7.827656 4.067283 0.7304192E-02  5.759612 
1 1 1 10 14 39  o 6.754154 3.516580 -0.1478478     0.6060806E-01 -0.8539768E-01 0.7541580E-01 -0.2617390     0.1018452     7.132881 3.714316 6.986651 3.637565 0.1462297      5.198848 
1 1 1 10 14 40  o 7.035487 3.656007 0.9033087E-01  0.1545987     -0.4399370E-01 0.2230690     0.2144830      0.2144562     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 41  o 6.360610 3.309313 -0.1114013     0.1025864     0.3727859E-01  0.1541659     -0.2295531     0.1374303     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 42  o ?        ?        0.5782552E-01  0.1497732     0.6068186E-01  0.2191196     0.5532083E-01  0.2051885     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 43  o ?        ?        0.1339049      0.1349067     0.1721614      0.2425125     0.1167608      0.1623446     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 44  o ?        ?        0.1019785      0.1521723     -0.2403616     0.2261963     0.3850142      0.2056730     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 45  o ?        ?        0.1114509      0.1566841     -0.4650644E-01 0.2348432     0.2381717      0.2103449     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 46  o ?        ?        0.1023935      0.1610107     0.1488655      0.2434959     0.6628582E-01  0.2146325     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 47  o ?        ?        -0.6783263E-01 0.1142381     -0.4279469E-01 0.1794134     -0.8490544E-01 0.1481522     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 48  o ?        ?        0.1507786      0.1698353     0.4019707E-01  0.2525971     0.2420116      0.2294368     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 49  o ?        ?        0.2451702E-01  0.1341301     0.4641020E-01  0.1905994     0.3037411E-02  0.1887906     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 50  o ?        ?        0.1740050      0.1403914     0.1732033      0.1718895     0.1756116      0.2433187     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 51  o ?        ?        0.7800545E-01  0.1548962     0.2087327E-03  0.2246992     0.1484500      0.2138181     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 52  o ?        ?        0.6300896E-01  0.1563391     0.3420033      0.2309227     -0.1730837     0.2124272     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 53  o ?        ?        -0.2813253     0.5875286E-01 0.000000       0.000000      -0.2813253     0.5875286E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 14 54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 4   o ?        ?        -0.2086501     0.5409750E-01 0.000000       0.000000      -0.2086501     0.5409750E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 14  o 5.837259 3.033386 -0.9663314E-01 0.1060643     0.000000       0.000000      -0.9663314E-01 0.1060643     ?        ?        5.837259 3.033386 0.000000       3.033386 
1 1 1 10 15 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 24  o ?        ?        0.1936092E-01  0.1733030     0.000000       0.000000      0.1936092E-01  0.1733030     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 25  o ?        ?        -0.2096054     0.6074159E-01 0.000000       0.000000      -0.2096054     0.6074159E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 26  o ?        ?        -0.5858032E-01 0.1612948     0.000000       0.000000      -0.5858032E-01 0.1612948     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 27  o ?        ?        -0.6110414E-01 0.1588925     0.000000       0.000000      -0.6110414E-01 0.1588925     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 28  o ?        ?        -0.8447606E-01 0.1531404     0.000000       0.000000      -0.8447606E-01 0.1531404     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 29  o ?        ?        0.4673461E-01  0.2085426     0.000000       0.000000      0.4673461E-01  0.2085426     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 30  o ?        ?        -0.9531521E-01 0.1485517     0.000000       0.000000      -0.9531521E-01 0.1485517     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 31  o ?        ?        0.1196412E-01  0.1429451     0.3595269      0.2053272     -0.3149197     0.1991253     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 32  o ?        ?        -0.2468520E-01 0.1805740     0.000000       0.000000      -0.2468520E-01 0.1805740     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 33  o ?        ?        0.4980356E-01  0.2128835     0.000000       0.000000      0.4980356E-01  0.2128835     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 34  o ?        ?        -0.2818345     0.6209428E-01 0.000000       0.000000      -0.2818345     0.6209428E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 35  o ?        ?        -0.8239816E-01 0.1376947     0.000000       0.000000      -0.8239816E-01 0.1376947     ?        ?        ?        ?        0.000000       ?        
1 1 1 10 15 36  o ?        ?        -0.4046585     0.5914149E-01 0.000000       0.000000      -0.4046585     0.5914149E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 0  1   o 204.6069 24.49456 3.083975       0.6658059     3.083975       0.6658059     0.000000       0.000000      204.6069 24.49456 204.6069 24.49456 0.000000       0.000000 
1 1 1 11 0  2   o 72.27325 27.95162 0.5035876      0.2649528     0.5035876      0.2649528     0.000000       0.000000      72.27325 27.95162 72.27325 27.95162 0.000000       0.000000 
1 1 1 11 0  3   o 110.6149 28.35075 1.016938       0.3743154     1.016938       0.3743154     0.000000       0.000000      110.6149 28.35075 110.6149 28.35075 0.000000       0.000000 
1 1 1 11 0  4   o 141.9045 26.38372 1.561120       0.4644923     1.561120       0.4644923     0.000000       0.000000      141.9045 26.38372 141.9045 26.38372 0.000000       0.000000 
1 1 1 11 0  5   o 87.57546 29.01258 0.6943090      0.3120212     0.6943090      0.3120212     0.000000       0.000000      87.57546 29.01258 87.57546 29.01258 0.000000       0.000000 
1 1 1 11 0  6   o 153.9918 25.71975 1.809113       0.5010281     1.809113       0.5010281     0.000000       0.000000      153.9918 25.71975 153.9918 25.71975 0.000000       0.000000 
1 1 1 11 0  7   o 108.0666 28.78172 0.9818729      0.3710954     0.9818729      0.3710954     0.000000       0.000000      108.0666 28.78172 108.0666 28.78172 0.000000       0.000000 
1 1 1 11 0  8   o 45.69611 23.35133 0.2166377      0.1861098     0.2166377      0.1861098     0.000000       0.000000      45.69611 23.35133 45.69611 23.35133 0.000000       0.000000 
1 1 1 11 0  9   o 56.88161 26.15750 0.3337332      0.2252411     0.3337332      0.2252411     0.000000       0.000000      56.88161 26.15750 56.88161 26.15750 0.000000       0.000000 
1 1 1 11 0  10  o 120.5203 28.22165 1.180955       0.4081782     1.180955       0.4081782     0.000000       0.000000      120.5203 28.22165 120.5203 28.22165 0.000000       0.000000 
1 1 1 11 0  11  o 43.63421 22.86761 0.1958190      0.1815699     0.1958190      0.1815699     0.000000       0.000000      43.63421 22.86761 43.63421 22.86761 0.000000       0.000000 
1 1 1 11 0  12  o 53.69307 25.61962 0.3000458      0.2175713     0.3000458      0.2175713     0.000000       0.000000      53.69307 25.61962 53.69307 25.61962 0.000000       0.000000 
1 1 1 11 0  13  o 120.2656 17.75468 1.074814       0.2759770     1.518457       0.3954407     0.6535529      0.3853364     142.3257 21.59393 80.00542 34.19049 0.000000       0.000000 
1 1 1 11 0  14  o 109.1847 28.41359 0.9963626      0.3701740     0.000000       0.000000      0.9963626      0.3701740     109.1847 28.41359 109.1847 28.41359 0.000000       0.000000 
1 1 1 11 0  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 0  16  o 142.2630 16.91695 1.473626       0.3199234     1.148919       0.4547608     1.791787       0.4501545     115.0358 33.01883 154.8329 22.42340 0.000000       0.000000 
1 1 1 11 0  17  o 141.4195 11.51571 1.416782       0.2214430     1.163153       0.3135380     1.669216       0.3127986     124.3758 19.74714 152.4424 15.20723 0.000000       0.000000 
1 1 1 11 0  18  o 98.20908 12.06527 0.6999347      0.1569975     0.5705544      0.2238518     0.8251831      0.2202481     82.16792 22.80878 105.1358 16.34891 0.000000       0.000000 
1 1 1 11 0  19  o 78.96289 12.89082 0.4665074      0.1293049     0.4286829      0.1849380     0.5026821      0.1808597     69.84586 21.85592 78.68684 19.21486 0.000000       0.000000 
1 1 1 11 0  20  o 77.86104 13.07829 0.4554445      0.1286873     0.4677150      0.1845163     0.4438235      0.1795672     74.43401 20.75086 72.11748 20.78930 0.000000       0.000000 
1 1 1 11 0  21  o 215.9411 11.43932 3.268076       0.3389073     3.170157       0.4812444     3.364419       0.4773540     210.8238 16.77567 217.5704 16.09156 0.000000       0.000000 
1 1 1 11 0  22  o 203.4490 11.41903 2.904072       0.3184803     2.995432       0.4532334     2.814962       0.4476175     205.0110 16.24521 198.4832 16.59933 0.000000       0.000000 
1 1 1 11 0  23  o 95.99343 12.27447 0.6714435      0.1554225     0.8082886      0.2231243     0.5424593      0.2166210     103.6390 16.95437 79.75784 22.70058 0.000000       0.000000 
1 1 1 11 0  24  o 71.60033 13.91283 0.3944676      0.1226405     0.4454651      0.1769080     0.3472819      0.1701681     72.51532 20.40807 61.10037 22.01794 0.000000       0.000000 
1 1 1 11 0  25  o 179.8743 11.49364 2.277137       0.2828002     2.269310       0.4024254     2.284773       0.3974998     177.6624 16.74595 178.4025 16.45807 0.000000       0.000000 
1 1 1 11 0  26  o 125.6667 11.78563 1.126999       0.2003745     1.082570       0.2857129     1.170001       0.2810883     120.1918 18.52458 125.9504 17.04108 0.000000       0.000000 
1 1 1 11 0  27  o 246.0600 13.30178 4.258339       0.4489304     4.084107       0.7811697     4.344260       0.5485658     235.6468 24.62285 247.4600 16.21377 0.000000       0.000000 
1 1 1 11 0  28  o 192.1201 16.64390 2.644554       0.4339124     3.032638       0.6209938     2.274312       0.6065506     202.9961 22.90557 172.1195 27.66420 0.000000       0.000000 
1 1 1 11 0  29  o 126.3099 14.07114 1.153833       0.2376240     1.024382       0.2923021     1.406097       0.4080445     115.8676 20.07692 134.8599 24.24145 0.000000       0.000000 
1 1 1 11 0  30  o 260.0819 11.57881 4.734480       0.4139506     5.484391       0.5965105     4.037884       0.5749156     278.5765 15.61957 237.7451 17.73982 0.000000       0.000000 
1 1 1 11 0  31  o 305.8710 11.62437 6.538879       0.4893498     6.126822       0.6929060     6.948894       0.6911874     293.8643 17.21126 313.6638 16.05454 0.000000       0.000000 
1 1 1 11 0  32  o 351.4594 11.70388 8.626441       0.5665656     8.770422       0.8080238     8.487193       0.7946336     352.3334 16.69398 346.5606 16.69371 0.000000       0.000000 
1 1 1 11 0  33  o 355.8970 13.56791 8.879969       0.6645687     8.377960       1.154847      9.128522       0.8126004     339.4852 24.94532 359.5963 16.44360 0.000000       0.000000 
1 1 1 11 0  34  o 178.4988 13.52562 2.261339       0.3289717     2.276654       0.5755467     2.253908       0.4009184     173.1820 25.74136 176.9104 16.75757 0.000000       0.000000 
1 1 1 11 0  35  f 96.51615 15.71552 0.7004218      0.1927763     0.7913156      0.2386456     0.5297279      0.3270358     101.2673 19.03209 71.36102 31.54296 0.000000       0.000000 
1 1 1 11 0  36  o 164.0942 11.83015 1.903583       0.2648521     2.119466       0.3788278     1.697167       0.3704282     171.5851 16.32883 152.1407 18.33894 0.000000       0.000000 
1 1 1 11 0  37  o 163.4618 11.89710 1.889796       0.2652625     2.059051       0.3790751     1.727395       0.3713207     168.9187 16.62146 153.6041 18.17644 0.000000       0.000000 
1 1 1 11 0  38  o 337.2997 11.73504 7.950912       0.5450609     8.769491       0.7822669     7.178503       0.7598854     352.4522 16.15097 318.0650 17.42138 0.000000       0.000000 
1 1 1 11 0  39  o 300.9592 11.70510 6.335661       0.4847593     6.774580       0.6925250     5.913982       0.6787879     309.4133 16.31263 288.5276 17.17700 0.000000       0.000000 
1 1 1 11 0  40  o 597.5644 12.54774 24.93335       1.034322      22.71847       1.426912      27.38563       1.501436      566.7789 18.27551 623.0505 17.48316 0.000000       0.000000 
1 1 1 11 0  41  o 398.8479 11.86565 11.11155       0.6521780     10.73420       0.9199558     11.49280       0.9247003     389.5224 17.18002 403.4076 16.66506 0.000000       0.000000 
1 1 1 11 0  42  o 304.7683 11.71545 6.498145       0.4913684     6.101029       0.6932079     6.899161       0.6966044     292.9745 17.27290 312.2166 16.25884 0.000000       0.000000 
1 1 1 11 0  43  o 140.6085 12.12484 1.407954       0.2313833     1.346077       0.3293119     1.468286       0.3251780     134.5130 18.77704 141.4786 17.34321 0.000000       0.000000 
1 1 1 11 0  44  o 144.4798 12.20164 1.485564       0.2394297     1.799048       0.3427722     1.186876       0.3345858     157.7263 16.12469 124.4951 21.34751 0.000000       0.000000 
1 1 1 11 0  45  o 246.8227 11.76241 4.273172       0.3988095     4.880449       0.5721643     3.699353       0.5561789     262.2642 15.93425 227.0052 18.00407 0.000000       0.000000 
1 1 1 11 0  46  o 306.0191 11.76640 6.554029       0.4955301     6.763981       0.7060470     6.350222       0.6956396     308.8356 16.66741 299.0109 16.97353 0.000000       0.000000 
1 1 1 11 0  47  o 356.8039 13.73427 8.940241       0.6743875     10.34870       1.197853      8.286641       0.8159964     378.4059 23.12270 341.6884 17.39791 0.000000       0.000000 
1 1 1 11 0  48  o 491.6131 17.40816 17.09232       1.178358      15.95670       1.649772      18.27504       1.683645      468.3935 25.68444 502.7530 24.38334 0.000000       0.000000 
1 1 1 11 0  49  o 272.9751 13.71554 5.249308       0.5140026     5.766854       0.6366358     4.280290       0.8711298     285.0815 16.29454 238.8527 27.33954 0.000000       0.000000 
1 1 1 11 0  50  o 218.4889 11.87277 3.356768       0.3557776     2.953270       0.5025660     3.762133       0.5037271     202.1238 18.35490 229.7779 16.05636 0.000000       0.000000 
1 1 1 11 0  51  o 170.3611 12.08676 2.053957       0.2810393     2.060269       0.3996783     2.047784       0.3952577     168.3157 17.64029 167.8634 17.48691 0.000000       0.000000 
1 1 1 11 0  52  o 172.6814 12.09887 2.109929       0.2852358     1.760178       0.4028575     2.461515       0.4039131     154.0465 19.84437 185.1281 16.07982 0.000000       0.000000 
1 1 1 11 0  53  o 88.93295 17.74271 0.6167940      0.1933978     0.4973496      0.3353366     0.6763234      0.2367355     68.04416 31.88076 91.10643 21.68328 0.000000       0.000000 
1 1 1 11 0  54  o 136.4086 18.80284 1.386429       0.3349987     1.570411       0.4745911     1.203730       0.4729326     140.5162 27.46148 116.3123 33.91471 0.000000       0.000000 
1 1 1 11 0  55  o 228.9772 13.94732 3.713367       0.4372342     3.479125       0.5340225     4.189728       0.7615444     219.7441 17.87161 238.0575 23.70663 0.000000       0.000000 
1 1 1 11 0  56  o 88.44980 15.40174 0.5952950      0.1710228     0.5847626      0.2423705     0.6057395      0.2413582     81.42035 24.70076 83.65089 24.09230 0.000000       0.000000 
1 1 1 11 0  57  o 145.8139 12.64500 1.519618       0.2501937     1.758652       0.3567357     1.288222       0.3509890     155.0570 17.20301 129.6686 21.34037 0.000000       0.000000 
1 1 1 11 0  58  o 148.0614 12.70324 1.567334       0.2553152     1.467453       0.3620619     1.666127       0.3600866     139.6148 19.96353 150.2608 18.04370 0.000000       0.000000 
1 1 1 11 0  59  o 152.4523 12.64171 1.660365       0.2619101     1.854808       0.3733832     1.472021       0.3674810     158.9976 17.55313 139.5211 20.33596 0.000000       0.000000 
1 1 1 11 0  60  o 88.56635 15.95985 0.6026502      0.1763459     0.6331310      0.2516940     0.5732601      0.2471497     85.05604 24.69191 79.38683 25.54228 0.000000       0.000000 
1 1 1 11 0  61  o 26.89527 16.22869 0.5235449E-01  0.1100595     -0.3732970E-01 0.1580540     0.1367775      0.1533479     25.39597 16.87736 36.85585 20.45327 0.000000       0.000000 
1 1 1 11 0  62  o 53.50136 20.60613 0.2779342      0.1442373     0.2531768      0.2066137     0.3014694      0.2014490     48.26337 24.61723 53.12159 24.72209 0.000000       0.000000 
1 1 1 11 0  63  o 191.3676 12.55838 2.609074       0.3285699     3.047772       0.4720929     2.196929       0.4575828     204.5611 16.98276 171.1044 20.09270 0.000000       0.000000 
1 1 1 11 0  64  o 208.2840 12.50370 3.088791       0.3566428     3.245123       0.5100433     2.939226       0.4988802     210.3216 17.85868 199.5462 18.46939 0.000000       0.000000 
1 1 1 11 0  65  o 286.5655 12.27592 5.823110       0.4837256     5.956675       0.6907935     5.694604       0.6775806     285.8899 17.65316 279.4039 17.72625 0.000000       0.000000 
1 1 1 11 0  66  o 177.9845 12.92599 2.277015       0.3138253     2.270785       0.4495557     2.282937       0.4382908     173.5857 19.37342 174.5263 18.73228 0.000000       0.000000 
1 1 1 11 0  67  o 81.18243 22.06348 0.5723423      0.2137967     0.9902716      0.3795038     0.3780352      0.2587671     103.0375 30.64935 57.66827 27.89225 0.000000       0.000000 
1 1 1 11 0  68  o 173.7015 18.92213 2.281035       0.4401875     2.810708       0.6393789     1.803766       0.6069264     186.7654 26.29026 138.0507 36.84719 0.000000       0.000000 
1 1 1 11 0  69  o 144.9722 16.09359 1.570166       0.3120112     1.734658       0.3907276     1.280679       0.5183401     149.8847 19.84986 110.7780 37.77157 0.000000       0.000000 
1 1 1 11 0  70  o 151.7195 13.60393 1.682819       0.2797295     1.997962       0.4031314     1.390181       0.3884704     161.9800 18.66815 130.1994 24.01394 0.000000       0.000000 
1 1 1 11 0  71  o 189.8372 12.98072 2.606208       0.3366130     2.463238       0.4796510     2.744954       0.4725146     178.9898 20.05292 190.7381 18.32949 0.000000       0.000000 
1 1 1 11 0  72  o 39.58493 21.10626 0.1734929      0.1567794     0.4934781      0.2292486     -0.1076559     0.2148868     70.21015 25.65073 26.75561 18.31716 0.000000       0.000000 
1 1 1 11 0  73  o 80.92139 23.60301 0.5941908      0.2289967     0.3722318      0.4232863     0.6860338      0.2722831     55.03236 32.49149 85.37331 26.38836 0.000000       0.000000 
1 1 1 11 0  74  o 99.80396 28.07708 0.9210542      0.3349680     0.6715463      0.4823634     1.153439       0.4655180     70.02705 37.11586 104.6330 35.85811 0.000000       0.000000 
1 1 1 11 0  75  o 117.7532 19.08798 1.095390       0.2859056     1.262262       0.3498907     0.7600918      0.4959715     124.1044 22.64988 74.60093 38.12063 0.000000       0.000000 
1 1 1 11 0  76  o 256.0691 12.78484 4.724322       0.4494835     5.036920       0.6429175     4.425442       0.6286540     259.0874 18.17643 241.6171 19.11816 0.000000       0.000000 
1 1 1 11 0  77  o 164.1945 13.83133 1.977526       0.3084693     1.859815       0.4369051     2.094525       0.4355809     152.5990 22.07898 164.1258 20.01499 0.000000       0.000000 
1 1 1 11 0  78  f 249.1045 12.94038 4.475787       0.4423669     3.631341       0.6188103     5.358346       0.6326209     216.3688 21.17787 268.4661 17.22808 0.000000       0.000000 
1 1 1 11 0  79  o 109.1723 16.53360 0.9208910      0.2323189     0.6445015      0.3229179     1.217435       0.3344844     76.26865 31.15048 122.3589 21.88055 0.000000       0.000000 
1 1 1 11 0  80  o 105.9980 16.76902 0.8737382      0.2270566     1.117335       0.3191107     0.6239510      0.3231402     116.6176 22.13862 74.31931 31.26937 0.000000       0.000000 
1 1 1 11 0  81  o 77.32367 21.09434 0.5264516      0.1947100     0.4814330      0.2715523     0.5740880      0.2793357     64.98617 28.74328 73.21263 28.79822 0.000000       0.000000 
1 1 1 11 0  82  o 92.16099 18.62955 0.6919931      0.2099961     0.7144577      0.2952967     0.6690090      0.2986912     84.80976 28.29389 80.12723 29.28091 0.000000       0.000000 
1 1 1 11 0  83  o 108.1573 16.33747 0.9093990      0.2275322     0.8317802      0.3214014     0.9873836      0.3221582     92.18245 28.79097 105.4834 25.51580 0.000000       0.000000 
1 1 1 11 0  84  o 77.73334 20.42952 0.5306571      0.1894606     0.6796716      0.2701895     0.3865088      0.2657413     83.32548 26.64098 55.76185 28.03515 0.000000       0.000000 
1 1 1 11 0  85  o 111.2554 15.79329 0.9631101      0.2285016     0.7144105      0.3259659     1.203398       0.3204061     79.27473 31.09079 120.3471 21.26121 0.000000       0.000000 
1 1 1 11 0  86  o 37.27460 21.06168 0.1606285      0.1662821     0.1409674      0.3038761     0.1690319      0.1986646     39.60394 25.22381 38.40660 22.45461 0.000000       0.000000 
1 1 1 11 0  87  o 136.7534 22.95611 1.617698       0.3967788     2.083277       0.5798334     1.207696       0.5441269     141.8709 34.13260 88.65015 40.66130 0.000000       0.000000 
1 1 1 11 0  88  o 36.58180 21.53302 0.1593148      0.1849158     0.3184052      0.2313672     -0.1220076     0.3076678     48.43098 25.69565 30.24374 21.00160 0.000000       0.000000 
1 1 1 11 0  89  o 142.9739 15.38004 1.617608       0.2947508     2.004380       0.4247220     1.258269       0.4093823     151.4074 21.58467 105.3883 32.19857 0.000000       0.000000 
1 1 1 11 0  90  o 81.83376 22.67867 0.6605695      0.2216564     0.6197928      0.3157690     0.7001798      0.3112194     63.47550 30.79577 70.83419 30.76111 0.000000       0.000000 
1 1 1 11 0  91  o 104.9236 18.82948 0.9829905      0.2466654     1.089206       0.3517885     0.8802658      0.3459596     94.06139 30.60607 77.03912 32.34923 0.000000       0.000000 
1 1 1 11 0  92  o 70.12315 26.98510 0.6502253      0.2474474     0.3169895      0.4241039     0.8222173      0.3046847     38.71286 26.29097 74.85310 30.20522 0.000000       0.000000 
1 1 1 11 0  93  o 27.78146 18.74852 0.6558478E-01  0.2090201     -0.1436791     0.2928375     0.2829326      0.2984402     25.28363 18.10252 36.19532 23.76073 0.000000       0.000000 
1 1 1 11 0  94  o 60.19588 27.24163 0.6404905      0.2438862     0.6482202      0.3010672     0.6257360      0.4159540     49.97533 28.29932 39.57653 26.63074 0.000000       0.000000 
1 1 1 11 0  95  o 22.84913 15.42463 0.5023745E-01  0.1416793     -0.5921768E-01 0.2022108     0.1557849      0.1985684     21.49570 15.33082 27.79182 18.60917 0.000000       0.000000 
1 1 1 11 0  96  o 22.55471 15.22841 0.7701751E-01  0.1382055     0.9883833E-01  0.1995125     0.5688684E-01  0.1916300     23.71458 16.56824 22.50886 15.83308 0.000000       0.000000 
1 1 1 11 0  97  o 22.24261 15.11643 0.1160743      0.1407165     0.9116372E-01  0.2035170     0.1388912      0.1947770     21.22228 15.17715 22.34791 15.76902 0.000000       0.000000 
1 1 1 11 0  98  o 18.06005 12.79069 0.6115102E-01  0.1321315     0.7209422E-01  0.1912554     0.5115857E-01  0.1827584     18.40718 13.37787 18.04234 13.10825 0.000000       0.000000 
1 1 1 11 0  99  o 14.42867 10.51787 -0.9072654E-02 0.1234702     0.7912193E-01  0.1792471     -0.8870234E-01 0.1703211     16.11784 11.84307 14.15647 10.48985 0.000000       0.000000 
1 1 1 11 0  100 o 14.63878 10.73144 0.1071627      0.1410203     0.7476511E-02  0.2033042     0.1996015      0.1957745     13.53093 10.10111 14.99441 11.11985 0.000000       0.000000 
1 1 1 11 0  101 o 13.42181 9.942626 0.1901007      0.1518461     0.7554198E-01  0.2190533     0.2960662      0.2106773     12.22174 9.129519 13.26501 9.919059 0.000000       0.000000 
1 1 1 11 0  102 o 12.47057 9.304379 0.3266893      0.1686385     0.2646085      0.2428500     0.3845045      0.2343583     11.39155 8.525225 11.79635 8.821299 0.000000       0.000000 
1 1 1 11 0  103 o 9.575902 7.149482 0.2176284E-01  0.1285732     -0.3174589E-01 0.1859873     0.7074106E-01  0.1779395     9.447718 7.074749 9.734548 7.285390 0.000000       0.000000 
1 1 1 11 0  104 o 8.646144 6.470475 0.9765371E-01  0.1395909     -0.5147493E-01 0.2027498     0.2320484      0.1924736     8.283802 6.208194 8.773345 6.573742 0.000000       0.000000 
1 1 1 11 0  105 o 7.510525 5.628104 0.1929696      0.1507987     0.1931659      0.2182292     0.1927902      0.2086185     7.339363 5.500243 7.352951 5.510591 0.000000       0.000000 
1 1 1 11 0  106 o 6.014301 4.507350 -0.4482000E-01 0.1376100     -0.2450628     0.2615655     0.3181500E-01  0.1618138     6.007086 4.496973 6.104977 4.574726 0.000000       0.000000 
1 1 1 11 0  107 o 5.162439 3.865396 0.1271095      0.1705198     -0.2086470     0.2108863     0.7612216      0.2898139     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 0  108 o 4.195673 3.140982 0.1215408E-01  0.1257943     -0.8915379E-01 0.1877242     0.9472017E-01  0.1694726     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 0  109 o ?        ?        0.3722738E-01  0.1343057     0.2339538      0.2002120     -0.1237281     0.1810971     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 0  110 o ?        ?        0.9505277E-01  0.1604339     0.3829702      0.2866959     -0.3621364E-01 0.1935817     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 0  111 o ?        ?        0.6902685E-01  0.1920323     0.2382274      0.2799985     -0.8124031E-01 0.2638681     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 0  112 o ?        ?        0.1246126      0.2835691     0.000000       0.000000      0.1246126      0.2835691     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 11 1  0   o 38.96909 20.74803 0.1540005      0.1512956     0.1540005      0.1512956     0.000000       0.000000      38.96909 20.74803 38.96909 20.74803 0.000000       0.000000 
1 1 1 11 1  1   o 96.06489 16.80283 0.6709939      0.2147700     0.7269965      0.3040855     0.6152518      0.3033771     98.48344 22.80958 90.45594 23.92206 8.027504       33.05363 
1 1 1 11 1  2   o 104.0672 11.44045 0.7653479      0.1616836     0.7682819      0.1865042     0.7564727      0.3243710     103.8515 13.31227 100.2481 23.79032 3.603317       27.26162 
1 1 1 11 1  3   o 132.8976 11.35866 1.242339       0.2064384     1.182373       0.2381421     1.423650       0.4140913     129.1180 13.55958 138.9782 22.33445 -9.860275      26.12833 
1 1 1 11 1  4   o 159.9089 10.08858 1.788674       0.2216199     1.741026       0.2860979     1.860161       0.3504341     156.9978 13.32302 161.5625 15.91490 -4.564697      20.75541 
1 1 1 11 1  5   o 107.8299 11.47385 0.8212479      0.1682142     0.8027319      0.2387535     0.8394987      0.2370374     105.2122 17.01491 107.8057 16.44403 -2.593475      23.66248 
1 1 1 11 1  6   o 126.6944 11.39545 1.130149       0.1972220     1.141758       0.2797164     1.118671       0.2781186     126.0526 16.46374 124.7232 16.55826 1.329369       23.35018 
1 1 1 11 1  7   o 105.6435 11.54384 0.7889156      0.1656550     0.9431834      0.2360781     0.6392812      0.2325058     114.7084 15.28510 93.19288 18.71807 21.51551       24.16610 
1 1 1 11 1  8   o 149.6665 11.38980 1.573790       0.2336183     1.704272       0.3325869     1.446704       0.3282287     154.5900 15.80282 141.9134 17.09395 12.67667       23.27944 
1 1 1 11 1  9   f 257.3615 11.40160 4.628130       0.4051793     4.536585       0.5762676     4.717634       0.5698071     252.6160 16.61325 257.8583 16.08346 -5.242279      23.12310 
1 1 1 11 1  10  o 167.5942 13.27306 1.982837       0.3046499     2.085105       0.3763063     1.788315       0.5189857     171.0131 16.12622 154.7939 25.14366 16.21916       29.87070 
1 1 1 11 1  11  o 140.7581 16.59958 1.421088       0.3164270     1.613160       0.4555585     1.242038       0.4398458     147.6980 23.09363 128.2283 25.73612 19.46968       34.57837 
1 1 1 11 1  12  o 99.44186 11.81895 0.7010843      0.1591098     0.8455357      0.2279719     0.5638908      0.2221709     108.3664 15.69192 87.31570 18.96958 21.05073       24.61872 
1 1 1 11 1  13  o 128.6398 11.56070 1.166021       0.2031586     1.238097       0.2904913     1.097019       0.2842302     131.3080 16.37759 123.2514 17.16702 8.056595       23.72618 
1 1 1 11 1  14  o 138.0850 13.29884 1.350657       0.2504348     1.205342       0.4345650     1.422915       0.3064373     126.1456 25.81810 140.9791 16.02642 -14.83347      30.38783 
1 1 1 11 1  15  o 146.4580 16.55111 1.538213       0.3288442     1.360272       0.4640594     1.717691       0.4660588     134.0825 26.00317 152.4703 22.84004 -18.38786      34.60972 
1 1 1 11 1  16  o 197.2531 13.30239 2.744974       0.3602031     2.646961       0.4416983     2.939567       0.6223673     192.4707 16.78776 200.1073 22.93829 -7.636566      28.42523 
1 1 1 11 1  17  f 119.6328 10.31590 1.005793       0.1687440     0.9127104      0.2687744     1.066355       0.2167965     111.9061 18.00447 122.5921 13.00576 -10.68605      22.21060 
1 1 1 11 1  18  o 95.61903 9.583737 0.6433182      0.1248336     0.7774620      0.1778289     0.5129901      0.1752815     104.5679 12.56761 83.88177 15.71054 20.68614       20.11880 
1 1 1 11 1  19  o 127.0203 9.372711 1.129929       0.1632291     1.145187       0.2320345     1.114980       0.2296652     126.9463 13.44163 125.2292 13.49479 1.717072       19.04696 
1 1 1 11 1  20  o 118.7256 9.427750 0.9882257      0.1532856     1.046798       0.2178639     0.9308061      0.2157092     121.3540 13.21512 114.1545 13.97674 7.199570       19.23509 
1 1 1 11 1  21  o 121.7895 9.416988 1.039694       0.1571347     1.048391       0.2228340     1.031092       0.2216149     121.3479 13.52907 120.3178 13.57666 1.030151       19.16668 
1 1 1 11 1  22  o 101.5186 8.808511 0.7227575      0.1222531     0.7203043      0.1618601     0.7260155      0.1865384     100.7156 11.86646 100.6427 13.78526 0.7287598E-01  18.18918 
1 1 1 11 1  23  o 135.2158 8.668904 1.277795       0.1610036     1.305243       0.2133899     1.241518       0.2453221     136.0568 11.46520 132.0958 13.64627 3.960999       17.82335 
1 1 1 11 1  24  o 207.6937 8.595407 3.002681       0.2465062     2.867175       0.3257748     3.184191       0.3770421     201.9190 11.73490 212.4240 12.91560 -10.50496      17.45052 
1 1 1 11 1  25  o 187.7056 9.301779 2.456282       0.2410911     2.457006       0.3414835     2.455563       0.3404277     186.3310 13.36101 186.2894 13.32215 0.4159546E-01  18.86786 
1 1 1 11 1  26  o 160.6597 8.643879 1.802324       0.1910528     1.784534       0.2923180     1.815590       0.2524288     158.5990 13.47565 160.5745 11.46003 -1.975494      17.68970 
1 1 1 11 1  27  o 93.17445 8.389453 0.6090102      0.1067791     0.6826672      0.1518335     0.5369328      0.1501966     98.06965 11.42654 86.45058 12.98328 11.61906       17.29542 
1 1 1 11 1  28  o 188.2198 8.615141 2.467060       0.2239060     2.513556       0.3426827     2.432422       0.2957728     188.4489 13.25359 185.9104 11.57918 2.538559       17.59929 
1 1 1 11 1  29  o 244.4374 9.369038 4.167912       0.3162283     4.296581       0.4483052     4.040488       0.4461314     246.6045 13.21347 238.9695 13.57620 7.635086       18.94489 
1 1 1 11 1  30  o 271.4518 8.692362 5.133089       0.3258131     5.028108       0.4303166     5.274121       0.4987618     267.7175 11.64054 273.5677 13.20354 -5.850220      17.60215 
1 1 1 11 1  31  o 226.0296 8.091438 3.555001       0.2525394     3.451695       0.3568020     3.658705       0.3574881     221.4850 11.70821 228.4474 11.33280 -6.962448      16.29462 
1 1 1 11 1  32  o 349.5123 8.811935 8.513307       0.4252768     8.588676       0.5635125     8.413577       0.6482065     349.8317 11.66558 345.2450 13.59715 4.586639       17.91559 
1 1 1 11 1  33  o 418.5256 10.61705 12.25953       0.6135696     11.62662       0.9634076     12.69143       0.7958435     403.0785 17.30942 424.0027 13.59318 -20.92419      22.00887 
1 1 1 11 1  34  f 298.1645 9.466631 6.205396       0.3897529     6.218242       0.6762221     6.199005       0.4769427     294.6934 16.68659 297.1921 11.62227 -2.498718      20.33518 
1 1 1 11 1  35  o 265.4504 8.743616 4.910769       0.3204885     5.092382       0.4258914     4.673656       0.4866369     269.4173 11.44815 256.8512 13.77117 12.56610       17.90825 
1 1 1 11 1  36  o 282.5826 8.779676 5.565986       0.3425800     5.673852       0.4543495     5.423863       0.5215312     284.3138 11.57322 277.1025 13.63019 7.211212       17.88075 
1 1 1 11 1  37  o 288.8819 8.232191 5.810612       0.3283778     5.538527       0.4630225     6.085951       0.4657824     280.7336 11.94455 294.4885 11.45452 -13.75485      16.54926 
1 1 1 11 1  38  o 370.2820 8.323631 9.548928       0.4255821     9.436266       0.6015923     9.661795       0.6021360     366.4424 11.88936 370.8669 11.75814 -4.424530      16.72157 
1 1 1 11 1  39  o 266.4792 8.201966 4.944655       0.3018000     4.661731       0.4252951     5.231645       0.4283405     257.5151 11.96051 273.0410 11.36118 -15.52588      16.49637 
1 1 1 11 1  40  o 288.5818 8.240544 5.799912       0.3283696     5.953961       0.4655440     5.647387       0.4632340     291.1638 11.57938 283.4614 11.83501 7.702393       16.55746 
1 1 1 11 1  41  o 449.2676 8.507775 14.06630       0.5277875     14.06992       0.7461760     14.06268       0.7466326     447.2131 12.08339 447.0906 12.09410 0.1224976      17.09607 
1 1 1 11 1  42  o 384.0866 8.387861 10.27903       0.4448549     10.18912       0.6279414     10.36961       0.6303049     380.6183 11.94790 384.0107 11.88692 -3.392303      16.85382 
1 1 1 11 1  43  o 520.6917 8.686384 18.90512       0.6245363     18.58985       0.8791113     19.22636       0.8874024     513.7117 12.39328 522.5109 12.29949 -8.799194      17.46056 
1 1 1 11 1  44  o 333.5677 8.344466 7.753285       0.3843443     7.616240       0.5422733     7.891624       0.5448256     329.0287 11.93566 335.0063 11.77786 -5.977539      16.76836 
1 1 1 11 1  45  o 279.4113 8.866743 5.446979       0.3420946     5.336013       0.4524447     5.595090       0.5227181     275.4018 11.89764 281.2760 13.45851 -5.874176      17.96344 
1 1 1 11 1  46  o 150.1245 9.787902 1.582559       0.2017887     1.567570       0.2861444     1.597387       0.2846063     148.0653 14.16868 149.5591 13.94211 -1.493805      19.87798 
1 1 1 11 1  47  o 233.5983 9.580452 3.814538       0.3090251     3.877358       0.5356169     3.783193       0.3783463     232.0072 16.83376 231.5875 11.87131 0.4197235      20.59863 
1 1 1 11 1  48  o 237.3113 9.666152 3.937991       0.3167452     4.254399       0.4493108     3.625400       0.4465923     244.9301 13.33539 225.5401 14.41538 19.38994       19.63761 
1 1 1 11 1  49  o 305.2926 8.960099 6.506279       0.3777175     6.157479       0.4965849     6.985116       0.5818331     295.6320 12.16478 314.1966 13.41093 -18.56461      18.10621 
1 1 1 11 1  50  o 222.2627 8.347215 3.443870       0.2561806     3.459256       0.3630293     3.428607       0.3615634     221.3515 11.92134 220.3644 11.92681 0.9871063      16.86319 
1 1 1 11 1  51  o 267.5495 8.353374 4.990962       0.3086058     4.827987       0.4360580     5.154501       0.4368120     261.7589 12.06438 270.6328 11.68897 -8.873871      16.79825 
1 1 1 11 1  52  o 165.9850 9.126353 1.930612       0.2083689     1.889583       0.2767467     1.984315       0.3166176     163.2051 12.37238 166.7014 13.88109 -3.496307      18.59464 
1 1 1 11 1  53  o 121.9165 11.39490 1.054424       0.1896032     0.8569947      0.3039346     1.180205       0.2425956     106.2425 21.45671 128.2332 13.92453 -21.99072      25.57895 
1 1 1 11 1  54  o 166.5710 9.996591 1.951306       0.2288631     1.757949       0.3997701     2.045571       0.2791307     154.3439 19.17073 169.8948 11.97507 -15.55086      22.60352 
1 1 1 11 1  55  o 243.5811 8.992673 4.148206       0.3024616     4.020713       0.4009734     4.316517       0.4607123     238.2571 12.22918 246.1548 13.60733 -7.897705      18.29514 
1 1 1 11 1  56  o 224.9530 8.451182 3.534290       0.2625108     3.290598       0.3717305     3.776716       0.3707640     215.2338 12.56234 231.0732 11.65770 -15.83937      17.13809 
1 1 1 11 1  57  o 122.5909 9.099966 1.057705       0.1529417     0.9308276      0.2178694     1.180974       0.2147489     113.3869 14.22874 128.6245 12.23874 -15.23760      18.76816 
1 1 1 11 1  58  o 109.8328 9.292173 0.8514331      0.1396029     0.6820855      0.1991590     1.015019       0.1957419     96.29339 15.50476 119.1506 12.06359 -22.85723      19.64504 
1 1 1 11 1  59  o 81.64098 10.35691 0.4765686      0.1141293     0.4564062      0.1639913     0.4955066      0.1589338     78.23633 15.72554 81.98646 14.57296 -3.750130      21.43977 
1 1 1 11 1  60  o 91.05141 10.04726 0.5908119      0.1242162     0.6018092      0.1790067     0.5805984      0.1725098     90.31223 14.87219 88.78002 14.57831 1.532211       20.82568 
1 1 1 11 1  61  o 87.98489 10.37763 0.5540932      0.1236535     0.5441632      0.1781236     0.5633298      0.1717930     85.34599 15.69301 87.21605 14.79364 -1.870056      21.56669 
1 1 1 11 1  62  o 139.0719 9.150939 1.367319       0.1747473     1.207335       0.2493230     1.521795       0.2449938     128.4908 14.29477 145.4100 12.31753 -16.91924      18.86960 
1 1 1 11 1  63  o 171.4205 8.883060 2.074808       0.2095421     1.843978       0.2976630     2.301571       0.2950290     159.1694 13.67621 178.9595 12.00871 -19.79013      18.20022 
1 1 1 11 1  64  o 64.38551 12.64219 0.3079437      0.1083838     0.2725961      0.1557545     0.3411293      0.1509157     59.60616 17.66434 66.59980 16.49631 -6.993641      24.16934 
1 1 1 11 1  65  o 36.87752 13.85019 0.7830842E-01  0.9559172E-01 0.5604234E-01  0.1292240     0.1052176      0.1420600     38.33232 15.58278 43.42565 16.74613 -5.093323      22.87479 
1 1 1 11 1  66  o 61.96930 14.09382 0.2918993      0.1178756     0.4041918      0.1591194     0.1553250      0.1754818     72.24841 16.33340 49.50248 18.72734 22.74593       24.84941 
1 1 1 11 1  67  o 85.08128 13.03175 0.5386285      0.1482232     0.5492967      0.2507012     0.5328951      0.1837859     81.26389 21.86308 82.85130 16.64257 -1.587410      27.47671 
1 1 1 11 1  68  o 155.3378 11.75182 1.758131       0.2502044     1.596444       0.3893405     1.871881       0.3265645     140.7166 20.65215 157.6153 15.19305 -16.89868      25.63864 
1 1 1 11 1  69  o 119.3225 10.77396 1.033742       0.1756004     0.8108491      0.2329324     1.327183       0.2672657     101.8305 17.17706 132.5489 14.85827 -30.71838      22.71167 
1 1 1 11 1  70  o 92.74147 11.02503 0.6298064      0.1384198     0.6212613      0.1978237     0.6380032      0.1937501     89.00706 16.70959 90.61857 16.07268 -1.611504      23.18494 
1 1 1 11 1  71  o 91.46851 11.03550 0.6138200      0.1365647     0.5241658      0.1949318     0.7002370      0.1913805     80.70863 17.95483 95.55379 14.99870 -14.84516      23.39523 
1 1 1 11 1  72  o 48.63076 15.27938 0.1810471      0.1143297     0.1259882      0.1515351     0.2538050      0.1741963     44.98977 17.31067 56.61539 18.94460 -11.62563      25.66236 
1 1 1 11 1  73  o 83.12997 15.86287 0.5414478      0.1754429     0.1797987      0.2884881     0.7537003      0.2210094     55.48376 22.99445 97.61272 17.01569 -42.12896      28.60556 
1 1 1 11 1  74  o 116.9361 13.52554 1.030093       0.2143637     0.6386520      0.3500719     1.264921       0.2711430     81.91039 26.83372 127.9658 15.67258 -46.05538      31.07537 
1 1 1 11 1  75  o 137.7943 10.62638 1.383668       0.2006264     1.310616       0.2666592     1.478961       0.3045607     130.7465 15.04455 137.7918 16.32449 -7.045334      22.19972 
1 1 1 11 1  76  o 224.5836 9.068400 3.610201       0.2812203     3.161597       0.3961979     4.065700       0.3992307     204.7344 14.10067 234.5220 12.37206 -29.78758      18.75891 
1 1 1 11 1  77  o 102.4146 10.99486 0.7702306      0.1530520     0.7426410      0.2165567     0.7977647      0.2163399     96.90889 16.79178 101.0457 16.04134 -4.136833      23.22259 
1 1 1 11 1  78  f 174.2150 9.309301 2.181219       0.2231339     1.827086       0.3136548     2.544084       0.3174984     154.7891 14.85739 185.3477 12.47819 -30.55862      19.40225 
1 1 1 11 1  79  o 59.17942 14.59275 0.2740669      0.1184954     0.3123777      0.1660686     0.2343312      0.1691290     61.84594 18.21624 54.63428 18.66511 7.211658       26.08098 
1 1 1 11 1  80  o 88.59380 11.60004 0.5826839      0.1384971     0.4792646      0.1946962     0.6886230      0.1970539     76.20489 18.65350 93.85587 15.76384 -17.65098      24.42236 
1 1 1 11 1  81  o 48.60506 14.58129 0.1833735      0.1056506     0.1870460      0.1480343     0.1795609      0.1508300     49.73320 17.43848 49.15200 17.56566 0.5812035      24.75183 
1 1 1 11 1  82  o 40.97335 14.30271 0.1201372      0.9952915E-01 -0.1482848E-01 0.1395822     0.2597378      0.1419588     33.94854 15.03468 56.63721 16.88207 -22.68867      22.60632 
1 1 1 11 1  83  o 84.37611 11.71905 0.5347641      0.1328503     0.4246860      0.1873986     0.6459774      0.1883624     70.73222 18.84707 90.19933 15.69347 -19.46711      24.52543 
1 1 1 11 1  84  o 61.92987 13.64278 0.3021547      0.1135149     0.2237188      0.1598613     0.3819255      0.1612160     52.43878 18.13659 67.59829 17.22278 -15.15951      25.01120 
1 1 1 11 1  85  o 47.38696 14.83824 0.1801551      0.1079256     0.6563471E-01  0.1429658     0.3318878      0.1645623     38.63729 16.11434 61.91793 18.10391 -23.28063      24.23682 
1 1 1 11 1  86  o 58.38280 16.70272 0.2926183      0.1414542     0.3590095      0.2229325     0.2478741      0.1830151     61.36290 21.40654 53.33999 19.31362 8.022911       28.83151 
1 1 1 11 1  87  o 86.11028 15.36856 0.6179456      0.1760335     0.7261118      0.2765564     0.5442719      0.2282413     84.05500 23.10971 74.47231 21.18583 9.582687       31.35121 
1 1 1 11 1  88  o 45.43640 15.45216 0.1758152      0.1159087     0.2111723      0.1532898     0.1286107      0.1771198     48.63413 17.66559 43.07968 17.94902 5.554455       25.18413 
1 1 1 11 1  89  o 130.2027 10.54755 1.312824       0.1880017     1.228876       0.2668314     1.395578       0.2649280     116.5311 17.09065 126.8901 15.43851 -10.35901      23.03124 
1 1 1 11 1  90  o 96.92473 12.15984 0.7715028      0.1591602     0.5795486      0.2267542     0.9579121      0.2234551     71.03777 21.37326 101.9456 16.43254 -30.90785      26.96006 
1 1 1 11 1  91  o 89.05219 12.70587 0.6813807      0.1518080     0.8263515      0.2164539     0.5410438      0.2129664     89.79120 18.08337 66.33111 20.85574 23.46009       27.60381 
1 1 1 11 1  92  o 89.28786 15.52865 0.7863427      0.1845023     0.7768658      0.2619438     0.7956736      0.2599193     71.00878 23.20921 72.81690 23.05799 -1.808121      32.71603 
1 1 1 11 1  93  o 41.46719 16.53983 0.2211401      0.1426166     0.1575501      0.2323321     0.2595896      0.1806590     36.71431 17.35959 41.92939 17.83431 -5.215084      24.88811 
1 1 1 11 1  94  o 33.87164 14.47723 0.1391228      0.1201004     0.1694625      0.1755620     0.1124351      0.1646573     34.48487 15.89544 32.22874 15.03864 2.256134       21.88208 
1 1 1 11 1  95  o 37.54536 14.62020 0.2089905      0.1091014     0.2525319      0.1566909     0.1680165      0.1520013     35.85513 15.90178 31.99426 14.76245 3.860876       21.69785 
1 1 1 11 1  96  o 23.43940 11.02899 0.3503353E-01  0.9172269E-01 0.2229838E-01  0.1321578     0.4686893E-01  0.1274037     24.11028 11.80526 24.78015 12.01069 -0.6698723     16.84105 
1 1 1 11 1  97  o 21.01892 10.15633 0.2525441E-01  0.8935995E-01 0.6489238E-01  0.1286152     -0.1173625E-01 0.1242461     22.82223 11.26641 20.86581 10.42741 1.956423       15.35132 
1 1 1 11 1  98  o 16.16749 8.114669 -0.5480662E-01 0.7919739E-01 -0.1727618     0.1145491     0.5321088E-01  0.1096176     15.93319 8.163415 19.80284 9.880422 -3.869652      12.81655 
1 1 1 11 1  99  o 12.73346 6.513988 -0.1297316     0.7027418E-01 -0.2093091     0.1020921     -0.5807462E-01 0.9687820E-01 13.57620 6.992094 15.25613 7.791701 -1.679926      10.46900 
1 1 1 11 1  100 o 15.05203 7.683094 0.4860326E-01  0.9299164E-01 0.1506257      0.1337546     -0.4684721E-01 0.1293748     15.79441 8.128135 14.18580 7.328606 1.608606       10.94418 
1 1 1 11 1  101 o 14.06149 7.227931 0.1396881      0.1014576     0.1172429      0.1452987     0.1610451      0.1417331     13.33650 6.920978 13.58821 7.046225 -0.2517118     9.876700 
1 1 1 11 1  102 o 10.54680 5.460868 -0.8982816E-01 0.7720457E-01 0.8307348E-03  0.1110664     -0.1745905     0.1073937     11.50562 5.972738 10.61371 5.516344 0.8919048      8.130415 
1 1 1 11 1  103 o 9.480268 4.923261 -0.1077396     0.7838068E-01 -0.2066122     0.1126569     -0.1497504E-01 0.1091216     9.571905 4.982098 10.19746 5.303689 -0.6255550     7.276704 
1 1 1 11 1  104 o 9.267826 4.823206 0.1278478      0.1015197     0.1172092      0.1446608     0.1381716      0.1425046     9.062405 4.719701 9.101167 4.739806 -0.3876209E-01 6.688896 
1 1 1 11 1  105 o 7.645161 3.981340 0.4768672E-01  0.9996545E-01 0.2436635E-01  0.1312836     0.7986474E-01  0.1542135     7.589420 3.950392 7.630891 3.969412 -0.4147100E-01 5.600163 
1 1 1 11 1  106 o 6.365112 3.310587 -0.4937401E-01 0.1094895     -0.8524500E-01 0.1703056     -0.2410257E-01 0.1429461     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 1  107 o ?        ?        0.8873244E-01  0.1149587     0.4373435E-02  0.1633716     0.1714685      0.1617924     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 1  108 o ?        ?        -0.4080405E-01 0.8172733E-01 0.1849168E-01  0.1192897     -0.9325723E-01 0.1121960     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 1  109 o ?        ?        0.7504847E-01  0.9659604E-01 0.9771847E-01  0.1364709     0.5228753E-01  0.1367444     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 1  110 o ?        ?        -0.1941686E-01 0.9170718E-01 -0.9657414E-01 0.1225855     0.7865016E-01  0.1382013     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 1  111 o ?        ?        0.4127436E-01  0.1162018     0.2614972      0.1903189     -0.8961651E-01 0.1467254     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  0   o 349.5130 16.53626 8.599205       0.7939947     8.656546       1.123783      8.542048       1.121976      347.2077 23.69315 344.7987 23.82695 0.000000       0.000000 
1 1 1 11 2  1   o 288.7584 16.38578 5.921338       0.6506491     6.191672       0.9240746     5.655540       0.9162884     291.3375 23.16182 277.7359 24.13241 13.60159       33.44911 
1 1 1 11 2  2   o 247.0726 16.29366 4.338504       0.5527596     4.285190       0.7813725     4.391914       0.7820684     241.7649 23.71114 244.9577 23.40638 -3.192825      33.31782 
1 1 1 11 2  3   o 288.5220 13.27217 5.844089       0.5287603     5.005764       0.6386592     7.670968       0.9427960     264.8594 17.56251 325.8952 21.06356 -61.03577      27.42472 
1 1 1 11 2  4   o 287.9854 13.21624 5.821844       0.5255530     6.055837       0.6456085     5.362185       0.9048702     292.1628 16.06489 270.0882 24.53042 22.07455       29.32273 
1 1 1 11 2  5   o 339.6501 11.62337 8.068472       0.5451320     6.932328       0.7568005     9.293630       0.7858883     311.7708 17.65202 362.6118 15.69571 -50.84094      23.62095 
1 1 1 11 2  6   o 260.0661 11.42651 4.728776       0.4103319     5.515275       0.5866116     3.975255       0.5741819     279.1008 15.27931 235.7590 17.76836 43.34184       23.43441 
1 1 1 11 2  7   f 264.8933 11.44326 4.906368       0.4185609     4.614729       0.5889123     5.204071       0.5950038     254.5231 16.85194 270.7573 15.98571 -16.23419      23.22780 
1 1 1 11 2  8   o 278.3784 11.42571 5.418711       0.4391943     5.694793       0.6231807     5.146260       0.6190688     283.2544 15.99851 268.8676 16.75824 14.38672       23.16875 
1 1 1 11 2  9   o 313.3370 11.53515 6.867265       0.4990832     6.733769       0.7055740     7.000942       0.7060468     307.7073 16.66823 313.9435 16.34360 -6.236176      23.34402 
1 1 1 11 2  10  o 192.1478 11.46350 2.591031       0.3027668     2.637778       0.4291845     2.544721       0.4271763     192.3081 16.31646 188.7748 16.55518 3.533295       23.24437 
1 1 1 11 2  11  o 242.3161 13.45847 4.139237       0.4485417     3.739180       0.7710064     4.343904       0.5514679     224.5025 25.31317 247.1016 16.25313 -22.59914      30.08190 
1 1 1 11 2  12  o 411.5721 11.77023 11.85843       0.6689118     11.52341       0.9415792     12.19979       0.9504515     402.7603 16.93059 414.6371 16.60060 -11.87677      23.71128 
1 1 1 11 2  13  o 250.0795 10.30042 4.364505       0.3556894     4.540591       0.3990477     3.683739       0.7846240     254.7848 11.34262 222.2289 26.06454 32.55582       28.42561 
1 1 1 11 2  14  o 284.1848 10.26739 5.636261       0.4029015     5.763241       0.4515981     5.140904       0.8919604     287.0118 11.39500 263.7347 24.78361 23.27713       27.27770 
1 1 1 11 2  15  o 157.1284 9.323425 1.725864       0.2013822     1.808869       0.2468247     1.560589       0.3482887     160.4418 11.21171 147.0900 17.49111 13.35179       20.77598 
1 1 1 11 2  16  f 222.4073 10.22574 3.452746       0.3140376     3.056219       0.4033623     4.062992       0.5003923     207.7669 14.14404 239.2342 15.22699 -31.46736      20.78257 
1 1 1 11 2  17  o 260.6179 11.46252 4.754945       0.4124984     4.391510       0.5799388     5.127087       0.5868441     247.8690 17.04789 268.4890 15.90000 -20.61998      23.31182 
1 1 1 11 2  18  o 238.5855 10.23499 3.974602       0.3371859     4.005947       0.5332254     3.953718       0.4352576     236.9373 16.39905 236.6670 13.37372 0.2702484      21.16093 
1 1 1 11 2  19  o 331.6044 10.43675 7.682426       0.4778852     7.903543       0.7572422     7.536076       0.6160596     333.4401 16.44671 327.0680 13.64102 6.372040       21.36753 
1 1 1 11 2  20  o 385.1182 9.596648 10.34436       0.5103306     10.40883       0.7250000     10.28104       0.7184771     384.3298 13.66142 381.9858 13.62159 2.343964       19.29202 
1 1 1 11 2  21  o 415.2108 9.702745 12.02836       0.5562900     12.06861       0.7898269     11.98875       0.7836354     413.6831 13.82694 412.3523 13.76283 1.330811       19.50896 
1 1 1 11 2  22  o 296.0952 10.40845 6.127335       0.4255546     5.643317       0.6709461     6.453100       0.5504385     280.6399 17.39990 302.7643 13.16638 -22.12436      21.81994 
1 1 1 11 2  23  o 219.8726 9.400225 3.371522       0.2853957     3.439217       0.4068024     3.305911       0.4004923     220.5424 13.42223 216.1880 13.48326 4.354370       19.02510 
1 1 1 11 2  24  o 256.3727 9.453373 4.584659       0.3346545     4.539159       0.4760314     4.629121       0.4705618     253.3522 13.65779 255.9878 13.35881 -2.635651      19.10479 
1 1 1 11 2  25  o 307.6005 10.56806 6.617607       0.4488696     6.675431       0.7148836     6.579972       0.5767303     305.4044 17.01969 305.4031 13.67607 0.1281738E-02  21.83357 
1 1 1 11 2  26  f 383.2546 10.56124 10.27441       0.5589081     9.982753       0.8868169     10.46659       0.7198716     373.8024 17.18122 385.2206 13.53342 -11.41815      21.87116 
1 1 1 11 2  27  o 472.4691 9.874775 15.59019       0.6442265     15.49297       0.9133949     15.68643       0.9087705     468.1980 14.12834 471.2366 13.96617 -3.038605      19.86614 
1 1 1 11 2  28  o 389.0956 10.59923 10.59319       0.5694673     10.20354       0.7327912     11.18731       0.9048479     380.0200 13.96484 396.0982 16.54378 -16.07822      21.64979 
1 1 1 11 2  29  o 478.9965 10.85060 16.06598       0.7176690     16.11326       0.9285114     15.99582       1.131081      477.4129 14.08494 472.8407 17.32371 4.572266       22.32704 
1 1 1 11 2  30  o 315.5444 10.52325 6.966746       0.4585094     6.686612       0.5894356     7.395984       0.7296290     307.6312 13.87612 321.6548 16.48297 -14.02359      21.54611 
1 1 1 11 2  31  o 194.7552 9.475913 2.647447       0.2548285     2.915419       0.3633186     2.387968       0.3575155     203.0046 13.02998 183.2072 14.24433 19.79741       19.30496 
1 1 1 11 2  32  o 114.6291 9.746559 0.9241528      0.1528072     0.8602300      0.2147274     0.9897391      0.2175034     109.3158 14.58961 117.6610 13.64040 -8.345177      19.97291 
1 1 1 11 2  33  o 194.3495 9.458206 2.636639       0.2538226     2.672297       0.3581959     2.600675       0.3597276     194.1480 13.44407 191.4200 13.70028 2.728027       19.19481 
1 1 1 11 2  34  o 229.2448 8.724133 3.662732       0.2761593     3.757347       0.3669963     3.539221       0.4193068     231.3911 11.48622 223.4429 13.65580 7.948212       17.84416 
1 1 1 11 2  35  o 277.2461 8.216075 5.351811       0.3145342     5.835842       0.4479672     4.881155       0.4417352     288.4559 11.24680 263.4682 12.14216 24.98770       16.55060 
1 1 1 11 2  36  o 301.8248 8.236279 6.343422       0.3432606     6.394926       0.4855679     6.291972       0.4853197     301.7660 11.65311 299.2877 11.74360 2.478302       16.54409 
1 1 1 11 2  37  o 405.3023 8.406363 11.44346       0.4704627     11.17095       0.6627316     11.72029       0.6679688     398.5820 12.04154 408.3842 11.84539 -9.802185      16.89118 
1 1 1 11 2  38  o 302.7404 8.240256 6.383008       0.3444681     6.549061       0.4881433     6.218298       0.4861657     305.3684 11.57671 297.4425 11.83704 7.925903       16.55705 
1 1 1 11 2  39  o 142.5904 8.337081 1.421109       0.1634357     1.372697       0.2308889     1.469726       0.2313779     139.1826 12.13520 144.1715 11.72419 -4.988922      16.87363 
1 1 1 11 2  40  o 137.4102 8.422269 1.320507       0.1590324     1.544703       0.2258960     1.100199       0.2239285     147.9828 11.13666 124.1567 13.26715 23.82614       17.32173 
1 1 1 11 2  41  o 211.8385 8.213774 3.125861       0.2402624     3.289638       0.3404456     2.963355       0.3391228     216.1335 11.44823 204.8897 12.03958 11.24384       16.61365 
1 1 1 11 2  42  o 230.1057 8.801307 3.693303       0.2796485     3.673849       0.3696755     3.719329       0.4275789     228.2985 11.76682 228.9341 13.58677 -0.6355438     17.97383 
1 1 1 11 2  43  o 306.2808 9.599174 6.556595       0.4059678     6.851313       0.5755022     6.264683       0.5727580     311.2988 13.38849 297.3757 13.94851 13.92310       19.33423 
1 1 1 11 2  44  o 267.4185 8.828932 4.989233       0.3260151     5.146666       0.4982414     4.871362       0.4311184     269.7935 13.37428 263.1395 11.86513 6.654083       17.87883 
1 1 1 11 2  45  o 182.8599 8.321210 2.330301       0.2101082     2.534447       0.2982848     2.129265       0.2960040     189.5885 11.44783 173.3808 12.44682 16.20764       16.91083 
1 1 1 11 2  46  o 168.2319 9.062302 1.981478       0.2097395     2.429423       0.3228131     1.654242       0.2759114     185.1447 12.70390 152.4411 13.23927 32.70364       18.34850 
1 1 1 11 2  47  o 164.1842 9.781271 1.892036       0.2207450     1.991510       0.3108725     1.790869       0.3135054     167.2186 13.58089 158.1703 14.51629 9.048370       19.87871 
1 1 1 11 2  48  o 190.2282 8.971874 2.526339       0.2356655     2.708637       0.3115342     2.282465       0.3603276     195.9342 11.56610 178.5907 14.74351 17.34354       18.73889 
1 1 1 11 2  49  f 236.2587 8.311255 3.891196       0.2711393     3.951423       0.3839523     3.831283       0.3829473     236.9500 11.73499 232.9551 11.94516 3.994965       16.74505 
1 1 1 11 2  50  o 262.8910 8.912631 4.825814       0.3235337     4.840302       0.4280663     4.806511       0.4940961     262.1671 11.82483 259.9879 13.81279 2.179169       18.18295 
1 1 1 11 2  51  o 205.4362 9.734940 2.954176       0.2761521     2.955912       0.3926144     2.952477       0.3884943     203.5543 14.05454 203.5028 13.90868 0.5142212E-01  19.77325 
1 1 1 11 2  52  o 92.61197 11.06508 0.6110610      0.1386992     0.7252383      0.2477005     0.5589103      0.1674044     98.45773 18.90690 87.60268 14.33517 10.85506       23.72695 
1 1 1 11 2  53  o 112.0138 9.606655 0.8847436      0.1471496     0.9144029      0.2253532     0.8626981      0.1942873     112.3016 14.90039 109.6287 13.09368 2.672913       19.83598 
1 1 1 11 2  54  o 120.0883 9.537250 1.016133       0.1568452     1.063516       0.2101662     0.9565699      0.2356380     121.9603 12.66443 114.7110 15.25482 7.249245       19.82668 
1 1 1 11 2  55  o 187.4147 9.042591 2.457881       0.2340100     2.600607       0.3117782     2.273743       0.3541336     191.5251 11.84731 177.8519 14.54751 13.67322       18.76136 
1 1 1 11 2  56  o 149.3824 8.761322 1.566371       0.1799297     1.746381       0.2548992     1.387599       0.2540212     156.7189 11.86703 139.0313 13.39766 17.68765       17.89758 
1 1 1 11 2  57  o 120.6658 9.127511 1.026104       0.1509560     1.018123       0.2133474     1.034106       0.2136210     118.8895 13.21973 119.8668 13.12072 -0.9772339     18.62564 
1 1 1 11 2  58  o 105.2788 9.470119 0.7845673      0.1361953     0.8736477      0.1922321     0.6947845      0.1929885     110.0394 12.89598 97.28067 14.83662 12.75874       19.65787 
1 1 1 11 2  59  o 145.7725 8.882993 1.496780       0.1779491     1.437648       0.2504630     1.557055       0.2528703     141.2765 12.98446 147.2617 12.55562 -5.985245      18.06211 
1 1 1 11 2  60  o 113.3516 9.405308 0.9106098      0.1458806     1.081361       0.2059683     0.7387332      0.2066461     122.5044 12.34440 99.78572 15.50056 22.71867       19.81543 
1 1 1 11 2  61  o 83.14723 10.71624 0.4978790      0.1201713     0.4139918      0.1687164     0.5842609      0.1712067     73.60204 16.95068 88.80568 14.45936 -15.20364      22.28000 
1 1 1 11 2  62  o 171.4018 8.879361 2.075232       0.2094322     2.032850       0.2950972     2.118243       0.2972784     167.5908 12.84983 171.2026 12.66508 -3.611862      18.04224 
1 1 1 11 2  63  o 90.87280 11.19188 0.5980653      0.1374670     0.7091807      0.1821158     0.4509095      0.2095797     97.93143 13.85415 75.34882 19.86205 22.58261       24.21649 
1 1 1 11 2  64  o 138.5862 10.71163 1.379397       0.2033897     1.377192       0.2856596     1.381665       0.2896551     135.6758 15.52744 135.7532 15.74463 -0.7739258E-01 22.11323 
1 1 1 11 2  65  o 121.0600 10.41050 1.054250       0.1723317     1.164763       0.2619863     0.9699626      0.2287987     124.3298 15.60411 113.7303 14.93004 10.59949       21.59617 
1 1 1 11 2  66  o 154.7254 10.62862 1.724766       0.2257014     1.884953       0.3848928     1.640816       0.2786365     155.7845 18.23793 148.8701 13.70881 6.914444       22.81564 
1 1 1 11 2  67  o 150.7636 11.01882 1.646990       0.2277984     1.663416       0.3163712     1.629304       0.3282694     148.0176 15.71969 145.7328 16.60978 2.284729       22.86905 
1 1 1 11 2  68  o 254.3527 9.514162 4.622569       0.3341526     4.289778       0.4353286     5.099863       0.5213440     241.0967 13.12583 261.0703 14.51941 -19.97362      19.57296 
1 1 1 11 2  69  o 157.7012 9.412395 1.783442       0.2040273     1.568084       0.2842992     2.012142       0.2929727     144.2490 14.46831 164.8487 12.97564 -20.59967      19.43448 
1 1 1 11 2  70  o 167.3365 9.255658 2.007088       0.2130321     1.818792       0.2967328     2.207367       0.3060281     155.6930 13.95046 172.5518 12.93830 -16.85881      19.02669 
1 1 1 11 2  71  o 151.8382 10.20880 1.668555       0.2127955     1.657926       0.2789810     1.683342       0.3290575     148.6311 13.74914 147.3071 16.45879 1.324005       21.44599 
1 1 1 11 2  72  o 87.46729 15.28217 0.5934283      0.1778550     0.5593660      0.2803864     0.6163611      0.2300634     79.13660 23.75714 86.15724 19.75911 -7.020645      30.90023 
1 1 1 11 2  73  o 164.3470 12.16219 1.995048       0.2740418     1.548529       0.4328996     2.293642       0.3540038     132.3831 24.58704 173.4869 14.92281 -41.10376      28.76131 
1 1 1 11 2  74  o 108.2879 11.52951 0.8652844      0.1697452     0.8658390      0.2230555     0.8645216      0.2616487     105.5021 15.79736 102.8556 19.12665 2.646507       24.80696 
1 1 1 11 2  75  o 202.7298 9.136558 2.943252       0.2557633     2.884874       0.3591695     3.003307       0.3642928     196.4374 13.32023 200.5461 13.22955 -4.108688      18.77364 
1 1 1 11 2  76  f 201.3065 9.141768 2.901674       0.2541125     2.847401       0.3572613     2.957247       0.3615151     195.1705 13.33651 199.0333 13.22949 -3.862762      18.78515 
1 1 1 11 2  77  o 154.7589 9.586445 1.726411       0.2038488     1.731275       0.2868573     1.721449       0.2897357     151.5799 13.85857 150.9638 14.06098 0.6161499      19.74262 
1 1 1 11 2  78  o 145.9097 9.726075 1.537562       0.1948338     1.521722       0.2750240     1.553520       0.2760519     141.6776 14.25163 143.2582 14.13958 -1.580582      20.07577 
1 1 1 11 2  79  o 119.2697 10.30488 1.035859       0.1680446     1.104670       0.2372378     0.9665655      0.2380662     120.1990 14.59297 111.3481 15.93847 8.850914       21.60994 
1 1 1 11 2  80  o 103.1895 10.80716 0.7822927      0.1517030     0.9373678      0.2152039     0.6291155      0.2138829     110.5883 14.43751 87.74170 18.24823 22.84664       23.26885 
1 1 1 11 2  81  o 88.11337 11.66458 0.5795986      0.1384329     0.5186918      0.1961561     0.6400328      0.1953936     79.15921 18.31012 89.61392 16.39470 -10.45471      24.57737 
1 1 1 11 2  82  o 74.84283 12.68593 0.4280683      0.1264197     0.5419223      0.1800814     0.3174360      0.1775153     81.90583 16.49319 61.25089 19.00559 20.65495       25.16422 
1 1 1 11 2  83  o 123.1257 10.14309 1.114656       0.1709130     1.144646       0.2423896     1.085001       0.2410312     120.7692 14.84790 117.1717 15.25952 3.597496       21.29115 
1 1 1 11 2  84  o 106.0509 11.58820 0.8500829      0.1669330     0.7585202      0.2217891     0.9697401      0.2535423     95.14976 17.52664 107.6656 17.66735 -12.51587      24.88611 
1 1 1 11 2  85  f 87.99915 13.78714 0.6153669      0.1620270     0.7181523      0.2302675     0.5145689      0.2280303     90.04595 19.11087 73.48938 21.26058 16.55657       28.58737 
1 1 1 11 2  86  o 99.16834 13.10791 0.7798237      0.1750928     0.7760853      0.3068069     0.7816295      0.2132253     84.61951 24.71321 95.60447 16.76304 -10.98495      29.86205 
1 1 1 11 2  87  o 85.53559 14.63105 0.6113234      0.1665958     0.8907922      0.2383260     0.3442758      0.2329695     99.34643 18.03760 57.41598 21.61060 41.93045       28.14912 
1 1 1 11 2  88  o 61.42974 15.83587 0.3393097      0.1351799     0.2430636      0.1806072     0.4619113      0.2038410     49.99238 18.97817 66.47561 20.32328 -16.48323      27.80659 
1 1 1 11 2  89  o 93.28017 12.31541 0.7162519      0.1547481     0.7158272      0.2216910     0.7166554      0.2161095     83.44976 19.57690 84.42822 18.99674 -0.9784622     27.27877 
1 1 1 11 2  90  o 73.18502 15.64189 0.5069677      0.1532766     0.4910345      0.2060560     0.5267053      0.2293406     63.50523 20.57512 63.33302 21.73355 0.1722069      29.92796 
1 1 1 11 2  91  o 80.24989 16.57368 0.6608422      0.1775735     0.4449601      0.2548157     0.8646607      0.2475936     51.64291 21.52386 81.63407 21.62166 -29.99116      30.50857 
1 1 1 11 2  92  o 61.46496 17.81252 0.4656920      0.1599404     0.6334521      0.2809623     0.3852657      0.1945372     53.24901 22.42373 49.13880 19.40614 4.110210       29.65505 
1 1 1 11 2  93  o 51.75079 17.70445 0.3944390      0.1521695     0.4571422      0.2214231     0.3383208      0.2094740     45.48566 19.55484 40.89545 18.24636 4.590210       26.74549 
1 1 1 11 2  94  o 39.42472 15.49806 0.2455774      0.1235396     0.2368996      0.1668419     0.2561103      0.1838110     35.05625 15.90519 35.00709 16.18105 0.4916382E-01  22.68924 
1 1 1 11 2  95  o 21.64100 10.41716 -0.1055406E-01 0.9188284E-01 -0.4492980E-01 0.1327200     0.2108691E-01  0.1273313     22.65908 11.23265 24.32625 11.84032 -1.667173      16.32071 
1 1 1 11 2  96  o 21.32593 10.30962 0.2409155E-01  0.9235584E-01 0.7952809E-01  0.1343293     -0.2560503E-01 0.1271850     23.58620 11.61875 20.91990 10.46872 2.666302       15.63935 
1 1 1 11 2  97  o 20.44256 9.994953 0.5845794E-01  0.9371942E-01 -0.1451441E-02 0.1351576     0.1139399      0.1300675     19.36403 9.822659 21.56973 10.76210 -2.205702      14.57077 
1 1 1 11 2  98  o 19.64334 9.743096 0.1343131      0.1003850     0.3411742E-01  0.1446188     0.2274795      0.1394537     17.32974 8.898167 19.92333 10.09235 -2.593582      13.45485 
1 1 1 11 2  99  o 13.14272 6.735658 -0.7259126E-01 0.7863098E-01 -0.8058348E-01 0.1139066     -0.6531573E-01 0.1086795     13.95673 7.197081 14.01025 7.215565 -0.5352020E-01 10.19129 
1 1 1 11 2  100 o 13.56509 6.971215 0.5575865E-01  0.9361468E-01 -0.1222907E-01 0.1339787     0.1206168      0.1308587     13.01510 6.751560 13.80507 7.146786 -0.7899694     9.831588 
1 1 1 11 2  101 o 11.47556 5.928417 -0.1716773E-01 0.8462806E-01 0.4826282E-01  0.1226867     -0.7655936E-01 0.1168880     11.96392 6.212066 11.35233 5.897614 0.6115952      8.565723 
1 1 1 11 2  102 o 9.150935 4.748949 -0.1430081     0.6849293E-01 -0.3011797     0.9942500E-01 -0.1469194E-03 0.9449055E-01 9.200272 4.787947 10.43226 5.417365 -1.231990      7.229957 
1 1 1 11 2  103 o 8.335745 4.335696 -0.1495943     0.7428469E-01 -0.1819635     0.9969216E-01 -0.1091853     0.1113868     8.591698 4.473343 8.874777 4.621185 -0.2830791     6.431652 
1 1 1 11 2  104 o 7.938334 4.134102 0.4332225E-01  0.9720697E-01 0.1350749E-01  0.1316161     0.7910331E-01  0.1441849     7.868020 4.096356 7.936130 4.130916 -0.6811047E-01 5.817612 
1 1 1 11 2  105 o 6.751793 3.513970 0.7097765E-01  0.1084612     -0.9842613E-01 0.1981332     0.1434631      0.1296049     ?        ?        6.789964 3.530857 0.000000       3.530857 
1 1 1 11 2  106 o ?        ?        0.1510880      0.1195253     0.1394356      0.1718054     0.1620178      0.1663931     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  107 o ?        ?        -0.4312294E-01 0.8830363E-01 0.3784740E-02  0.1181577     -0.1024645     0.1328983     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  108 o ?        ?        -0.4729639E-01 0.8168934E-01 0.4660238E-01  0.1184349     -0.1325055     0.1128217     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  109 o ?        ?        0.1104700      0.1066658     0.1566865      0.1442117     0.5464562E-01  0.1584944     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  110 o ?        ?        0.1726846E-01  0.1075719     0.1162285      0.1693888     -0.4961711E-01 0.1392582     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 2  111 o ?        ?        -0.2649746     0.9428001E-01 -0.2649746     0.9428001E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  0   o 158.4019 16.88190 1.815262       0.3586914     1.726723       0.5060534     1.904654       0.5084878     148.9467 27.31885 158.2426 25.18158 0.000000       0.000000 
1 1 1 11 3  1   o 204.4765 13.29163 2.952300       0.3732462     2.947049       0.4550811     2.963092       0.6524000     203.1432 16.36237 199.9296 24.11906 3.213623       29.14543 
1 1 1 11 3  2   o 172.8763 16.68686 2.141993       0.3933848     1.705926       0.5482890     2.604612       0.5647357     149.4112 27.59237 188.3157 22.14074 -38.90446      35.37727 
1 1 1 11 3  3   o 174.9347 16.68158 2.192938       0.3980675     2.064282       0.5567512     2.327490       0.5693656     165.9910 25.07197 177.0231 23.90421 -11.03201      34.64123 
1 1 1 11 3  4   o 219.7188 13.34953 3.407920       0.4030962     3.249902       0.4895721     3.740533       0.7102852     213.1983 16.76535 225.4520 23.14440 -12.25372      28.57867 
1 1 1 11 3  5   o 144.5319 13.42941 1.481816       0.2649502     1.714734       0.3232903     1.005374       0.4623766     154.9734 15.30774 113.4900 29.30295 41.48345       33.06040 
1 1 1 11 3  6   o 155.9503 16.49872 1.745515       0.3498881     1.745515       0.3498881     0.000000       0.000000      155.9503 16.49872 ?        ?        0.000000       16.49872 
1 1 1 11 3  7   o 158.2979 16.51383 1.798416       0.3556476     1.798416       0.3556476     0.000000       0.000000      158.2979 16.51383 ?        ?        0.000000       16.51383 
1 1 1 11 3  8   o 141.8080 13.30897 1.426717       0.2575563     1.426717       0.2575563     0.000000       0.000000      141.8080 13.30897 ?        ?        0.000000       13.30897 
1 1 1 11 3  9   o 132.8438 11.69622 1.245685       0.2123600     1.319720       0.2442681     1.016535       0.4297424     136.3848 13.13303 114.6112 27.50499 21.77357       30.47951 
1 1 1 11 3  10  o 368.7778 11.71144 9.530901       0.5963662     9.222947       0.6847036     10.49872       1.213828      361.7795 13.70631 378.1887 23.35834 -16.40918      27.08274 
1 1 1 11 3  11  o 262.2044 11.47434 4.815721       0.4154377     5.046666       0.4796453     4.122182       0.8311917     267.8864 12.96676 234.5617 26.10580 33.32472       29.14875 
1 1 1 11 3  12  o 321.3603 10.36405 7.215261       0.4598961     7.325488       0.5927806     7.048598       0.7289020     322.5719 13.30851 314.1775 16.86345 8.394440       21.48237 
1 1 1 11 3  13  o 333.6396 10.40289 7.778558       0.4792580     7.884495       0.6180360     7.618769       0.7590344     334.5962 13.37688 326.6169 16.88778 7.979340       21.54386 
1 1 1 11 3  14  f 365.4509 9.568383 9.315965       0.4828427     9.752617       0.5937901     8.463724       0.8295569     373.0580 11.52706 343.8175 17.53174 29.24057       20.98178 
1 1 1 11 3  15  o 183.6086 9.514991 2.357582       0.2404070     2.816331       0.2959971     1.468422       0.4120878     200.3851 10.73658 140.6488 21.93410 59.73621       24.42087 
1 1 1 11 3  16  o 274.2592 10.30136 5.256248       0.3901160     5.171755       0.5020209     5.385050       0.6198336     270.9147 13.41996 274.6274 16.42057 -3.712646      21.20685 
1 1 1 11 3  17  o 188.4996 10.29611 2.490198       0.2669776     2.654290       0.3442796     2.242670       0.4228428     193.8093 12.93904 176.3348 17.60130 17.47444       21.84547 
1 1 1 11 3  18  o 443.5695 10.78840 13.76717       0.6607796     13.38538       1.036947      14.02820       0.8574106     432.8349 17.34987 445.7823 13.92926 -12.94748      22.24954 
1 1 1 11 3  19  o 263.6739 10.41618 4.860784       0.3792396     4.166734       0.5941902     5.337846       0.4926263     240.5518 18.01962 275.3701 12.95576 -34.81833      22.19366 
1 1 1 11 3  20  o 281.8610 10.34416 5.554110       0.4025948     5.283067       0.6358890     5.735440       0.5201131     271.5379 17.04596 285.3113 13.20203 -13.77335      21.56058 
1 1 1 11 3  21  o 263.5111 10.43929 4.855923       0.3798463     4.521333       0.5982997     5.081848       0.4916379     250.9257 17.37467 268.5250 13.25937 -17.59930      21.85612 
1 1 1 11 3  22  o 601.2386 10.26743 25.27118       0.8524060     26.35444       1.220713      24.24034       1.190811      610.2493 14.48667 585.0078 14.74155 25.24146       20.66826 
1 1 1 11 3  23  o 228.2698 10.47911 3.644923       0.3303017     2.906377       0.4205677     4.833727       0.5335836     201.8713 15.19924 260.7663 14.88049 -58.89502      21.27077 
1 1 1 11 3  24  o 301.2033 10.44643 6.346205       0.4344757     6.296046       0.5598716     6.422144       0.6888797     298.6755 13.57534 299.5541 16.72117 -0.8786011     21.53805 
1 1 1 11 3  25  o 154.4507 10.49025 1.676316       0.2223984     1.411513       0.2848584     2.089701       0.3559143     140.3752 14.92498 170.9658 15.23609 -30.59062      21.32824 
1 1 1 11 3  26  o 199.4261 9.399633 2.775404       0.2588398     2.898734       0.3672330     2.653643       0.3648876     202.3564 13.21534 193.3776 13.75486 8.978790       19.07463 
1 1 1 11 3  27  o 146.1330 9.611095 1.497258       0.1928544     1.158275       0.2712062     1.844006       0.2742946     126.6979 15.84890 161.4664 12.39724 -34.76845      20.12161 
1 1 1 11 3  28  o 243.1863 9.476881 4.128181       0.3182310     4.289977       0.4524072     3.969720       0.4477224     246.2459 13.35518 236.6738 13.75939 9.572113       19.17502 
1 1 1 11 3  29  o 221.5722 10.38855 3.434832       0.3178396     2.886366       0.5002019     3.806243       0.4116217     199.6083 18.35359 232.0831 12.89532 -32.47479      22.43086 
1 1 1 11 3  30  o 329.1021 10.47372 7.579982       0.4759591     7.526934       0.7542585     7.615085       0.6135398     324.0594 16.91478 328.3848 13.53075 -4.325439      21.66081 
1 1 1 11 3  31  o 139.7256 10.55322 1.374145       0.2021082     1.280910       0.2627354     1.509282       0.3163118     133.7514 14.45591 144.7166 16.10223 -10.96523      21.63920 
1 1 1 11 3  32  o 211.5438 10.42727 3.132038       0.3045852     3.405951       0.3983000     2.746260       0.4726859     219.3336 13.21293 194.8917 17.75968 24.44196       22.13567 
1 1 1 11 3  33  o 220.7493 9.482870 3.402848       0.2890528     3.310191       0.4100468     3.494371       0.4075296     215.9469 13.82401 222.0975 13.35055 -6.150589      19.21824 
1 1 1 11 3  34  o 271.2858 9.541709 5.140476       0.3574302     5.332236       0.5092280     4.954255       0.5018185     274.7520 13.42250 264.3359 13.79625 10.41605       19.24838 
1 1 1 11 3  35  o 239.7698 9.531054 4.015775       0.3155538     3.739014       0.4460381     4.293088       0.4464833     229.3602 14.15281 246.2840 13.17674 -16.92380      19.33724 
1 1 1 11 3  36  o 391.8538 10.67150 10.75863       0.5774140     10.86465       0.7474006     10.60165       0.9094018     391.8484 13.81330 384.5783 17.12510 7.270142       22.00173 
1 1 1 11 3  37  o 264.2061 10.49137 4.889107       0.3827481     4.929135       0.4949735     4.829576       0.6036304     263.6652 13.64207 259.1392 16.96302 4.525940       21.76810 
1 1 1 11 3  38  o 114.2307 12.43462 0.9294326      0.1929660     0.8929655      0.2718191     0.9664828      0.2739841     109.9380 18.56712 114.7298 17.87710 -4.791756      25.77458 
1 1 1 11 3  39  o 145.4404 10.71733 1.490414       0.2137170     1.454126       0.3384860     1.514470       0.2755986     141.2291 17.74921 145.6432 13.87166 -4.414093      22.52682 
1 1 1 11 3  40  o 97.44078 11.30322 0.6751820      0.1492582     0.6419975      0.2361434     0.6972596      0.1926126     92.67306 19.08917 98.10678 14.66859 -5.433723      24.07413 
1 1 1 11 3  41  o 127.0687 10.04051 1.136656       0.1747350     1.076075       0.2486962     1.195719       0.2455588     122.1540 15.06339 129.2137 13.98607 -7.059662      20.55519 
1 1 1 11 3  42  o 232.1622 9.593679 3.767795       0.3075493     3.714880       0.4367470     3.819842       0.4331558     228.5920 13.90269 231.9602 13.58286 -3.368271      19.43653 
1 1 1 11 3  43  o 170.4050 9.755239 2.037246       0.2285863     1.919180       0.3232930     2.155278       0.3232468     163.8273 14.43895 174.0235 13.55906 -10.19627      19.80735 
1 1 1 11 3  44  o 306.4646 9.617745 6.566920       0.4069973     6.640676       0.5773600     6.494066       0.5738186     306.2328 13.65391 302.7944 13.72425 3.438416       19.35935 
1 1 1 11 3  45  o 252.7682 8.886420 4.459509       0.3101610     4.276267       0.4092129     4.706899       0.4754752     246.4121 12.02678 257.5831 13.41457 -11.17104      18.01650 
1 1 1 11 3  46  o 150.9913 8.464961 1.594677       0.1757763     1.518098       0.2495977     1.670027       0.2475849     146.1974 12.48378 153.6206 11.76112 -7.423187      17.15134 
1 1 1 11 3  47  o 102.0483 9.674443 0.7348140      0.1346944     0.7017738      0.1794503     0.7774486      0.2038468     98.69944 13.52273 103.6167 14.65634 -4.917229      19.94173 
1 1 1 11 3  48  o 208.8099 9.700126 3.051429       0.2796833     2.982178       0.3982714     3.118807       0.3928481     204.4125 14.19829 209.3102 13.66743 -4.897675      19.70762 
1 1 1 11 3  49  o 234.7271 8.956064 3.849275       0.2902808     3.601989       0.4452383     4.032098       0.3828314     224.5399 14.43674 239.2893 11.58634 -14.74942      18.51115 
1 1 1 11 3  50  o 157.9919 9.098790 1.750638       0.1976589     1.891072       0.3024993     1.646005       0.2611095     162.7107 13.58822 152.1142 12.54311 10.59656       18.49241 
1 1 1 11 3  51  o 169.9477 9.079551 2.025389       0.2122965     2.168377       0.3250105     1.918979       0.2803755     174.2164 13.61879 164.2924 12.45159 9.923920       18.45301 
1 1 1 11 3  52  o 182.9806 8.998097 2.342054       0.2273494     2.426620       0.3040816     2.234863       0.3423510     184.9753 11.96940 176.5495 14.16245 8.425858       18.54296 
1 1 1 11 3  53  o 126.1174 9.402568 1.120471       0.1625651     1.253494       0.2190041     0.9572291      0.2426068     132.6006 12.09408 114.4269 15.77386 18.17376       19.87666 
1 1 1 11 3  54  o 122.0153 8.885445 1.047548       0.1486748     1.000164       0.2111699     1.094123       0.2093578     117.8849 13.19938 123.6303 12.43239 -5.745430      18.13251 
1 1 1 11 3  55  o 106.5970 9.234746 0.8027592      0.1345848     0.8902918      0.1916168     0.7175362      0.1890719     111.2247 12.70448 99.19063 14.21046 12.03409       19.06151 
1 1 1 11 3  56  o 128.7281 8.962127 1.167882       0.1583088     1.205805       0.2246930     1.130501       0.2230808     129.5006 12.73001 125.2112 13.09650 4.289413       18.26394 
1 1 1 11 3  57  o 201.2619 8.514192 2.840313       0.2366155     2.821846       0.3348530     2.858729       0.3343971     198.6283 12.26892 199.9839 12.16744 -1.355576      17.27926 
1 1 1 11 3  58  o 139.8029 8.857364 1.379054       0.1701018     1.617308       0.2417330     1.145368       0.2394044     150.2615 11.74401 125.2834 14.08291 24.97810       18.33713 
1 1 1 11 3  59  o 96.61340 9.901208 0.6663623      0.1302224     0.8397804      0.1852194     0.4968475      0.1831230     107.5052 12.72410 80.71761 16.96857 26.78764       21.20931 
1 1 1 11 3  60  o 220.5276 9.158485 3.432447       0.2788846     3.412183       0.3695441     3.459257       0.4250629     217.6400 12.34758 217.6801 14.21966 -0.4002380E-01 18.83246 
1 1 1 11 3  61  o 119.7485 10.63352 1.029253       0.1739973     1.081128       0.2445159     0.9760387      0.2476529     120.5631 15.01294 113.8156 16.21669 6.747566       22.09909 
1 1 1 11 3  62  o 75.76646 11.69253 0.4212495      0.1183905     0.4478019      0.1766437     0.3995952      0.1595213     75.84265 17.25596 71.90078 16.42700 3.941872       23.82466 
1 1 1 11 3  63  o 78.94264 11.26359 0.4558568      0.1192982     0.4265679      0.1695617     0.4845666      0.1678772     73.92225 16.97046 79.42933 15.86168 -5.507080      23.22906 
1 1 1 11 3  64  o 188.1277 9.391172 2.518798       0.2439555     2.936331       0.3729408     2.206508       0.3225331     199.4893 13.62028 172.8208 13.62629 26.66843       19.26623 
1 1 1 11 3  65  o 122.5290 11.47315 1.094917       0.1918552     1.376959       0.2655047     0.7867163      0.2775440     135.5338 14.40780 97.61880 21.19755 37.91499       25.63047 
1 1 1 11 3  66  o 167.2694 9.877831 2.010571       0.2271356     2.378927       0.2997462     1.513834       0.3480826     180.2520 12.11338 138.2896 18.70897 41.96245       22.28810 
1 1 1 11 3  67  o 130.1049 9.643168 1.217935       0.1720081     1.311530       0.2435599     1.124806       0.2429535     132.5530 13.49517 121.8066 14.74523 10.74640       19.98853 
1 1 1 11 3  68  o 163.5877 9.834640 1.927339       0.2211183     1.983327       0.2929687     1.853228       0.3370646     163.3937 13.09522 155.3370 15.94040 8.056671       20.62962 
1 1 1 11 3  69  f 105.4301 11.11467 0.8149323      0.1593695     0.9603262      0.2118776     0.6254942      0.2418499     112.7785 13.89986 86.36267 20.57402 26.41584       24.82935 
1 1 1 11 3  70  o 95.62169 11.93420 0.6783848      0.1541445     0.8667514      0.2458139     0.5563114      0.1978859     104.2971 17.70140 83.07952 17.78642 21.21755       25.09375 
1 1 1 11 3  71  o 220.3697 10.50112 3.515589       0.3195401     3.981852       0.5687967     3.300581       0.3862517     223.2867 18.61805 210.1958 13.37744 13.09093       22.92570 
1 1 1 11 3  72  f 106.7724 11.95149 0.8452482      0.1731830     0.9432607      0.2471295     0.7506675      0.2427644     109.3418 16.91422 95.77497 19.02738 13.56678       25.45843 
1 1 1 11 3  73  o 226.4436 9.529469 3.683528       0.2979660     3.648397       0.3954279     3.729682       0.4532385     221.4016 12.99137 221.3490 14.91593 0.5255127E-01  19.78031 
1 1 1 11 3  74  o 115.9658 10.22971 0.9780009      0.1621280     1.089533       0.2292032     0.8663126      0.2293641     119.8209 14.12462 105.1625 16.32453 14.65834       21.58692 
1 1 1 11 3  75  o 141.9738 9.639462 1.454514       0.1878530     1.480794       0.2652583     1.428072       0.2660722     140.0864 13.89645 137.2613 14.24574 2.825104       19.90107 
1 1 1 11 3  76  o 110.8539 10.38490 0.8954928      0.1571086     0.8093677      0.2211611     0.9832318      0.2232235     101.6134 16.31432 113.4464 14.58786 -11.83306      21.88522 
1 1 1 11 3  77  o 92.49910 11.16649 0.6311842      0.1397384     0.7013501      0.1973525     0.5606367      0.1978884     94.87000 15.60817 83.23964 17.75820 11.63036       23.64251 
1 1 1 11 3  78  o 64.73623 13.35658 0.3224290      0.1154317     0.5047812      0.1631733     0.1397552      0.1633171     80.30264 15.27386 46.49164 17.94781 33.81100       23.56724 
1 1 1 11 3  79  o 88.50513 11.29010 0.5815185      0.1348332     0.5801515      0.1904473     0.5828924      0.1909196     85.00440 16.82093 85.20746 16.82394 -0.2030563     23.79052 
1 1 1 11 3  80  o 41.22405 14.10516 0.1243849      0.9658723E-01 0.1260449      0.1369015     0.1227397      0.1362905     43.53031 16.52354 43.21212 16.46656 0.3181953      23.32755 
1 1 1 11 3  81  o 57.15015 14.70812 0.2614765      0.1167477     0.1193910      0.1538876     0.4541503      0.1792008     43.76330 17.26734 73.64368 17.81613 -29.88038      24.81079 
1 1 1 11 3  82  o 45.36496 15.50741 0.1599510      0.1167450     0.2299373      0.1658928     0.9128281E-01  0.1643230     52.72680 18.46196 42.08713 17.39114 10.63967       25.36328 
1 1 1 11 3  83  o 87.02181 12.50688 0.5866900      0.1459660     0.5387916      0.2252000     0.6213912      0.1916816     76.09998 20.82556 86.12959 16.72013 -10.02960      26.70705 
1 1 1 11 3  84  o 68.18297 14.11056 0.3787705      0.1284703     0.4309440      0.1991571     0.3415881      0.1681277     67.67861 19.95271 61.44886 18.38506 6.229755       27.13155 
1 1 1 11 3  85  o 92.81264 12.57339 0.6823714      0.1569897     0.8473725      0.2427914     0.5638190      0.2058000     96.38593 18.91786 77.57622 19.29294 18.80971       27.02042 
1 1 1 11 3  86  o 60.04851 15.55211 0.3181315      0.1299798     0.3458725      0.1738665     0.2829846      0.1957034     59.41698 18.86330 53.29290 19.85608 6.124088       27.38774 
1 1 1 11 3  87  o 93.84261 11.89722 0.7109519      0.1507022     0.6784321      0.2153888     0.7421395      0.2109313     82.42811 19.26924 88.43530 17.88790 -6.007187      26.29221 
1 1 1 11 3  88  o 57.74726 15.25032 0.3121453      0.1234073     0.1803042      0.1770670     0.4366760      0.1720880     43.37130 17.99797 64.45142 18.41719 -21.08012      25.75111 
1 1 1 11 3  89  o 113.9432 12.34797 1.117050       0.1911687     1.330281       0.2535238     0.8360202      0.2910514     116.8562 16.14298 73.35545 24.48814 43.50079       29.33027 
1 1 1 11 3  90  f 71.55791 17.23124 0.5653479      0.1682243     0.5060176      0.2389880     0.6236149      0.2368369     54.29138 21.48761 62.35439 22.04023 -8.063011      30.78131 
1 1 1 11 3  91  o 55.95809 17.82533 0.4197530      0.1551581     0.2511813      0.2631996     0.5095361      0.1920836     38.06230 18.13465 56.30157 19.85447 -18.23928      26.88988 
1 1 1 11 3  92  o 70.41404 16.20111 0.6133078      0.1542476     0.7248343      0.2050074     0.4677985      0.2341672     63.59738 20.51414 42.21794 19.02724 21.37944       27.97974 
1 1 1 11 3  93  o 46.45267 16.51948 0.3701784      0.1332424     0.4605001      0.1763549     0.2500416      0.2033901     43.67712 18.02982 32.09256 15.46090 11.58455       23.75108 
1 1 1 11 3  94  o 23.68950 11.18294 0.5099918E-01  0.9570961E-01 0.6148580E-01  0.1345564     0.4026024E-01  0.1361656     24.52749 11.98881 23.94049 11.77478 0.5870018      16.80408 
1 1 1 11 3  95  o 23.72705 11.28619 0.1073616      0.1010864     0.2857411      0.1428610     -0.7150165E-01 0.1430546     28.02267 13.35384 19.61747 9.966949 8.405191       16.66329 
1 1 1 11 3  96  o 18.48196 9.181956 0.3223346E-01  0.9057833E-01 0.1952845      0.1278510     -0.1320792     0.1283447     21.97337 10.91518 16.49982 8.466344 5.473545       13.81377 
1 1 1 11 3  97  o 15.45485 7.834683 -0.9233046E-02 0.8508204E-01 0.5469293E-01  0.1201439     -0.7354423E-01 0.1205053     16.73744 8.558619 15.24327 7.837790 1.494170       11.60521 
1 1 1 11 3  98  o 15.74896 8.031464 0.1297889      0.9974627E-01 0.1064281      0.1408817     0.1532701      0.1412441     14.86120 7.676565 15.19704 7.843766 -0.3358393     10.97517 
1 1 1 11 3  99  o 13.07748 6.730329 0.5926618E-01  0.9190773E-01 0.1645426      0.1297076     -0.4688984E-01 0.1302484     13.50504 6.995290 12.34607 6.410322 1.158969       9.488219 
1 1 1 11 3  100 o 11.48895 5.940234 0.2427999E-01  0.8854481E-01 0.1086367      0.1253019     -0.5986006E-01 0.1251408     11.83670 6.148368 11.13360 5.788873 0.7031021      8.444731 
1 1 1 11 3  101 o 10.19720 5.298981 0.3483160E-01  0.9725909E-01 -0.4546845E-01 0.1276395     0.1460038      0.1501845     9.941594 5.175758 10.37747 5.403440 -0.4358768     7.482355 
1 1 1 11 3  102 o 8.462482 4.404631 -0.6316403E-01 0.8694817E-01 -0.2006133E-01 0.1145923     -0.1216512     0.1334852     8.667600 4.513678 8.527765 4.440780 0.1398344      6.331967 
1 1 1 11 3  103 o 7.244127 3.772882 -0.7878980E-01 0.8620267E-01 -0.1350372     0.1312444     -0.3611469E-01 0.1143186     7.303940 3.800561 7.388212 3.846402 -0.8427238E-01 5.407316 
1 1 1 11 3  104 o 6.362371 3.309577 0.4247895E-01  0.1066829     0.1713768      0.1854125     -0.2131395E-01 0.1304375     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  105 o ?        ?        -0.2034729E-01 0.9916022E-01 -0.3268071E-01 0.1388693     -0.7516976E-02 0.1416391     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  106 o ?        ?        0.7160090E-01  0.1012861     0.1623383      0.1333991     -0.5191433E-01 0.1556395     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  107 o ?        ?        0.1245358      0.1078679     0.1717794      0.1434779     0.6311940E-01  0.1635895     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  108 o ?        ?        0.1406552      0.1192982     -0.6947091E-02 0.1722120     0.2768432      0.1654194     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 3  109 o ?        ?        0.1507465      0.1320824     0.1781143      0.2100899     0.1328591      0.1698476     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  0   o 76.99835 21.23232 0.5002088      0.1952240     0.4096610      0.2749567     0.5922629      0.2772343     62.53088 28.89324 79.91167 27.80669 0.000000       0.000000 
1 1 1 11 4  1   o 111.5040 13.79582 0.8898607      0.2078775     0.8377604      0.2538243     0.9959905      0.3622700     106.9094 17.82149 114.5925 23.67801 -7.683113      29.63535 
1 1 1 11 4  2   o 178.5505 16.62145 2.289803       0.4050886     2.271280       0.5725083     2.308374       0.5732560     174.0230 24.50379 175.5730 24.29694 -1.549988      34.50763 
1 1 1 11 4  3   o 89.15338 17.70521 0.5870126      0.2102742     0.6840691      0.2950997     0.4869073      0.2996989     94.91235 22.80178 80.60699 24.64270 14.30536       33.57356 
1 1 1 11 4  4   o 204.0843 13.47250 2.948808       0.3775248     2.438201       0.4578319     4.033614       0.6673268     183.5411 18.30922 235.0441 20.77526 -51.50299      27.69185 
1 1 1 11 4  5   o 109.3705 13.75764 0.8565354      0.2031722     0.9385076      0.2474611     0.6869936      0.3558872     113.8159 16.20332 94.42187 26.31361 19.39408       30.90232 
1 1 1 11 4  6   o 139.7015 11.55409 1.377518       0.2208814     1.436523       0.2539734     1.194319       0.4475129     142.2549 13.07592 124.3351 26.85147 17.91986       29.86605 
1 1 1 11 4  7   o 169.1574 13.43931 2.029504       0.3113236     1.757478       0.3773651     2.609190       0.5508758     155.7365 17.87188 188.2716 21.57966 -32.53508      28.01938 
1 1 1 11 4  8   o 237.4225 11.47259 3.952350       0.3761155     4.225300       0.4346084     3.138117       0.7506391     244.6668 12.90997 202.9912 27.48731 41.67561       30.36806 
1 1 1 11 4  9   o 253.3484 11.51533 4.501134       0.4028400     4.153955       0.4607657     5.627380       0.8298878     242.1856 13.83564 277.0266 21.87294 -34.84105      25.88147 
1 1 1 11 4  10  o 269.2649 11.53435 5.084985       0.4288553     5.094962       0.4926066     5.053749       0.8716215     268.8521 13.26933 260.4895 24.52118 8.362549       27.88124 
1 1 1 11 4  11  f 177.6243 11.58085 2.222049       0.2824869     2.167506       0.3231604     2.398737       0.5816360     174.8086 13.49245 179.0058 24.14754 -4.197220      27.66134 
1 1 1 11 4  12  o 152.4832 11.65527 1.640402       0.2435456     1.656841       0.2784546     1.586896       0.5023783     152.7506 13.33552 144.0463 26.22365 8.704361       29.41965 
1 1 1 11 4  13  o 164.9917 11.61845 1.918911       0.2630064     1.958720       0.3007228     1.789398       0.5424163     166.2078 13.21222 152.9014 26.66053 13.30647       29.75478 
1 1 1 11 4  14  o 316.0775 11.67414 7.010934       0.5095143     6.499318       0.5800424     8.739339       1.066130      303.3291 13.84866 344.7948 22.51660 -41.46567      26.43450 
1 1 1 11 4  15  o 245.3347 11.58144 4.222919       0.3923374     4.459610       0.4519899     3.499544       0.7901660     251.2502 13.07335 214.4366 27.30538 36.81361       30.27369 
1 1 1 11 4  16  o 152.2356 13.65362 1.648366       0.2839627     1.504174       0.3427620     1.963877       0.5070248     143.9762 17.60802 162.0760 23.32752 -18.09982      29.22696 
1 1 1 11 4  17  o 177.1908 13.60357 2.228511       0.3302969     2.378222       0.4008059     1.911670       0.5830789     182.1022 16.10581 157.4102 27.84479 24.69202       32.16721 
1 1 1 11 4  18  o 223.1771 13.55324 3.527915       0.4156901     3.155660       0.5021955     4.338031       0.7408437     209.2431 17.54327 242.5182 22.37533 -33.27510      28.43276 
1 1 1 11 4  19  o 284.4397 10.44318 5.660453       0.4101671     6.391357       0.6518353     5.181342       0.5277476     299.3205 15.82740 270.2893 14.18994 29.03119       21.25703 
1 1 1 11 4  20  o 276.3474 10.37622 5.342249       0.3959428     4.744220       0.6197537     5.754672       0.5146701     256.7717 17.58561 285.7359 13.04446 -28.96420      21.89547 
1 1 1 11 4  21  o 137.5055 9.661379 1.326704       0.1822767     1.239743       0.2559512     1.416193       0.2596449     131.6334 14.31227 141.0440 13.49653 -9.410645      19.67225 
1 1 1 11 4  22  o 281.5232 9.447815 5.532465       0.3672684     5.507267       0.5186933     5.557801       0.5201015     279.3162 13.44858 280.6064 13.42309 -1.290192      19.00115 
1 1 1 11 4  23  o 195.4803 9.406271 2.667335       0.2538975     2.560089       0.3569754     2.777129       0.3611923     189.8938 13.70623 197.9758 13.28967 -8.082016      19.09126 
1 1 1 11 4  24  o 108.1489 10.81264 0.8271014      0.1593061     0.6749612      0.2480408     0.9339212      0.2078389     95.06845 19.54795 114.2951 13.42493 -19.22660      23.71394 
1 1 1 11 4  25  o 204.3426 10.38036 2.929144       0.2919310     2.879303       0.4594226     2.962897       0.3780715     200.0723 16.78492 204.4259 13.46914 -4.353653      21.52095 
1 1 1 11 4  26  o 163.3021 13.46665 1.895173       0.3009530     1.793559       0.3695019     2.095428       0.5187166     157.3967 17.28600 167.4443 23.04546 -10.04761      28.80797 
1 1 1 11 4  27  o 123.8034 11.83696 1.086332       0.1998873     1.149738       0.2322751     0.9053329      0.3924404     126.9296 13.45790 107.7981 26.54168 19.13152       29.75863 
1 1 1 11 4  28  o 149.9424 10.53467 1.581704       0.2167295     1.553714       0.2772745     1.625662       0.3474751     147.6398 13.75941 149.8045 17.10479 -2.164688      21.95211 
1 1 1 11 4  29  o 172.0684 10.59817 2.081260       0.2505831     2.065481       0.3219667     2.105501       0.3990773     170.3634 13.80535 170.6546 17.16865 -0.2911987     22.03066 
1 1 1 11 4  30  f 178.7794 11.82467 2.256031       0.2902585     2.235329       0.4056138     2.277757       0.4155411     175.9804 16.89992 177.5363 17.16494 -1.555923      24.08822 
1 1 1 11 4  31  o 154.7549 10.54876 1.684951       0.2240712     1.976867       0.3510905     1.484333       0.2910552     165.9718 15.49894 143.8625 14.86614 22.10925       21.47602 
1 1 1 11 4  32  o 220.0014 10.44974 3.389680       0.3174455     3.410877       0.4972972     3.375102       0.4123990     217.7555 16.66551 217.9935 13.77128 -0.2380371     21.61914 
1 1 1 11 4  33  o 319.1069 9.584743 7.115925       0.4223326     7.204323       0.5976083     7.027728       0.5969294     319.1678 13.56000 315.1443 13.71752 4.023560       19.28844 
1 1 1 11 4  34  o 239.4341 9.550580 4.006145       0.3157575     4.121810       0.4472524     3.891206       0.4458481     241.0822 13.48948 234.0493 13.85735 7.032928       19.33887 
1 1 1 11 4  35  o 226.2446 9.545341 3.577115       0.2982000     3.747345       0.4229316     3.408824       0.4205157     229.8710 13.38231 218.9429 13.98255 10.92801       19.35453 
1 1 1 11 4  36  o 81.29840 11.16251 0.4721557      0.1220017     0.4354363      0.1727128     0.5087254      0.1723606     76.58636 16.79434 83.26041 15.56431 -6.674049      22.89755 
1 1 1 11 4  37  o 85.17484 10.96710 0.5169741      0.1259892     0.5487793      0.1787906     0.4856027      0.1775669     86.55701 15.52968 81.05647 16.42745 5.500542       22.60602 
1 1 1 11 4  38  o 238.9513 10.64361 4.002946       0.3511854     3.938026       0.5626615     4.044376       0.4494861     233.3804 17.58932 238.6362 13.69826 -5.255829      22.29409 
1 1 1 11 4  39  o 167.3072 10.77719 1.971042       0.2476517     2.101820       0.3994108     1.889362       0.3156534     170.2918 17.22265 162.6274 14.19894 7.664383       22.32106 
1 1 1 11 4  40  f 128.8328 11.09348 1.173522       0.1954235     1.304718       0.3149919     1.091424       0.2491759     133.6950 17.48128 123.0218 14.97762 10.67322       23.02008 
1 1 1 11 4  41  f 215.9663 9.614431 3.261616       0.2867131     3.383818       0.4061606     3.140237       0.4047899     218.2278 13.54566 209.9750 14.04220 8.252777       19.51072 
1 1 1 11 4  42  o 209.6983 10.57878 3.091210       0.3053272     2.982129       0.4775854     3.166613       0.3970727     203.0133 17.19847 210.9834 13.70386 -7.970154      21.99053 
1 1 1 11 4  43  o 205.9183 10.77715 2.983820       0.3053685     3.289971       0.3945857     2.526663       0.4821771     215.1886 13.34540 185.7109 19.07412 29.47768       23.27921 
1 1 1 11 4  44  o 134.6008 11.33195 1.282676       0.2086561     1.227724       0.2677143     1.367714       0.3330353     130.4053 15.14982 136.5123 18.11511 -6.106918      23.61513 
1 1 1 11 4  45  o 71.36641 11.98778 0.3682653      0.1139443     0.4290209      0.1619327     0.3086827      0.1603619     76.09906 15.92197 64.33469 17.56038 11.76437       23.70392 
1 1 1 11 4  46  o 118.4481 11.29856 0.9958267      0.1825539     1.188844       0.2846544     0.8609799      0.2379250     127.6712 16.53526 108.4108 16.40685 19.26046       23.29377 
1 1 1 11 4  47  o 108.5269 10.80508 0.8357087      0.1597683     0.8142440      0.2261196     0.8571080      0.2257739     105.4501 16.03452 108.4266 15.52293 -2.976463      22.31742 
1 1 1 11 4  48  o 252.0012 10.65805 4.464833       0.3708672     4.712241       0.5870427     4.300502       0.4784345     255.0558 16.76184 245.2536 14.18823 9.802231       21.96054 
1 1 1 11 4  49  o 92.01165 12.42683 0.6095218      0.1538461     0.7195833      0.2043958     0.4656707      0.2336741     99.09942 15.43997 77.89933 21.17063 21.20009       26.20283 
1 1 1 11 4  50  o 179.7398 10.86262 2.284328       0.2683314     2.249784       0.3516021     2.332510       0.4152449     176.7433 14.53573 178.6290 17.04175 -1.885773      22.39886 
1 1 1 11 4  51  o 82.47829 12.01976 0.4912878      0.1328665     0.5275378      0.1905456     0.4569823      0.1853647     83.87479 17.03380 77.75514 17.66635 6.119644       24.54079 
1 1 1 11 4  52  o 108.1889 11.24525 0.8362046      0.1655379     0.8762479      0.2379372     0.7986407      0.2304539     108.8519 16.33439 103.6960 16.65875 5.155853       23.33080 
1 1 1 11 4  53  o 86.37363 11.91940 0.5393277      0.1383712     0.5386543      0.1996185     0.5399505      0.1919778     84.23830 17.72281 84.60842 17.02195 -0.3701172     24.57325 
1 1 1 11 4  54  o 92.89519 11.70413 0.6225670      0.1467984     0.6442503      0.2124290     0.6027475      0.2030941     92.34169 17.29572 89.33766 17.08625 3.004028       24.31217 
1 1 1 11 4  55  o 105.5041 10.38905 0.7950799      0.1493867     0.8118478      0.1960242     0.7718511      0.2307206     105.3152 13.81277 101.1656 17.12762 4.149666       22.00336 
1 1 1 11 4  56  o 155.4393 9.430595 1.711461       0.2014557     1.833163       0.2688948     1.555748       0.3041551     159.5005 12.30414 145.1476 15.41141 14.35284       19.72063 
1 1 1 11 4  57  o 135.7904 10.15578 1.315199       0.1890447     1.305712       0.2649161     1.325043       0.2698514     133.0442 14.66387 133.9328 14.84098 -0.8885803     20.86345 
1 1 1 11 4  58  o 98.74894 10.10820 0.6997305      0.1358876     0.7251413      0.2029462     0.6790797      0.1829532     98.18038 15.48293 95.51376 14.31273 2.666626       21.08495 
1 1 1 11 4  59  o 67.76986 11.58988 0.3383451      0.1045584     0.4379118      0.1488974     0.2414851      0.1468596     76.04842 14.71140 56.15971 17.26392 19.88872       22.68189 
1 1 1 11 4  60  o 172.8263 8.771461 2.119622       0.2086382     2.210513       0.2968591     2.030903       0.2932911     174.1687 12.42512 166.6095 12.84775 7.559250       17.87312 
1 1 1 11 4  61  o 117.5092 9.970941 0.9927837      0.1602609     1.200846       0.2476820     0.8429422      0.2101910     126.7223 14.41110 105.7327 14.80261 20.98956       20.65907 
1 1 1 11 4  62  o 115.7196 10.21997 0.9666968      0.1616248     1.100133       0.2484960     0.8688600      0.2127813     120.4358 15.28685 107.1933 14.76771 13.24255       21.25496 
1 1 1 11 4  63  o 185.0982 9.530668 2.453895       0.2427655     2.640619       0.3212001     2.205117       0.3707510     189.7669 12.32469 170.0219 15.97958 19.74503       20.18031 
1 1 1 11 4  64  o 104.2221 11.03108 0.7935948      0.1563380     0.7342883      0.2055069     0.8750687      0.2408709     97.51512 15.80299 105.7236 17.08209 -8.208527      23.27085 
1 1 1 11 4  65  o 169.5307 9.643931 2.065864       0.2248235     2.234793       0.3011774     1.853259       0.3378744     173.9434 12.62542 155.3353 15.98037 18.60805       20.36599 
1 1 1 11 4  66  o 72.16911 12.33591 0.3911794      0.1185145     0.2531711      0.1617122     0.5513114      0.1741924     56.47352 18.22000 84.18831 15.55748 -27.71479      23.95837 
1 1 1 11 4  67  o 63.17608 14.13717 0.3090852      0.1202454     0.4709840      0.2084378     0.2283298      0.1472111     75.08723 19.81495 53.92012 17.38261 21.16711       26.35882 
1 1 1 11 4  68  f 47.59323 14.27876 0.1739235      0.1013094     0.2764944      0.1560138     0.9913713E-01  0.1332178     58.58069 17.75188 41.44659 16.15097 17.13409       23.99965 
1 1 1 11 4  69  o 121.9427 10.32278 1.081557       0.1721845     1.283769       0.2671628     0.9378883      0.2251925     129.2397 15.26544 110.3490 15.18109 18.89069       21.52903 
1 1 1 11 4  70  o 108.8633 11.74611 0.8764234      0.1737711     1.023453       0.2493377     0.7375634      0.2423118     114.5038 16.22383 94.79567 19.17056 19.70811       25.11420 
1 1 1 11 4  71  o 185.5734 9.688319 2.482592       0.2473962     2.648581       0.3310284     2.272580       0.3723471     188.7981 12.77298 171.5577 15.89879 17.24040       20.39413 
1 1 1 11 4  72  o 100.3384 10.63458 0.7365798      0.1450958     0.7268909      0.2070522     0.7459292      0.2033896     96.34581 16.13403 98.02219 15.54562 -1.676376      22.40475 
1 1 1 11 4  73  o 200.1292 8.982352 2.863607       0.2482210     2.983529       0.3530000     2.746315       0.3491073     200.4173 12.82284 191.7888 13.26397 8.628464       18.44880 
1 1 1 11 4  74  o 132.6350 9.650105 1.270757       0.1755258     1.359829       0.2498880     1.184010       0.2466064     134.3457 13.66054 124.5543 14.61648 9.791374       20.00629 
1 1 1 11 4  75  o 92.47055 11.16012 0.6311239      0.1396174     0.6631218      0.1993448     0.6003149      0.1956060     91.65423 16.35094 86.71253 16.94415 4.941696       23.54692 
1 1 1 11 4  76  o 99.70905 10.43143 0.7281756      0.1414944     0.8512836      0.2022477     0.6101538      0.1980257     105.4185 14.26004 87.18221 17.06050 18.23630       22.23532 
1 1 1 11 4  77  o 60.32752 13.16080 0.2815408      0.1065475     0.2662805      0.1521311     0.2962327      0.1492715     57.12079 17.57297 60.19318 17.13641 -3.072388      24.54518 
1 1 1 11 4  78  o 82.52496 12.02761 0.5141867      0.1330280     0.5903183      0.1776561     0.4170185      0.2007056     86.26792 15.48290 69.36133 19.91139 16.90659       25.22268 
1 1 1 11 4  79  o 100.1918 12.06691 0.7591240      0.1635844     0.9006016      0.2319538     0.6191259      0.2307377     105.5789 16.44620 84.07052 20.14088 21.50838       26.00255 
1 1 1 11 4  80  o 40.64948 14.07050 0.1235843      0.9622611E-01 0.3799988E-01  0.1454895     0.1901348      0.1282951     37.06080 15.88965 48.53676 16.25806 -11.47596      22.73336 
1 1 1 11 4  81  o 29.74200 12.19396 0.3564513E-01  0.7998072E-01 0.1239284      0.1143247     -0.4898259E-01 0.1119328     41.14934 15.20690 27.99048 12.82409 13.15886       19.89238 
1 1 1 11 4  82  o 46.34270 14.50153 0.1770731      0.1031025     0.5290311      0.1580166     -0.8384618E-01 0.1360537     80.11210 14.83076 29.10250 13.60978 51.00960       20.12902 
1 1 1 11 4  83  o 32.98991 13.15212 0.6327182E-01  0.9013752E-01 0.1801452      0.1383194     -0.2299393E-01 0.1188350     46.03810 16.77192 29.76786 13.47245 16.27024       21.51289 
1 1 1 11 4  84  o 40.50780 14.81854 0.1331592      0.1081370     0.1844383      0.1426862     0.6396269E-01  0.1657499     45.71206 16.96972 38.17150 16.66058 7.540562       23.78122 
1 1 1 11 4  85  o 91.31371 11.45529 0.6690513      0.1412587     0.8622146      0.2011658     0.4811579      0.1984027     98.90987 15.21681 67.13717 19.94583 31.77270       25.08759 
1 1 1 11 4  86  o 54.41679 15.24300 0.2809336      0.1191041     0.3188902      0.1601071     0.2339017      0.1782226     54.30070 18.16235 46.54631 18.51353 7.754387       25.93496 
1 1 1 11 4  87  o 80.96893 14.87398 0.6205676      0.1601686     0.7099059      0.2292638     0.5353925      0.2238581     74.75276 21.22198 61.82079 21.45744 12.93197       30.17937 
1 1 1 11 4  88  o 57.70295 15.55073 0.3542906      0.1267060     0.3562993      0.1930717     0.3527711      0.1679268     48.70761 19.30209 51.10101 18.50076 -2.393406      26.73665 
1 1 1 11 4  89  o 43.32327 15.54309 0.2330053      0.1182048     0.1856460      0.1801775     0.2687902      0.1566205     36.69888 16.60107 42.50136 17.19888 -5.802479      23.90391 
1 1 1 11 4  90  o 27.53993 12.43051 0.5668725E-01  0.1003773     0.8055536E-01  0.1456882     0.3511803E-01  0.1384946     29.76912 13.97293 27.81775 13.22570 1.951372       19.23960 
1 1 1 11 4  91  o 33.83719 13.96410 0.1768508      0.1057447     0.1187222      0.1425072     0.2480721      0.1577418     28.94517 13.65838 33.95903 15.42967 -5.013859      20.60646 
1 1 1 11 4  92  o 21.49748 10.17822 0.1869479E-01  0.8036689E-01 0.4573635E-01  0.1152304     -0.6917720E-02 0.1121443     23.67263 11.46138 21.85573 10.73666 1.816902       15.70475 
1 1 1 11 4  93  o 25.29992 11.66761 0.1350549      0.9476858E-01 0.5532242E-01  0.1357559     0.2108425      0.1323549     21.66582 10.83809 26.01484 12.51754 -4.349020      16.55757 
1 1 1 11 4  94  o 21.55043 10.41251 0.1254218      0.9388809E-01 0.2428691      0.1353382     0.1646023E-01  0.1303574     22.63002 11.23947 18.43531 9.380865 4.194708       14.63989 
1 1 1 11 4  95  o 18.15215 9.058995 0.1067141      0.9238102E-01 0.9256067E-01  0.1330608     0.1198850      0.1283590     17.13683 8.781296 17.53749 8.957819 -0.4006538     12.54407 
1 1 1 11 4  96  o 13.98066 7.139531 0.6592564E-02  0.8114584E-01 -0.1363234     0.1187240     0.1318865      0.1111638     13.09890 6.781972 15.54969 7.971839 -2.450792      10.46639 
1 1 1 11 4  97  o 12.50202 6.427165 0.4568058E-02  0.8055198E-01 -0.2126132E-01 0.1176746     0.2734349E-01  0.1104991     12.47233 6.466505 12.77840 6.612313 -0.3060732     9.248696 
1 1 1 11 4  98  o 11.89518 6.143332 0.6456183E-01  0.8931400E-01 0.6735299E-01  0.1301283     0.6207591E-01  0.1228075     11.70151 6.081574 11.70034 6.077754 0.1168251E-02  8.597943 
1 1 1 11 4  99  o 10.23046 5.314548 0.1513292E-01  0.9439050E-01 0.7440377E-01  0.1267281     -0.5871952E-01 0.1414603     10.40976 5.417299 10.06616 5.241380 0.3435993      7.537851 
1 1 1 11 4  100 o 8.827152 4.595040 0.6778529E-03  0.9828162E-01 -0.1010321     0.1403997     0.9840627E-01  0.1376242     8.694868 4.528043 9.006093 4.690210 -0.3112249     6.519298 
1 1 1 11 4  101 o 7.383747 3.845083 -0.6133158E-01 0.8029991E-01 -0.8586475E-01 0.1299911     -0.4619306E-01 0.1021124     7.480473 3.893628 7.485049 3.898144 -0.4576206E-02 5.509616 
1 1 1 11 4  102 o 6.302775 3.282138 -0.8029439E-01 0.7708046E-01 -0.1347565     0.1257751     -0.4753665E-01 0.9754495E-01 6.369373 3.309957 6.404065 3.333025 -0.3469181E-01 4.697326 
1 1 1 11 4  103 o ?        ?        0.9638895E-01  0.1102241     0.6148625E-01  0.1573989     0.1299765      0.1544051     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  104 o ?        ?        -0.4701853E-01 0.8545854E-01 -0.1399699     0.1159417     0.6355379E-01  0.1264547     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  105 o ?        ?        -0.3107877E-02 0.8925596E-01 -0.8566966E-01 0.1230180     0.8866806E-01  0.1297010     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  106 o ?        ?        0.1054744      0.1018537     0.2098276      0.1538173     0.2398916E-01  0.1359226     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  107 o ?        ?        0.4608065E-01  0.1049270     0.4587533E-01  0.1775356     0.4619087E-01  0.1300764     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 4  108 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 5  0   o 362.0501 24.22313 9.493103       1.198540      0.000000       0.000000      9.493103       1.198540      362.0501 24.22313 362.0501 24.22313 0.000000       0.000000 
1 1 1 11 5  1   o 354.0595 16.78825 8.957090       0.8207666     9.036994       1.158268      8.876503       1.163226      348.6958 24.20600 345.2136 24.56298 3.482269       34.48580 
1 1 1 11 5  2   o 239.9288 16.64017 4.128237       0.5478806     4.224118       0.7721491     4.031019       0.7775194     238.2024 23.79397 232.0514 24.64259 6.151062       34.25508 
1 1 1 11 5  3   o 154.4340 16.91345 1.722884       0.3547747     1.587823       0.4964793     1.863811       0.5071450     144.0749 25.90854 157.3152 24.11564 -13.24030      35.39515 
1 1 1 11 5  4   o 203.2480 16.68418 2.968091       0.4641098     3.546322       0.6584985     2.397344       0.6542231     219.2188 22.05328 176.5779 27.74697 42.64091       35.44350 
1 1 1 11 5  5   o 119.6266 13.91806 1.024309       0.2256055     1.147153       0.2756127     0.7748527      0.3927528     125.9250 16.22839 99.62714 27.59988 26.29782       32.01740 
1 1 1 11 5  6   o 185.5601 13.57671 2.443762       0.3454552     2.439136       0.4222066     2.453132       0.6008812     184.0747 16.79586 180.4565 24.76776 3.618210       29.92562 
1 1 1 11 5  7   o 295.3263 13.46198 6.157524       0.5489705     5.548326       0.6638032     7.475815       0.9764856     277.8149 17.39159 318.6730 22.33241 -40.85815      28.30554 
1 1 1 11 5  8   o 237.9099 16.63092 4.060026       0.5429080     4.368873       0.7659163     3.748141       0.7696733     242.7058 23.13408 223.0828 25.44139 19.62300       34.38677 
1 1 1 11 5  9   o 151.2775 13.60438 1.628544       0.2811393     1.798761       0.3419983     1.273780       0.4937322     158.2268 15.86707 127.2953 28.76651 30.93150       32.85234 
1 1 1 11 5  10  o 148.5083 13.67089 1.570426       0.2771927     1.374182       0.3351579     1.995236       0.4931141     137.2513 18.12822 163.7155 22.40086 -26.46428      28.81720 
1 1 1 11 5  11  o 148.1554 13.61599 1.562734       0.2754338     1.754206       0.3355317     1.167127       0.4822950     156.2648 15.76564 121.5642 29.11607 34.70057       33.11043 
1 1 1 11 5  12  o 305.2451 13.47961 6.579772       0.5681513     6.270899       0.6896569     7.232146       1.002286      295.6436 16.96478 312.3792 23.40672 -16.73563      28.90810 
1 1 1 11 5  13  o 271.6692 13.38040 5.210449       0.5019350     5.143001       0.6107944     5.350735       0.8808762     267.8634 16.59539 267.9431 24.06525 -0.7971191E-01 29.23257 
1 1 1 11 5  14  o 223.7800 13.43739 3.548023       0.4132929     3.404267       0.5014777     3.852418       0.7297207     217.6184 16.81908 227.4047 23.58193 -9.786285      28.96531 
1 1 1 11 5  15  o 263.6668 13.50045 4.922589       0.4898721     5.059883       0.5987763     4.644692       0.8518854     265.7691 16.39639 248.6195 25.16107 17.14961       30.03200 
1 1 1 11 5  16  o 110.6222 25.80446 0.9481086      0.3869371     0.000000       0.000000      0.9481086      0.3869371     ?        ?        110.6222 25.80446 0.000000       25.80446 
1 1 1 11 5  17  o 146.3958 17.23486 1.554275       0.3417236     2.002279       0.4812353     1.098612       0.4853310     164.2383 21.75544 117.4674 29.85766 46.77087       36.94291 
1 1 1 11 5  18  o 247.2050 17.10721 4.396034       0.5803577     2.882344       0.7937760     6.134508       0.8506746     191.1883 31.13947 288.9892 21.47127 -97.80086      37.82436 
1 1 1 11 5  19  o 148.2416 25.34742 1.676963       0.5002064     1.676963       0.5002064     0.000000       0.000000      148.2416 25.34742 ?        ?        0.000000       25.34742 
1 1 1 11 5  20  o 338.6973 13.65302 8.111473       0.6385255     8.369392       0.7808532     7.590934       1.109313      342.1670 16.52697 317.6959 25.50236 24.47110       30.38933 
1 1 1 11 5  21  o 258.6773 13.56191 4.742378       0.4827271     4.170314       0.5848389     5.965240       0.8550718     240.3160 17.75006 284.4754 21.93744 -44.15939      28.21908 
1 1 1 11 5  22  o 299.1220 11.75753 6.289063       0.4856266     5.981536       0.6785069     6.612060       0.6953629     288.4205 17.11342 303.6045 16.65045 -15.18393      23.87690 
1 1 1 11 5  23  o 231.3010 11.78832 3.770309       0.3752531     3.936250       0.5272815     3.600009       0.5341616     234.1541 16.41181 223.3205 17.46128 10.83365       23.96339 
1 1 1 11 5  24  o 281.7365 11.75332 5.580029       0.4572372     6.268718       0.6499962     4.905419       0.6433178     296.0044 15.96184 260.5061 17.99452 35.49829       24.05376 
1 1 1 11 5  25  o 308.9031 11.77390 6.708992       0.5022046     6.741567       0.7074990     6.675910       0.7129820     306.4066 16.78592 304.7487 17.01121 1.657898       23.89871 
1 1 1 11 5  26  o 172.8740 11.90713 2.111601       0.2824999     2.194231       0.3953670     2.025409       0.4037966     174.3940 16.61949 166.9761 17.78722 7.417862       24.34323 
1 1 1 11 5  27  o 215.5916 10.44891 3.255833       0.3110575     3.081385       0.4891061     3.374310       0.4030743     206.5284 17.31050 218.0685 13.45178 -11.54010      21.92268 
1 1 1 11 5  28  f 80.35002 10.78332 0.4603595      0.1166209     0.4652908      0.1619258     0.4550448      0.1681011     79.62418 15.28338 78.51987 16.04624 1.104309       22.15995 
1 1 1 11 5  29  o 90.32198 10.47720 0.5788649      0.1282431     0.7471689      0.1793941     0.4029632      0.1833986     102.1028 13.02066 73.38119 18.19070 28.72157       22.37050 
1 1 1 11 5  30  o 270.1864 9.541755 5.102206       0.3559834     4.966553       0.5010477     5.240479       0.5058599     264.5046 13.76609 272.1871 13.45937 -7.682495      19.25253 
1 1 1 11 5  31  o 188.9709 10.54940 2.510198       0.2741723     2.570237       0.4358939     2.470897       0.3526720     188.6403 16.91398 186.3064 13.80726 2.333908       21.83399 
1 1 1 11 5  32  o 107.1713 11.14142 0.8146377      0.1624659     0.7928782      0.2615956     0.8283005      0.2072890     103.2124 19.05730 107.1591 14.37116 -3.946724      23.86862 
1 1 1 11 5  33  o 294.9507 10.51639 6.097592       0.4283058     6.323081       0.6831685     5.951565       0.5497673     296.5450 16.75252 289.8698 13.73529 6.675140       21.66345 
1 1 1 11 5  34  o 113.7841 10.11772 0.9133477      0.1573067     0.8925532      0.2213531     0.9345654      0.2235943     111.1467 14.79002 113.8484 14.55641 -2.701668      20.75171 
1 1 1 11 5  35  f 154.7459 9.763242 1.681619       0.2075481     1.641278       0.2915305     1.723079       0.2955455     151.4980 14.09783 155.3186 13.92843 -3.820618      19.81791 
1 1 1 11 5  36  o 223.0011 10.59178 3.487685       0.3261473     3.407465       0.4169788     3.614104       0.5234538     218.8049 13.87304 223.6707 17.07756 -4.865768      22.00237 
1 1 1 11 5  37  o 153.7392 10.90420 1.667462       0.2299797     1.712258       0.2933446     1.596013       0.3704741     154.7971 13.87101 147.4470 18.61088 7.350082       23.21142 
1 1 1 11 5  38  o 309.5445 10.63468 6.724055       0.4545542     6.966368       0.5862549     6.358806       0.7197683     313.5014 13.54282 296.3807 17.66779 17.12067       22.26115 
1 1 1 11 5  39  o 133.0923 10.04351 1.247917       0.1832170     1.383455       0.2585890     1.111285       0.2596301     139.0431 13.64439 123.8212 15.52667 15.22186       20.66995 
1 1 1 11 5  40  o 240.4306 9.646329 4.047129       0.3202505     4.026536       0.4521737     4.067854       0.4536351     237.7176 13.83529 238.9531 13.80735 -1.235519      19.54631 
1 1 1 11 5  41  o 214.5629 9.696145 3.224619       0.2872709     3.330327       0.4065431     3.119203       0.4059824     216.1252 13.69346 208.9085 14.15744 7.216736       19.69629 
1 1 1 11 5  42  o 123.3423 10.14004 1.074277       0.1711698     1.139383       0.2424082     1.009533       0.2417345     125.7456 14.21034 117.9200 15.20000 7.825607       20.80803 
1 1 1 11 5  43  o 105.2701 11.48732 0.7902018      0.1642685     0.8972237      0.2611881     0.7201667      0.2112876     109.9992 17.80435 98.98037 16.00550 11.01879       23.94098 
1 1 1 11 5  44  o 67.35294 13.35486 0.3330912      0.1198160     0.1701219      0.1903105     0.4401053      0.1542164     52.90224 19.60623 77.18462 15.01023 -24.28238      24.69233 
1 1 1 11 5  45  o 183.7890 12.02026 2.400793       0.3033699     2.346324       0.4380897     2.450978       0.4205098     178.5676 18.01348 183.2583 16.80502 -4.690750      24.63523 
1 1 1 11 5  46  o 158.3955 10.81956 1.777066       0.2352255     1.655674       0.3082993     1.946180       0.3638869     151.1318 14.97025 163.2340 16.36462 -12.10217      22.17902 
1 1 1 11 5  47  o 88.29032 11.23956 0.5595313      0.1339182     0.6303908      0.1897015     0.4891370      0.1890779     92.37249 15.41603 80.41746 17.52285 11.95503       23.33890 
1 1 1 11 5  48  o 141.6310 10.23484 1.421767       0.1988125     1.483318       0.2811031     1.360164       0.2812237     142.8910 14.44538 136.4235 15.18653 6.467453       20.95948 
1 1 1 11 5  49  o 121.4997 11.72254 1.058534       0.1942275     1.202905       0.2499419     0.8384508      0.3085970     128.4576 14.33547 103.1443 22.31586 25.31337       26.52363 
1 1 1 11 5  50  o 76.17612 13.78779 0.4294856      0.1396887     0.4563414      0.1793932     0.3881221      0.2226365     77.33134 17.23995 70.55354 21.16722 6.777809       27.29958 
1 1 1 11 5  51  o 77.69574 15.25836 0.4535255      0.1578563     0.4346339      0.2146548     0.4757748      0.2329510     74.34583 20.32658 77.47453 21.17230 -3.128708      29.35023 
1 1 1 11 5  52  o 131.5122 11.62106 1.244790       0.2088611     1.392511       0.3225847     1.138169       0.2740604     135.7585 17.62412 123.2144 16.52456 12.54411       24.15928 
1 1 1 11 5  53  o 130.1911 11.54349 1.222115       0.2053662     1.217945       0.3153634     1.225185       0.2706097     125.8406 18.71908 128.1742 15.61246 -2.333595      24.37525 
1 1 1 11 5  54  o 203.0086 10.11607 2.932089       0.2835727     3.035767       0.4033229     2.830732       0.3987804     203.0257 14.48176 195.6905 14.86916 7.335236       20.75604 
1 1 1 11 5  55  o 153.3077 10.57673 1.687136       0.2225300     1.683424       0.3176606     1.690714       0.3118302     149.8866 15.57586 150.4778 15.21660 -0.5912018     21.77504 
1 1 1 11 5  56  f 124.2906 11.03222 1.117628       0.1873706     1.172833       0.2691399     1.065706       0.2610111     124.3190 16.05346 118.1847 16.43927 6.134308       22.97745 
1 1 1 11 5  57  o 112.6801 12.65626 0.9355677      0.1935144     0.7207178      0.3167471     1.063519       0.2444369     91.12440 24.59955 118.5898 15.28295 -27.46542      28.96043 
1 1 1 11 5  58  o 151.2600 11.88874 1.670741       0.2463112     1.915010       0.3993123     1.520717       0.3129391     155.8262 18.94810 140.9103 16.38963 14.91597       25.05295 
1 1 1 11 5  59  o 149.0936 11.85468 1.626074       0.2420393     1.511052       0.3879545     1.699376       0.3097049     135.6322 21.42637 149.8225 15.17993 -14.19032      26.25870 
1 1 1 11 5  60  o 129.9627 11.22788 1.232063       0.1995119     1.430243       0.2848899     1.041321       0.2794923     137.0810 15.31250 114.5769 18.28022 22.50410       23.84616 
1 1 1 11 5  61  o 75.79888 17.07900 0.4575907      0.1744712     0.3308733      0.2356619     0.6112905      0.2595422     63.49051 22.01708 84.53062 22.01712 -21.04010      31.13688 
1 1 1 11 5  62  o 164.0379 13.27248 2.004839       0.2980548     2.299679       0.4169338     1.696679       0.4262469     170.7746 17.94957 141.7058 22.53871 29.06882       28.81285 
1 1 1 11 5  63  o 67.76217 15.98727 0.3634230      0.1471715     0.1622745      0.2311641     0.5005257      0.1908468     51.93808 20.93773 78.63362 17.96941 -26.69554      27.59146 
1 1 1 11 5  64  o 47.99117 16.11403 0.1734093      0.1260350     0.8313773E-01  0.2030926     0.2299490      0.1607293     45.59953 19.12628 54.19664 18.19727 -8.597115      26.39991 
1 1 1 11 5  65  o 121.8150 12.81412 1.107781       0.2123080     1.602369       0.3445360     0.8050071      0.2695706     141.9230 17.98451 98.06276 20.56491 43.86020       27.31956 
1 1 1 11 5  66  o 129.0614 14.13809 1.262518       0.2478335     1.925166       0.4969168     1.043113       0.2859342     146.6734 25.45882 113.3893 18.92970 33.28412       31.72514 
1 1 1 11 5  67  o 54.55855 16.67957 0.2358680      0.1373019     0.1950264      0.1802009     0.2923957      0.2120001     51.69209 19.09411 59.94592 20.87716 -8.253830      28.29206 
1 1 1 11 5  68  o 76.29340 14.36137 0.4490925      0.1457420     0.5794375      0.1843889     0.2320908      0.2379136     85.80296 16.15582 56.31147 21.68376 29.49149       27.04063 
1 1 1 11 5  69  o 41.95287 13.73267 0.1296849      0.9169334E-01 0.1967560      0.1325912     0.6820803E-01  0.1269411     50.50903 16.51271 38.40169 15.50343 12.10734       22.65007 
1 1 1 11 5  70  o 97.63639 10.21350 0.6947828      0.1356590     0.8058907      0.1952937     0.5911788      0.1885838     102.9120 14.11493 86.54611 16.38030 16.36588       21.62280 
1 1 1 11 5  71  o 87.25752 10.65102 0.5591373      0.1256676     0.6193733      0.1810569     0.5031452      0.1745626     89.31029 15.22785 79.60069 16.42652 9.709595       22.39906 
1 1 1 11 5  72  o 62.53142 12.72087 0.2985631      0.1060997     0.3605885      0.1535631     0.2419092      0.1467632     66.91527 16.67884 55.03759 17.31461 11.87767       24.04121 
1 1 1 11 5  73  o 61.70146 12.45703 0.2905513      0.1024756     0.3184062      0.1478500     0.2647984      0.1421621     62.67562 16.75925 57.26794 16.85027 5.407681       23.76561 
1 1 1 11 5  74  o 91.83051 11.09750 0.6253706      0.1378638     0.6377789      0.1852699     0.6099749      0.2063700     90.00398 15.46481 86.20868 17.92101 3.795303       23.67114 
1 1 1 11 5  75  o 70.49789 13.32004 0.3849538      0.1249124     0.4665358      0.1760171     0.3021826      0.1772954     75.19268 17.31104 59.76377 19.05637 15.42891       25.74524 
1 1 1 11 5  76  f 92.56190 10.86823 0.6392531      0.1362652     0.6604613      0.2062285     0.6228188      0.1815399     89.31995 17.34629 88.16891 15.47593 1.151047       23.24647 
1 1 1 11 5  77  o 43.67863 13.58198 0.1499026      0.9060200E-01 0.2565777      0.1360120     0.6480825E-01  0.1214775     55.30396 16.53378 36.72997 15.03987 18.57399       22.35092 
1 1 1 11 5  78  o 48.61671 13.13488 0.1897205      0.9026198E-01 0.2565335      0.1286481     0.1249421      0.1266742     55.09922 15.97743 41.79419 15.88722 13.30503       22.53180 
1 1 1 11 5  79  o 33.40469 12.95974 0.6859484E-01  0.8548193E-01 0.4315168E-02  0.1303735     0.1170672      0.1132139     32.90218 14.55279 40.03798 15.06587 -7.135799      20.94670 
1 1 1 11 5  80  o 77.49358 12.22036 0.4767773      0.1264310     0.5517353      0.1938041     0.4212421      0.1668163     77.32581 18.41485 67.95112 17.62820 9.374687       25.49236 
1 1 1 11 5  81  o 46.48382 14.47315 0.1865187      0.1028437     0.3158414      0.1354527     0.1049322E-01  0.1580295     59.09634 16.14253 34.85324 15.67661 24.24310       22.50194 
1 1 1 11 5  82  o 55.49547 14.91858 0.2770373      0.1167864     0.3544474      0.1539310     0.1720417      0.1792721     60.21419 17.48179 44.15223 18.19692 16.06197       25.23372 
1 1 1 11 5  83  o 80.70509 12.83409 0.5551397      0.1382336     0.6268176      0.1858965     0.4664826      0.2067450     79.75275 17.37227 62.45654 20.62928 17.29622       26.96966 
1 1 1 11 5  84  o 75.48386 14.74293 0.5348561      0.1481533     0.5344838      0.2154597     0.5351902      0.2040468     63.58362 21.06236 65.42709 20.38879 -1.843475      29.31426 
1 1 1 11 5  85  o 55.80422 15.37344 0.3259799      0.1222440     0.2759229      0.1923974     0.3598687      0.1583049     44.38567 18.61644 53.63584 18.05925 -9.250168      25.93662 
1 1 1 11 5  86  o 67.98872 14.95961 0.4913952      0.1366293     0.6458659      0.2122340     0.3820677      0.1785488     63.13498 20.90364 49.01470 18.80685 14.12028       28.11867 
1 1 1 11 5  87  o 77.94848 15.72274 0.7160691      0.1633898     0.8754649      0.2359077     0.5691141      0.2265145     66.50304 22.03963 48.59697 20.27718 17.90607       29.94845 
1 1 1 11 5  88  o 77.73387 16.45209 0.8212315      0.1710854     0.9974874      0.2468301     0.6582535      0.2373509     60.10265 22.31793 44.07603 19.55837 16.02661       29.67525 
1 1 1 11 5  89  o 41.89586 15.60402 0.3353649      0.1208388     0.3072179      0.1873202     0.3554268      0.1581443     31.13574 14.95861 35.78059 15.91688 -4.644848      21.84278 
1 1 1 11 5  90  o 28.86405 12.89008 0.1908114      0.1047982     0.2084834      0.1639235     0.1785958      0.1362878     25.67564 12.68330 25.94024 12.53635 -0.2645988     17.83328 
1 1 1 11 5  91  o 24.43151 11.53841 0.1771573      0.1020993     0.1750631      0.1598477     0.1786005      0.1326943     21.65950 10.95269 22.54549 11.18583 -0.8859959     15.65517 
1 1 1 11 5  92  o 14.74956 7.447173 -0.4404050E-01 0.7225098E-01 0.7187688E-01  0.1195048     -0.1108211     0.9070607E-01 17.77443 9.038450 14.38317 7.361174 3.391255       11.65678 
1 1 1 11 5  93  o 14.72365 7.495506 0.1326897E-01  0.8391905E-01 0.1390192      0.1345410     -0.6681000E-01 0.1073642     16.03404 8.246160 13.98840 7.202718 2.045638       10.94889 
1 1 1 11 5  94  o 12.72769 6.533677 -0.1340825E-01 0.7739621E-01 -0.3760362E-01 0.1246232     0.1782823E-02  0.9874767E-01 12.93572 6.705054 13.09098 6.748546 -0.1552649     9.513182 
1 1 1 11 5  95  o 13.14365 6.774571 0.1472169      0.9887024E-01 0.2801722      0.1557252     0.5742897E-01  0.1279720     12.95698 6.732855 12.22325 6.346680 0.7337303      9.252659 
1 1 1 11 5  96  o 11.26891 5.851069 0.1160668      0.1085732     0.1337508      0.1544902     0.9880862E-01  0.1526182     11.06334 5.759112 10.98269 5.717158 0.8064556E-01  8.115003 
1 1 1 11 5  97  o 9.851351 5.126852 0.1009972      0.1144751     0.1457910      0.1779380     0.6936538E-01  0.1495276     9.753413 5.078962 9.684510 5.043372 0.6890297E-01  7.157615 
1 1 1 11 5  98  o 7.548115 3.928733 -0.1504212     0.6930621E-01 -0.1379230     0.1322102     -0.1551571     0.8138471E-01 8.064718 4.199188 7.710925 4.014807 0.3537931      5.809635 
1 1 1 11 5  99  o 7.305735 3.804286 0.1438066      0.1030229     0.1501953      0.1612252     0.1393977      0.1339339     7.188012 3.735280 7.216362 3.754409 -0.2835035E-01 5.296027 
1 1 1 11 5  100 o 6.084164 3.165316 0.3979069E-01  0.9573616E-01 0.3720007      0.1704378     -0.1133423     0.1157162     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 5  101 o ?        ?        0.7196308E-01  0.1114709     0.2361249      0.1746362     -0.4090936E-01 0.1448079     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 5  102 o ?        ?        0.1118643      0.1077070     0.3067780      0.1523326     -0.8298796E-01 0.1523087     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 5  103 o ?        ?        -0.1533793E-01 0.8061711E-01 -0.1173564     0.1131797     0.8972924E-01  0.1148584     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 5  104 o ?        ?        0.8845283E-01  0.1044561     0.2355856E-01  0.1572940     0.1396494      0.1397107     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 5  105 f ?        ?        0.1233277E-01  0.9584668E-01 -0.3637147E-01 0.1591076     0.4007382E-01  0.1200795     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 6  0   o 160.9921 26.41846 1.997439       0.5397630     0.000000       0.000000      1.997439       0.5397630     160.9921 26.41846 160.9921 26.41846 0.000000       0.000000 
1 1 1 11 6  1   o 272.9914 17.00157 5.359382       0.6376984     3.361230       0.8752506     7.620252       0.9310135     205.8804 31.81344 322.3882 21.02926 -116.5077      38.13561 
1 1 1 11 6  2   o 324.3411 16.88792 7.554040       0.7537236     6.307861       1.047971      8.889435       1.084837      288.1927 26.63603 346.5435 22.79817 -58.35077      35.06044 
1 1 1 11 6  3   o 327.5995 16.89124 7.706466       0.7614865     8.203235       1.084075      7.222628       1.069874      331.8333 23.81772 309.9234 25.21873 21.90988       34.68816 
1 1 1 11 6  4   o 213.4833 24.46970 3.427816       0.7082989     3.427816       0.7082989     0.000000       0.000000      213.4833 24.46970 ?        ?        0.000000       24.46970 
1 1 1 11 6  5   o 316.7858 24.38356 7.505832       1.058402      7.505832       1.058402      0.000000       0.000000      316.7858 24.38356 ?        ?        0.000000       24.38356 
1 1 1 11 6  6   o 362.5200 24.49726 9.827104       1.219078      9.827104       1.219078      0.000000       0.000000      362.5200 24.49726 ?        ?        0.000000       24.49726 
1 1 1 11 6  7   o 336.4186 16.95197 8.129347       0.7849481     8.129347       0.7849481     0.000000       0.000000      336.4186 16.95197 ?        ?        0.000000       16.95197 
1 1 1 11 6  8   o 134.8050 17.14251 1.321640       0.3118765     1.321640       0.3118765     0.000000       0.000000      134.8050 17.14251 ?        ?        0.000000       17.14251 
1 1 1 11 6  9   o 131.4530 13.73126 1.235059       0.2455619     1.235059       0.2455619     0.000000       0.000000      131.4530 13.73126 ?        ?        0.000000       13.73126 
1 1 1 11 6  10  o 190.4448 13.50311 2.576633       0.3527899     2.648296       0.4300773     2.429221       0.6168280     191.8284 16.39407 178.5203 25.76904 13.30807       30.54193 
1 1 1 11 6  11  o 145.4154 13.73558 1.508785       0.2725343     1.328009       0.3300742     1.896022       0.4830928     134.6935 18.21425 159.1301 22.62266 -24.43652      29.04382 
1 1 1 11 6  12  f 142.2673 13.80509 1.445230       0.2677817     1.526626       0.3266056     1.278296       0.4677276     145.2233 16.58475 127.8849 27.31697 17.33847       31.95733 
1 1 1 11 6  13  o 220.5577 11.68894 3.428921       0.3547176     3.099477       0.4057885     4.496185       0.7303728     208.6554 14.16815 246.8063 21.65014 -38.15091      25.87402 
1 1 1 11 6  14  o 167.6160 13.69693 2.000589       0.3142423     2.188355       0.3831013     1.614454       0.5493822     174.3726 16.09256 143.2626 28.77098 31.10992       32.96573 
1 1 1 11 6  15  o 315.0423 13.62447 7.023285       0.5926884     6.732531       0.7188910     7.640327       1.047268      305.9113 17.08711 319.9483 23.87702 -14.03693      29.36122 
1 1 1 11 6  16  o 120.5079 14.16949 1.042567       0.2312783     1.328811       0.2797017     0.4237696      0.4112448     135.8819 15.16590 78.88795 28.89208 56.99392       32.63061 
1 1 1 11 6  17  o 209.5907 13.60395 3.120606       0.3915797     3.402592       0.4771032     2.538609       0.6854240     217.7531 15.97913 180.6881 28.40977 37.06493       32.59521 
1 1 1 11 6  18  o 244.5775 13.62179 4.245688       0.4582071     3.817591       0.5524729     5.189093       0.8201418     229.8232 17.54170 264.3247 22.69049 -34.50154      28.68048 
1 1 1 11 6  19  o 188.2677 13.73821 2.522031       0.3546790     2.822229       0.4323194     1.903989       0.6203111     198.2243 15.92916 154.9558 30.07570 43.26849       34.03360 
1 1 1 11 6  20  o 174.1475 13.73132 2.159747       0.3275140     2.304169       0.3963600     1.848896       0.5814989     178.8540 16.22580 153.6451 28.45692 25.20888       32.75779 
1 1 1 11 6  21  o 165.3382 12.03951 1.934230       0.2729773     1.689373       0.3767586     2.204818       0.3960605     152.0442 18.31396 174.7425 16.61433 -22.69833      24.72725 
1 1 1 11 6  22  o 178.6389 11.88809 2.255186       0.2915675     2.448291       0.4073914     2.052408       0.4174708     184.4101 16.16194 167.7459 18.32129 16.66412       24.43109 
1 1 1 11 6  23  o 135.8864 12.20655 1.310755       0.2265944     1.045028       0.3132167     1.602541       0.3282148     118.5130 19.84135 148.8957 16.22658 -30.38269      25.63164 
1 1 1 11 6  24  o 132.8710 12.24313 1.253990       0.2220996     1.363726       0.3091346     1.136915       0.3193049     137.0403 16.68068 123.9395 19.28472 13.10083       25.49795 
1 1 1 11 6  25  o 274.2500 11.78268 5.293135       0.4461990     5.486663       0.6288349     5.096891       0.6332293     276.2397 16.56233 265.6975 17.35513 10.54221       23.98982 
1 1 1 11 6  26  o 158.5853 11.99041 1.780751       0.2606241     1.878678       0.3655000     1.679453       0.3717355     161.0894 16.67305 151.5928 18.11794 9.496643       24.62215 
1 1 1 11 6  27  o 177.3885 11.95067 2.225774       0.2910167     2.174982       0.4068448     2.278991       0.4164425     173.1344 17.24753 177.2677 17.23100 -4.133347      24.38000 
1 1 1 11 6  28  o 119.6030 12.44343 1.019587       0.2024952     1.017535       0.2805266     1.021819       0.2925977     117.6128 17.83282 117.5386 18.65107 0.7421875E-01  25.80450 
1 1 1 11 6  29  o 132.2852 12.34652 1.244797       0.2229179     1.293674       0.3102933     1.192665       0.3204593     133.0684 17.29622 127.0507 18.83723 6.017639       25.57343 
1 1 1 11 6  30  o 123.8243 12.35330 1.092226       0.2083968     1.241229       0.2907091     0.9347109      0.2988966     130.5958 16.48844 111.6490 20.12824 18.94674       26.01951 
1 1 1 11 6  31  o 103.0095 12.97616 0.7618076      0.1804745     0.6156994      0.2491649     0.9230600      0.2617596     90.03622 20.50090 111.9461 17.50738 -21.90983      26.95914 
1 1 1 11 6  32  o 116.2475 12.69891 0.9662043      0.2005236     0.9951807      0.2788476     0.9351724      0.2885687     116.0915 17.97621 111.8995 19.37778 4.191986       26.43185 
1 1 1 11 6  33  o 224.6288 10.56205 3.543758       0.3276059     3.614690       0.5180656     3.496493       0.4228964     223.3676 16.92247 221.3595 13.90626 2.008118       21.90329 
1 1 1 11 6  34  o 101.9459 11.58360 0.7414950      0.1601664     0.9204352      0.2550780     0.6250215      0.2057940     111.8251 17.05964 91.84052 16.84874 19.98460       23.97731 
1 1 1 11 6  35  o 97.53087 10.35420 0.6751959      0.1373104     0.7325670      0.1917150     0.6147686      0.1967553     100.4879 14.21323 91.24393 16.21041 9.244019       21.55906 
1 1 1 11 6  36  o 103.9186 10.38499 0.7660484      0.1470221     0.8765818      0.2049107     0.6487731      0.2110674     110.1846 13.76864 93.46391 16.98001 16.72068       21.86083 
1 1 1 11 6  37  o 220.0027 9.663451 3.395309       0.2935609     3.169223       0.4103784     3.632244       0.4201081     210.1962 14.22280 225.4656 13.55708 -15.26949      19.64898 
1 1 1 11 6  38  o 143.6122 10.89062 1.461631       0.2143566     1.478748       0.3335032     1.449581       0.2798087     141.7075 17.41012 141.6237 14.51325 0.8383179E-01  22.66598 
1 1 1 11 6  39  f 119.9530 12.24770 1.030489       0.2000176     0.9498246      0.2865150     1.107172       0.2793560     112.2876 19.16693 122.4523 16.97850 -10.16468      25.60548 
1 1 1 11 6  40  o 100.0494 12.70158 0.7228203      0.1715194     0.7062588      0.2017363     0.7660189      0.3258135     97.88812 15.43656 98.15254 24.19426 -0.2644196     28.69930 
1 1 1 11 6  41  o 149.6045 12.15390 1.601176       0.2489015     1.756014       0.2914225     1.183657       0.4785440     156.0126 13.66551 118.8847 29.33196 37.12787       32.35908 
1 1 1 11 6  42  o 100.1699 11.79789 0.7222189      0.1600558     0.8521821      0.2054228     0.5214197      0.2553402     108.0313 14.10773 81.29393 22.14583 26.73739       26.25768 
1 1 1 11 6  43  o 130.4202 12.26951 1.223639       0.2183608     1.247730       0.3021042     1.197284       0.3159807     129.2021 17.37396 125.7501 18.77252 3.452049       25.57854 
1 1 1 11 6  44  o 107.3532 11.35970 0.8281509      0.1658332     0.9372396      0.2550034     0.7482063      0.2182985     111.7159 17.07278 99.91814 16.39077 11.79780       23.66722 
1 1 1 11 6  45  f 151.0593 10.78688 1.628685       0.2235198     1.875743       0.3467128     1.452976       0.2923928     159.1776 15.99052 140.3185 15.34077 18.85912       22.15933 
1 1 1 11 6  46  o 63.63514 13.99504 0.3042642      0.1196281     0.3722566      0.1606639     0.2196675      0.1792110     69.56980 16.89353 55.35688 19.19964 14.21292       25.57377 
1 1 1 11 6  47  o 63.21195 13.42882 0.2994868      0.1135959     0.3632896      0.1535235     0.2222926      0.1688682     68.74289 16.40242 55.07886 18.65152 13.66403       24.83784 
1 1 1 11 6  48  o 98.65710 11.89753 0.7087643      0.1588070     0.7499160      0.2116625     0.6557630      0.2402108     99.58998 15.92863 91.00040 19.68864 8.589577       25.32516 
1 1 1 11 6  49  o 128.7349 11.21214 1.196893       0.1973171     1.096243       0.2608594     1.331495       0.3016639     120.4412 16.08742 132.3277 16.89514 -11.88649      23.32919 
1 1 1 11 6  50  o 99.57594 12.19097 0.7269005      0.1641209     0.7650699      0.2188185     0.6778160      0.2481411     99.96198 16.42353 91.78558 20.13263 8.176399       25.98182 
1 1 1 11 6  51  o 158.5453 11.13846 1.817430       0.2422989     1.834118       0.3194828     1.794834       0.3717506     156.5011 14.96650 152.2101 18.03865 4.291016       23.43904 
1 1 1 11 6  52  o 100.7415 14.64681 0.7666658      0.1977782     0.8312885      0.2998798     0.7169173      0.2631139     99.68662 22.33910 93.39300 20.92210 6.293625       30.60670 
1 1 1 11 6  53  o 65.24075 16.38765 0.3349764      0.1474340     0.4346405      0.2319973     0.2674584      0.1909516     72.05253 21.60552 58.49353 19.83349 13.55899       29.32858 
1 1 1 11 6  54  o 120.7760 10.90954 1.060840       0.1799747     1.172194       0.2550060     0.9503253      0.2540420     124.1930 15.18654 110.2639 17.25073 13.92912       22.98301 
1 1 1 11 6  55  o 97.69350 11.93716 0.7047146      0.1576797     0.6940957      0.2229134     0.7153487      0.2230721     93.36675 17.94235 95.01466 17.65247 -1.647911      25.17017 
1 1 1 11 6  56  o 137.3908 11.93248 1.387546       0.2241257     1.678520       0.2855691     0.9208298      0.3616679     149.5490 13.99157 100.7145 25.86993 48.83453       29.41117 
1 1 1 11 6  57  o 75.72611 15.03351 0.4448145      0.1516517     0.3662068      0.1881545     0.5905623      0.2562022     66.64157 19.32190 82.88715 22.01380 -16.24557      29.29067 
1 1 1 11 6  58  o 148.9721 11.85636 1.632343       0.2418716     1.629061       0.3044197     1.637963       0.3983259     145.8956 15.34076 140.4589 21.19732 5.436691       26.16611 
1 1 1 11 6  59  o 159.2033 10.53329 1.840819       0.2302465     1.938679       0.3251252     1.742363       0.3261125     159.5380 14.93241 150.2075 15.96794 9.330490       21.86211 
1 1 1 11 6  60  o 86.58813 13.49298 0.5687166      0.1560691     0.7048010      0.2390172     0.4675716      0.2060616     92.58007 19.32155 74.78725 19.68534 17.79282       27.58323 
1 1 1 11 6  61  o 77.78252 14.42635 0.4668220      0.1492394     0.5919945      0.2310204     0.3771734      0.1955094     83.97825 20.17471 67.15278 19.76104 16.82547       28.24036 
1 1 1 11 6  62  o 118.7740 13.86357 1.067060       0.2230923     1.412981       0.4284411     0.9383789      0.2613133     125.0027 25.68090 108.1011 18.14949 16.90165       31.44698 
1 1 1 11 6  63  o 74.70480 18.02980 0.4549395      0.1838593     0.4853027      0.3122533     0.4388259      0.2274732     73.06912 25.34334 71.48355 21.38454 1.585571       33.15997 
1 1 1 11 6  64  o 74.87821 16.09295 0.4435223      0.1614372     0.3072332      0.2299863     0.5759015      0.2266634     61.28510 21.71302 82.94783 20.01858 -21.66273      29.53301 
1 1 1 11 6  65  o 81.27653 14.12961 0.5064352      0.1528181     0.5691078      0.2359120     0.4611235      0.2005931     81.87444 20.81996 74.47387 19.33568 7.400574       28.41372 
1 1 1 11 6  66  o 77.87023 14.48616 0.4682814      0.1500298     0.4031970      0.2313600     0.5155107      0.1970859     68.51556 21.76059 79.43956 18.33875 -10.92400      28.45757 
1 1 1 11 6  67  o 56.00224 16.03379 0.2491313      0.1303016     0.2491848      0.2001468     0.2490920      0.1716637     56.37455 20.22529 55.91647 18.80590 0.4580879      27.61746 
1 1 1 11 6  68  o 87.84020 13.03685 0.5837761      0.1533282     0.7372108      0.2178322     0.4331088      0.2158589     96.16999 17.02695 71.07877 20.72071 25.09122       26.81911 
1 1 1 11 6  69  o 99.95468 13.65456 0.7614114      0.1835302     0.7784966      0.2372176     0.7359347      0.2896726     97.68390 18.25808 90.67135 23.07801 7.012550       29.42706 
1 1 1 11 6  70  o 86.19332 16.02885 0.5917468      0.1837501     0.6242946      0.2579551     0.5582185      0.2618116     83.74030 22.01690 78.38295 22.81130 5.357353       31.70330 
1 1 1 11 6  71  o 104.6011 13.05661 0.8340123      0.1844772     0.9363774      0.2916147     0.7657148      0.2381968     103.6864 21.08614 95.70088 18.69577 7.985519       28.18079 
1 1 1 11 6  72  o 43.72810 15.40976 0.1434669      0.1156891     0.8772527E-01  0.1810614     0.1819243      0.1503923     43.13658 18.07442 48.45751 17.51367 -5.320927      25.16770 
1 1 1 11 6  73  o 70.20599 15.65952 0.4052184      0.1479448     0.3268145      0.2300878     0.4604817      0.1931717     59.81591 21.65590 72.20962 19.08508 -12.39371      28.86553 
1 1 1 11 6  74  o 71.95602 15.47974 0.4287213      0.1492413     0.3730013      0.2309846     0.4686509      0.1955352     62.24720 21.78549 71.99200 19.28301 -9.744797      29.09368 
1 1 1 11 6  75  o 49.69907 15.92515 0.2097026      0.1237020     0.2105870      0.1906321     0.2090593      0.1625797     49.94198 19.35959 49.48662 18.15973 0.4553566      26.54373 
1 1 1 11 6  76  o 43.83734 16.28697 0.1560305      0.1314882     0.1283268      0.2490914     0.1667320      0.1548151     46.12851 20.27092 45.26088 17.47392 0.8676300      26.76281 
1 1 1 11 6  77  o 45.88517 16.81716 0.1844382      0.1393670     0.1789872      0.2631712     0.1865626      0.1642959     47.69367 20.90023 46.24079 17.95928 1.452881       27.55641 
1 1 1 11 6  78  o 29.60641 12.98962 0.1495020E-01  0.1019243     -0.1370027     0.1562488     0.1275036      0.1344749     28.33521 13.62561 40.20652 16.05330 -11.87132      21.05625 
1 1 1 11 6  79  o 39.42048 15.93240 0.1289717      0.1342241     0.1777207      0.1889892     0.7935432E-01  0.1906649     43.56291 18.37029 38.53959 17.28605 5.023315       25.22449 
1 1 1 11 6  80  o 32.48383 13.98915 0.5842221E-01  0.1136940     0.3400582E-01  0.1606040     0.8295056E-01  0.1609719     33.94287 15.47888 36.36098 16.12224 -2.418110      22.35000 
1 1 1 11 6  81  o 49.59815 16.64288 0.2762777      0.1344426     0.3618199      0.1759194     0.1561672      0.2084557     52.74675 18.95769 39.17699 17.77619 13.56976       25.98821 
1 1 1 11 6  82  o 73.45089 15.94243 0.5825939      0.1570514     0.5792239      0.2224693     0.5859418      0.2217411     58.17564 21.25874 58.78637 21.26311 -0.6107330     30.06749 
1 1 1 11 6  83  o 17.45859 8.502239 -0.7794425E-01 0.6591137E-01 -0.5067755E-02 0.1109094     -0.1177350     0.8195312E-01 25.71407 12.10795 18.24460 9.004142 7.469469       15.08897 
1 1 1 11 6  84  o 22.73046 10.48300 0.6796259E-02  0.7651101E-01 -0.3095564E-01 0.1198980     0.3273001E-01  0.9937459E-01 24.16665 11.69830 25.75618 11.90244 -1.589529      16.68887 
1 1 1 11 6  85  o 17.42589 8.563083 -0.7435403E-01 0.7150393E-01 0.6433863E-02  0.1082762     -0.1368345     0.9522083E-01 23.55933 11.33244 18.06536 9.042866 5.493969       14.49820 
1 1 1 11 6  86  o 27.95546 12.46025 0.1363927      0.9741970E-01 0.2815033      0.1481734     0.2590622E-01  0.1292931     31.26992 14.47978 22.96985 11.33120 8.300072       18.38641 
1 1 1 11 6  87  o 17.16058 8.526305 -0.4699094E-01 0.7817759E-01 -0.7392986E-01 0.1201979     -0.2723957E-01 0.1029214     18.64763 9.437618 18.99256 9.491160 -0.3449287     13.38472 
1 1 1 11 6  88  o 16.05382 8.012462 -0.2809803E-01 0.7233144E-01 -0.7905710E-01 0.1121585     0.8186822E-02  0.9464201E-01 16.60936 8.474416 17.80152 8.925908 -1.192160      12.30803 
1 1 1 11 6  89  o 18.57701 9.244607 0.1181919      0.9338417E-01 0.1621552      0.1437827     0.8611691E-01  0.1228129     17.94134 9.188723 17.28134 8.821700 0.6599998      12.73794 
1 1 1 11 6  90  o 12.72911 6.497663 -0.5237074E-01 0.6657273E-01 0.1363936      0.1051326     -0.1787259     0.8601498E-01 16.06289 8.196422 11.92568 6.153914 4.137213       10.24949 
1 1 1 11 6  91  o 12.65736 6.487418 0.7244423E-02  0.7310440E-01 -0.1216862     0.1123395     0.1019458      0.9627919E-01 11.98160 6.214632 13.77608 7.079854 -1.794477      9.420508 
1 1 1 11 6  92  o 12.02558 6.212847 0.5517922E-01  0.9319957E-01 -0.2009096E-03 0.1284671     0.1167119      0.1354154     11.65268 6.056002 12.12520 6.300131 -0.4725218     8.738811 
1 1 1 11 6  93  o 10.98043 5.699902 0.9844331E-01  0.1008517     0.1263341      0.1400849     0.6843293E-01  0.1453104     10.84713 5.645308 10.67720 5.558404 0.1699343      7.922460 
1 1 1 11 6  94  o 9.455633 4.910411 0.3354470E-01  0.7789680E-01 0.9135459E-01  0.1197414     -0.8871404E-02 0.1025673     9.536517 4.964861 9.262950 4.821002 0.2735672      6.920397 
1 1 1 11 6  95  o 8.102444 4.216496 0.4607357E-02  0.7648288E-01 -0.6722677E-01 0.1181679     0.5639466E-01  0.1003334     7.999362 4.165786 8.234935 4.288213 -0.2355728     5.978507 
1 1 1 11 6  96  o 6.999095 3.644990 0.1017247E-01  0.7601559E-01 -0.2655241E-02 0.1174707     0.1941362E-01  0.9970526E-01 6.983770 3.634330 7.011570 3.650863 -0.2780008E-01 5.151423 
1 1 1 11 6  97  o 5.981543 3.113258 0.1531164E-01  0.8431610E-01 -0.1109212     0.1292535     0.1088191      0.1112447     ?        ?        6.050148 3.144693 0.000000       3.144693 
1 1 1 11 6  98  o ?        ?        0.6951337E-01  0.9806248E-01 -0.1987773E-01 0.1339930     0.1726101      0.1438989     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 6  99  o ?        ?        -0.6062661E-01 0.7046541E-01 0.3626025E-01  0.9333755E-01 -0.1890335     0.1074529     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 6  100 o ?        ?        -0.3157403E-01 0.7644644E-01 -0.1520447E-01 0.1051336     -0.4993926E-01 0.1113579     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 6  101 o ?        ?        0.3229983E-01  0.9243941E-01 0.1392163      0.1408508     -0.4859384E-01 0.1225164     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 6  102 o ?        ?        0.6291262E-02  0.1022570     0.3187388E-01  0.1804672     -0.5806480E-02 0.1241018     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  0   o 130.9583 28.98440 1.397511       0.4582933     0.000000       0.000000      1.397511       0.4582933     130.9583 28.98440 130.9583 28.98440 0.000000       0.000000 
1 1 1 11 7  1   o 129.9098 17.73139 1.235741       0.3097631     1.489046       0.4400986     0.9870518      0.4360715     139.9888 23.60751 111.4116 28.29293 28.57723       36.84840 
1 1 1 11 7  2   o 83.43279 18.82453 0.5226878      0.2117134     0.7162702      0.2998230     0.3301737      0.2989947     96.60648 22.83659 69.53242 24.74408 27.07407       33.67164 
1 1 1 11 7  3   o 62.80086 18.40139 0.2914378      0.1698533     0.2067587      0.2370845     0.3807323      0.2434600     58.63227 21.85292 71.55769 22.26641 -12.92543      31.19845 
1 1 1 11 7  4   o 104.2674 18.27600 0.8055799      0.2535362     0.7218305      0.3513613     0.8965566      0.3662080     96.08139 25.89671 107.3615 25.14438 -11.28011      36.09542 
1 1 1 11 7  5   o 63.07882 21.91596 0.2726643      0.2335555     0.000000       0.000000      0.2726643      0.2335555     ?        ?        63.07882 21.91596 0.000000       21.91596 
1 1 1 11 7  6   o 142.5394 25.87617 1.570084       0.4905412     0.000000       0.000000      1.570084       0.4905412     ?        ?        142.5394 25.87617 0.000000       25.87617 
1 1 1 11 7  7   o 132.9743 26.07246 1.373136       0.4616168     0.000000       0.000000      1.373136       0.4616168     ?        ?        132.9743 26.07246 0.000000       26.07246 
1 1 1 11 7  8   o 116.9452 18.06589 1.007599       0.2823277     1.023776       0.3963848     0.9909419      0.4022226     114.5883 25.68687 112.3934 26.37135 2.194832       36.81390 
1 1 1 11 7  9   o 133.6170 17.87903 1.308177       0.3216001     1.086883       0.4510596     1.536991       0.4586580     116.9025 28.25604 141.8267 24.29424 -24.92424      37.26411 
1 1 1 11 7  10  o 77.97578 24.57969 0.4585844      0.2956166     0.000000       0.000000      0.4585844      0.2956166     ?        ?        77.97578 24.57969 0.000000       24.57969 
1 1 1 11 7  11  o 73.85793 18.42121 0.4098108      0.1872367     0.5252478      0.2532673     0.2706773      0.2780497     82.91125 21.82410 64.83716 23.75526 18.07410       32.25839 
1 1 1 11 7  12  o 105.1946 14.54642 0.8007683      0.2056401     0.7116401      0.2474123     0.9999250      0.3698376     97.52534 19.05567 113.7766 24.28034 -16.25126      30.86509 
1 1 1 11 7  13  f 79.36018 13.52587 0.4578363      0.1429049     0.4992620      0.1632206     0.3218066      0.2957716     82.56927 14.86245 68.77940 24.59604 13.78987       28.73774 
1 1 1 11 7  14  o 90.22776 15.26734 0.5955630      0.1834286     0.4585016      0.2194343     0.9134843      0.3342003     77.75679 20.24060 109.1794 22.89919 -31.42260      30.56231 
1 1 1 11 7  15  o 81.75025 15.58271 0.4922692      0.1694804     0.4255382      0.2024371     0.6486471      0.3098948     75.05840 19.39363 91.39474 24.18117 -16.33633      30.99745 
1 1 1 11 7  16  o 108.7143 14.61073 0.8553716      0.2137768     0.7160239      0.2571153     1.167423       0.3847608     97.50610 19.77320 123.4618 23.42641 -25.95574      30.65577 
1 1 1 11 7  17  o 96.39214 15.06893 0.6774169      0.1940015     0.6044173      0.2333057     0.8410049      0.3492535     89.51295 19.43292 103.8433 24.71424 -14.33035      31.43934 
1 1 1 11 7  18  o 53.42103 15.30662 0.2092056      0.1187091     0.2994221      0.1391541     -0.3193943E-01 0.2275056     63.43888 15.91301 44.26078 19.41326 19.17810       25.10176 
1 1 1 11 7  19  o 98.22923 14.90453 0.7026582      0.1958132     0.7690983      0.2350846     0.5521140      0.3538677     102.0024 17.30952 84.54702 26.91842 17.45543       32.00345 
1 1 1 11 7  20  o 152.4394 14.05186 1.666119       0.2924504     1.528254       0.3518238     1.974364       0.5260734     144.2241 18.06261 160.4612 24.52163 -16.23709      30.45601 
1 1 1 11 7  21  o 96.88493 15.04780 0.6850886      0.1947796     0.7686033      0.2315316     0.4828599      0.3602881     102.0194 17.03655 80.21915 27.24327 21.80020       32.13160 
1 1 1 11 7  22  f 129.6217 14.31379 1.210909       0.2519209     1.210515       0.3036824     1.211780       0.4511262     128.2626 17.61160 123.4696 27.19545 4.792946       32.40001 
1 1 1 11 7  23  o 151.2830 14.02368 1.643035       0.2896168     1.843692       0.3509085     1.214324       0.5129187     159.3512 16.17184 121.5255 30.58861 37.82576       34.60045 
1 1 1 11 7  24  o 175.1068 13.93691 2.197246       0.3341934     2.234415       0.4048375     2.117732       0.5921194     175.0852 16.95783 164.0698 27.08114 11.01541       31.95241 
1 1 1 11 7  25  o 82.56122 15.83728 0.5050593      0.1739809     0.6877387      0.2076366     0.7452746E-01  0.3187585     96.57047 16.14088 56.41381 23.82724 40.15665       28.77960 
1 1 1 11 7  26  o 59.79691 16.62486 0.2666556      0.1422351     0.2311832      0.1664784     0.3625423      0.2737104     56.77288 18.50010 70.26513 23.74599 -13.49224      30.10192 
1 1 1 11 7  27  f 26.87432 11.31588 0.7634652E-02  0.7153764E-01 0.3332376E-01  0.7654752E-01 -0.1695719     0.2010465     30.22143 12.09586 35.62939 16.62280 -5.407965      20.55790 
1 1 1 11 7  28  o 75.42800 16.26632 0.4258149      0.1644361     0.4849149      0.1934819     0.2721004      0.3120355     80.07262 17.94370 65.75306 24.94912 14.31956       30.73166 
1 1 1 11 7  29  o 68.96899 24.74156 0.3363300      0.2995051     0.000000       0.000000      0.3363300      0.2995051     ?        ?        68.96899 24.74156 0.000000       24.74156 
1 1 1 11 7  30  o 62.32176 23.52052 0.2454287      0.2763848     0.000000       0.000000      0.2454287      0.2763848     ?        ?        62.32176 23.52052 0.000000       23.52052 
1 1 1 11 7  31  o 125.8010 18.97675 1.191922       0.3193927     0.000000       0.000000      1.191922       0.3193927     ?        ?        125.8010 18.97675 0.000000       18.97675 
1 1 1 11 7  32  o 112.1888 26.98972 1.034037       0.4130154     0.000000       0.000000      1.034037       0.4130154     ?        ?        112.1888 26.98972 0.000000       26.98972 
1 1 1 11 7  33  o 119.6135 18.00069 1.075474       0.2880958     1.077923       0.4031048     1.072917       0.4118954     114.9972 25.99654 114.3301 26.59266 0.6671143      37.18857 
1 1 1 11 7  34  o 59.28759 15.71775 0.2653639      0.1307609     0.3051039      0.1764484     0.2169521      0.1947509     63.26241 18.81341 56.14324 19.97105 7.119167       27.43697 
1 1 1 11 7  35  o 72.37739 15.03050 0.3932433      0.1453032     0.4626479      0.1972727     0.3109370      0.2148273     77.32017 18.68510 64.13860 21.02113 13.18156       28.12509 
1 1 1 11 7  36  o 183.7046 12.35484 2.427015       0.3115751     2.499250       0.4349616     2.350884       0.4465338     182.9013 17.43352 176.4368 18.60923 6.464508       25.49963 
1 1 1 11 7  37  o 126.5551 13.07572 1.164923       0.2252043     1.092023       0.3115060     1.244744       0.3259594     118.8649 19.66677 127.4023 19.11894 -8.537369      27.42838 
1 1 1 11 7  38  o 109.4856 13.53782 0.8793942      0.2003041     0.9715661      0.2779152     0.7797558      0.2889525     112.4507 18.54488 98.63837 21.79563 13.81229       28.61751 
1 1 1 11 7  39  o 151.8969 12.72293 1.675832       0.2643964     1.891781       0.3721993     1.455859       0.3756506     158.2530 17.31529 136.2776 20.60614 21.97539       26.91528 
1 1 1 11 7  40  o 86.73355 12.93912 0.5550746      0.1502228     0.5778159      0.2444617     0.5412769      0.1904174     84.59326 21.02090 83.78116 17.03989 0.8121033      27.05987 
1 1 1 11 7  41  o 118.8876 10.36647 1.015157       0.1684760     1.015673       0.2372332     1.014632       0.2393025     116.4805 15.10543 116.3252 15.26691 0.1552505      21.47679 
1 1 1 11 7  42  o 75.35938 11.51766 0.4168949      0.1160450     0.4623850      0.1625786     0.3696465      0.1656905     77.65647 15.70143 68.60883 17.44925 9.047646       23.47363 
1 1 1 11 7  43  o 129.0281 10.23464 1.196684       0.1808488     1.359924       0.2551871     1.031974       0.2563344     135.4659 13.83662 116.2482 16.42676 19.21773       21.47768 
1 1 1 11 7  44  o 179.4406 11.05472 2.326181       0.2725759     2.392400       0.4360462     2.283710       0.3492151     175.5229 18.25845 174.9675 14.58729 0.5554810      23.37007 
1 1 1 11 7  45  o 102.1737 12.31003 0.7695557      0.1701783     0.5683233      0.2714339     0.8998863      0.2184431     81.54886 23.07052 109.0760 14.89262 -27.52711      27.45977 
1 1 1 11 7  46  o 68.98022 13.56686 0.3612350      0.1246190     0.2612917      0.2059552     0.4189608      0.1565239     58.26893 20.55774 73.30771 15.91903 -15.03878      26.00070 
1 1 1 11 7  47  o 135.0775 10.37745 1.318928       0.1920784     1.549772       0.2721196     1.089705       0.2711627     144.0491 13.85158 118.3143 17.09361 25.73474       22.00131 
1 1 1 11 7  48  o 102.8976 10.99346 0.7733550      0.1537813     0.8231342      0.2167068     0.7228593      0.2182608     103.4492 15.66065 95.91311 17.10752 7.536110       23.19317 
1 1 1 11 7  49  o 107.2094 10.90066 0.8390077      0.1591258     0.8031588      0.2250147     0.8748716      0.2250609     101.4091 16.64707 106.5160 15.77929 -5.106834      22.93711 
1 1 1 11 7  50  f 62.34263 14.15551 0.3004053      0.1190746     0.3154372      0.1469061     0.2716137      0.2033130     62.91571 16.65045 58.57688 20.44243 4.338837       26.36532 
1 1 1 11 7  51  o 65.60849 14.34725 0.3332621      0.1263561     0.4028557      0.1568890     0.2047835      0.2131687     71.31203 16.28975 53.87860 20.57869 17.43343       26.24573 
1 1 1 11 7  52  o 58.83393 13.58055 0.2667598      0.1080902     0.2920706      0.1521496     0.2409688      0.1535859     60.26945 17.34650 55.20899 17.75048 5.060455       24.81895 
1 1 1 11 7  53  o 77.98878 12.27205 0.4558435      0.1277895     0.4274280      0.1814111     0.4838311      0.1800399     72.36028 18.17935 77.65749 17.23947 -5.297211      25.05371 
1 1 1 11 7  54  o 126.0789 10.53105 1.157520       0.1816595     1.236987       0.2603587     1.082134       0.2535857     126.9981 15.14570 118.0713 15.96328 8.926811       22.00497 
1 1 1 11 7  55  o 123.0160 10.66804 1.104066       0.1794167     1.256225       0.2572061     0.9598566      0.2503979     128.2428 14.79630 110.3074 16.98444 17.93539       22.52558 
1 1 1 11 7  56  o 118.0395 11.90446 1.030294       0.1913831     0.9775658      0.2533444     1.100381       0.2920838     111.2971 17.02640 116.7004 18.76148 -5.403282      25.33557 
1 1 1 11 7  57  o 90.78138 14.81636 0.6351008      0.1793198     0.4838915      0.2638961     0.7648101      0.2444158     73.97134 23.20913 96.80227 18.96379 -22.83092      29.97147 
1 1 1 11 7  58  o 107.3419 13.90494 0.8730772      0.2012559     0.8224819      0.2967454     0.9161717      0.2738668     97.50525 22.49796 105.7882 19.46568 -8.282936      29.75014 
1 1 1 11 7  59  o 111.1346 12.06021 0.9152514      0.1821024     0.9240651      0.2418103     0.9037038      0.2767811     108.4872 16.67587 104.7285 19.86649 3.758682       25.93766 
1 1 1 11 7  60  o 89.07233 13.41932 0.6007538      0.1599262     0.5024022      0.2131065     0.7275551      0.2419734     77.46481 19.83672 94.14011 19.26371 -16.67529      27.65115 
1 1 1 11 7  61  o 136.5428 11.69060 1.373487       0.2182909     1.349068       0.2876564     1.406641       0.3351857     131.7063 16.15598 131.8817 18.95055 -0.1754150     24.90259 
1 1 1 11 7  62  o 47.63155 16.26023 0.1703358      0.1283533     0.1415753      0.1549462     0.2332284      0.2291301     46.23170 17.57166 55.94947 21.34341 -9.717773      27.64606 
1 1 1 11 7  63  o 43.34619 15.46086 0.1332598      0.1167955     0.2348685      0.1409599     -0.8927579E-01 0.2086075     54.26085 16.95238 37.74425 17.37162 16.51661       24.27254 
1 1 1 11 7  64  o 55.42323 17.45729 0.2481746      0.1491409     0.3082380      0.1857580     0.1392297      0.2501761     60.72219 19.52109 50.92968 21.28528 9.792515       28.88141 
1 1 1 11 7  65  o 55.64532 15.95424 0.2495966      0.1289291     0.2528651      0.1830065     0.2463757      0.1816674     55.71650 19.39750 55.16383 19.31954 0.5526733      27.37713 
1 1 1 11 7  66  o 72.08774 13.11880 0.4014198      0.1257742     0.5028489      0.1768533     0.2976203      0.1789078     78.40018 16.83892 59.23452 19.16983 19.16567       25.51532 
1 1 1 11 7  67  o 88.80785 12.31764 0.6015841      0.1469815     0.5844187      0.2065541     0.6191917      0.2091977     82.81338 18.52665 85.55149 18.26456 -2.738113      26.01598 
1 1 1 11 7  68  o 107.9985 12.63419 0.8967983      0.1848488     0.9362952      0.2865204     0.8686382      0.2419312     101.8525 21.06775 101.3740 17.93977 0.4784698      27.67103 
1 1 1 11 7  69  o 62.54258 15.42683 0.3258399      0.1323973     0.3682811      0.2009423     0.2932800      0.1760026     62.91821 20.31126 57.28505 19.03925 5.633156       27.83955 
1 1 1 11 7  70  o 58.65671 16.63363 0.2995563      0.1409258     0.4649767      0.1991318     0.1335786      0.1994670     70.51884 19.69410 45.38326 18.98997 25.13558       27.35830 
1 1 1 11 7  71  o 55.29618 18.17113 0.2819358      0.1604853     0.3690798      0.2753519     0.2371037      0.1974987     58.73011 23.12150 51.13390 19.73771 7.596218       30.40034 
1 1 1 11 7  72  o 31.42864 13.85181 0.1135718E-01  0.1170935     0.1143051      0.1947926     -0.4688941E-01 0.1465207     42.73412 18.35571 31.33379 14.47038 11.40033       23.37358 
1 1 1 11 7  73  o 75.30996 16.96250 0.5232263      0.1721537     0.4488674      0.2391562     0.6031923      0.2480094     62.00105 22.12291 72.64178 22.45211 -10.64074      31.52016 
1 1 1 11 7  74  o 61.02525 17.35247 0.3680583      0.1531540     0.4834307      0.2129515     0.2444439      0.2204267     64.81750 20.90784 47.93921 20.00279 16.87830       28.93526 
1 1 1 11 7  75  o 23.89621 11.24011 -0.5776431E-01 0.9512344E-01 -0.4618301E-01 0.1220500     -0.7568458E-01 0.1518208     27.55706 12.88811 29.14020 13.85239 -1.583143      18.92068 
1 1 1 11 7  76  o 40.46310 16.26322 0.1677587      0.1390163     -0.9993289E-01 0.1730568     0.6547423      0.2334148     29.21259 14.11992 69.06785 21.84862 -39.85526      26.01411 
1 1 1 11 7  77  o 39.49827 15.83151 0.1736836      0.1313360     0.3788275      0.1804169     -0.5757791E-01 0.1915578     51.85431 19.11465 30.47766 14.76132 21.37664       24.15092 
1 1 1 11 7  78  o 42.51568 15.97661 0.2297153      0.1272317     0.1663321      0.1640922     0.3252646      0.2014722     36.47078 16.21917 43.18320 18.60942 -6.712425      24.68546 
1 1 1 11 7  79  o 38.33561 15.76260 0.2161602      0.1341246     0.3250176      0.1843253     0.9366336E-01  0.1955321     40.99428 17.73263 31.51037 15.17508 9.483908       23.33944 
1 1 1 11 7  80  o 36.89567 16.67427 0.3162978      0.1812722     0.4259770      0.3178512     0.2634296      0.2206781     33.53155 16.74512 33.06163 15.97177 0.4699135      23.14079 
1 1 1 11 7  81  o 36.38565 16.87293 0.4547963      0.2022640     1.052078       0.3639320     0.1878490      0.2433007     35.69939 17.84118 28.24058 14.18104 7.458803       22.79057 
1 1 1 11 7  82  o 30.84155 14.31066 0.2880033      0.1458207     0.3852218      0.2022801     0.1828203      0.2104028     29.35395 14.42008 25.38634 12.80433 3.967609       19.28444 
1 1 1 11 7  83  o 23.58766 11.42103 0.1403068      0.1144696     0.2608349      0.1705009     0.4139727E-01  0.1544548     24.30266 12.15548 20.82139 10.55529 3.481272       16.09875 
1 1 1 11 7  84  o 17.31299 8.683743 0.2809857E-02  0.8993617E-01 0.5495246E-01  0.1319119     -0.4248068E-01 0.1229395     18.64204 9.481231 17.15590 8.763216 1.486143       12.91076 
1 1 1 11 7  85  f 11.18847 5.718261 -0.1180352     0.5301573E-01 -0.1980206     0.7067470E-01 -0.1511057E-01 0.8017112E-01 11.51076 5.922892 15.11047 7.654115 -3.599711      9.678126 
1 1 1 11 7  86  f 14.68686 7.543549 0.4309179E-01  0.1052915     0.1536353      0.1568752     -0.4752960E-01 0.1420375     15.25440 7.890766 14.05982 7.283766 1.194577       10.73860 
1 1 1 11 7  87  o 13.44302 6.961395 0.1055559      0.1264652     0.9627797E-01  0.1620577     0.1200053      0.2022418     13.21112 6.864984 13.17525 6.856379 0.3587055E-01  9.702470 
1 1 1 11 7  88  o 12.55338 6.519707 0.2106046      0.1384955     0.3580784      0.1803298     -0.1476287E-02 0.2162523     12.60152 6.556882 11.75277 6.120533 0.8487511      8.969594 
1 1 1 11 7  89  o 10.68977 5.554016 0.2437875E-01  0.1047835     0.7577472E-01  0.1273538     -0.8332562E-01 0.1843589     10.85108 5.644499 10.50538 5.470943 0.3456936      7.860763 
1 1 1 11 7  90  o ?        ?        -0.2218514     0.3623976E-01 -0.2561127     0.5063105E-01 -0.1858598     0.5189380E-01 ?        ?        7.596611 3.946177 0.000000       3.946177 
1 1 1 11 7  91  o 8.378209 4.363179 0.3486339E-01  0.1087607     -0.5951463E-01 0.1615602     0.1130813      0.1470795     8.262010 4.299831 8.450252 4.399856 -0.1882420     6.152014 
1 1 1 11 7  92  o 7.441388 3.875093 0.1302699      0.1038278     0.2131709      0.1457240     0.4479261E-01  0.1479711     7.414293 3.856676 7.276161 3.784140 0.1381326      5.403116 
1 1 1 11 7  93  o 6.292484 3.270427 0.1426080      0.1205095     0.2235454      0.1870449     0.8516767E-01  0.1575723     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  94  o ?        ?        -0.3748665E-01 0.9576742E-01 -0.1550849     0.1502784     0.4292821E-01  0.1242694     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  95  o ?        ?        0.2577961      0.1485821     0.1702288      0.2746836     0.2940156      0.1766577     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  96  o ?        ?        0.5206886E-01  0.1034093     0.3244154E-01  0.1294620     0.8666366E-01  0.1718768     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  97  o ?        ?        -0.2927702E-01 0.9599328E-01 -0.5507038E-02 0.1389689     -0.5096858E-01 0.1327543     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  98  o ?        ?        0.1958928E-01  0.9376360E-01 -0.3195846     0.2288083     0.8804142E-01  0.1027907     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 7  99  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 8  0   o 71.63303 30.77921 0.5373425      0.3120016     0.000000       0.000000      0.5373425      0.3120016     71.63303 30.77921 71.63303 30.77921 0.000000       0.000000 
1 1 1 11 8  1   o 81.15007 19.44032 0.5040514      0.2149733     0.6500950      0.3039438     0.3578647      0.3040925     90.67882 23.92689 70.51984 24.96921 20.15897       34.58262 
1 1 1 11 8  2   o 87.91045 19.08241 0.5884549      0.2249925     0.6409806      0.3224524     0.5386191      0.3140875     89.70238 25.06435 82.65514 25.21909 7.047249       35.55593 
1 1 1 11 8  3   o 90.44813 18.89553 0.6213159      0.2283829     0.7128412      0.3203338     0.5267000      0.3256974     94.76224 24.34990 81.83772 25.80027 12.92451       35.47636 
1 1 1 11 8  4   o 34.15662 14.88778 -0.1582632E-01 0.1319478     0.000000       0.000000      -0.1582632E-01 0.1319478     ?        ?        34.15662 14.88778 0.000000       14.88778 
1 1 1 11 8  5   o 71.83109 23.71176 0.3891776      0.2731605     0.000000       0.000000      0.3891776      0.2731605     ?        ?        71.83109 23.71176 0.000000       23.71176 
1 1 1 11 8  6   o 140.4325 26.36773 1.572813       0.4925261     0.000000       0.000000      1.572813       0.4925261     ?        ?        140.4325 26.36773 0.000000       26.36773 
1 1 1 11 8  7   o 98.53255 26.04096 0.7836083      0.3596528     0.000000       0.000000      0.7836083      0.3596528     ?        ?        98.53255 26.04096 0.000000       26.04096 
1 1 1 11 8  8   o 75.45148 19.20291 0.4362239      0.2005697     0.5627744      0.2866506     0.3148396      0.2807385     84.42420 23.64700 66.90340 23.95882 17.52081       33.66312 
1 1 1 11 8  9   o 55.83783 20.96747 0.1908118      0.2190603     0.000000       0.000000      0.1908118      0.2190603     ?        ?        55.83783 20.96747 0.000000       20.96747 
1 1 1 11 8  10  o 54.24643 20.69748 0.1709577      0.2154956     0.000000       0.000000      0.1709577      0.2154956     ?        ?        54.24643 20.69748 0.000000       20.69748 
1 1 1 11 8  11  o 94.38739 26.31694 0.7238567      0.3558857     0.000000       0.000000      0.7238567      0.3558857     ?        ?        94.38739 26.31694 0.000000       26.31694 
1 1 1 11 8  12  o 158.6463 26.60855 2.016994       0.5622541     0.000000       0.000000      2.016994       0.5622541     ?        ?        158.6463 26.60855 0.000000       26.60855 
1 1 1 11 8  13  o 87.60918 15.94505 0.5722666      0.1857854     0.7325317      0.2262811     0.2407651      0.3254406     98.85513 17.20198 64.16010 25.17571 34.69503       30.49139 
1 1 1 11 8  14  o 53.77965 18.25843 0.2036937      0.1618293     0.2987612      0.2245704     0.1009966      0.2334078     63.76858 21.50923 51.01208 20.86308 12.75650       29.96523 
1 1 1 11 8  15  o 79.51234 25.22693 0.5021630      0.3110014     0.000000       0.000000      0.5021630      0.3110014     ?        ?        79.51234 25.22693 0.000000       25.22693 
1 1 1 11 8  16  f 162.2650 26.70143 2.126827       0.5774549     0.000000       0.000000      2.126827       0.5774549     ?        ?        162.2650 26.70143 0.000000       26.70143 
1 1 1 11 8  17  o 117.7159 27.39587 1.147879       0.4369503     0.000000       0.000000      1.147879       0.4369503     ?        ?        117.7159 27.39587 0.000000       27.39587 
1 1 1 11 8  18  f 100.1646 27.24607 0.8372480      0.3868316     0.000000       0.000000      0.8372480      0.3868316     ?        ?        100.1646 27.24607 0.000000       27.24607 
1 1 1 11 8  19  o 142.7002 18.44683 1.534564       0.3549744     1.940306       0.5062771     1.142219       0.4978484     156.2877 24.24535 114.4829 30.81310 41.80476       39.20821 
1 1 1 11 8  20  o 64.34698 23.14188 0.2967152      0.2621841     0.2967152      0.2621841     0.000000       0.000000      64.34698 23.14188 ?        ?        0.000000       23.14188 
1 1 1 11 8  21  o 81.21999 25.71480 0.5380141      0.3232772     0.5380141      0.3232772     0.000000       0.000000      81.21999 25.71480 ?        ?        0.000000       25.71480 
1 1 1 11 8  22  o 73.28701 24.80310 0.4226902      0.2986268     0.4226902      0.2986268     0.000000       0.000000      73.28701 24.80310 ?        ?        0.000000       24.80310 
1 1 1 11 8  23  o 94.71844 27.18572 0.7619050      0.3741738     0.7619050      0.3741738     0.000000       0.000000      94.71844 27.18572 ?        ?        0.000000       27.18572 
1 1 1 11 8  24  o 106.9923 15.47218 0.8534462      0.2219437     0.9692702      0.2684439     0.6032450      0.3945474     112.8616 17.81658 84.40984 28.50988 28.45178       33.61910 
1 1 1 11 8  25  o 141.5862 14.56938 1.475573       0.2807736     1.622385       0.3403269     1.162672       0.4968425     146.8689 17.10163 113.7217 30.85509 33.14721       35.27751 
1 1 1 11 8  26  o 154.4265 14.49570 1.755003       0.3054825     1.741722       0.3691181     1.783876       0.5442249     151.3752 18.01293 144.1809 28.34629 7.194244       33.58538 
1 1 1 11 8  27  o 85.44489 16.33543 0.5569255      0.1857074     0.7453470      0.2247351     0.1512644      0.3297520     98.75716 17.09951 58.49406 24.44109 40.26310       29.82885 
1 1 1 11 8  28  o 127.0153 15.05189 1.201455       0.2588526     1.435286       0.3158936     0.7235483      0.4516079     137.6541 16.97920 89.37868 30.50034 48.27544       34.90794 
1 1 1 11 8  29  o 111.4683 13.29650 0.9147235      0.2006182     0.7869844      0.2799245     1.049627       0.2876679     98.81046 21.15461 116.3438 18.52787 -17.53333      28.12116 
1 1 1 11 8  30  o 134.1578 12.80868 1.316853       0.2343954     1.516704       0.3311787     1.116261       0.3317925     140.8827 17.39348 117.9752 21.14418 22.90744       27.37899 
1 1 1 11 8  31  o 114.5106 13.33889 0.9682178      0.2069606     0.9402620      0.2895372     0.9974239      0.2959410     108.6623 20.03506 112.1251 19.84055 -3.462791      28.19665 
1 1 1 11 8  32  o 73.85693 15.15809 0.4177257      0.1494065     0.3474529      0.2041599     0.4987553      0.2192294     65.76111 20.37831 78.37186 20.14705 -12.61076      28.65623 
1 1 1 11 8  33  o 120.5497 13.25929 1.074654       0.2170634     0.9065847      0.3002110     1.258770       0.3142156     105.2946 21.37821 126.8742 18.47830 -21.57960      28.25731 
1 1 1 11 8  34  o 125.5308 13.11035 1.164765       0.2238962     1.279149       0.3110506     1.041778       0.3225358     128.0071 18.10275 112.7405 21.50332 15.26660       28.10876 
1 1 1 11 8  35  o 82.82858 14.97355 0.5245085      0.1649515     0.5724440      0.2270690     0.4709479      0.2400229     83.75549 19.92378 74.92311 21.85212 8.832375       29.57148 
1 1 1 11 8  36  o 95.98222 14.09447 0.6943868      0.1812363     0.8781195      0.2549078     0.5065647      0.2577290     105.4496 18.16196 77.06851 22.69135 28.38110       29.06465 
1 1 1 11 8  37  o 127.8673 15.50116 1.245472       0.2680980     1.507268       0.3266192     0.7048100      0.4693788     139.2080 17.36976 84.70219 30.89017 54.50581       35.43884 
1 1 1 11 8  38  o 62.71138 17.81035 0.3151398      0.1614441     0.4681081      0.1940901     -0.2836630E-01 0.2908505     75.99347 18.63827 47.29745 21.27132 28.69602       28.28169 
1 1 1 11 8  39  o 59.35517 17.32576 0.2803600      0.1508313     0.3278648      0.1801669     0.1690586      0.2757758     63.51997 19.03810 54.85362 22.58391 8.666355       29.53781 
1 1 1 11 8  40  o 99.25054 16.55749 0.7690742      0.2189217     0.9064356      0.2653636     0.4763687      0.3873687     106.2544 18.77314 73.11263 27.78459 33.14181       33.53229 
1 1 1 11 8  41  o 45.24533 16.64042 0.1388783      0.1366221     0.7326186E-01  0.1595515     0.3192278      0.2645160     41.78872 17.18827 62.93502 23.15302 -21.14631      28.83572 
1 1 1 11 8  42  o 46.14159 16.11273 0.1541215      0.1263196     0.1832586      0.1452798     0.6383660E-01  0.2557350     49.65269 17.28304 48.36825 20.90470 1.284435       27.12397 
1 1 1 11 8  43  o 37.48799 14.54155 0.7773621E-01  0.1076089     0.2375857      0.1480610     -0.1012367     0.1566674     54.87854 17.40563 31.99997 14.84293 22.87857       22.87506 
1 1 1 11 8  44  o 111.5308 14.05726 0.9422643      0.2116789     1.096451       0.2980482     0.7853348      0.3006874     116.2576 19.23925 94.73510 23.17652 21.52253       30.12142 
1 1 1 11 8  45  o 101.9486 14.65037 0.7954392      0.2003122     0.9604403      0.2833002     0.6304754      0.2832682     108.2422 19.67943 84.27251 23.47268 23.96966       30.63081 
1 1 1 11 8  46  o 114.6675 12.07260 0.9740123      0.1882805     1.320465       0.3081776     0.7676817      0.2378268     128.9678 17.77797 97.51251 18.33598 31.45534       25.53946 
1 1 1 11 8  47  f 64.00805 12.98351 0.3127179      0.1108287     0.2472494      0.1569929     0.3777588      0.1564793     55.73826 17.94897 68.68314 16.66830 -12.94488      24.49486 
1 1 1 11 8  48  o 125.0322 10.52400 1.138569       0.1800044     1.125556       0.2554488     1.151403       0.2536895     120.6312 15.70840 122.2991 15.36139 -1.667900      21.97103 
1 1 1 11 8  49  o 124.2496 10.59395 1.125145       0.1800206     1.168059       0.2559762     1.083151       0.2532212     123.1770 15.38538 118.1466 15.92769 5.030403       22.14500 
1 1 1 11 8  50  o 125.3904 11.71316 1.158584       0.2004552     1.292121       0.3210254     1.073243       0.2566361     126.4803 18.96614 117.3522 16.27576 9.128052       24.99229 
1 1 1 11 8  51  o 59.56308 14.35306 0.2762899      0.1166565     0.3762285      0.1909717     0.2167995      0.1473418     67.27273 19.45480 52.76378 17.41464 14.50895       26.11052 
1 1 1 11 8  52  o 120.5898 13.02879 1.087673       0.2134987     1.101695       0.3110906     1.075188       0.2935388     115.5504 20.23476 115.0970 19.14219 0.4534225      27.85442 
1 1 1 11 8  53  o 99.89028 13.73897 0.7559860      0.1844866     0.6536784      0.2176738     1.016883       0.3476051     89.90965 18.15852 107.1811 24.07528 -17.27145      30.15544 
1 1 1 11 8  54  o 65.88003 15.88373 0.3445845      0.1428065     0.2637473      0.1704146     0.5352271      0.2617045     57.26914 18.72025 77.84368 22.85037 -20.57454      29.53959 
1 1 1 11 8  55  f 132.8325 11.55386 1.299686       0.2098081     1.461243       0.2698414     1.052711       0.3336356     138.6682 14.29779 110.2340 22.67566 28.43422       26.80694 
1 1 1 11 8  56  o 42.91208 14.57328 0.1349636      0.1030971     0.1404263E-01  0.1514984     0.2392642      0.1407021     37.01096 16.04285 54.73438 16.91015 -17.72342      23.30936 
1 1 1 11 8  57  o 75.40128 13.05565 0.4338435      0.1310073     0.5366584      0.1987600     0.3548642      0.1742038     80.69743 18.26329 65.30137 18.48508 15.39606       25.98549 
1 1 1 11 8  58  o 38.88639 13.41235 0.1080614      0.8739712E-01 0.5668437E-01  0.1297008     0.1507911      0.1182832     37.47482 15.46523 45.01692 15.59899 -7.542095      21.96592 
1 1 1 11 8  59  o 37.14397 13.40173 0.9373546E-01  0.8800812E-01 0.1004634      0.1223378     0.8651901E-01  0.1267014     40.27271 15.53747 39.41776 15.63139 0.8549461      22.03981 
1 1 1 11 8  60  o 45.21124 14.24295 0.1592835      0.9927206E-01 0.1038761      0.1378723     0.2189348      0.1430549     41.45455 16.34804 51.93874 17.16025 -10.48419      23.70090 
1 1 1 11 8  61  o 87.07906 11.84208 0.5758171      0.1386968     0.6956705      0.1939285     0.4503185      0.1984432     92.90137 15.67546 71.40663 19.55263 21.49474       25.06043 
1 1 1 11 8  62  o 36.80823 13.49790 0.9356785E-01  0.8979923E-01 0.5231608E-01  0.1216421     0.1429745      0.1331237     35.70803 14.87595 43.94051 16.37555 -8.232483      22.12357 
1 1 1 11 8  63  o 62.14571 13.72866 0.3116401      0.1146667     0.4255887      0.1590053     0.1881674      0.1655171     70.72555 16.57143 48.35340 18.21231 22.37215       24.62317 
1 1 1 11 8  64  o 46.25712 14.21958 0.1756974      0.9963199E-01 0.2365322      0.1364357     0.1061914      0.1458353     52.23011 16.72352 40.91177 16.58196 11.31834       23.55074 
1 1 1 11 8  65  o 55.85164 16.04208 0.2734037      0.1302475     0.3997057      0.2038224     0.1862308      0.1693315     63.42602 20.45433 47.16079 18.25590 16.26523       27.41637 
1 1 1 11 8  66  o 49.84120 16.25992 0.2215431      0.1285879     0.1656088      0.1856753     0.2730950      0.1782532     45.46271 18.60236 53.20150 19.08705 -7.738792      26.65264 
1 1 1 11 8  67  o 35.27987 13.65419 0.8826569E-01  0.9471060E-01 0.2249582      0.1223479     -0.1161290     0.1496094     49.78648 15.82559 28.56003 13.62528 21.22644       20.88295 
1 1 1 11 8  68  o 29.32586 12.41165 0.3460908E-01  0.8677633E-01 0.9809164E-01  0.1116502     -0.6224407E-01 0.1379079     36.59298 14.62168 29.06847 13.62827 7.524506       19.98808 
1 1 1 11 8  69  f 44.63726 15.92517 0.1926196      0.1239229     0.1292857      0.1442270     0.3712589      0.2422238     39.35405 16.27995 53.03930 21.41480 -13.68524      26.90037 
1 1 1 11 8  70  o 12.46318 6.314091 -0.1792826     0.5468712E-01 -0.2010204     0.6508343E-01 -0.1270722     0.1008651     13.80337 6.981073 21.54826 10.49911 -7.744885      12.60820 
1 1 1 11 8  71  o 40.71527 15.53038 0.1747216      0.1213087     0.2243372      0.1429645     0.4714382E-01  0.2292483     44.03616 16.84480 35.65552 16.97049 8.380642       23.91119 
1 1 1 11 8  72  o 31.23495 13.16663 0.7908111E-01  0.9702586E-01 -0.5839649E-02 0.1253817     0.2058452      0.1531882     27.80257 13.02195 40.12296 16.70270 -12.32039      21.17903 
1 1 1 11 8  73  o 34.33660 13.96302 0.1303446      0.1037987     0.4687783E-01  0.1319576     0.2658068      0.1681074     29.47770 13.65504 40.78229 17.26859 -11.30459      22.01509 
1 1 1 11 8  74  o 29.15797 12.80134 0.8230807E-01  0.9913559E-01 0.4920598E-01  0.1259860     0.1361285      0.1606453     27.97267 13.08623 32.04445 14.91966 -4.071779      19.84555 
1 1 1 11 8  75  o ?        ?        -0.1770102     0.4142851E-01 -0.3063190E-01 0.7014938E-01 -0.2554073     0.5133756E-01 19.44504 9.291461 ?        ?        0.000000       9.291461 
1 1 1 11 8  76  o 29.92576 14.11771 0.2072859      0.1520874     0.3425304      0.2573466     0.1346983      0.1885341     29.34142 14.71307 26.97782 13.37610 2.363598       19.88453 
1 1 1 11 8  77  f 30.46197 14.10526 0.2834156      0.1405930     0.2565244      0.1959185     0.3119659      0.2018722     26.33994 13.15268 27.16177 13.52901 -0.8218307     18.86868 
1 1 1 11 8  78  o 26.01691 12.57318 0.2657879      0.1370743     0.5464213      0.1905893     -0.3492253E-01 0.1972891     28.41842 13.96794 20.00029 10.27489 8.418129       17.34004 
1 1 1 11 8  79  o 20.23276 10.06547 0.1258065      0.1103540     0.1263454      0.1615487     0.1253350      0.1511027     19.28118 9.864607 19.38592 9.886102 -0.1047459     13.96587 
1 1 1 11 8  80  o 16.05119 8.139106 0.1981338E-01  0.9221913E-01 -0.9318920E-01 0.1326151     0.1256242      0.1283258     15.19173 7.830973 17.49435 8.937476 -2.302621      11.88287 
1 1 1 11 8  81  o 14.22862 7.315088 -0.9566304E-02 0.1044793     0.1006097E-01  0.1201556     -0.7040776E-01 0.2115505     14.51063 7.478617 14.40626 7.491107 0.1043615      10.58520 
1 1 1 11 8  82  o 13.09793 6.762079 0.2119778E-01  0.1061582     0.7524136E-01  0.1212200     -0.1566395     0.2198942     13.47608 6.966404 12.78081 6.654441 0.6952648      9.633918 
1 1 1 11 8  83  o 12.26609 6.370579 0.6988231E-01  0.1324354     0.5601141E-01  0.1515204     0.1147744      0.2725860     12.16869 6.327743 12.15552 6.330041 0.1316547E-01  8.950405 
1 1 1 11 8  84  o 11.11743 5.772872 0.4500347E-01  0.1066820     0.1213892      0.1451210     -0.4481416E-01 0.1573639     11.27497 5.866910 10.83818 5.642830 0.4367924      8.140158 
1 1 1 11 8  85  f 9.869309 5.131361 0.1634375E-01  0.9775662E-01 0.1001731      0.1325066     -0.8377363E-01 0.1448085     10.07355 5.244328 9.673298 5.037608 0.4002504      7.271896 
1 1 1 11 8  86  o 8.993681 4.683472 0.1574646      0.1234741     0.5850912E-01  0.1685883     0.2719640      0.1813464     8.754765 4.557354 8.945164 4.656316 -0.1903992     6.515425 
1 1 1 11 8  87  o 7.613612 3.965172 0.1726139E-01  0.1021701     -0.7541463E-01 0.1375664     0.1312659      0.1525772     7.516391 3.911526 7.704325 4.008236 -0.1879334     5.600535 
1 1 1 11 8  88  o 6.598037 3.434572 -0.3275320E-01 0.9792022E-01 -0.1805550     0.1333725     0.1400764      0.1442233     6.521849 3.388810 6.737778 3.500801 -0.2159290     4.872334 
1 1 1 11 8  89  o ?        ?        0.2181086      0.1580530     0.1740501      0.2619432     0.2433326      0.1981983     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  90  o ?        ?        0.2144032      0.1609722     0.4100237E-01  0.2667495     0.3137145      0.2018727     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  91  o ?        ?        0.1250548      0.1263664     0.1577111      0.1773046     0.9134282E-01  0.1801476     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  92  o ?        ?        0.8415426E-01  0.1307552     0.1275085      0.1644486     0.9632543E-02  0.2156036     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  93  o ?        ?        0.1135182E-01  0.1134854     0.1222834E-01  0.1432813     0.9876295E-02  0.1859008     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  94  o ?        ?        -0.4219806     0.4485760E-01 -0.2928315     0.7415208E-01 -0.4965216     0.5633461E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 8  95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  4   o 63.78148 22.45789 0.3150445      0.2456695     0.000000       0.000000      0.3150445      0.2456695     ?        ?        63.78148 22.45789 0.000000       22.45789 
1 1 1 11 9  5   o 44.26001 18.30369 0.7274479E-01  0.1822307     0.000000       0.000000      0.7274479E-01  0.1822307     ?        ?        44.26001 18.30369 0.000000       18.30369 
1 1 1 11 9  6   o 63.37630 22.90779 0.3066629      0.2573073     0.000000       0.000000      0.3066629      0.2573073     ?        ?        63.37630 22.90779 0.000000       22.90779 
1 1 1 11 9  7   o 87.65818 26.30129 0.6755877      0.3437229     0.000000       0.000000      0.6755877      0.3437229     ?        ?        87.65818 26.30129 0.000000       26.30129 
1 1 1 11 9  8   o 46.35383 18.94285 0.9448958E-01  0.1922277     0.000000       0.000000      0.9448958E-01  0.1922277     ?        ?        46.35383 18.94285 0.000000       18.94285 
1 1 1 11 9  9   o 61.64065 22.67153 0.2835900      0.2536075     0.000000       0.000000      0.2835900      0.2536075     ?        ?        61.64065 22.67153 0.000000       22.67153 
1 1 1 11 9  10  o 93.49521 26.73220 0.7775354      0.3624453     0.000000       0.000000      0.7775354      0.3624453     ?        ?        93.49521 26.73220 0.000000       26.73220 
1 1 1 11 9  11  o 36.84600 16.08303 -0.4962866E-02 0.1544787     0.000000       0.000000      -0.4962866E-02 0.1544787     ?        ?        36.84600 16.08303 0.000000       16.08303 
1 1 1 11 9  12  o 56.62428 21.61592 0.2186403      0.2351208     0.000000       0.000000      0.2186403      0.2351208     ?        ?        56.62428 21.61592 0.000000       21.61592 
1 1 1 11 9  13  o 54.96414 21.28460 0.1969522      0.2302447     0.000000       0.000000      0.1969522      0.2302447     ?        ?        54.96414 21.28460 0.000000       21.28460 
1 1 1 11 9  14  o 117.5762 28.34115 1.256527       0.4547316     0.000000       0.000000      1.256527       0.4547316     ?        ?        117.5762 28.34115 0.000000       28.34115 
1 1 1 11 9  15  o 70.19127 17.00290 0.3881928      0.1630537     0.4593446      0.1990929     0.2432528      0.2841561     75.43527 19.09582 59.82714 23.50900 15.60813       30.28734 
1 1 1 11 9  16  o 63.68465 23.11171 0.3181285      0.2622892     0.000000       0.000000      0.3181285      0.2622892     ?        ?        63.68465 23.11171 0.000000       23.11171 
1 1 1 11 9  17  o 56.56644 21.54022 0.2232645      0.2331141     0.000000       0.000000      0.2232645      0.2331141     ?        ?        56.56644 21.54022 0.000000       21.54022 
1 1 1 11 9  18  o 46.20204 19.02286 0.9316119E-01  0.1956751     0.000000       0.000000      0.9316119E-01  0.1956751     ?        ?        46.20204 19.02286 0.000000       19.02286 
1 1 1 11 9  19  f 63.08928 23.11207 0.3120030      0.2631854     0.000000       0.000000      0.3120030      0.2631854     ?        ?        63.08928 23.11207 0.000000       23.11207 
1 1 1 11 9  20  o 50.96793 20.41070 0.1488177      0.2180898     0.000000       0.000000      0.1488177      0.2180898     ?        ?        50.96793 20.41070 0.000000       20.41070 
1 1 1 11 9  21  o 70.85055 17.34573 0.3997980      0.1683324     0.4232088      0.2060402     0.3528070      0.2919117     71.65313 20.04057 65.98244 24.31516 5.670685       31.50955 
1 1 1 11 9  22  o 68.02206 17.11130 0.3681393      0.1605754     0.3990685      0.1950338     0.3030578      0.2829142     69.79237 19.49011 62.73301 23.76760 7.059368       30.73700 
1 1 1 11 9  23  o 44.86367 17.79054 0.1101723      0.1641172     0.2507155      0.2451355     -0.3995472E-02 0.2209393     58.40211 22.12456 42.94448 18.97211 15.45763       29.14510 
1 1 1 11 9  24  o 24.18628 11.44152 -0.1060669     0.1011457     -0.8703653E-01 0.1727284     -0.1159976     0.1247762     34.57142 15.87278 27.31148 12.85479 7.259941       20.42524 
1 1 1 11 9  25  o 52.17076 19.26698 0.1944993      0.1834599     0.4086779      0.2771554     0.2746657E-01  0.2447575     69.16469 23.88295 46.14988 20.19146 23.01481       31.27444 
1 1 1 11 9  26  o 80.33962 21.34526 0.5465464      0.2408187     0.5872350      0.3546337     0.5117282      0.3280552     79.58142 27.02863 75.36646 25.98595 4.214966       37.49422 
1 1 1 11 9  27  o 64.55437 20.81527 0.3449999      0.2110848     0.4067991      0.3173994     0.2959914      0.2826510     68.92722 25.36138 61.91332 23.68473 7.013901       34.70110 
1 1 1 11 9  28  o 106.2823 15.89229 0.8738627      0.2260700     1.004971       0.2761365     0.6073693      0.3936879     112.0955 18.48451 79.79068 28.39343 32.30480       33.88015 
1 1 1 11 9  29  o 47.30781 15.92702 0.1667010      0.1231299     0.8265164E-01  0.1473199     0.3614788      0.2242661     41.39742 16.70553 65.67367 21.47572 -24.27625      27.20811 
1 1 1 11 9  30  o 58.64371 17.53562 0.2754561      0.1529834     0.3217293      0.1853165     0.1764483      0.2710716     62.64645 19.41545 54.69656 22.43973 7.949898       29.67324 
1 1 1 11 9  31  o 72.80698 15.55006 0.4155146      0.1515798     0.3886473      0.2104963     0.4444526      0.2184577     67.98521 20.62387 72.47455 20.76404 -4.489342      29.26584 
1 1 1 11 9  32  o 52.49131 15.66070 0.2153598      0.1221196     0.1796076      0.1704933     0.2530276      0.1750012     50.22160 18.56835 56.49785 18.98790 -6.276257      26.55794 
1 1 1 11 9  33  o 77.47937 15.13659 0.4670303      0.1561318     0.4922729      0.2208115     0.4417914      0.2207958     76.33401 20.51071 72.08376 20.93987 4.250244       29.31156 
1 1 1 11 9  34  o 105.9643 13.95348 0.8511301      0.1991994     0.9782313      0.2825104     0.7254585      0.2809173     109.4981 19.39476 91.50356 22.41122 17.99449       29.63814 
1 1 1 11 9  35  o 139.6666 13.13270 1.457723       0.2502963     1.788537       0.3544197     1.128574       0.3535267     150.7605 17.34107 114.0548 23.23654 36.70567       28.99396 
1 1 1 11 9  36  o 86.12112 15.25350 0.5758101      0.1747523     0.3421554      0.2421813     0.8296188      0.2524101     63.90450 22.31053 101.1133 18.76944 -37.20882      29.15565 
1 1 1 11 9  37  o 60.14395 16.34500 0.2885881      0.1392891     0.3090907      0.1931866     0.2663901      0.2010158     61.31085 19.92648 57.86453 20.31913 3.446320       28.45930 
1 1 1 11 9  38  o 80.90830 15.51366 0.5114250      0.1670120     0.5880252      0.2319563     0.4289645      0.2406657     83.66960 20.28694 70.42184 22.17524 13.24776       30.05497 
1 1 1 11 9  39  o 65.50532 16.33143 0.3421860      0.1472065     0.2572573      0.2047430     0.4330694      0.2117991     57.24633 20.46486 71.59563 20.42272 -14.34930      28.91190 
1 1 1 11 9  40  o 61.29666 18.03884 0.3050153      0.1629122     0.5006347      0.1944523     -0.1556075     0.2983869     78.36728 18.30124 43.23944 20.19930 35.12784       27.25705 
1 1 1 11 9  41  o 45.62613 16.65765 0.1444649      0.1365464     0.4559166      0.1635300     -0.5727018     0.2481487     75.99229 16.08574 29.66990 14.81346 46.32240       21.86754 
1 1 1 11 9  42  o 50.01635 19.54148 0.1614897      0.1954124     0.2739366      0.2761465     0.4870286E-01  0.2765636     60.07766 23.29728 48.88276 21.42327 11.19490       31.64995 
1 1 1 11 9  43  o 48.71183 19.12175 0.1486315      0.1878145     0.4943138      0.2611694     -0.2216021     0.2702848     74.91346 23.02124 39.14314 18.57115 35.77032       29.57812 
1 1 1 11 9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  45  o 95.67809 27.88175 0.8900608      0.3909046     0.8900608      0.3909046     0.000000       0.000000      95.67809 27.88175 ?        ?        0.000000       27.88175 
1 1 1 11 9  46  o 63.11042 23.53668 0.3301649      0.2751109     0.3301649      0.2751109     0.000000       0.000000      63.11042 23.53668 ?        ?        0.000000       23.53668 
1 1 1 11 9  47  o 72.77549 17.91469 0.4341629      0.1788157     0.7675318      0.3032343     0.2564336      0.2214090     92.43982 23.65768 57.18056 21.15634 35.25925       31.73762 
1 1 1 11 9  48  o 54.84489 16.52334 0.2408171      0.1354554     0.2936580      0.1918255     0.1882646      0.1913013     59.54269 19.88034 51.28399 19.51676 8.258705       27.85914 
1 1 1 11 9  49  o 66.74886 18.63989 0.3734626      0.1783905     0.6012598      0.2167638     -0.1046121     0.3140223     84.83969 18.97828 45.20367 20.98389 39.63602       28.29309 
1 1 1 11 9  50  o 60.34483 18.44882 0.3045818      0.1679740     0.5429882      0.2040645     -0.1963990     0.2958142     80.42518 18.72527 41.15321 19.49682 39.27197       27.03261 
1 1 1 11 9  51  o 64.24286 18.48273 0.3498963      0.1727655     0.4081996      0.2103468     0.2290288      0.3028618     68.03885 20.61127 56.68295 23.53154 11.35590       31.28191 
1 1 1 11 9  52  o 40.16673 14.71294 0.1124183      0.1066510     0.1301322      0.1590883     0.9795894E-01  0.1437326     44.69029 17.58098 41.32870 16.56301 3.361595       24.15417 
1 1 1 11 9  53  o 64.25585 13.94720 0.3285771      0.1201966     0.4209722      0.1545765     0.1872733      0.1911595     71.53564 16.04433 49.89059 19.37331 21.64505       25.15443 
1 1 1 11 9  54  o 38.53851 13.63288 0.1083854      0.9063061E-01 0.1028081      0.1160628     0.1171004      0.1450818     39.43396 15.15533 42.37816 16.75166 -2.944199      22.58987 
1 1 1 11 9  55  o 34.98246 13.10408 0.8113495E-01  0.8546080E-01 0.1091350      0.1089335     0.3631775E-01  0.1378177     39.40593 14.78804 35.89963 15.43041 3.506298       21.37250 
1 1 1 11 9  56  o 58.74900 13.22174 0.2783947      0.1046673     0.3540863      0.1464063     0.1992674      0.1496922     64.07719 16.45991 48.68441 17.48858 15.39277       24.01623 
1 1 1 11 9  57  o 34.72363 13.38037 0.7836211E-01  0.9064104E-01 0.6504996E-01  0.1469399     0.8653896E-01  0.1151619     37.92859 16.10721 37.24276 14.86030 0.6858292      21.91508 
1 1 1 11 9  58  o 24.66368 11.04441 -0.1623145E-01 0.7749876E-01 0.1892483E-01  0.1231184     -0.3930277E-01 0.9973734E-01 32.65715 14.30352 26.42992 12.10772 6.227222       18.74000 
1 1 1 11 9  59  o 28.82035 12.20438 0.2703406E-01  0.8397599E-01 -0.1199908     0.1306912     0.1304236      0.1095947     26.50804 12.67079 40.35024 14.89349 -13.84220      19.55415 
1 1 1 11 9  60  f 37.68725 13.37337 0.1144462      0.8727840E-01 0.7847968E-01  0.1183975     0.1572519      0.1291648     35.72992 14.76304 42.71286 16.08836 -6.982941      21.83535 
1 1 1 11 9  61  o 35.54303 13.26337 0.9910472E-01  0.8738776E-01 0.2605029E-01  0.1163901     0.1935017      0.1323036     31.44532 13.83657 45.28702 16.41764 -13.84170      21.47067 
1 1 1 11 9  62  o 40.67043 14.99891 0.1505677      0.1111052     0.9179966E-01  0.1271281     0.3406179      0.2286151     36.05826 15.12869 51.70689 20.82991 -15.64863      25.74417 
1 1 1 11 9  63  o 19.97863 9.452418 -0.5557565E-01 0.6907917E-01 -0.3696181E-01 0.7821704E-01 -0.1215680     0.1472754     22.47737 10.44704 26.80536 12.97311 -4.327993      16.65660 
1 1 1 11 9  64  o 24.40455 11.12123 -0.1019191E-01 0.8271917E-01 -0.3587400E-01 0.9400920E-01 0.7788077E-01  0.1740908     24.26795 11.33714 35.23424 16.08636 -10.96629      19.67999 
1 1 1 11 9  65  o 15.50132 7.617887 -0.9369686E-01 0.5662119E-01 -0.7644243E-01 0.6902973E-01 -0.1291760     0.9898563E-01 18.44433 8.915724 20.58703 10.10808 -2.142704      13.47825 
1 1 1 11 9  66  o 25.60614 11.50755 0.2094029E-01  0.8494029E-01 -0.7377550E-02 0.1061132     0.7144748E-01  0.1417150     25.71402 12.02331 31.36466 14.39193 -5.650639      18.75334 
1 1 1 11 9  67  o 24.87576 11.26066 0.2310819E-01  0.8306800E-01 0.4192335E-01  0.1066816     -0.5867411E-02 0.1323890     27.40355 12.54212 26.54696 12.70650 0.8565884      17.85385 
1 1 1 11 9  68  o 29.69344 12.86372 0.1008335      0.9729429E-01 -0.7057881E-01 0.1236090     0.3799689      0.1577382     22.88810 11.24956 44.37098 17.49001 -21.48288      20.79550 
1 1 1 11 9  69  f 20.98653 10.08291 -0.2124723E-01 0.8512269E-01 -0.3676128E-03 0.1190403     -0.4309523E-01 0.1217695     23.76514 11.53969 22.56288 11.10449 1.202261       16.01481 
1 1 1 11 9  70  o 26.89424 12.45855 0.1199216      0.1098540     0.1406179      0.1551786     0.9912991E-01  0.1555359     26.58496 12.96841 25.47305 12.53932 1.111908       18.03924 
1 1 1 11 9  71  o 29.96663 13.98340 0.3051459      0.1423730     0.1215460      0.2017445     0.4873021      0.2009496     23.33976 11.85591 29.71169 14.54985 -6.371931      18.76861 
1 1 1 11 9  72  o 20.16316 9.873701 0.4788193E-01  0.9252459E-01 0.2703971E-01  0.1194309     0.7916858E-01  0.1463269     19.79886 9.941130 20.83567 10.52939 -1.036816      14.48082 
1 1 1 11 9  73  o 19.64191 9.687363 0.9681866E-01  0.9431897E-01 0.1298809E-01  0.1272453     0.1990439      0.1405140     17.69979 9.030379 20.42990 10.32358 -2.730104      13.71584 
1 1 1 11 9  74  o 17.50674 8.878386 0.1127772      0.1099809     0.1552914      0.1258744     -0.2440653E-01 0.2261112     17.80603 9.075349 16.08713 8.354493 1.718904       12.33530 
1 1 1 11 9  75  o 15.07103 7.736671 0.5840224E-01  0.1085465     -0.7099990E-01 0.1226885     0.5246434      0.2328833     13.91080 7.184888 16.22487 8.426978 -2.314072      11.07414 
1 1 1 11 9  76  o 13.19956 6.814255 0.1505508E-01  0.1076000     0.5356015E-02  0.1249349     0.4291272E-01  0.2117343     13.16036 6.818190 13.33496 6.940084 -0.1745977     9.728951 
1 1 1 11 9  77  o 11.47268 5.929312 -0.6297812E-01 0.8661733E-01 -0.6506519E-01 0.1168160     -0.6042930E-01 0.1290929     11.79800 6.124542 11.90046 6.182625 -0.1024561     8.702578 
1 1 1 11 9  78  o 11.32458 5.870514 0.2812951E-01  0.9613748E-01 -0.6994590E-01 0.1309766     0.1426899      0.1415568     10.95635 5.699749 11.66902 6.068677 -0.7126694     8.325622 
1 1 1 11 9  79  f 9.862201 5.119626 -0.4012900E-01 0.8161422E-01 -0.1285711     0.1052122     0.9349307E-01  0.1293229     9.672346 5.032547 10.45353 5.440298 -0.7811794     7.411030 
1 1 1 11 9  80  o 9.195278 4.781100 0.2464082E-01  0.8544292E-01 -0.5244201E-01 0.1094729     0.1447869      0.1366730     8.965904 4.668353 9.387985 4.889064 -0.4220810     6.759916 
1 1 1 11 9  81  o 8.212612 4.275685 0.3895472E-01  0.8915523E-01 0.5360075E-01  0.1127403     0.1450629E-01  0.1456613     8.209031 4.275130 8.134250 4.234300 0.7478142E-01  6.017146 
1 1 1 11 9  82  o 7.350052 3.826880 0.1574924      0.1107893     0.1464973      0.1432136     0.1738789      0.1748347     7.259721 3.775802 ?        ?        0.000000       3.775802 
1 1 1 11 9  83  o 6.280581 3.267037 0.6351028E-01  0.1040752     0.8894038E-01  0.1432254     0.3506024E-01  0.1514912     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  84  o ?        ?        -0.3501888E-01 0.9638915E-01 -0.2271624     0.1558093     0.8410688E-01  0.1226827     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  85  o ?        ?        0.1462073E-01  0.9852888E-01 0.2432498      0.1522290     -0.1502063     0.1292546     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  86  o ?        ?        0.9512676E-02  0.1078176     0.4477225E-01  0.1333341     -0.5709812E-01 0.1832631     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  87  o ?        ?        -0.2449752E-01 0.9935188E-01 0.3101553E-01  0.1227837     -0.1297718     0.1690847     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  88  o ?        ?        0.1203018      0.1164942     0.8504962E-01  0.1540892     0.1673307      0.1779759     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  89  o ?        ?        0.4805975E-01  0.1570117     0.3059494      0.2392265     -0.1471003     0.2081076     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 9  90  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 1   o 84.54710 26.06514 0.6651801      0.3344943     0.6651801      0.3344943     0.000000       0.000000      84.54710 26.06514 ?        ?        0.000000       26.06514 
1 1 1 11 10 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 5   o 97.51183 28.20189 0.9199889      0.4012887     0.000000       0.000000      0.9199889      0.4012887     ?        ?        97.51183 28.20189 0.000000       28.20189 
1 1 1 11 10 6   o 41.88584 17.51392 0.6351048E-01  0.1694913     0.000000       0.000000      0.6351048E-01  0.1694913     ?        ?        41.88584 17.51392 0.000000       17.51392 
1 1 1 11 10 7   o 65.68253 19.89020 0.3589725      0.1959127     0.4686752      0.2787944     0.2519543      0.2753622     72.72775 23.95250 58.84409 23.13609 13.88366       33.30166 
1 1 1 11 10 8   f 63.40709 23.30310 0.3302790      0.2678599     0.000000       0.000000      0.3302790      0.2678599     ?        ?        63.40709 23.30310 0.000000       23.30310 
1 1 1 11 10 9   o 46.11807 19.06000 0.9832198E-01  0.1974208     0.000000       0.000000      0.9832198E-01  0.1974208     ?        ?        46.11807 19.06000 0.000000       19.06000 
1 1 1 11 10 10  o 65.49468 23.76324 0.3617092      0.2772632     0.000000       0.000000      0.3617092      0.2772632     ?        ?        65.49468 23.76324 0.000000       23.76324 
1 1 1 11 10 11  o 95.77930 27.85375 0.8840250      0.3904790     0.000000       0.000000      0.8840250      0.3904790     ?        ?        95.77930 27.85375 0.000000       27.85375 
1 1 1 11 10 12  o 57.12248 21.73227 0.2433525      0.2371548     0.000000       0.000000      0.2433525      0.2371548     ?        ?        57.12248 21.73227 0.000000       21.73227 
1 1 1 11 10 13  o 42.56576 17.93340 0.6104835E-01  0.1798417     0.000000       0.000000      0.6104835E-01  0.1798417     ?        ?        42.56576 17.93340 0.000000       17.93340 
1 1 1 11 10 14  o 44.77385 18.74248 0.7960749E-01  0.1944118     0.000000       0.000000      0.7960749E-01  0.1944118     ?        ?        44.77385 18.74248 0.000000       18.74248 
1 1 1 11 10 15  o 50.67811 20.30130 0.1556781      0.2158357     0.000000       0.000000      0.1556781      0.2158357     ?        ?        50.67811 20.30130 0.000000       20.30130 
1 1 1 11 10 16  o 19.01262 9.238104 -0.1255561     0.7662746E-01 -0.4686534E-01 0.1195520     -0.1804259     0.9983014E-01 29.85157 13.51144 20.97923 10.26966 8.872337       16.97130 
1 1 1 11 10 17  o 26.94846 12.57164 -0.9075361E-01 0.1149536     0.000000       0.000000      -0.9075361E-01 0.1149536     ?        ?        26.94846 12.57164 0.000000       12.57164 
1 1 1 11 10 18  o 73.88930 20.03163 0.4585161      0.2095093     0.7274308      0.2911590     0.1697693      0.3017042     90.99120 23.12503 55.54645 23.30575 35.44475       32.83177 
1 1 1 11 10 19  o 69.05311 24.56099 0.4177646      0.2945504     0.000000       0.000000      0.4177646      0.2945504     ?        ?        69.05311 24.56099 0.000000       24.56099 
1 1 1 11 10 20  o 37.95614 16.55591 0.6806090E-02  0.1634389     0.000000       0.000000      0.6806090E-02  0.1634389     ?        ?        37.95614 16.55591 0.000000       16.55591 
1 1 1 11 10 21  o 58.39963 22.31836 0.2575625      0.2508238     0.000000       0.000000      0.2575625      0.2508238     ?        ?        58.39963 22.31836 0.000000       22.31836 
1 1 1 11 10 22  o 24.81252 11.75747 -0.1135950     0.1076776     0.000000       0.000000      -0.1135950     0.1076776     ?        ?        24.81252 11.75747 0.000000       11.75747 
1 1 1 11 10 23  o 54.45031 21.40841 0.2016526      0.2357711     0.000000       0.000000      0.2016526      0.2357711     ?        ?        54.45031 21.40841 0.000000       21.40841 
1 1 1 11 10 24  o 33.84402 15.18978 -0.3800150E-01 0.1474775     0.000000       0.000000      -0.3800150E-01 0.1474775     ?        ?        33.84402 15.18978 0.000000       15.18978 
1 1 1 11 10 25  o 103.1231 19.84115 0.8750310      0.2722709     1.172204       0.3793059     0.5591529      0.3910615     114.9430 24.63875 76.69091 28.16102 38.25208       37.41806 
1 1 1 11 10 26  o 40.81836 17.81347 0.1424087E-01  0.1894271     0.000000       0.000000      0.1424087E-01  0.1894271     ?        ?        40.81836 17.81347 0.000000       17.81347 
1 1 1 11 10 27  o 68.89575 24.90532 0.4143749      0.3041487     0.000000       0.000000      0.4143749      0.3041487     ?        ?        68.89575 24.90532 0.000000       24.90532 
1 1 1 11 10 28  o 22.31716 10.80512 -0.1545727     0.1024126     0.000000       0.000000      -0.1545727     0.1024126     ?        ?        22.31716 10.80512 0.000000       10.80512 
1 1 1 11 10 29  o 45.92531 19.29814 0.8352749E-01  0.2073730     0.000000       0.000000      0.8352749E-01  0.2073730     ?        ?        45.92531 19.29814 0.000000       19.29814 
1 1 1 11 10 30  f 52.71486 21.25874 0.1716389      0.2384020     0.000000       0.000000      0.1716389      0.2384020     ?        ?        52.71486 21.25874 0.000000       21.25874 
1 1 1 11 10 31  o 35.40678 15.32120 0.9848624E-02  0.1377013     -0.9627226E-01 0.2170872     0.8129232E-01  0.1781212     38.43359 17.70085 43.60330 18.06932 -5.169716      25.29467 
1 1 1 11 10 32  o 41.49923 17.10373 0.7350041E-01  0.1583819     0.2458126E-01  0.2369968     0.1129799      0.2129065     45.01860 19.77817 47.84982 19.78600 -2.831219      27.97609 
1 1 1 11 10 33  o ?        ?        -0.4871818     0.6794245E-01 -0.4871818     0.6794245E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 34  o 51.99905 19.31492 0.1989641      0.1849028     0.1801505      0.2746055     0.2145690      0.2500940     54.49019 22.49634 55.40101 21.96397 -0.9108200     31.44044 
1 1 1 11 10 35  o 107.0018 16.51626 0.9042554      0.2361728     0.8596143      0.2905342     0.9912187      0.4055062     99.87468 21.68837 100.1290 28.15344 -0.2543411     35.53873 
1 1 1 11 10 36  o 94.32672 17.25275 0.7155514      0.2164336     0.5285090      0.2646212     1.093523       0.3761699     76.49266 23.10581 108.5357 25.52781 -32.04305      34.43178 
1 1 1 11 10 37  o 71.92986 16.15979 0.4156230      0.1565859     0.4708306      0.2211171     0.3600859      0.2217761     73.54381 20.82855 64.47731 21.36937 9.066498       29.84088 
1 1 1 11 10 38  o 55.58920 16.29133 0.2497850      0.1331220     0.2044166      0.1864368     0.2969756      0.1901439     51.97003 19.37692 59.43644 19.79102 -7.466408      27.69746 
1 1 1 11 10 39  o 46.66351 15.94889 0.1666469      0.1234866     0.7507648E-01  0.1748786     0.2577119      0.1743953     42.34495 17.75397 55.91090 18.95420 -13.56595      25.97046 
1 1 1 11 10 40  o 46.59912 15.78681 0.1678894      0.1209790     0.2536869      0.1718222     0.8353838E-01  0.1703675     55.32718 18.81356 42.38419 17.62671 12.94299       25.78083 
1 1 1 11 10 41  f 37.17176 14.44301 0.8223523E-01  0.1062928     0.1161275E-01  0.1462980     0.1611969      0.1546946     35.78201 15.63410 46.88053 17.61673 -11.09853      23.55365 
1 1 1 11 10 42  o 47.97668 15.88490 0.1839717      0.1225574     0.6783263E-01  0.1735690     0.2994530      0.1730767     41.26355 17.51375 58.82436 18.83585 -17.56081      25.72004 
1 1 1 11 10 43  o 46.72062 15.97733 0.1738848      0.1239280     0.2419383      0.1730920     0.1023106      0.1775128     53.41718 18.84632 43.35801 18.00886 10.05917       26.06728 
1 1 1 11 10 44  o 41.65269 16.14437 0.1182341      0.1325579     0.2807707      0.1591514     -0.2499260     0.2395263     56.74460 18.05087 34.29688 16.58568 22.44772       24.51364 
1 1 1 11 10 45  o 47.43755 17.35031 0.1822250      0.1482344     0.1736380      0.1773533     0.2021270      0.2700018     47.50500 18.60101 51.82942 21.91225 -4.324425      28.74273 
1 1 1 11 10 46  o 55.60545 18.04255 0.2767282      0.1584083     0.2299032      0.1923564     0.3754023      0.2792346     51.41991 19.57003 60.37709 23.42333 -8.957184      30.52276 
1 1 1 11 10 47  o 29.70161 13.17804 -0.5242516E-02 0.1077165     0.5539367E-01  0.1326950     -0.1224011     0.1844487     36.21236 15.33840 32.50985 15.40005 3.702511       21.73541 
1 1 1 11 10 48  o 47.73999 17.05054 0.1988666      0.1420926     0.5612170E-01  0.1744851     0.4799140      0.2448318     38.93755 17.04175 66.63536 22.45868 -27.69781      28.19244 
1 1 1 11 10 49  o 37.09454 15.03047 0.8744881E-01  0.1197849     -0.1266546E-01 0.1485130     0.2738190      0.2026304     33.11641 15.01779 52.70551 20.07953 -19.58910      25.07432 
1 1 1 11 10 50  f 25.51234 11.66525 -0.3241159E-01 0.9198029E-01 -0.6900579E-01 0.1164922     0.2817484E-01  0.1498920     26.79811 12.55160 34.99990 15.53625 -8.201796      19.97293 
1 1 1 11 10 51  o 25.24766 11.36042 -0.1446973E-01 0.8308137E-01 0.2935227E-01  0.1155570     -0.6135966E-01 0.1195335     31.87885 13.91265 27.29107 12.76080 4.587776       18.87856 
1 1 1 11 10 52  o 15.64405 7.679613 -0.1022299     0.5704875E-01 -0.1350786     0.7946104E-01 -0.6728684E-01 0.8195499E-01 18.43517 9.052530 21.77700 10.30095 -3.341829      13.71342 
1 1 1 11 10 53  o 37.06418 15.11318 0.1082730      0.1220204     0.2757547      0.1514724     -0.2013064     0.2059378     50.97012 17.65285 29.90792 14.66335 21.06220       22.94857 
1 1 1 11 10 54  o 21.35201 10.09593 -0.5868979E-01 0.7858476E-01 -0.1468654     0.9802403E-01 0.9992099E-01  0.1314694     20.52122 10.07234 36.10777 15.27927 -15.58655      18.30050 
1 1 1 11 10 55  o 38.15546 15.55624 0.1409686      0.1292595     0.2036070      0.1564147     0.6059161E-02  0.2295506     42.40860 17.17839 34.92010 16.71883 7.488495       23.97116 
1 1 1 11 10 56  o 23.80522 11.13465 -0.3237701E-01 0.9114201E-01 -0.4191448E-01 0.1094137     -0.1075698E-01 0.1647340     25.27803 11.94015 30.54721 14.49448 -5.269180      18.77917 
1 1 1 11 10 57  o 34.22905 14.17717 0.1170502      0.1095680     0.1369098      0.1531533     0.9622908E-01  0.1568168     35.56094 15.74869 33.56049 15.30093 2.000454       21.95768 
1 1 1 11 10 58  o 37.43019 15.07411 0.1761454      0.1196886     0.3544535      0.1662952     -0.1549549E-01 0.1724004     46.79819 18.09821 28.77494 13.95272 18.02325       22.85221 
1 1 1 11 10 59  o 22.97953 10.57797 0.4070573E-02  0.7739243E-01 0.1040851      0.9564400E-01 -0.1856098     0.1317157     31.01586 13.07331 21.22302 10.62524 9.792839       16.84657 
1 1 1 11 10 60  f 38.82275 15.03202 0.2313989      0.1148289     0.2737648      0.1444471     0.1586547      0.1892777     38.29741 16.10023 30.98084 14.92267 7.316574       21.95230 
1 1 1 11 10 61  o 32.75834 13.46265 0.1617187      0.9777881E-01 0.4736314E-01  0.1330225     0.2961277      0.1442149     25.80188 12.44879 37.08802 15.85839 -11.28614      20.16088 
1 1 1 11 10 62  f 28.50614 12.34221 0.1259543      0.8946164E-01 0.2883660      0.1245302     -0.4725678E-01 0.1286038     36.18813 15.06167 21.61187 10.77006 14.57627       18.51616 
1 1 1 11 10 63  o 21.37288 10.23759 0.3129617E-01  0.8629849E-01 0.2596882E-01  0.1305518     0.3543057E-01  0.1150094     22.07842 10.97784 22.10262 10.86099 -0.2420235E-01 15.44261 
1 1 1 11 10 64  o 26.86622 12.78050 0.2579310      0.1296812     0.3310525      0.1808650     0.1805668      0.1860383     25.15410 12.57201 22.60049 11.47057 2.553610       17.01850 
1 1 1 11 10 65  o 21.98431 10.78801 0.1625733      0.1122464     0.2731668      0.1271893     -0.2268782     0.2386779     24.31127 11.83318 17.80447 9.230323 6.506798       15.00743 
1 1 1 11 10 66  f 19.27907 9.682996 0.1461423      0.1137288     0.1389347      0.1288545     0.1715494      0.2419258     18.71460 9.503272 17.86720 9.263778 0.8473988      13.27139 
1 1 1 11 10 67  o 17.09791 8.640478 0.1121526      0.9853297E-01 0.7639737E-01  0.1215361     0.1807261      0.1683115     16.16497 8.290638 16.62907 8.582047 -0.4641018     11.93257 
1 1 1 11 10 68  o 14.09067 7.215658 0.1797521E-01  0.8839247E-01 0.1274721      0.1103566     -0.1780052     0.1476399     15.35656 7.877712 13.21113 6.858767 2.145428       10.44514 
1 1 1 11 10 69  o 14.14680 7.298309 0.1680531      0.1194528     0.1694808      0.1636290     0.1664241      0.1747858     13.62921 7.078582 13.54797 7.041333 0.8124161E-01  9.984323 
1 1 1 11 10 70  o 12.28313 6.342856 0.3134771E-01  0.9454110E-01 0.2092463E-02  0.1272175     0.6743295E-01  0.1412895     12.10585 6.286431 12.38466 6.434950 -0.2788038     8.995988 
1 1 1 11 10 71  o 11.49154 5.939402 0.4403803E-01  0.8717585E-01 0.3361065E-02  0.1094788     0.1145195      0.1441096     11.20259 5.817711 11.58268 6.024686 -0.3800907     8.375118 
1 1 1 11 10 72  o 11.01566 5.717768 0.1442732      0.1008714     0.2450301      0.1278549     -0.2183685E-01 0.1641640     11.10394 5.774646 10.28848 5.358023 0.8154573      7.877496 
1 1 1 11 10 73  o 9.524157 4.952498 0.5738714E-01  0.9257228E-01 -0.5986233E-02 0.1169125     0.1638975      0.1515666     9.288229 4.836027 9.581384 4.989799 -0.2931547     6.948759 
1 1 1 11 10 74  o 8.794872 4.579140 0.1701536      0.1060129     0.1757535      0.1363038     0.1615792      0.1686626     8.643723 4.501613 8.546718 4.448476 0.9700584E-01  6.328780 
1 1 1 11 10 75  o 7.285651 3.793847 -0.4716026E-01 0.7572340E-01 -0.3033161E-01 0.9566846E-01 -0.7538853E-01 0.1239042     7.380543 3.843779 7.360793 3.831450 0.1974964E-01  5.427213 
1 1 1 11 10 76  o 6.705371 3.491272 0.6776436E-01  0.9238945E-01 0.7254795E-01  0.1177255     0.6009424E-01  0.1490715     6.675661 3.472557 ?        ?        0.000000       3.472557 
1 1 1 11 10 77  o ?        ?        0.1434723      0.1214160     0.1159414      0.1732431     0.1700488      0.1702133     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 78  o ?        ?        0.6153533E-01  0.1055316     0.1840485E-01  0.1483475     0.1057246      0.1501573     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 79  o ?        ?        0.2670238E-01  0.9785496E-01 0.1181842      0.1402427     -0.6009460E-01 0.1366046     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 80  o ?        ?        -0.1440414E-01 0.8863153E-01 -0.9076055E-01 0.1039704     0.1886291      0.1695394     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 81  o ?        ?        0.3193764E-01  0.9559298E-01 -0.9403606E-01 0.1187705     0.2636319      0.1610742     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 82  o ?        ?        0.1152065      0.1118874     0.1893563      0.1305815     -0.8958545E-01 0.2170116     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 83  o ?        ?        0.4113408E-01  0.1225186     0.1332986      0.1554212     -0.1101477     0.1991232     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 10 84  o ?        ?        0.1779563      0.2726032     0.1779563      0.2726032     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 0   o 43.83056 24.56162 0.2189799      0.2236344     0.000000       0.000000      0.2189799      0.2236344     43.83056 24.56162 43.83056 24.56162 0.000000       0.000000 
1 1 1 11 11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 7   o 64.12379 19.88713 0.3456704      0.1943919     0.5358719      0.2803902     0.1696407      0.2697422     76.76659 23.89696 53.69670 22.24276 23.06989       32.64667 
1 1 1 11 11 8   f 64.81160 24.02543 0.3601812      0.2858023     0.000000       0.000000      0.3601812      0.2858023     ?        ?        64.81160 24.02543 0.000000       24.02543 
1 1 1 11 11 9   o 36.12258 16.10756 -0.2355942E-01 0.1629917     0.000000       0.000000      -0.2355942E-01 0.1629917     ?        ?        36.12258 16.10756 0.000000       16.10756 
1 1 1 11 11 10  o 38.16934 16.88888 -0.8023168E-02 0.1757524     0.000000       0.000000      -0.8023168E-02 0.1757524     ?        ?        38.16934 16.88888 0.000000       16.88888 
1 1 1 11 11 11  o 31.01372 14.40450 -0.9639888E-01 0.1482840     0.000000       0.000000      -0.9639888E-01 0.1482840     ?        ?        31.01372 14.40450 0.000000       14.40450 
1 1 1 11 11 12  o 84.36170 27.97030 0.7157829      0.3799361     0.000000       0.000000      0.7157829      0.3799361     ?        ?        84.36170 27.97030 0.000000       27.97030 
1 1 1 11 11 13  o 70.65555 25.52784 0.4635328      0.3194813     0.000000       0.000000      0.4635328      0.3194813     ?        ?        70.65555 25.52784 0.000000       25.52784 
1 1 1 11 11 14  o 71.80656 25.74148 0.4852633      0.3241494     0.000000       0.000000      0.4852633      0.3241494     ?        ?        71.80656 25.74148 0.000000       25.74148 
1 1 1 11 11 15  f 33.47373 15.13268 -0.4460984E-01 0.1494429     0.000000       0.000000      -0.4460984E-01 0.1494429     ?        ?        33.47373 15.13268 0.000000       15.13268 
1 1 1 11 11 16  o 37.13653 16.66821 -0.2931603E-01 0.1776021     0.000000       0.000000      -0.2931603E-01 0.1776021     ?        ?        37.13653 16.66821 0.000000       16.66821 
1 1 1 11 11 17  o ?        ?        -0.2441228     0.5863209E-01 -0.2441228     0.5863209E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 20  o 140.1098 30.42159 2.045143       0.5716874     2.045143       0.5716874     0.000000       0.000000      140.1098 30.42159 ?        ?        0.000000       30.42159 
1 1 1 11 11 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 23  o 34.31504 15.45679 -0.3104802E-01 0.1542770     0.000000       0.000000      -0.3104802E-01 0.1542770     ?        ?        34.31504 15.45679 0.000000       15.45679 
1 1 1 11 11 24  o 35.61320 15.56672 0.1153117E-01  0.1451717     0.3243558      0.2224270     -0.2206157     0.1916101     60.37642 21.35726 31.08302 14.98260 29.29341       26.08852 
1 1 1 11 11 25  o 11.71375 5.943619 -0.1793151     0.4972553E-01 -0.1993780     0.1413776     -0.1764828     0.5311961E-01 25.96851 12.60182 12.49505 6.317906 13.47346       14.09687 
1 1 1 11 11 26  o 14.20729 7.015682 -0.1065900     0.5000310E-01 -0.3196508     0.1379353     -0.7435452E-01 0.5365258E-01 22.30315 11.12081 16.61029 7.986670 5.692860       13.69158 
1 1 1 11 11 27  o 64.13991 20.94819 0.3822535      0.2134082     0.1233281      0.3148763     0.6022418      0.2902367     50.83629 22.54418 76.79629 24.37074 -25.96000      33.19900 
1 1 1 11 11 28  f 47.34380 16.77847 0.1799920      0.1373396     0.2614135      0.1711386     0.3269213E-01  0.2301864     54.78853 18.77539 42.84401 19.12063 11.94452       26.79765 
1 1 1 11 11 29  o 37.34786 16.14726 0.3872347E-01  0.1526868     0.2303082      0.2392957     -0.9283966E-01 0.1982995     52.82836 21.30064 35.31428 16.48686 17.51408       26.93574 
1 1 1 11 11 30  o 33.90571 14.77734 0.1839409E-01  0.1299762     -0.2037280     0.2087722     0.1589787      0.1660909     32.60500 15.69674 45.98876 18.00254 -13.38376      23.88470 
1 1 1 11 11 31  o 39.41742 16.54946 0.7758269E-01  0.1522972     0.8482937E-02  0.2380199     0.1254840      0.1981748     41.64428 18.93388 44.90865 18.86782 -3.264370      26.72987 
1 1 1 11 11 32  o 26.18672 12.15548 -0.6202808E-01 0.1053549     -0.5227711E-01 0.1668599     -0.6849259E-01 0.1358613     33.61658 15.49565 29.70815 13.79474 3.908430       20.74632 
1 1 1 11 11 33  o 37.22674 15.98103 0.5478821E-01  0.1475023     0.1133006      0.2312893     0.1467674E-01  0.1914987     45.06460 19.67464 38.33930 17.24964 6.725304       26.16566 
1 1 1 11 11 34  o 15.77112 7.774791 -0.1205642     0.6052376E-01 -0.2390916     0.1328893     -0.8954342E-01 0.6798405E-01 23.22009 11.46081 18.60748 8.957850 4.612612       14.54624 
1 1 1 11 11 35  o 35.42072 15.29077 0.4562334E-01  0.1364993     -0.8401186E-01 0.2080788     0.1435515      0.1808507     35.26001 16.59723 44.03201 18.22384 -8.772007      24.64907 
1 1 1 11 11 36  f 36.74543 15.21961 0.7950813E-01  0.1262757     0.1196278      0.2225019     0.6044673E-01  0.1533672     43.78532 19.20180 37.28067 16.15063 6.504650       25.09088 
1 1 1 11 11 37  o 27.00445 11.91860 0.9215617E-03  0.8698964E-01 0.2183914E-01  0.1195535     -0.2261266E-01 0.1268109     32.01258 14.05620 30.18952 13.76224 1.823063       19.67171 
1 1 1 11 11 38  o 34.34577 14.97959 0.4422512E-01  0.1337672     -0.8895223E-01 0.2012076     0.1497119      0.1790722     33.66879 15.98821 42.99426 17.99187 -9.325474      24.06928 
1 1 1 11 11 39  o 31.04832 14.09369 -0.4876244E-02 0.1312075     0.2088586      0.2015843     -0.1619814     0.1728281     46.15233 19.18208 28.86085 13.98865 17.29148       23.74099 
1 1 1 11 11 40  o 28.50366 12.98850 -0.1387519E-01 0.1128091     -0.2149728     0.1754539     0.1278417      0.1472891     27.39928 13.45378 39.62016 16.42597 -12.22087      21.23244 
1 1 1 11 11 41  o 14.21425 7.076021 -0.1254101     0.5490864E-01 -0.1846057     0.9900554E-01 -0.9911448E-01 0.6598676E-01 19.62285 9.722864 17.40475 8.482821 2.218098       12.90319 
1 1 1 11 11 42  o 30.97178 13.96810 0.2064284E-01  0.1264444     0.2594308E-01  0.1949686     0.1679527E-01  0.1661156     35.22343 16.41201 33.38843 15.41516 1.835003       22.51624 
1 1 1 11 11 43  o 35.86116 15.72417 0.9714270E-01  0.1491525     0.1529412      0.2249537     0.5336910E-01  0.1992453     39.90244 18.24416 35.60661 16.59071 4.295830       24.65970 
1 1 1 11 11 44  o 18.99031 9.296735 -0.1160965     0.8185517E-01 -0.7227288E-01 0.1464031     -0.1360258     0.9872837E-01 27.61598 13.25609 20.61630 10.11688 6.999674       16.67559 
1 1 1 11 11 45  o 28.52929 12.93988 0.2470624E-01  0.1103208     0.3114949E-02  0.2024344     0.3382771E-01  0.1315763     32.30790 15.52925 30.31629 13.89491 1.991610       20.83809 
1 1 1 11 11 46  o 23.35684 10.77430 -0.1139995E-01 0.8089000E-01 -0.1861260E-01 0.1173501     -0.4870533E-02 0.1116538     26.36551 12.42681 26.56164 12.39075 -0.1961269     17.54869 
1 1 1 11 11 47  o 25.70879 11.84236 0.1087487E-01  0.9722363E-01 0.1707640      0.1195647     -0.3011742     0.1670340     37.07338 15.01849 22.37603 11.30087 14.69735       18.79533 
1 1 1 11 11 48  o 24.95378 11.66640 0.3828835E-02  0.9985343E-01 -0.2119078E-01 0.1264027     0.4535805E-01  0.1628519     25.61195 12.30030 29.42237 14.08542 -3.810415      18.70017 
1 1 1 11 11 49  o 22.41320 10.75496 -0.3291237E-01 0.9618477E-01 0.7446770E-01  0.1212510     -0.2151829     0.1579726     28.64116 13.20466 22.15150 11.16284 6.489664       17.29081 
1 1 1 11 11 50  o 24.52636 11.62432 0.1924487E-01  0.1053616     0.8204184E-01  0.1299570     -0.1012012     0.1799810     27.87455 13.11955 24.36599 12.23006 3.508556       17.93591 
1 1 1 11 11 51  o 21.16702 10.22970 -0.2326385E-01 0.9075695E-01 -0.7023836E-01 0.1145279     0.5602610E-01  0.1487953     21.20028 10.49602 26.00992 12.69032 -4.809647      16.46847 
1 1 1 11 11 52  o 25.86697 12.29199 0.1002985      0.1193354     0.6586108E-01  0.1499770     0.1597281      0.1970201     24.70800 12.19150 26.49166 13.22228 -1.783661      17.98503 
1 1 1 11 11 53  o 16.35845 8.141963 -0.7782876E-01 0.7256333E-01 -0.1330484     0.9673563E-01 -0.6780162E-02 0.1097280     17.03316 8.602197 20.85620 10.31641 -3.823042      13.43227 
1 1 1 11 11 54  o 23.33528 11.68857 0.1634063      0.1603289     0.6227111E-01  0.2344504     0.2522500      0.2197421     21.62168 11.11326 23.46643 11.96302 -1.844755      16.32845 
1 1 1 11 11 55  o 18.14571 9.142936 -0.1960251E-01 0.1057722     -0.2906496     0.1594562     0.1933699      0.1413451     16.54660 8.531878 22.50095 11.22549 -5.954342      14.09980 
1 1 1 11 11 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 57  o 17.26782 8.942501 0.1215734      0.2092776     0.1215734      0.2092776     0.000000       0.000000      17.26782 8.942501 ?        ?        0.000000       8.942501 
1 1 1 11 11 58  o 9.882441 5.078736 -0.1542790     0.4962462E-01 -0.1542790     0.4962462E-01 0.000000       0.000000      9.882441 5.078736 ?        ?        0.000000       5.078736 
1 1 1 11 11 59  o 13.62769 7.028176 -0.2923656E-01 0.1091216     0.6982293E-01  0.1475611     -0.1487846     0.1621045     14.42011 7.469038 13.42000 6.971304 1.000113       10.21693 
1 1 1 11 11 60  o 10.40956 5.366327 -0.1374756     0.6247922E-01 -0.1912014     0.8327144E-01 -0.6826974E-01 0.9450960E-01 10.89834 5.643825 12.25300 6.327816 -1.354659      8.479033 
1 1 1 11 11 61  o 12.37343 6.407006 0.1761149E-01  0.1066486     -0.1616097E-02 0.1284077     0.6037008E-01  0.1914875     12.29114 6.381502 12.50111 6.506796 -0.2099676     9.113833 
1 1 1 11 11 62  o 10.17115 5.259978 -0.1093697     0.6955335E-01 -0.8076791E-01 0.8086980E-01 -0.1906535     0.1363301     10.71087 5.547254 10.92183 5.683216 -0.2109642     7.941724 
1 1 1 11 11 63  o 10.15616 5.267201 -0.5746751E-01 0.8008099E-01 -0.1318732     0.1077729     0.3425826E-01  0.1196609     10.09809 5.252217 10.78938 5.610651 -0.6912889     7.685389 
1 1 1 11 11 64  o 10.14136 5.265259 0.5394146E-01  0.8729632E-01 0.1014630E-01  0.1084540     0.1345250      0.1471147     9.901823 5.151651 10.16454 5.292980 -0.2627125     7.386146 
1 1 1 11 11 65  o 9.228958 4.799131 0.6154115E-01  0.8731931E-01 0.8083992E-01  0.1093472     0.2757488E-01  0.1450664     9.205965 4.792744 9.042426 4.708883 0.1635389      6.718926 
1 1 1 11 11 66  o 8.371070 4.357911 0.6343003E-01  0.8963059E-01 0.8450039E-01  0.1120603     0.2601263E-01  0.1493320     8.354683 4.351016 8.227361 4.282824 0.1273222      6.105237 
1 1 1 11 11 67  o 7.244105 3.771472 -0.3311802E-01 0.6883620E-01 -0.1190847     0.9275103E-01 0.7229386E-01  0.1027066     7.146315 3.721617 7.504627 3.908362 -0.3583117     5.396825 
1 1 1 11 11 68  o 6.757443 3.519055 0.8164732E-01  0.8357047E-01 -0.3258821E-01 0.1157042     0.2062403      0.1208357     6.582770 3.424227 6.800297 3.537747 -0.2175274     4.923513 
1 1 1 11 11 69  o 5.870802 3.054794 0.6612569E-02  0.8539031E-01 0.3502561E-01  0.1315394     -0.1408183E-01 0.1122596     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 70  o 5.163005 2.683228 -0.6120979E-02 0.8183532E-01 -0.8269715E-01 0.1211767     0.5808919E-01  0.1109620     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 71  o ?        ?        -0.7239189E-02 0.8082893E-01 -0.2920163E-01 0.1220595     0.9913706E-02  0.1078698     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 72  o ?        ?        -0.1668916     0.4030250E-01 -0.2016183     0.4893736E-01 -0.9369111E-01 0.7105023E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 73  o ?        ?        0.1346335      0.1000294     0.1604411      0.1255652     0.8980786E-01  0.1654847     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 74  o ?        ?        0.7870207E-01  0.1040855     0.1023847      0.1423928     0.5152829E-01  0.1525273     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 75  o ?        ?        -0.2370486E-01 0.7883186E-01 0.4349701E-01  0.1005482     -0.1309119     0.1269976     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 76  o ?        ?        0.8976956E-01  0.1218352     0.3384995E-01  0.1486023     0.2044369      0.2127960     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 11 77  o ?        ?        0.4381911E-01  0.1980987     0.4381911E-01  0.1980987     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 1   o 41.92446 18.07339 0.1036022      0.1901695     0.000000       0.000000      0.1036022      0.1901695     ?        ?        41.92446 18.07339 0.000000       18.07339 
1 1 1 11 12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 7   o 55.23566 22.80457 0.3447551      0.2821901     0.3447551      0.2821901     0.000000       0.000000      55.23566 22.80457 ?        ?        0.000000       22.80457 
1 1 1 11 12 8   o 27.98160 13.28301 -0.1035895     0.1386483     0.000000       0.000000      -0.1035895     0.1386483     ?        ?        27.98160 13.28301 0.000000       13.28301 
1 1 1 11 12 9   o 35.74330 16.04200 0.2044357E-01  0.1644846     0.000000       0.000000      0.2044357E-01  0.1644846     ?        ?        35.74330 16.04200 0.000000       16.04200 
1 1 1 11 12 10  o 40.09887 17.90926 0.6629512E-01  0.2023599     0.000000       0.000000      0.6629512E-01  0.2023599     ?        ?        40.09887 17.90926 0.000000       17.90926 
1 1 1 11 12 11  o 48.79410 20.90454 0.2269679      0.2514775     0.000000       0.000000      0.2269679      0.2514775     ?        ?        48.79410 20.90454 0.000000       20.90454 
1 1 1 11 12 12  o 50.27995 21.48108 0.2625943      0.2642086     0.000000       0.000000      0.2625943      0.2642086     ?        ?        50.27995 21.48108 0.000000       21.48108 
1 1 1 11 12 13  o 37.88924 17.22741 0.3162806E-01  0.1970774     0.000000       0.000000      0.3162806E-01  0.1970774     ?        ?        37.88924 17.22741 0.000000       17.22741 
1 1 1 11 12 14  o 36.58755 16.74890 0.1280042E-01  0.1903827     0.000000       0.000000      0.1280042E-01  0.1903827     ?        ?        36.58755 16.74890 0.000000       16.74890 
1 1 1 11 12 15  o 35.06809 16.20921 -0.1139744E-01 0.1844496     0.000000       0.000000      -0.1139744E-01 0.1844496     ?        ?        35.06809 16.20921 0.000000       16.20921 
1 1 1 11 12 16  o 46.60783 20.42483 0.2105040      0.2513466     0.000000       0.000000      0.2105040      0.2513466     ?        ?        46.60783 20.42483 0.000000       20.42483 
1 1 1 11 12 17  o 40.09398 16.64359 0.1273530      0.1514938     0.1076134      0.2229980     0.1442712      0.2064472     41.32278 18.60106 42.52434 18.57621 -1.201565      26.28831 
1 1 1 11 12 18  o 27.68174 13.14521 -0.8551226E-01 0.1360151     0.000000       0.000000      -0.8551226E-01 0.1360151     ?        ?        27.68174 13.14521 0.000000       13.14521 
1 1 1 11 12 19  o 41.10046 18.47073 0.1214939      0.2188333     0.000000       0.000000      0.1214939      0.2188333     ?        ?        41.10046 18.47073 0.000000       18.47073 
1 1 1 11 12 20  o 32.20088 15.06345 -0.2933792E-01 0.1668938     0.000000       0.000000      -0.2933792E-01 0.1668938     ?        ?        32.20088 15.06345 0.000000       15.06345 
1 1 1 11 12 21  o 41.85871 18.87029 0.1536558      0.2304957     0.000000       0.000000      0.1536558      0.2304957     ?        ?        41.85871 18.87029 0.000000       18.87029 
1 1 1 11 12 22  f 35.35992 16.41693 0.2802445E-01  0.1923197     0.000000       0.000000      0.2802445E-01  0.1923197     ?        ?        35.35992 16.41693 0.000000       16.41693 
1 1 1 11 12 23  o 40.21189 17.09498 0.1564927      0.1658351     0.2098282      0.2320395     0.1008080      0.2370948     43.04171 19.20398 38.97637 18.13984 4.065338       26.41679 
1 1 1 11 12 24  o 39.41434 18.20800 0.1324309      0.2322659     0.000000       0.000000      0.1324309      0.2322659     ?        ?        39.41434 18.20800 0.000000       18.20800 
1 1 1 11 12 25  o 32.34345 15.19360 0.2697215E-02  0.1728493     0.000000       0.000000      0.2697215E-02  0.1728493     ?        ?        32.34345 15.19360 0.000000       15.19360 
1 1 1 11 12 26  o 12.60292 6.394741 -0.1917297     0.5755245E-01 -0.4511529     0.7908004E-01 0.1004077      0.8391815E-01 ?        ?        33.80460 12.91167 0.000000       12.91167 
1 1 1 11 12 27  o 32.53074 15.44858 0.1657627E-01  0.1879011     0.000000       0.000000      0.1657627E-01  0.1879011     ?        ?        32.53074 15.44858 0.000000       15.44858 
1 1 1 11 12 28  f 31.51170 15.06196 0.4573168E-02  0.1846357     0.000000       0.000000      0.4573168E-02  0.1846357     ?        ?        31.51170 15.06196 0.000000       15.06196 
1 1 1 11 12 29  o 19.06984 9.470645 -0.1615732     0.9603084E-01 0.000000       0.000000      -0.1615732     0.9603084E-01 ?        ?        19.06984 9.470645 0.000000       9.470645 
1 1 1 11 12 30  o 30.40716 14.62757 0.9830918E-02  0.1804856     0.000000       0.000000      0.9830918E-02  0.1804856     ?        ?        30.40716 14.62757 0.000000       14.62757 
1 1 1 11 12 31  o 38.98597 18.71263 0.3764126      0.2916291     0.000000       0.000000      0.3764126      0.2916291     ?        ?        38.98597 18.71263 0.000000       18.71263 
1 1 1 11 12 32  o 37.15163 16.62932 0.2316278      0.1754919     0.2571604      0.2434587     0.2040125      0.2531936     36.00466 17.23276 34.53536 16.78328 1.469299       24.05507 
1 1 1 11 12 33  o 29.71159 14.52275 0.5023389E-01  0.1974471     0.000000       0.000000      0.5023389E-01  0.1974471     ?        ?        29.71159 14.52275 0.000000       14.52275 
1 1 1 11 12 34  o 28.74436 13.56151 0.7441755E-01  0.1403937     0.1001677E-01  0.1935543     0.1459194      0.2039463     27.88651 13.77666 31.20273 15.14042 -3.316221      20.47019 
1 1 1 11 12 35  o 28.18870 13.44104 0.8204109E-01  0.1451897     0.5156595E-01  0.2127833     0.1085909      0.1986074     28.04513 13.95603 29.14887 14.31310 -1.103745      19.99089 
1 1 1 11 12 36  f 23.96951 11.69345 -0.7630441E-02 0.1262345     0.1711640      0.1871043     -0.1570109     0.1710226     29.69251 14.42927 22.62172 11.42614 7.070791       18.40545 
1 1 1 11 12 37  o 11.97754 6.094326 -0.1702076     0.5493759E-01 -0.1649928     0.9703659E-01 -0.1726676     0.6664757E-01 17.29404 8.719294 13.66394 6.927593 3.630101       11.13632 
1 1 1 11 12 38  o 25.55072 12.52833 0.9847767E-01  0.1504516     0.6611536E-01  0.2192413     0.1272827      0.2068411     24.95795 12.64399 25.84901 12.99306 -0.8910580     18.12981 
1 1 1 11 12 39  o 16.58342 8.350591 -0.1257568     0.8748724E-01 -0.4199076E-01 0.1356903     -0.1853550     0.1144540     21.12005 10.60336 17.46462 8.877369 3.655430       13.82891 
1 1 1 11 12 40  f 19.23485 9.737531 -0.8595934E-01 0.1285332     0.000000       0.000000      -0.8595934E-01 0.1285332     ?        ?        19.23485 9.737531 0.000000       9.737531 
1 1 1 11 12 41  o 21.30506 10.70036 0.6719286E-01  0.1388492     0.1631338      0.1949632     -0.3155252E-01 0.1977922     22.34339 11.37937 20.33002 10.43678 2.013371       15.44074 
1 1 1 11 12 42  o 15.23397 7.743185 -0.1212047     0.8701026E-01 0.2845416E-01  0.1300264     -0.2425656     0.1170900     19.44561 9.838519 15.27853 7.852951 4.167079       12.58830 
1 1 1 11 12 43  o 18.27434 9.401338 0.1177236E-01  0.1769221     0.000000       0.000000      0.1177236E-01  0.1769221     ?        ?        18.27434 9.401338 0.000000       9.401338 
1 1 1 11 12 44  o 10.14090 5.216359 -0.2005788     0.5422279E-01 0.000000       0.000000      -0.2005788     0.5422279E-01 ?        ?        10.14090 5.216359 0.000000       5.216359 
1 1 1 11 12 45  o 15.79241 8.148823 -0.2294397E-01 0.1504476     0.000000       0.000000      -0.2294397E-01 0.1504476     ?        ?        15.79241 8.148823 0.000000       8.148823 
1 1 1 11 12 46  o 15.72670 8.180516 0.2296675      0.2669243     0.2296675      0.2669243     0.000000       0.000000      15.72670 8.180516 ?        ?        0.000000       8.180516 
1 1 1 11 12 47  o 14.23846 7.399876 0.5054516E-02  0.1918865     0.5054516E-02  0.1918865     0.000000       0.000000      14.23846 7.399876 ?        ?        0.000000       7.399876 
1 1 1 11 12 48  o 12.81756 6.654531 -0.1052616     0.1391405     -0.1052616     0.1391405     0.000000       0.000000      12.81756 6.654531 ?        ?        0.000000       6.654531 
1 1 1 11 12 49  o 13.07280 6.790864 0.8819088E-01  0.1536659     0.1044687      0.2186451     0.7230277E-01  0.2160117     12.97888 6.756790 12.91736 6.724967 0.6151199E-01  9.533068 
1 1 1 11 12 50  o 10.38883 5.368769 -0.1236060     0.7074879E-01 -0.1268432E-01 0.1403937     -0.1613623     0.8190946E-01 11.98207 6.228703 10.45817 5.421283 1.523901       8.257545 
1 1 1 11 12 51  o 9.767954 5.035739 -0.8796559E-01 0.5510458E-01 -0.3113664     0.1075935     -0.8530976E-02 0.6415769E-01 10.00058 5.201811 11.11283 5.714231 -1.112245      7.727307 
1 1 1 11 12 52  f 11.16346 5.805824 0.1345769      0.1297081     0.2644703      0.1602448     -0.1122383     0.2208900     11.33075 5.898108 10.62711 5.533882 0.7036457      8.087739 
1 1 1 11 12 53  o 10.42638 5.424872 0.1095541      0.1222683     0.5260566E-01  0.1505025     0.2200978      0.2096863     10.20574 5.314301 10.35177 5.390498 -0.1460361     7.569628 
1 1 1 11 12 54  o 9.437845 4.914894 0.5315374E-01  0.1350518     -0.1380831     0.1979702     0.2196184      0.1847034     9.226115 4.802192 9.585568 4.991304 -0.3594532     6.926339 
1 1 1 11 12 55  o 8.677717 4.519146 0.3314326E-01  0.1354162     0.1111040      0.1962289     -0.3774079E-01 0.1871110     8.721630 4.537612 8.607636 4.478435 0.1139936      6.375445 
1 1 1 11 12 56  o 7.791074 4.057366 -0.5844288E-01 0.1110542     0.1161210      0.1682969     -0.1930764     0.1478004     7.993556 4.158082 7.716488 4.015043 0.2770677      5.780158 
1 1 1 11 12 57  o ?        ?        -0.2231667     0.3856436E-01 -0.2094271     0.5726112E-01 -0.2345718     0.5217016E-01 6.389395 3.326923 ?        ?        0.000000       3.326923 
1 1 1 11 12 58  o 6.612781 3.438568 0.4924188E-02  0.1239111     -0.7118235E-01 0.1859188     0.6574803E-01  0.1662070     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 59  o ?        ?        0.7194913E-01  0.1430865     -0.4101257E-01 0.2139031     0.1634317      0.1924955     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 60  o ?        ?        -0.3562738E-01 0.1178266     0.4540965E-01  0.1822337     -0.9384147E-01 0.1544546     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 61  o ?        ?        0.1167447      0.1277229     -0.5748573E-01 0.2331727     0.1914298      0.1526627     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 62  o ?        ?        -0.2832702E-01 0.1140194     -0.6856789E-01 0.1763096     0.6007754E-03  0.1494858     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 63  o ?        ?        0.2042137      0.1735213     0.7567537E-01  0.2491105     0.3253618      0.2418433     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 64  o ?        ?        0.2861132      0.1539091     0.2526368      0.1878210     0.3545408      0.2685286     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 65  o ?        ?        0.2783357E-01  0.1028793     -0.2218184E-01 0.1264084     0.1259576      0.1770564     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 66  o ?        ?        -0.8116734E-01 0.7773637E-01 -0.6085796E-01 0.9752491E-01 -0.1165545     0.1287330     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 67  o ?        ?        -0.7439795E-01 0.1077477     0.3088335E-01  0.1518673     -0.1811083     0.1528945     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 12 68  o ?        ?        0.8382727E-02  0.1893660     0.8382727E-02  0.1893660     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 1   o 21.96817 10.97156 -0.7306241E-01 0.1365971     0.000000       0.000000      -0.7306241E-01 0.1365971     ?        ?        21.96817 10.97156 0.000000       10.97156 
1 1 1 11 13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 7   o 20.19558 10.16708 -0.1216159     0.1292661     -0.1216159     0.1292661     0.000000       0.000000      20.19558 10.16708 ?        ?        0.000000       10.16708 
1 1 1 11 13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 10  o 26.36786 13.32997 0.2088181      0.2358064     0.000000       0.000000      0.2088181      0.2358064     ?        ?        26.36786 13.32997 0.000000       13.32997 
1 1 1 11 13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 18  o 19.98802 10.06049 0.1506621E-01  0.1262051     0.6641538E-01  0.1758429     -0.3948431E-01 0.1812415     21.02056 10.71484 19.88227 10.19208 1.138287       14.78805 
1 1 1 11 13 19  o 19.36946 9.876226 -0.1854101E-01 0.1503393     0.000000       0.000000      -0.1854101E-01 0.1503393     ?        ?        19.36946 9.876226 0.000000       9.876226 
1 1 1 11 13 20  o ?        ?        -0.2354304     0.5638808E-01 0.000000       0.000000      -0.2354304     0.5638808E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 21  o ?        ?        -0.2128422     0.5684895E-01 0.000000       0.000000      -0.2128422     0.5684895E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 22  o 17.02030 8.747927 -0.8698247E-01 0.1449112     0.000000       0.000000      -0.8698247E-01 0.1449112     ?        ?        17.02030 8.747927 0.000000       8.747927 
1 1 1 11 13 23  o 18.50935 9.589269 0.1890848      0.2468634     0.000000       0.000000      0.1890848      0.2468634     ?        ?        18.50935 9.589269 0.000000       9.589269 
1 1 1 11 13 24  o 17.66666 9.151182 0.1089609      0.2224049     0.000000       0.000000      0.1089609      0.2224049     ?        ?        17.66666 9.151182 0.000000       9.151182 
1 1 1 11 13 25  o 16.48511 8.532866 -0.6181928E-02 0.1845752     0.000000       0.000000      -0.6181928E-02 0.1845752     ?        ?        16.48511 8.532866 0.000000       8.532866 
1 1 1 11 13 26  o 17.01915 8.774483 0.1739872      0.1677281     0.2976886      0.2318372     0.3813120E-01  0.2429602     17.03558 8.838243 16.09138 8.362078 0.9442062      12.16712 
1 1 1 11 13 27  o 15.72968 8.112860 0.6986705E-01  0.1458685     -0.4072871E-01 0.1973527     0.2030392      0.2165612     15.16563 7.874567 16.07438 8.344350 -0.9087534     11.47332 
1 1 1 11 13 28  o 15.41148 8.012932 0.1864470      0.2380471     0.000000       0.000000      0.1864470      0.2380471     ?        ?        15.41148 8.012932 0.000000       8.012932 
1 1 1 11 13 29  o 14.77137 7.688391 0.2821994      0.2697955     0.000000       0.000000      0.2821994      0.2697955     ?        ?        14.77137 7.688391 0.000000       7.688391 
1 1 1 11 13 30  o 11.65335 6.021115 -0.1659633     0.8804031E-01 0.000000       0.000000      -0.1659633     0.8804031E-01 ?        ?        11.65335 6.021115 0.000000       6.021115 
1 1 1 11 13 31  o 13.13025 6.828414 -0.1498977E-01 0.1787117     0.000000       0.000000      -0.1498977E-01 0.1787117     ?        ?        13.13025 6.828414 0.000000       6.828414 
1 1 1 11 13 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 35  o 11.73788 6.113227 0.1298257      0.2257850     0.1298257      0.2257850     0.000000       0.000000      11.73788 6.113227 ?        ?        0.000000       6.113227 
1 1 1 11 13 36  o 11.07964 5.762816 0.2774806E-01  0.1308233     0.2774806E-01  0.1308233     0.000000       0.000000      11.07964 5.762816 ?        ?        0.000000       5.762816 
1 1 1 11 13 37  o 10.93068 5.692303 0.2236945      0.1812070     0.2164192      0.2581972     0.2307559      0.2543765     10.75079 5.596588 10.76753 5.605417 -0.1674652E-01 7.921016 
1 1 1 11 13 38  f 9.927672 5.165266 -0.2981245E-01 0.1102159     -0.2210500     0.1673085     0.1168032      0.1464946     9.733196 5.068943 10.30981 5.368231 -0.5766172     7.383230 
1 1 1 11 13 39  o 9.083183 4.720472 -0.6922022E-01 0.7783753E-01 -0.4350481     0.1264336     0.1540582      0.9877510E-01 8.644537 4.501899 10.15954 5.280435 -1.514998      6.939026 
1 1 1 11 13 40  o 9.046302 4.711169 0.4334413E-01  0.1406131     0.1316363      0.2065393     -0.3293323E-01 0.1919727     9.090000 4.729807 8.959827 4.662938 0.1301727      6.641842 
1 1 1 11 13 41  o 8.478413 4.415359 -0.1333984E-02 0.1293403     -0.3203855E-02 0.1929733     0.1911855E-03  0.1742811     8.491688 4.417178 8.491362 4.418628 0.3261566E-03  6.247859 
1 1 1 11 13 42  o 8.094462 4.214075 0.1607265      0.1407288     0.2665380      0.2494616     0.1113340      0.1704386     ?        ?        8.002200 4.162391 0.000000       4.162391 
1 1 1 11 13 43  f 7.303547 3.802708 -0.9336685E-01 0.1095479     0.1076906      0.1697114     -0.2369777     0.1434315     7.519352 3.908584 7.247517 3.769312 0.2718353      5.429986 
1 1 1 11 13 44  o ?        ?        0.2153561      0.1808325     0.1639983      0.2640536     0.2607164      0.2481574     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 45  o ?        ?        0.5189143E-01  0.1503640     0.2939448      0.2228092     -0.1505404     0.2037591     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 46  o 5.915661 3.077819 -0.3452097E-01 0.8910292E-01 -0.5468813E-01 0.1062351     0.1332318E-01  0.1636289     5.914470 3.074131 ?        ?        0.000000       3.074131 
1 1 1 11 13 47  o ?        ?        -0.6561331E-01 0.1155770     0.1345823      0.1715522     -0.2320019     0.1563979     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 48  o ?        ?        -0.4804579E-02 0.1191874     -0.1495546     0.1829603     0.1019100      0.1570940     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 49  o ?        ?        -0.6592953E-01 0.1130585     0.8701280E-01  0.1785753     -0.1682456     0.1460593     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 50  o ?        ?        0.4712622E-01  0.1812341     0.000000       0.000000      0.4712622E-01  0.1812341     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 51  o ?        ?        0.1059403      0.2061027     0.000000       0.000000      0.1059403      0.2061027     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 52  o ?        ?        0.2479679      0.1846417     0.2237825      0.2704981     0.2690685      0.2526594     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 53  o ?        ?        0.2786390E-01  0.1076903     0.2919088E-01  0.1974007     0.2730162E-01  0.1284958     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 54  o ?        ?        0.1131011      0.1276312     0.1694769      0.2308799     0.8829144E-01  0.1531615     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 55  o ?        ?        -0.6023052E-01 0.9602892E-01 -0.1449896     0.1605062     -0.1297676E-01 0.1198442     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 56  o ?        ?        0.1552829      0.1612981     0.2008056      0.2314933     0.1123275      0.2248707     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 13 57  o ?        ?        0.3643461      0.2984894     0.3643461      0.2984894     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 2   o 9.242491 4.808618 -0.1302368     0.9453828E-01 0.000000       0.000000      -0.1302368     0.9453828E-01 ?        ?        9.242491 4.808618 0.000000       4.808618 
1 1 1 11 14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 7   o 8.360515 4.349267 -0.2001654     0.7614294E-01 -0.2001654     0.7614294E-01 0.000000       0.000000      8.360515 4.349267 ?        ?        0.000000       4.349267 
1 1 1 11 14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 18  o ?        ?        0.1135285      0.2068369     0.1135285      0.2068369     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 20  o 6.978635 3.634521 -0.1324371     0.8431575E-01 0.000000       0.000000      -0.1324371     0.8431575E-01 ?        ?        6.978635 3.634521 0.000000       3.634521 
1 1 1 11 14 21  o ?        ?        0.1005935      0.2117580     0.000000       0.000000      0.1005935      0.2117580     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 22  o 6.709213 3.489047 -0.1046597     0.1262247     0.000000       0.000000      -0.1046597     0.1262247     ?        ?        6.709213 3.489047 0.000000       3.489047 
1 1 1 11 14 23  o ?        ?        0.2127108      0.2501611     0.000000       0.000000      0.2127108      0.2501611     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 24  o ?        ?        -0.8394641E-01 0.1438667     0.000000       0.000000      -0.8394641E-01 0.1438667     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 25  f ?        ?        -0.2518832     0.5821676E-01 0.000000       0.000000      -0.2518832     0.5821676E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 26  o ?        ?        -0.2400567     0.5690689E-01 0.000000       0.000000      -0.2400567     0.5690689E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 27  o ?        ?        -0.5287787E-02 0.1827820     0.000000       0.000000      -0.5287787E-02 0.1827820     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 28  o ?        ?        -0.1932887E-01 0.1165160     0.1358248E-01  0.1548062     -0.6233629E-01 0.1769650     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 29  f ?        ?        -0.1043849     0.8421941E-01 0.4051214E-01  0.1099103     -0.3104538     0.1310735     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 30  f ?        ?        -0.1233536     0.1034517     0.000000       0.000000      -0.1233536     0.1034517     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 31  o ?        ?        0.1515756      0.2334852     0.000000       0.000000      0.1515756      0.2334852     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 32  o ?        ?        0.2441773E-01  0.1897669     0.000000       0.000000      0.2441773E-01  0.1897669     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 33  o ?        ?        -0.1184836     0.1219764     0.000000       0.000000      -0.1184836     0.1219764     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 34  o ?        ?        0.3184232E-01  0.1924795     0.000000       0.000000      0.3184232E-01  0.1924795     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 35  o ?        ?        0.1705443      0.2401553     0.000000       0.000000      0.1705443      0.2401553     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 36  o ?        ?        -0.7994419E-01 0.1414539     0.000000       0.000000      -0.7994419E-01 0.1414539     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 37  f ?        ?        0.4638318      0.3158244     0.000000       0.000000      0.4638318      0.3158244     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 38  o ?        ?        0.1102765E-01  0.1252890     -0.6855999E-01 0.1689299     0.1083263      0.1867829     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 39  o ?        ?        -0.1246941E-01 0.1214644     -0.5229809E-01 0.1714817     0.2763447E-01  0.1720731     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 40  o ?        ?        -0.9830669E-01 0.7316359E-01 -0.1521488     0.9608024E-01 -0.2399657E-01 0.1128748     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 41  o ?        ?        0.1461548      0.2245472     0.000000       0.000000      0.1461548      0.2245472     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 14 42  o ?        ?        -0.6913996E-01 0.1379804     0.000000       0.000000      -0.6913996E-01 0.1379804     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 15 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 2   o ?        ?        0.4026927      0.2922346     0.000000       0.000000      0.4026927      0.2922346     ?        ?        ?        ?        0.000000       ?        
1 1 1 11 15 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 12  o ?        ?        -0.1289537     0.8443779E-01 0.000000       0.000000      -0.1289537     0.8443779E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 11 15 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  2   f 162.6573 25.72639 2.021478       0.5345644     2.021478       0.5345644     0.000000       0.000000      162.6573 25.72639 162.6573 25.72639 0.000000       0.000000 
1 1 1 12 0  3   o 189.6097 25.01972 2.694504       0.6233298     2.694504       0.6233298     0.000000       0.000000      189.6097 25.01972 189.6097 25.01972 0.000000       0.000000 
1 1 1 12 0  4   o 228.7954 23.97477 3.852044       0.7383898     3.852044       0.7383898     0.000000       0.000000      228.7954 23.97477 228.7954 23.97477 0.000000       0.000000 
1 1 1 12 0  5   o 136.6829 27.13729 1.478018       0.4549820     1.478018       0.4549820     0.000000       0.000000      136.6829 27.13729 136.6829 27.13729 0.000000       0.000000 
1 1 1 12 0  6   o 203.1930 24.45103 3.068306       0.6597201     3.068306       0.6597201     0.000000       0.000000      203.1930 24.45103 203.1930 24.45103 0.000000       0.000000 
1 1 1 12 0  7   o 199.5701 24.57020 2.965889       0.6495522     2.965889       0.6495522     0.000000       0.000000      199.5701 24.57020 199.5701 24.57020 0.000000       0.000000 
1 1 1 12 0  8   o 248.9713 24.02796 4.542939       0.8083774     4.542939       0.8083774     0.000000       0.000000      248.9713 24.02796 248.9713 24.02796 0.000000       0.000000 
1 1 1 12 0  9   o 138.0562 27.45984 1.509772       0.4648766     1.509772       0.4648766     0.000000       0.000000      138.0562 27.45984 138.0562 27.45984 0.000000       0.000000 
1 1 1 12 0  10  o 145.2658 27.04427 1.652545       0.4872817     1.652545       0.4872817     0.000000       0.000000      145.2658 27.04427 145.2658 27.04427 0.000000       0.000000 
1 1 1 12 0  11  o 171.5559 25.57635 2.234598       0.5662204     2.234598       0.5662204     0.000000       0.000000      171.5559 25.57635 171.5559 25.57635 0.000000       0.000000 
1 1 1 12 0  12  o 190.8594 24.95530 2.728944       0.6265525     2.728944       0.6265525     0.000000       0.000000      190.8594 24.95530 190.8594 24.95530 0.000000       0.000000 
1 1 1 12 0  13  o 177.6610 25.35041 2.385348       0.5852343     2.385348       0.5852343     0.000000       0.000000      177.6610 25.35041 177.6610 25.35041 0.000000       0.000000 
1 1 1 12 0  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  15  o 48.88788 25.11911 0.2516013      0.2160273     0.2516013      0.2160273     0.000000       0.000000      48.88788 25.11911 48.88788 25.11911 0.000000       0.000000 
1 1 1 12 0  16  f 90.42520 30.28854 0.7522216      0.3374507     0.7522216      0.3374507     0.000000       0.000000      90.42520 30.28854 90.42520 30.28854 0.000000       0.000000 
1 1 1 12 0  17  o 158.0985 16.97223 1.813975       0.3597258     2.171357       0.5181547     1.481465       0.4997999     170.2449 23.27523 134.1787 30.99845 0.000000       0.000000 
1 1 1 12 0  18  o 342.3801 13.50843 8.223312       0.6363750     7.444307       1.099466      8.615767       0.7803811     319.2577 25.30609 349.2707 16.26134 0.000000       0.000000 
1 1 1 12 0  19  o 280.5425 40.98727 6.278771       1.488699      6.822814       2.116350      5.745907       2.094496      268.6773 65.86597 233.5233 73.86394 0.000000       0.000000 
1 1 1 12 0  20  o 323.6523 11.66643 7.322474       0.5198434     6.285916       0.7275467     8.403643       0.7430372     297.1967 17.87691 345.1725 15.66309 0.000000       0.000000 
1 1 1 12 0  21  o 203.0772 11.53468 2.898600       0.3210612     3.378013       0.4603831     2.444690       0.4479695     217.9503 15.47692 183.7625 18.05442 0.000000       0.000000 
1 1 1 12 0  22  o 286.7844 11.54668 5.754130       0.4555626     5.585505       0.6457000     5.921262       0.6428351     280.4501 16.81225 289.1125 16.21929 0.000000       0.000000 
1 1 1 12 0  23  o 223.5365 11.55386 3.506823       0.3544515     4.019652       0.5086818     3.022831       0.4941733     237.9389 15.63752 204.9803 17.76643 0.000000       0.000000 
1 1 1 12 0  24  o 481.9077 12.09254 16.21569       0.8035283     14.77067       1.120956      17.74296       1.152418      456.8513 17.83121 501.6369 16.67907 0.000000       0.000000 
1 1 1 12 0  25  o 232.3757 11.56789 3.787929       0.3690803     4.437471       0.5304548     3.178398       0.5138575     250.1867 15.49096 210.1603 18.01174 0.000000       0.000000 
1 1 1 12 0  26  o 209.5119 11.55485 3.084285       0.3319561     3.309742       0.4747262     2.868568       0.4643590     215.3701 16.17287 199.8388 17.11705 0.000000       0.000000 
1 1 1 12 0  27  o 188.2324 11.61216 2.495378       0.2991862     2.824708       0.4294245     2.184720       0.4170722     198.8110 15.87544 173.4904 17.84229 0.000000       0.000000 
1 1 1 12 0  28  o 193.9296 11.63274 2.647333       0.3089378     2.830299       0.4426318     2.473541       0.4313929     198.7845 16.38179 185.2050 17.21032 0.000000       0.000000 
1 1 1 12 0  29  o 78.11033 22.37765 0.5231420      0.2092392     0.7838165      0.3087464     0.3017241      0.2845502     95.28519 27.08510 53.41850 28.44987 0.000000       0.000000 
1 1 1 12 0  30  o 91.89252 16.18298 0.6428545      0.1863207     0.7503570      0.2314691     0.4450018      0.3140178     98.23946 19.14871 64.47553 30.77702 0.000000       0.000000 
1 1 1 12 0  31  o 326.6176 11.72947 7.461262       0.5274531     8.033336       0.7559475     6.918535       0.7363030     336.9679 16.33421 312.1168 17.20395 0.000000       0.000000 
1 1 1 12 0  32  o 319.3887 11.75241 7.136555       0.5167114     6.664838       0.7298747     7.610516       0.7316089     306.1809 17.39200 327.9476 16.24705 0.000000       0.000000 
1 1 1 12 0  33  f 326.6990 13.60150 7.498755       0.6111639     8.492599       1.082537      7.033778       0.7404566     342.4138 23.13820 314.7231 17.15505 0.000000       0.000000 
1 1 1 12 0  34  o 413.1117 17.09788 12.07568       0.9715236     12.48846       1.391409      11.68299       1.357116      414.9497 24.47909 401.0210 24.72355 0.000000       0.000000 
1 1 1 12 0  35  o 250.6951 13.67619 4.432538       0.4702024     4.712982       0.5814755     3.902699       0.7992448     257.3597 16.51867 228.4747 26.23029 0.000000       0.000000 
1 1 1 12 0  36  o 420.3117 12.01577 12.34790       0.6960772     13.02170       1.000734      11.71636       0.9688439     429.0950 16.94999 406.7001 17.32357 0.000000       0.000000 
1 1 1 12 0  37  o 345.7635 11.91045 8.364483       0.5671207     8.097687       0.8057515     8.626406       0.7983591     337.6569 17.38698 348.9811 16.65400 0.000000       0.000000 
1 1 1 12 0  38  o 346.7692 11.90691 8.414024       0.5686109     9.392500       0.8196836     7.506417       0.7894431     364.3550 16.36753 324.7750 17.72420 0.000000       0.000000 
1 1 1 12 0  39  o 476.4451 12.20079 15.86971       0.8014836     14.92889       1.125692      16.83700       1.141410      458.8251 17.82896 487.9668 16.98667 0.000000       0.000000 
1 1 1 12 0  40  o 186.0460 11.97042 2.443790       0.3045965     2.542281       0.4338961     2.348093       0.4276999     187.7136 17.06411 179.9738 17.59658 0.000000       0.000000 
1 1 1 12 0  41  o 247.6044 11.87788 4.305875       0.4039720     4.624189       0.5765639     3.998921       0.5661830     254.6799 16.55560 236.1089 17.59073 0.000000       0.000000 
1 1 1 12 0  42  o 226.9173 11.87774 3.621872       0.3698398     3.644841       0.5256146     3.599349       0.5204878     225.4240 17.11286 224.0191 17.05350 0.000000       0.000000 
1 1 1 12 0  43  o 119.2287 13.12175 1.029026       0.2093556     1.195664       0.2989746     0.8687035      0.2932554     126.4325 18.22573 103.4799 23.54705 0.000000       0.000000 
1 1 1 12 0  44  o 319.9962 11.98214 7.180429       0.5277557     8.190232       0.7604579     6.242188       0.7330167     339.6979 16.29780 295.2350 18.13760 0.000000       0.000000 
1 1 1 12 0  45  o 510.2879 12.48202 18.24266       0.8783159     16.40118       1.217362      20.24200       1.268466      479.6538 18.44225 534.1088 17.24000 0.000000       0.000000 
1 1 1 12 0  46  o 378.5306 12.01719 10.04590       0.6266852     10.69645       0.8962056     9.423434       0.8766513     387.8486 16.80609 363.4121 17.56339 0.000000       0.000000 
1 1 1 12 0  47  o 390.8818 12.04964 10.71669       0.6489664     10.15714       0.9135445     11.28674       0.9220690     377.1305 17.63063 398.2412 16.83636 0.000000       0.000000 
1 1 1 12 0  48  o 188.2130 14.20929 2.533314       0.3644442     2.436578       0.6390687     2.579936       0.4436572     175.7545 28.60805 188.3621 17.39877 0.000000       0.000000 
1 1 1 12 0  49  o 224.9538 17.32262 3.659233       0.5307397     3.474847       0.7581934     3.836394       0.7431899     212.4065 27.04709 225.4515 24.61884 0.000000       0.000000 
1 1 1 12 0  50  o 131.2303 15.14812 1.263169       0.2649807     1.203760       0.3272995     1.376182       0.4514260     124.9107 20.68066 128.1803 29.27383 0.000000       0.000000 
1 1 1 12 0  51  o 75.23592 17.33633 0.4578789      0.1567719     0.5317193      0.2261437     0.3895594      0.2175252     76.58268 24.30148 61.74331 25.62552 0.000000       0.000000 
1 1 1 12 0  52  o 123.2177 13.37722 1.106199       0.2208021     1.321493       0.3181682     0.9061826      0.3066716     132.3032 18.44088 104.3447 24.49619 0.000000       0.000000 
1 1 1 12 0  53  o 110.3946 16.52129 0.9219850      0.2352202     0.9231310      0.4112177     0.9214277      0.2867674     96.48103 33.99601 106.9660 21.97487 0.000000       0.000000 
1 1 1 12 0  54  o 154.8056 19.04236 1.804653       0.3905313     1.992718       0.5541722     1.619116       0.5504361     155.9604 28.56394 134.4745 34.28846 0.000000       0.000000 
1 1 1 12 0  55  o 57.42772 23.21485 0.3338965      0.1798843     0.2689858      0.2210534     0.4611454      0.3095039     49.11050 25.36989 63.58395 30.53207 0.000000       0.000000 
1 1 1 12 0  56  o 107.6900 14.74123 0.8690339      0.2075496     1.108874       0.3021811     0.6548488      0.2855623     118.9570 20.12638 82.57899 27.97149 0.000000       0.000000 
1 1 1 12 0  57  o 131.2015 13.59581 1.261154       0.2402527     1.276526       0.3470719     1.247011       0.3329079     126.8313 21.73358 125.8623 20.88438 0.000000       0.000000 
1 1 1 12 0  58  o 158.3340 13.03749 1.815872       0.2805938     1.883204       0.4043915     1.753357       0.3896577     157.0248 19.45335 151.2401 19.55986 0.000000       0.000000 
1 1 1 12 0  59  o 156.7240 13.20737 1.784406       0.2811481     2.193847       0.4074703     1.412354       0.3884203     171.0076 17.68963 131.9968 23.54199 0.000000       0.000000 
1 1 1 12 0  60  o 89.66254 17.14828 0.6372284      0.1898033     0.9558374      0.2761053     0.3517697      0.2613470     109.0838 20.42869 54.82778 27.74877 0.000000       0.000000 
1 1 1 12 0  61  o 250.7277 12.41977 4.502998       0.4275790     5.062869       0.6145346     3.977624       0.5953001     261.7905 17.16965 229.9043 19.05321 0.000000       0.000000 
1 1 1 12 0  62  o 197.2306 12.70689 2.805611       0.3427659     2.871828       0.4886917     2.741491       0.4808908     194.9999 18.53407 190.2577 18.72085 0.000000       0.000000 
1 1 1 12 0  63  o 235.7324 12.56875 3.994134       0.4064621     4.780068       0.5852039     3.261589       0.5649779     254.2401 16.83910 206.2110 20.29285 0.000000       0.000000 
1 1 1 12 0  64  o 223.6509 12.62870 3.602076       0.3871585     4.240420       0.5567381     3.004305       0.5387542     238.9190 17.07614 197.6226 20.22882 0.000000       0.000000 
1 1 1 12 0  65  o 173.4471 13.10775 2.187766       0.3098079     2.830185       0.4466176     1.591939       0.4301172     194.6093 16.91404 138.5535 24.86395 0.000000       0.000000 
1 1 1 12 0  66  o 218.6217 12.66961 3.447407       0.3795280     3.772519       0.5443262     3.139822       0.5294502     224.2413 17.83917 202.8422 19.30461 0.000000       0.000000 
1 1 1 12 0  67  o 73.81966 23.25142 0.5076795      0.2082307     0.2291103      0.3612810     0.6462548      0.2548130     47.23614 28.93252 83.22405 25.38523 0.000000       0.000000 
1 1 1 12 0  68  o 127.2567 21.40965 1.303345       0.3442174     1.350186       0.5023118     1.261876       0.4726362     115.1991 36.00184 111.9427 34.88180 0.000000       0.000000 
1 1 1 12 0  69  o 191.4620 15.19363 2.702869       0.3958631     3.268501       0.4959042     1.709311       0.6572455     208.8107 17.48103 123.0873 42.80724 0.000000       0.000000 
1 1 1 12 0  70  o 120.8037 14.89885 1.097632       0.2383782     1.485855       0.3437829     0.7381218      0.3308257     138.2278 19.04000 84.06933 30.84859 0.000000       0.000000 
1 1 1 12 0  71  o 306.1367 12.81229 6.736232       0.5394449     8.379194       0.7863203     5.275477       0.7414372     336.6992 17.01205 262.2643 20.77354 0.000000       0.000000 
1 1 1 12 0  72  o 167.7807 15.93455 2.101494       0.3615145     2.442920       0.6330473     1.936262       0.4403873     167.5543 30.30400 156.2280 21.59015 0.000000       0.000000 
1 1 1 12 0  73  o 250.3249 18.86808 4.744580       0.6436644     5.488179       0.9144310     4.014336       0.9061829     259.5802 26.11817 212.1778 33.40462 0.000000       0.000000 
1 1 1 12 0  74  o 159.7184 16.48694 1.926251       0.3547333     1.775730       0.4312796     2.241061       0.6237118     147.9428 22.70051 156.8223 32.66937 0.000000       0.000000 
1 1 1 12 0  75  o 164.9601 13.47680 2.000233       0.3022618     2.313212       0.4351195     1.708353       0.4201964     173.0208 18.77278 144.5592 22.72980 0.000000       0.000000 
1 1 1 12 0  76  o 91.93561 17.57571 0.6829093      0.1994800     0.8149248      0.2881570     0.5614261      0.2764232     94.14127 25.64237 71.13838 28.78122 0.000000       0.000000 
1 1 1 12 0  77  o 47.63337 21.33144 0.2506195      0.1494972     0.2598273      0.2184873     0.2425136      0.2049986     46.09608 24.80726 44.79760 24.05455 0.000000       0.000000 
1 1 1 12 0  78  o 27.50332 16.75713 0.6243426E-01  0.1197503     -0.2769573E-01 0.1776301     0.1375244      0.1621338     26.37198 17.64019 35.39660 20.46221 0.000000       0.000000 
1 1 1 12 0  79  o 20.42814 13.72930 -0.3048682E-01 0.1099200     0.1691036E-01  0.1645721     -0.6866091E-01 0.1476945     27.37220 17.85421 22.19991 15.19493 0.000000       0.000000 
1 1 1 12 0  80  o 31.94304 18.40563 0.1125201      0.1305166     0.1005781E-01  0.1899038     0.2042441      0.1796773     28.41931 18.75715 40.49104 22.25872 0.000000       0.000000 
1 1 1 12 0  81  f 23.62057 15.40300 0.1117384E-01  0.1223640     -0.7974862E-01 0.1771502     0.9413799E-01  0.1692198     23.78317 16.37177 31.52671 19.53498 0.000000       0.000000 
1 1 1 12 0  82  o 58.80146 22.90506 0.3864289      0.1774021     0.5292304      0.2548663     0.2522155      0.2470837     64.14922 27.83678 42.09134 24.83677 0.000000       0.000000 
1 1 1 12 0  83  o 73.11671 22.54247 0.5470709      0.1991268     0.9120501      0.2844265     0.1962096      0.2788713     94.61533 25.19604 38.09971 24.22574 0.000000       0.000000 
1 1 1 12 0  84  o 88.25554 20.34353 0.7359962      0.2157936     0.7891870      0.3043375     0.6822135      0.3060261     76.08318 30.09239 66.22041 30.48773 0.000000       0.000000 
1 1 1 12 0  85  o 78.81573 22.88214 0.6681389      0.2161354     1.121561       0.3070339     0.2227339      0.3043074     101.5026 25.31923 36.20831 23.84722 0.000000       0.000000 
1 1 1 12 0  86  o 27.86607 17.67424 0.9796567E-01  0.1473749     0.1345253      0.2043072     0.5830682E-01  0.2127908     30.58125 19.92847 27.64738 18.73290 0.000000       0.000000 
1 1 1 12 0  87  o 48.07235 24.93636 0.4422623      0.2142382     0.6589866      0.3835400     0.3439745      0.2582895     42.83565 27.68654 37.35305 23.56811 0.000000       0.000000 
1 1 1 12 0  88  o 34.14008 22.07935 0.3277740      0.2444113     0.4575275      0.3511460     0.2058376      0.3404040     34.02266 23.32496 28.82269 20.43483 0.000000       0.000000 
1 1 1 12 0  89  o 30.47075 19.41791 0.2434221      0.1804035     0.3291034      0.2201584     0.6830964E-01  0.3147389     32.23758 20.88841 24.28574 17.58656 0.000000       0.000000 
1 1 1 12 0  90  o 22.17092 14.97081 0.9895767E-01  0.1336337     -0.3555229E-01 0.1891593     0.2329774      0.1888143     19.12383 13.81860 26.27556 17.75826 0.000000       0.000000 
1 1 1 12 0  91  o 16.16600 11.56223 -0.1832791E-01 0.1182236     -0.7283800E-02 0.1700120     -0.2866884E-01 0.1645106     17.65660 12.80417 17.17342 12.47188 0.000000       0.000000 
1 1 1 12 0  92  o 17.71427 12.72187 0.1006401      0.1493347     0.1138650      0.2545969     0.9370377E-01  0.1843842     17.37120 12.86870 17.36615 12.68128 0.000000       0.000000 
1 1 1 12 0  93  o 14.30477 10.50646 0.1677173E-01  0.1399446     -0.3864011E-02 0.1758577     0.5240578E-01  0.2310915     14.28951 10.59324 14.86915 11.08465 0.000000       0.000000 
1 1 1 12 0  94  o 12.07273 8.888928 -0.1218763E-01 0.1051474     -0.2093525     0.1609223     0.1347025      0.1388986     11.26264 8.399091 14.20598 10.43709 0.000000       0.000000 
1 1 1 12 0  95  o 12.08250 8.967822 0.8825845E-01  0.1305271     0.3375207      0.1861743     -0.1527127     0.1830518     13.28072 9.902856 10.77071 8.052182 0.000000       0.000000 
1 1 1 12 0  96  o 10.97613 8.197159 0.1074678      0.1363467     0.6721091E-02  0.1941735     0.2054604      0.1915011     10.40181 7.782198 11.10672 8.301829 0.000000       0.000000 
1 1 1 12 0  97  o 9.941490 7.425124 0.1510901      0.1429911     0.5448850E-01  0.2036836     0.2449643      0.2007876     9.425763 7.060864 9.876674 7.395335 0.000000       0.000000 
1 1 1 12 0  98  o 7.645587 5.721078 -0.9245016E-01 0.1070223     -0.1627983     0.1523861     -0.2397907E-01 0.1503394     7.735223 5.796172 8.043649 6.025842 0.000000       0.000000 
1 1 1 12 0  99  o 6.839943 5.125446 -0.4715208E-01 0.1186570     -0.1536042     0.1687847     0.5686697E-01  0.1668447     6.792064 5.090463 7.053692 5.286802 0.000000       0.000000 
1 1 1 12 0  100 o 5.981788 4.483297 -0.8785251E-02 0.1228445     0.6236561E-01  0.1759856     -0.7639913E-01 0.1715556     6.055912 4.537190 5.949310 4.457296 0.000000       0.000000 
1 1 1 12 0  101 o 4.857445 3.640279 -0.1461702     0.9538446E-01 -0.2785198     0.1358295     -0.1740514E-01 0.1339775     4.879103 3.654322 5.062677 3.792630 0.000000       0.000000 
1 1 1 12 0  102 o 4.261336 3.189607 0.9253839E-01  0.1364900     -0.1102374     0.1967156     0.2807840      0.1895367     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 12 0  103 o ?        ?        0.3866561E-02  0.1215254     0.7456493E-01  0.1763874     -0.6001613E-01 0.1676696     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 12 0  104 o ?        ?        0.9350878E-01  0.1335737     0.9490939E-01  0.1943341     0.9225453E-01  0.1839007     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 12 0  105 o ?        ?        -0.6423832E-02 0.1267208     -0.4333796E-01 0.1851916     0.2607869E-01  0.1737735     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 12 0  106 o ?        ?        0.3299910      0.3231420     0.000000       0.000000      0.3299910      0.3231420     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 12 1  0   o 263.8838 23.66488 5.081286       0.8463445     5.081286       0.8463445     0.000000       0.000000      263.8838 23.66488 263.8838 23.66488 0.000000       0.000000 
1 1 1 12 1  1   o 203.5884 13.18039 2.933784       0.3685381     2.790586       0.4502909     3.224324       0.6413980     197.0765 16.70424 208.6847 22.62082 -11.60822      28.11997 
1 1 1 12 1  2   o 288.8047 13.28586 5.882976       0.5298246     5.777224       0.6482142     6.095827       0.9196316     284.0866 16.59675 286.9073 23.41738 -2.820709      28.70237 
1 1 1 12 1  3   o 220.4514 11.42476 3.417595       0.3465816     3.449700       0.4002672     3.321413       0.6928036     220.8227 13.18732 210.8018 24.24250 10.02089       27.59718 
1 1 1 12 1  4   o 183.7007 11.42686 2.375788       0.2884155     2.478206       0.3335081     2.072000       0.5743858     187.1120 12.98869 164.9883 26.07908 22.12373       29.13459 
1 1 1 12 1  5   o 164.2323 11.40146 1.900512       0.2569557     1.982083       0.2967036     1.655779       0.5139287     167.2547 12.94803 147.0580 26.27319 20.19667       29.29047 
1 1 1 12 1  6   o 80.46324 11.98232 0.4642433      0.1290686     0.4757861      0.1482836     0.4281623      0.2621667     81.03420 13.74325 75.77356 23.02303 5.260643       26.81300 
1 1 1 12 1  7   o 66.14749 10.90663 0.3142223      0.9614638E-01 0.3418982      0.1239482     0.2724119      0.1523463     68.46028 13.59128 60.87576 17.30550 7.584522       22.00462 
1 1 1 12 1  8   o 151.0402 11.54488 1.609746       0.2389561     1.707264       0.3408295     1.515471       0.3351130     153.9871 16.27597 144.6776 17.10563 9.309525       23.61165 
1 1 1 12 1  9   o 205.1993 13.28507 2.981936       0.3744040     3.170649       0.6543720     2.890091       0.4565103     206.4084 23.37119 200.5840 16.63229 5.824387       28.68529 
1 1 1 12 1  10  o 194.1516 16.40974 2.706196       0.4358067     2.594119       0.6191479     2.816252       0.6135378     185.6711 24.76732 194.4338 23.31751 -8.762665      34.01656 
1 1 1 12 1  11  o 113.6863 17.02809 0.9422914      0.2590808     1.149260       0.3727568     0.7488721      0.3603493     123.5236 22.69050 98.29664 26.10805 25.22694       34.59030 
1 1 1 12 1  12  o 93.57369 12.02349 0.6248700      0.1517601     0.8463545      0.2177776     0.4157766      0.2115981     108.2899 14.96406 74.47077 20.10699 33.81917       25.06420 
1 1 1 12 1  13  o 215.4934 11.53587 3.268025       0.3420141     3.131912       0.4861768     3.401377       0.4812231     208.6353 17.02436 217.9294 16.10573 -9.294037      23.43551 
1 1 1 12 1  14  o 143.0303 13.41647 1.455882       0.2618781     1.382868       0.4546397     1.492137       0.3203633     134.4471 25.42070 143.7706 16.43263 -9.323486      30.26951 
1 1 1 12 1  15  f 79.28349 17.61414 0.4671802      0.1878228     0.4546437      0.2636602     0.4800968      0.2676272     77.75348 22.96741 79.71343 23.02440 -1.959953      32.52115 
1 1 1 12 1  16  o 171.8326 13.49555 2.097034       0.3176335     2.117484       0.3902912     2.056921       0.5466140     171.4258 16.70032 164.9764 24.75927 6.449432       29.86506 
1 1 1 12 1  17  o 180.6552 11.55996 2.300077       0.2868544     2.230735       0.4077703     2.368011       0.4036086     175.8415 17.00646 181.5356 16.27407 -5.694168      23.53859 
1 1 1 12 1  18  o 186.3878 11.55449 2.447949       0.2959106     2.523263       0.4209612     2.374385       0.4160437     187.3468 16.43879 181.5433 16.78671 5.803497       23.49527 
1 1 1 12 1  19  o 241.5324 10.28515 4.081989       0.3430236     4.220335       0.5447295     3.991080       0.4415700     242.6477 16.35335 237.3207 13.53097 5.326996       21.22544 
1 1 1 12 1  20  o 231.5646 10.23302 3.751749       0.3272004     4.076272       0.5221879     3.541971       0.4198404     238.6552 15.93758 223.4541 13.67263 15.20108       20.99875 
1 1 1 12 1  21  o 265.2910 9.389551 4.914150       0.3439580     5.035714       0.4880059     4.794144       0.4848693     267.0804 13.23260 260.1339 13.54546 6.946503       18.93624 
1 1 1 12 1  22  o 196.6764 9.336220 2.700701       0.2535487     2.831011       0.3603302     2.572903       0.3568394     199.8807 13.12845 190.3053 13.67059 9.575378       18.95366 
1 1 1 12 1  23  o 169.0645 9.440399 2.002204       0.2195042     2.248559       0.3130628     1.763979       0.3078542     178.1481 12.81216 157.1574 14.34449 20.99066       19.23320 
1 1 1 12 1  24  o 137.9751 9.564329 1.336153       0.1810941     1.252657       0.2568612     1.418673       0.2553570     132.2398 14.29432 141.1593 13.25616 -8.919464      19.49496 
1 1 1 12 1  25  o 228.0518 9.426142 3.632471       0.2968284     3.417271       0.3622534     4.072186       0.5178173     220.1154 11.96350 238.5138 15.81230 -18.39845      19.82811 
1 1 1 12 1  26  o 259.7593 10.35572 4.724297       0.3714405     4.450835       0.4771438     5.144917       0.5917615     250.4052 13.85350 268.0373 16.06276 -17.63211      21.21159 
1 1 1 12 1  27  o 301.0522 8.778979 6.321148       0.3649419     6.507123       0.5587999     6.182834       0.4819066     303.4533 13.33603 296.5501 11.76865 6.903229       17.78625 
1 1 1 12 1  28  o 257.1227 8.148137 4.604699       0.2892922     4.502040       0.4085748     4.707911       0.4096693     253.0718 11.69203 258.8841 11.46015 -5.812241      16.37188 
1 1 1 12 1  29  o 294.3996 8.788758 6.045523       0.3572750     5.810763       0.5440279     6.223552       0.4737561     286.5193 13.75084 297.6114 11.52835 -11.09213      17.94404 
1 1 1 12 1  30  o 259.6612 9.479547 4.711087       0.3398855     4.669316       0.4795648     4.753245       0.4817842     256.5729 13.58464 258.9048 13.52335 -2.331879      19.16829 
1 1 1 12 1  31  o 253.7337 9.457890 4.498470       0.3313679     4.323987       0.4051354     4.851115       0.5759578     247.9310 11.83399 260.1168 16.11492 -12.18571      19.99335 
1 1 1 12 1  32  o 257.5012 8.751022 4.625336       0.3111545     4.530921       0.4124313     4.750072       0.4740539     253.8097 11.76808 258.8990 13.30546 -5.089294      17.76296 
1 1 1 12 1  33  o 322.5160 9.600594 7.271403       0.4275504     8.007490       0.7506214     6.917896       0.5201817     334.6109 16.24587 313.4812 12.01726 21.12970       20.20750 
1 1 1 12 1  34  o 341.3814 10.59031 8.169521       0.4992138     7.430920       0.7828310     8.675754       0.6480923     320.8126 17.74062 350.2124 13.40193 -29.39978      22.23379 
1 1 1 12 1  35  o 235.6864 8.816077 3.876162       0.2869115     3.758450       0.3790193     4.034137       0.4390829     230.7753 11.93499 238.4498 13.38976 -7.674515      17.93682 
1 1 1 12 1  36  o 166.0618 8.267449 1.921986       0.1895742     1.843220       0.2683966     2.000402       0.2678012     161.3230 12.13772 168.2764 11.59606 -6.953400      16.78668 
1 1 1 12 1  37  o 171.4811 8.285061 2.049785       0.1961778     1.991137       0.2780206     2.107944       0.2768577     167.7024 12.08707 172.7144 11.67748 -5.012009      16.80657 
1 1 1 12 1  38  o 193.0201 8.289441 2.597453       0.2209357     2.624963       0.3136490     2.570360       0.3112651     192.7282 11.84320 190.6928 11.88012 2.035355       16.77494 
1 1 1 12 1  39  o 280.2025 8.292765 5.474712       0.3208553     5.576685       0.4553586     5.374160       0.4521741     281.4185 11.71825 276.1974 11.85627 5.221161       16.66999 
1 1 1 12 1  40  o 194.3594 8.327995 2.634792       0.2235033     2.696672       0.3174419     2.573963       0.3147382     195.2894 11.82771 190.7082 12.01344 4.581177       16.85875 
1 1 1 12 1  41  o 281.0774 8.330021 5.511631       0.3233032     5.671508       0.4591399     5.354402       0.4553234     283.6893 11.72099 275.5254 11.96797 8.163971       16.75153 
1 1 1 12 1  42  o 228.2306 8.328647 3.634876       0.2624740     3.423196       0.3708353     3.847378       0.3715544     219.8084 12.26689 233.6797 11.51498 -13.87129      16.82473 
1 1 1 12 1  43  o 185.7979 8.393526 2.410084       0.2153393     2.250252       0.3047113     2.569548       0.3043605     177.9382 12.48068 190.5490 11.62319 -12.61081      17.05479 
1 1 1 12 1  44  o 204.6833 8.386625 2.925897       0.2370324     2.777643       0.3353621     3.073891       0.3350670     197.7646 12.34247 208.3718 11.69265 -10.60719      17.00161 
1 1 1 12 1  45  o 144.3659 8.688186 1.462511       0.1723869     1.333334       0.2443498     1.590514       0.2432377     136.4002 13.13597 149.5535 11.87643 -13.15334      17.70885 
1 1 1 12 1  46  o 106.2845 9.912085 0.7999913      0.1437916     0.6780065      0.1909955     0.9595882      0.2184656     96.24567 14.84930 115.1419 14.03094 -18.89622      20.42961 
1 1 1 12 1  47  o 266.3385 9.734920 4.984262       0.3580175     5.176716       0.5083992     4.794933       0.5042527     268.8069 13.74297 258.3721 14.18832 10.43488       19.75292 
1 1 1 12 1  48  o 221.4046 9.763000 3.448143       0.2984750     3.121913       0.5123434     3.615741       0.3672265     205.3376 18.26042 225.4614 11.83710 -20.12384      21.76143 
1 1 1 12 1  49  o 271.1879 9.818217 5.180447       0.3676554     4.758759       0.5150803     5.618444       0.5249465     256.4867 14.60403 279.8890 13.58286 -23.40231      19.94421 
1 1 1 12 1  50  o 233.9341 9.106085 3.848023       0.2941461     3.865244       0.3885646     3.824910       0.4501731     232.5387 12.14338 229.8500 14.25425 2.688660       18.72553 
1 1 1 12 1  51  o 186.4473 8.581962 2.441727       0.2209432     2.469225       0.3142633     2.414851       0.3106891     185.4473 12.34307 183.3873 12.34107 2.060013       17.45432 
1 1 1 12 1  52  o 97.70250 10.34620 0.6836593      0.1374567     0.6616659      0.1847348     0.7109398      0.2057442     94.45840 14.63702 97.43543 15.83610 -2.977036      21.56443 
1 1 1 12 1  53  f 64.26968 13.52956 0.3091131      0.1162707     0.3292662      0.2156228     0.3008507      0.1380628     65.19797 21.03940 62.74759 15.91166 2.450378       26.37873 
1 1 1 12 1  54  o 34.69576 13.68740 0.5483607E-01  0.9667812E-01 0.5226134E-01  0.1699545     0.5606779E-01  0.1175499     42.16485 17.57625 37.14861 14.94652 5.016243       23.07213 
1 1 1 12 1  55  o 100.3152 10.68329 0.7260574      0.1457052     0.7418892      0.1949257     0.7060104      0.2193458     99.63726 14.60128 95.79352 17.21554 3.843742       22.57371 
1 1 1 12 1  56  o 82.43518 10.81867 0.4940888      0.1201737     0.5654255      0.1718116     0.4257604      0.1681501     86.46746 14.92973 73.95637 16.84271 12.51109       22.50720 
1 1 1 12 1  57  o 101.8659 9.982619 0.7470597      0.1386099     0.6645333      0.1977021     0.8268421      0.1943878     93.16522 15.94113 105.4159 13.67673 -12.25069      21.00410 
1 1 1 12 1  58  o 59.46999 12.85257 0.2673611      0.1024631     0.1871878      0.1466316     0.3438658      0.1432375     50.49134 17.37522 66.44212 15.83676 -15.95078      23.50960 
1 1 1 12 1  59  o 123.9165 9.474961 1.101568       0.1608943     1.017565       0.2293462     1.182974       0.2257735     116.1395 14.62559 126.3221 13.13573 -10.18259      19.65846 
1 1 1 12 1  60  f 58.84621 13.26625 0.2642317      0.1052204     0.2912756      0.1511199     0.2387841      0.1465917     60.54535 17.24410 55.27551 17.29070 5.269833       24.41982 
1 1 1 12 1  61  f 88.87901 10.65716 0.5770834      0.1281831     0.5702946      0.1838234     0.5835089      0.1788360     85.48203 16.16578 86.89804 15.47126 -1.416008      22.37615 
1 1 1 12 1  62  o 34.04320 12.81868 0.6778275E-01  0.8198593E-01 0.1900053      0.1182698     -0.4528298E-01 0.1137532     49.74777 15.52582 29.20127 13.20178 20.54650       20.37985 
1 1 1 12 1  63  o 58.48542 13.22286 0.2622208      0.1042787     0.1389547      0.1503605     0.3764509      0.1447445     45.98164 17.34958 69.26790 15.51825 -23.28626      23.27712 
1 1 1 12 1  64  o 108.8188 9.990453 0.8587466      0.1484398     0.8471051      0.2134202     0.8696560      0.2065971     104.9478 15.16737 106.9037 14.35867 -1.955963      20.88589 
1 1 1 12 1  65  o 116.9493 9.836792 0.9900861      0.1573753     1.040569       0.2262418     0.9427590      0.2190567     117.0323 14.29731 111.1013 14.63525 5.931007       20.45980 
1 1 1 12 1  66  o 101.2085 11.07632 0.7526143      0.1522661     0.6817768      0.2051749     0.8394577      0.2271753     92.95865 16.59312 103.4478 16.45495 -10.48917      23.36872 
1 1 1 12 1  67  o 94.46724 12.23919 0.6653147      0.1558982     0.6635318      0.2233625     0.6670083      0.2176935     90.30209 18.53434 90.95158 17.97122 -0.6494904     25.81640 
1 1 1 12 1  68  o 86.37857 12.63685 0.5602024      0.1462662     0.4556131      0.2489686     0.6153262      0.1807468     72.23308 22.52353 89.06786 15.24453 -16.83479      27.19752 
1 1 1 12 1  69  o 105.3525 11.01597 0.8142027      0.1578829     0.8041129      0.2104711     0.8271865      0.2387539     101.9505 15.43361 101.8490 17.61420 0.1014252      23.41915 
1 1 1 12 1  70  o 77.77003 12.94019 0.4572935      0.1340774     0.4738904      0.1777741     0.4353987      0.2041859     76.83484 17.18637 72.06131 19.87558 4.773529       26.27565 
1 1 1 12 1  71  o 176.3025 9.872955 2.244471       0.2393834     2.321238       0.3189996     2.145519       0.3621740     176.3136 13.19862 166.6716 15.93088 9.641953       20.68808 
1 1 1 12 1  72  o 116.2823 11.97519 1.002198       0.1895299     0.9851906      0.2696326     1.018808       0.2664669     110.5508 18.30376 112.9954 17.65596 -2.444565      25.43149 
1 1 1 12 1  73  o 177.1311 10.94166 2.294394       0.2663082     1.255978       0.4650244     2.801143       0.3248525     111.6146 29.66488 194.5244 12.15504 -82.90977      32.05854 
1 1 1 12 1  74  f 114.8290 12.14896 0.9842868      0.1897067     0.7232962      0.2726447     1.229230       0.2641295     90.76467 21.98648 125.5910 15.56416 -34.82630      26.93786 
1 1 1 12 1  75  o 130.9986 9.730919 1.248958       0.1747615     1.097572       0.2475001     1.399491       0.2468014     118.2461 15.53421 135.7495 13.33879 -17.50343      20.47523 
1 1 1 12 1  76  o 88.23338 11.06464 0.5813405      0.1318411     0.5342750      0.1866385     0.6282179      0.1862650     80.37871 17.32631 88.53307 15.81701 -8.154358      23.46016 
1 1 1 12 1  77  o 38.51910 13.61704 0.1067826      0.9040578E-01 -0.3291726E-01 0.1277008     0.2471506      0.1280059     31.11221 14.03383 54.73997 15.95603 -23.62776      21.24955 
1 1 1 12 1  78  o 35.97175 13.41222 0.8680274E-01  0.8932386E-01 0.8494168E-01  0.1268242     0.8863468E-01  0.1258277     38.57324 15.52310 38.79392 15.51478 -0.2206802     21.94710 
1 1 1 12 1  79  o 54.83491 13.82287 0.2459363      0.1046323     0.2959964      0.1477365     0.1955552      0.1482093     58.06482 17.20278 48.40150 17.40018 9.663319       24.46839 
1 1 1 12 1  80  o 47.26966 14.23568 0.1863196      0.1005583     0.2325324      0.1423512     0.1402884      0.1420710     51.26907 17.12577 43.01352 16.70196 8.255558       23.92170 
1 1 1 12 1  81  o 59.20963 14.01170 0.2958853      0.1127729     0.2815863      0.1593815     0.3102216      0.1595886     54.51833 18.11787 57.19504 18.06308 -2.676708      25.58383 
1 1 1 12 1  82  o 40.52586 14.43364 0.1376484      0.1017556     0.3703503E-01  0.1441066     0.2376982      0.1437025     34.81192 15.35362 49.95399 17.20020 -15.14207      23.05603 
1 1 1 12 1  83  o 76.11353 13.26885 0.4950218      0.1343846     0.2029051      0.1901637     0.7864325      0.1899337     45.25908 18.70581 93.55132 15.22704 -48.29223      24.11991 
1 1 1 12 1  84  o 54.30011 15.10939 0.2840635      0.1174335     0.4903969      0.1667424     0.8099584E-01  0.1654176     68.84454 17.50201 36.52301 16.26089 32.32153       23.89010 
1 1 1 12 1  85  o 88.86338 12.63486 0.7035288      0.1506694     0.6330134      0.2134479     0.7735583      0.2127113     69.51294 20.69663 81.72922 19.17837 -12.21628      28.21631 
1 1 1 12 1  86  o 34.12018 14.29674 0.1136783      0.1132878     0.1622601      0.1506920     0.5053169E-01  0.1718019     37.21462 16.06561 32.22475 15.14093 4.989872       22.07604 
1 1 1 12 1  87  o 79.06529 18.70910 0.8475823      0.2010731     1.360412       0.3230840     0.5233764      0.2568854     73.75336 25.76786 44.60360 20.03115 29.14976       32.63786 
1 1 1 12 1  88  o 30.34060 13.84989 0.1128423      0.1289823     0.1429628      0.2086522     0.9421360E-01  0.1640902     31.00627 15.10591 29.61591 14.16774 1.390352       20.71022 
1 1 1 12 1  89  o 18.76713 9.246667 -0.7503874E-01 0.8521914E-01 -0.3230445E-01 0.1144177     -0.1282801     0.1277113     22.28244 10.92573 20.61672 10.34179 1.665720       15.04408 
1 1 1 12 1  90  o 20.23747 9.799777 -0.1699019E-02 0.8432548E-01 0.1363193      0.1197040     -0.1376624     0.1188095     26.23804 12.42246 18.58341 9.402559 7.654627       15.57965 
1 1 1 12 1  91  o 17.61482 8.769474 -0.3274315E-01 0.8439543E-01 0.2062278E-01  0.1125100     -0.1014045     0.1276190     19.90668 9.944291 18.02423 9.182238 1.882444       13.53523 
1 1 1 12 1  92  o 19.09023 9.620140 0.9771074E-01  0.1173205     0.3048516      0.1844638     -0.4299598E-01 0.1520322     20.40335 10.44641 17.24849 8.865034 3.154852       13.70096 
1 1 1 12 1  93  o 17.12591 8.746153 0.1412459      0.1219103     0.6577112E-01  0.1922344     0.1920208      0.1576720     15.96712 8.277998 16.99893 8.751724 -1.031810      12.04649 
1 1 1 12 1  94  o 13.81932 7.093543 0.2386199E-01  0.9101563E-01 -0.7969499E-01 0.1208002     0.1598376      0.1384231     13.10555 6.787227 14.74176 7.614689 -1.636214      10.20049 
1 1 1 12 1  95  o 13.39886 6.893092 0.1100416      0.9509763E-01 0.1070747      0.1338126     0.1130692      0.1351745     12.93384 6.710347 12.95603 6.722538 -0.2218819E-01 9.498487 
1 1 1 12 1  96  o 11.27487 5.836761 0.2162143E-01  0.8712477E-01 -0.6011857E-02 0.1225570     0.4985441E-01  0.1238797     11.15336 5.798386 11.38124 5.915393 -0.2278843     8.283306 
1 1 1 12 1  97  o 9.870998 5.126500 -0.5966034E-02 0.8545238E-01 -0.8252266E-01 0.1200071     0.7277436E-01  0.1217067     9.712192 5.055962 10.16798 5.291597 -0.4557905     7.318726 
1 1 1 12 1  98  o 9.203387 4.790315 0.2072356      0.1049113     0.2518467      0.1479713     0.1621440      0.1487659     8.983673 4.678220 8.854447 4.611081 0.1292257      6.568699 
1 1 1 12 1  99  o 7.502825 3.907219 0.4130176E-01  0.8976156E-01 -0.5479905E-01 0.1253670     0.1423882      0.1285779     7.359665 3.830675 7.580567 3.946199 -0.2209024     5.499688 
1 1 1 12 1  100 o 6.375643 3.319015 0.3257574E-01  0.9020772E-01 -0.1005649E-01 0.1265895     0.7655905E-01  0.1285798     6.330947 3.289651 6.390272 3.320385 -0.5932474E-01 4.674052 
1 1 1 12 1  101 o ?        ?        0.7612814E-01  0.9376717E-01 0.7501089E-01  0.1318332     0.7727199E-01  0.1333942     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 1  102 o ?        ?        0.2987428E-02  0.8489995E-01 -0.8284098E-02 0.1196636     0.1441208E-01  0.1204738     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 1  103 o ?        ?        0.4384453E-01  0.9086239E-01 0.7948457E-01  0.1278530     0.7475173E-02  0.1291545     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 1  104 o ?        ?        0.2207000      0.1080766     0.2442862      0.1522602     0.1967490      0.1534333     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 1  105 o ?        ?        0.1542099      0.1103694     0.2251388      0.1448699     0.5609211E-01  0.1703884     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 1  106 o ?        ?        0.2631122      0.3084261     0.000000       0.000000      0.2631122      0.3084261     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 2  1   o 353.3786 24.30019 9.288142       1.178529      0.000000       0.000000      9.288142       1.178529      ?        ?        353.3786 24.30019 0.000000       24.30019 
1 1 1 12 2  2   o 251.3312 24.00635 4.706248       0.8229936     0.000000       0.000000      4.706248       0.8229936     ?        ?        251.3312 24.00635 0.000000       24.00635 
1 1 1 12 2  3   o 283.6504 16.51589 5.760787       0.6440799     5.613145       0.9047096     5.912519       0.9171509     274.5461 24.10886 282.0968 23.76672 -7.550720      33.85401 
1 1 1 12 2  4   o 247.2693 11.44583 4.290216       0.3908010     3.661695       0.5451711     4.954578       0.5604996     225.3485 17.66163 263.5721 15.46838 -38.22365      23.47774 
1 1 1 12 2  5   o 244.0106 11.46754 4.178192       0.3863820     4.454164       0.5471584     3.903691       0.5456980     249.6042 15.95886 233.0283 17.07816 16.57585       23.37411 
1 1 1 12 2  6   o 179.8317 11.48184 2.278206       0.2836241     2.338654       0.3992590     2.216626       0.4029770     180.4636 16.19475 175.3815 16.84752 5.082153       23.36897 
1 1 1 12 2  7   o 308.8899 11.58572 6.697918       0.4941569     6.924139       0.6998711     6.473021       0.6978203     311.1462 16.34707 300.4636 16.88801 10.68256       23.50386 
1 1 1 12 2  8   o 238.8076 11.52053 4.002749       0.3798907     3.601802       0.5332908     4.415817       0.5412917     223.6043 17.40936 248.5651 15.85343 -24.96085      23.54606 
1 1 1 12 2  9   o 294.5788 11.55314 6.091394       0.4699368     5.934863       0.6617558     6.250637       0.6674629     287.7530 16.72699 295.5261 16.42135 -7.773071      23.44042 
1 1 1 12 2  10  f 184.0904 11.57446 2.388010       0.2927206     2.683403       0.4151899     2.096063       0.4127596     193.6094 15.66462 170.0531 17.84419 23.55630       23.74438 
1 1 1 12 2  11  o 174.2883 11.57534 2.141494       0.2769893     2.225142       0.3918924     2.057991       0.3915520     175.9199 16.31875 168.8324 17.02818 7.087463       23.58517 
1 1 1 12 2  12  o 143.0240 13.54269 1.456945       0.2642700     1.497313       0.4589172     1.436918       0.3232458     140.3964 24.56716 140.8259 16.96452 -0.4294891     29.85532 
1 1 1 12 2  13  o 155.5551 16.68919 1.747050       0.3528731     1.785855       0.5021923     1.709206       0.4959423     153.6209 24.49741 150.0686 24.79960 3.552292       34.85890 
1 1 1 12 2  14  o 127.9157 13.58313 1.168170       0.2362464     1.238585       0.2904969     1.030642       0.4059805     130.7889 16.44930 115.3023 26.10646 15.48662       30.85656 
1 1 1 12 2  15  o 227.1051 11.58950 3.630905       0.3622279     3.145314       0.5092046     4.128360       0.5153866     208.5675 17.85310 240.3580 15.61337 -31.79051      23.71730 
1 1 1 12 2  16  o 233.7486 10.30018 3.823585       0.3324541     3.998721       0.4305787     3.565052       0.5231469     237.6932 13.17037 222.4903 17.16099 15.20290       21.63235 
1 1 1 12 2  17  o 180.8236 9.422094 2.289208       0.2344418     2.440771       0.2876090     1.989081       0.4047244     186.1921 11.23942 165.4684 18.00414 20.72371       21.22437 
1 1 1 12 2  18  o 129.0511 11.77891 1.179572       0.2075830     1.385209       0.2934652     0.9736490      0.2936684     138.6958 15.59376 114.7130 19.21977 23.98286       24.75005 
1 1 1 12 2  19  o 206.6822 11.64977 3.010139       0.3311190     3.243850       0.4700499     2.779928       0.4665160     212.6530 16.12800 196.1662 17.40354 16.48676       23.72753 
1 1 1 12 2  20  o 236.1222 10.33722 3.902862       0.3370379     3.885346       0.5327752     3.914548       0.4351840     232.5029 16.70639 234.9973 13.46748 -2.494370      21.45871 
1 1 1 12 2  21  o 302.4402 10.40515 6.404573       0.4345359     6.437098       0.6888655     6.383080       0.5600079     299.5029 16.72374 300.5050 13.49598 -1.002075      21.49011 
1 1 1 12 2  22  o 267.4141 9.471577 4.995247       0.3497394     4.825087       0.4950043     5.164859       0.4942089     260.7891 13.79523 270.4223 13.23519 -9.633270      19.11749 
1 1 1 12 2  23  o 271.5161 9.485356 5.150116       0.3556209     5.120441       0.5044869     5.179426       0.5013754     268.7379 13.63983 270.7072 13.41298 -1.969299      19.12990 
1 1 1 12 2  24  o 209.5540 9.460878 3.067697       0.2737572     3.279831       0.3902666     2.862205       0.3841090     215.1140 13.20260 200.5935 13.95443 14.52051       19.21028 
1 1 1 12 2  25  o 273.7979 9.519277 5.237956       0.3598919     5.552097       0.5141082     4.936081       0.5039713     280.3157 13.28217 263.6907 13.89016 16.62497       19.21855 
1 1 1 12 2  26  o 141.1900 9.705379 1.399897       0.1880653     1.590642       0.2691874     1.218020       0.2628546     149.5285 13.17196 130.1423 14.89539 19.38617       19.88400 
1 1 1 12 2  27  o 289.8242 10.52395 5.885296       0.4211641     6.259415       0.6758156     5.647739       0.5385267     295.2593 16.64414 282.4298 13.80889 12.82950       21.62666 
1 1 1 12 2  28  f 261.7088 11.78815 4.817071       0.4259925     4.795488       0.6062204     4.838124       0.5987379     258.0192 17.11245 259.3561 16.80919 -1.336945      23.98718 
1 1 1 12 2  29  o 150.0867 10.66982 1.586683       0.2196842     1.570137       0.2846865     1.611039       0.3454030     148.2211 14.07875 148.9872 17.09931 -0.7661285     22.14944 
1 1 1 12 2  30  o 247.8016 9.535867 4.291787       0.3262888     4.276674       0.4630634     4.306689       0.4598378     245.4189 13.71946 246.3538 13.57018 -0.9349213     19.29697 
1 1 1 12 2  31  o 227.3546 9.539629 3.612995       0.2994837     3.523163       0.4244389     3.702063       0.4226347     222.5981 13.87789 228.3920 13.46079 -5.793808      19.33362 
1 1 1 12 2  32  o 146.9359 10.68831 1.521538       0.2153719     1.628807       0.3429349     1.451674       0.2767591     149.8718 16.86416 142.3793 14.26927 7.492416       22.09099 
1 1 1 12 2  33  o 213.0104 11.78825 3.201893       0.3453784     3.394289       0.4931465     3.016671       0.4838634     217.0856 16.57687 204.1995 17.32394 12.88609       23.97731 
1 1 1 12 2  34  o 243.1754 10.52993 4.145747       0.3535762     4.570176       0.4616946     3.543783       0.5498410     253.8953 13.21494 220.8814 18.18940 33.01392       22.48308 
1 1 1 12 2  35  o 437.4791 9.127058 13.36879       0.5513484     13.69937       0.7320945     12.93559       0.8380513     440.9778 12.02299 426.8125 14.21986 14.16522       18.62141 
1 1 1 12 2  36  o 291.1126 8.891075 5.917103       0.3573989     5.834722       0.4716158     6.028236       0.5477662     287.8256 11.86646 291.6583 13.60138 -3.832703      18.05021 
1 1 1 12 2  37  o 198.8666 8.283182 2.757663       0.2274558     2.653718       0.3211176     2.862327       0.3222274     193.6623 12.06829 201.3232 11.64094 -7.660950      16.76768 
1 1 1 12 2  38  o 155.5966 8.436979 1.693901       0.1805921     1.761851       0.2557435     1.626320       0.2550494     157.7058 11.83029 151.3245 12.31288 6.381287       17.07520 
1 1 1 12 2  39  o 148.5167 8.457652 1.544111       0.1727278     1.506256       0.2440103     1.582130       0.2445385     145.5848 12.25210 149.3284 11.95987 -3.743622      17.12170 
1 1 1 12 2  40  o 150.9486 8.475671 1.595436       0.1759464     1.535645       0.2480774     1.655952       0.2495810     146.9381 12.34115 152.7671 11.92612 -5.828964      17.16206 
1 1 1 12 2  41  o 244.3779 8.334239 4.168664       0.2812327     4.415576       0.3986515     3.924038       0.3968011     250.2636 11.53607 235.3169 12.25423 14.94667       16.82994 
1 1 1 12 2  42  o 280.6535 8.393188 5.500815       0.3252635     5.860575       0.4619752     5.147167       0.4580344     288.1900 11.60919 269.7248 12.29813 18.46515       16.91204 
1 1 1 12 2  43  o 407.1007 9.142099 11.60455       0.5139084     11.17238       0.6753616     12.19899       0.7920610     397.1930 12.31394 413.6513 13.86712 -16.45834      18.54535 
1 1 1 12 2  44  o 289.8583 9.690167 5.896568       0.3878422     6.352676       0.5496794     5.444381       0.5473117     298.7028 13.32699 275.4686 14.43906 23.23419       19.64931 
1 1 1 12 2  45  o 215.0586 8.976366 3.240568       0.2665603     3.192975       0.4055087     3.276782       0.3537218     210.8607 14.00697 214.7288 11.97753 -3.868027      18.42977 
1 1 1 12 2  46  o 142.8706 8.684211 1.434970       0.1705087     1.542462       0.2419941     1.328990       0.2402864     146.9646 12.03030 135.9839 12.95344 10.98070       17.67823 
1 1 1 12 2  47  o 204.3309 8.996465 2.930832       0.2538305     2.730811       0.3856974     3.083648       0.3371265     194.2384 14.48464 208.0654 11.78263 -13.82704      18.67178 
1 1 1 12 2  48  o 116.7377 10.45745 0.9704081      0.1667814     1.056822       0.2334333     0.8802980      0.2383734     120.3237 14.33188 108.7879 16.37628 11.53580       21.76202 
1 1 1 12 2  49  o 150.7484 10.16560 1.613213       0.2103682     1.807469       0.2567090     1.216038       0.3670668     158.8712 11.78596 124.5352 22.15801 34.33601       25.09754 
1 1 1 12 2  50  o 170.9998 9.236211 2.066541       0.2172770     2.224618       0.2884833     1.859320       0.3302957     176.1000 11.93424 159.0559 15.22487 17.04413       19.34484 
1 1 1 12 2  51  o 116.7720 10.05915 0.9727368      0.1606124     1.007003       0.2514896     0.9491341      0.2087225     116.0268 16.13389 113.8807 13.53865 2.146126       21.06175 
1 1 1 12 2  52  o 89.51513 11.96521 0.5839846      0.1441941     0.6363930      0.2601730     0.5607498      0.1732337     88.95445 21.43446 86.41112 15.06641 2.543335       26.19986 
1 1 1 12 2  53  o 87.53832 11.35576 0.5571831      0.1340287     0.4388673      0.1912481     0.6713767      0.1878869     74.62952 18.61962 94.65392 14.86526 -20.02440      23.82574 
1 1 1 12 2  54  o 65.36481 12.66514 0.3189019      0.1101837     0.4008518      0.1493212     0.2209428      0.1632562     72.37637 15.41356 54.48551 18.33952 17.89085       23.95654 
1 1 1 12 2  55  f 117.0232 9.515842 0.9797187      0.1524332     0.9994468      0.2166873     0.9603912      0.2144759     116.0468 13.79279 113.6369 13.96224 2.409882       19.62613 
1 1 1 12 2  56  o 78.53822 10.92706 0.4509133      0.1152906     0.5267406      0.1635213     0.3759620      0.1625739     83.25224 14.76527 69.07484 17.12901 14.17741       22.61451 
1 1 1 12 2  57  o 122.1214 9.439087 1.068934       0.1579337     1.091408       0.2234470     1.046499       0.2232572     121.0907 13.59877 118.3435 13.92891 2.747246       19.46641 
1 1 1 12 2  58  o 187.9772 8.775284 2.511167       0.2277741     2.625945       0.3216546     2.395719       0.3225899     189.2456 12.37728 180.1387 13.05762 9.106827       17.99163 
1 1 1 12 2  59  f 77.72280 11.10943 0.4446419      0.1158357     0.4571318      0.1613521     0.4313587      0.1663972     76.59744 15.78048 73.88198 16.70279 2.715462       22.97840 
1 1 1 12 2  60  o 40.79985 13.10281 0.1219535      0.8370551E-01 0.1699688      0.1132412     0.6411822E-01  0.1242827     47.46459 15.23985 37.98448 15.33839 9.480106       21.62219 
1 1 1 12 2  61  o 86.89092 10.96429 0.5544330      0.1286220     0.5330709      0.1770169     0.5783259      0.1872087     82.47473 16.12160 85.82240 16.39530 -3.347664      22.99374 
1 1 1 12 2  62  o 98.90113 10.36215 0.7125679      0.1394092     0.7707241      0.1924162     0.6483086      0.2022609     100.6894 14.23642 90.64632 16.77726 10.04309       22.00346 
1 1 1 12 2  63  o 169.9530 9.124413 2.071055       0.2133440     1.888823       0.2965927     2.266441       0.3071100     158.6829 13.66945 174.7245 12.81869 -16.04160      18.73960 
1 1 1 12 2  64  o 96.37791 11.30401 0.6845881      0.1475777     0.7304073      0.1906254     0.6160454      0.2331512     97.64973 14.58445 85.89818 20.02610 11.75155       24.77399 
1 1 1 12 2  65  o 130.3155 11.13480 1.243856       0.1984390     1.137774       0.2737939     1.361246       0.2880162     120.2555 16.95936 132.4433 16.07854 -12.18771      23.36963 
1 1 1 12 2  66  o 91.85780 11.44857 0.6238435      0.1420611     0.6271770      0.2083796     0.6209488      0.1941805     88.31538 17.70405 88.70180 16.45990 -0.3864136     24.17357 
1 1 1 12 2  67  o 79.55040 12.45136 0.4753184      0.1322861     0.3241742      0.1935820     0.6077364      0.1811936     62.57955 19.90799 88.41550 15.40115 -25.83595      25.16989 
1 1 1 12 2  68  o 78.01347 13.57023 0.4638306      0.1408739     0.5279297      0.1903117     0.3861376      0.2095226     80.99938 17.52470 67.64701 20.58837 13.35237       27.03694 
1 1 1 12 2  69  o 124.2828 10.57730 1.125389       0.1797933     1.174373       0.2338117     1.054518       0.2812394     124.7559 13.80405 114.5719 18.39982 10.18405       23.00229 
1 1 1 12 2  70  o 50.77163 14.72099 0.2005414      0.1092154     0.1270461      0.1418451     0.3075543      0.1711602     44.34565 16.82253 61.31734 18.59642 -16.97169      25.07637 
1 1 1 12 2  71  o 143.4493 11.28093 1.510079       0.2216477     1.345610       0.3167192     1.667942       0.3102939     129.5252 18.21157 147.0734 15.51326 -17.54822      23.92327 
1 1 1 12 2  72  o 72.05824 14.91102 0.4068434      0.1434730     0.2146549      0.2584414     0.4924594      0.1724948     55.59911 22.23528 78.53210 16.43472 -22.93299      27.64973 
1 1 1 12 2  73  o 86.92104 12.94549 0.5735600      0.1506340     0.4988200      0.2130454     0.6482763      0.2130118     76.40910 19.96998 89.05730 17.94210 -12.64821      26.84621 
1 1 1 12 2  74  o 59.57252 14.40032 0.2809747      0.1171456     0.1651194      0.1541909     0.4391456      0.1801624     47.62664 17.64849 72.52002 18.06006 -24.89338      25.25143 
1 1 1 12 2  75  o 35.76125 13.42642 0.8101256E-01  0.8981691E-01 0.1501214      0.1255958     0.8677116E-02  0.1284944     44.88940 16.03047 33.81258 14.71561 11.07682       21.76063 
1 1 1 12 2  76  o 56.63953 13.91230 0.2566167      0.1080186     0.3390658      0.1527403     0.1741219      0.1527825     63.36763 17.07224 47.63552 17.58438 15.73211       24.50861 
1 1 1 12 2  77  o 51.11721 14.23957 0.2127268      0.1042410     0.1783401      0.1466480     0.2478464      0.1482023     47.35545 17.26679 53.81081 17.45084 -6.455360      24.54942 
1 1 1 12 2  78  o 72.10509 12.63244 0.4103184      0.1211901     0.3058306      0.1707743     0.5163237      0.1720099     57.99934 18.72473 77.82404 16.51771 -19.82470      24.96899 
1 1 1 12 2  79  o 78.02478 12.31857 0.4813686      0.1283139     0.3911058      0.1811580     0.5722424      0.1817701     64.38042 19.04374 81.04615 16.79439 -16.66573      25.39125 
1 1 1 12 2  80  o 61.26593 13.98977 0.3160823      0.1157497     0.1480710      0.1635890     0.4845291      0.1638009     43.61811 17.60305 73.83815 16.48302 -30.22004      24.11550 
1 1 1 12 2  81  o 75.20985 12.87308 0.4676390      0.1288820     0.6286857      0.1835680     0.3110794      0.1809926     83.17928 16.56454 54.79212 19.27807 28.38717       25.41708 
1 1 1 12 2  82  f 63.79203 14.17329 0.3602902      0.1216030     0.3390187      0.1736150     0.3807754      0.1703758     55.94536 18.91201 60.01359 18.61912 -4.068226      26.53932 
1 1 1 12 2  83  o 25.24464 11.46784 -0.1323643E-01 0.8707883E-01 -0.8736146E-01 0.1248467     0.5698727E-01  0.1215169     25.97652 12.40769 32.95515 14.32640 -6.978636      18.95248 
1 1 1 12 2  84  o 55.98898 15.96619 0.3299031      0.1294689     0.2951677      0.1715082     0.3759197      0.1974040     48.03263 18.43178 51.75401 19.79460 -3.721375      27.04730 
1 1 1 12 2  85  o 28.63361 13.14559 0.2217443E-01  0.1184429     0.4511666E-01  0.1703275     0.6930375E-03  0.1648155     32.06444 15.06889 30.24905 14.39506 1.815388       20.83961 
1 1 1 12 2  86  o 39.61208 15.93592 0.2212103      0.1336116     0.4699656      0.2412819     0.1111941      0.1604601     44.17554 19.65548 32.51764 15.06129 11.65790       24.76248 
1 1 1 12 2  87  o 73.88639 16.34421 0.7050380      0.1623298     0.9129727      0.2487567     0.5508177      0.2142309     59.44403 22.33924 46.08522 19.50299 13.35882       29.65481 
1 1 1 12 2  88  o 24.98425 11.70717 0.4835929E-01  0.1015354     0.8042053E-01  0.1365196     0.8670656E-02  0.1518930     26.79958 12.84737 24.90702 12.28586 1.892557       17.77631 
1 1 1 12 2  89  o 33.58344 14.12886 0.2460859      0.1113722     0.2453213      0.1591416     0.2468198      0.1559162     28.56065 13.73833 28.80283 13.78708 -0.2421837     19.46343 
1 1 1 12 2  90  o 25.66844 12.08992 0.1849521      0.1107244     0.1923530      0.1498885     0.1760625      0.1642742     23.72044 11.78909 22.99070 11.55944 0.7297382      16.51071 
1 1 1 12 2  91  o 15.77502 8.010719 -0.6535537E-01 0.9159093E-01 -0.1607859     0.1470444     -0.4859014E-02 0.1170764     16.29890 8.394204 17.48659 8.897328 -1.187693      12.23213 
1 1 1 12 2  92  o 15.90360 8.128463 0.2928119E-01  0.1072357     -0.1961450     0.1701774     0.1777444      0.1381049     14.76805 7.659607 17.45902 8.946378 -2.690967      11.77740 
1 1 1 12 2  93  o 15.23764 7.803912 0.1244398      0.1036784     0.3766666E-01  0.1397889     0.2305330      0.1545695     14.13182 7.318120 15.21465 7.865197 -1.082826      10.74319 
1 1 1 12 2  94  o 11.42292 5.889146 -0.7295913E-01 0.7548869E-01 -0.3388479E-01 0.1086333     -0.1094461     0.1049750     12.25430 6.349083 11.72289 6.078665 0.5314045      8.789825 
1 1 1 12 2  95  o 11.99177 6.195590 0.8685183E-01  0.9287251E-01 -0.1090566E-01 0.1337616     0.1778414      0.1290483     11.34575 5.900529 12.12744 6.298409 -0.7816944     8.630539 
1 1 1 12 2  96  o 10.97618 5.699412 0.1873388      0.1037335     0.1519635      0.1488792     0.2207173      0.1446164     10.45921 5.445864 10.64557 5.541979 -0.1863604     7.769876 
1 1 1 12 2  97  o 8.242791 4.286836 -0.1002992     0.7067602E-01 -0.7994308E-01 0.1039078     -0.1178251     0.9641429E-01 8.603095 4.479581 8.455886 4.402631 0.1472092      6.280908 
1 1 1 12 2  98  o 7.838709 4.082200 0.1179399      0.9590802E-01 0.1741108      0.1386357     0.6638292E-01  0.1328200     7.773947 4.046426 7.666438 3.990563 0.1075096      5.683147 
1 1 1 12 2  99  o 6.670359 3.472648 0.1214891      0.9644362E-01 0.1799567      0.1385224     0.6648529E-01  0.1343567     6.631132 3.445530 6.559267 3.408540 0.7186508E-01  4.846630 
1 1 1 12 2  100 o 5.558667 2.890117 0.5676625E-01  0.8932197E-01 -0.1814764E-01 0.1284196     0.1269743      0.1243208     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  101 o ?        ?        -0.4378305E-01 0.8139787E-01 0.5952851E-01  0.1181157     -0.1372215     0.1123300     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  102 o ?        ?        0.1663856      0.1000746     0.2870165E-01  0.1442033     0.2943018      0.1389942     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  103 o ?        ?        -0.1356529     0.6549741E-01 0.2057115      0.9555945E-01 -0.4381134     0.8994954E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  104 o ?        ?        0.1290653E-01  0.9279870E-01 -0.1293859E-01 0.1250042     0.4463644E-01  0.1385063     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 2  105 o ?        ?        0.1700088      0.2040044     0.2959925      0.2977826     0.5858667E-01  0.2800452     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  0   o 149.3589 27.37804 1.746852       0.5086065     0.000000       0.000000      1.746852       0.5086065     149.3589 27.37804 149.3589 27.37804 0.000000       0.000000 
1 1 1 12 3  1   o 190.1847 13.58260 2.568317       0.3543482     2.103513       0.6143721     2.800013       0.4337663     164.8275 27.99520 197.5643 16.03891 -32.73680      32.26418 
1 1 1 12 3  2   o 167.6591 16.89131 2.029588       0.3857199     2.354320       0.5502774     1.715915       0.5408260     177.5774 22.98079 148.9357 27.30409 28.64169       35.68795 
1 1 1 12 3  3   o 95.41996 17.78152 0.6727204      0.2256660     0.8906207      0.3196177     0.4561185      0.3186642     108.5394 22.07738 78.52081 25.59581 30.01862       33.80172 
1 1 1 12 3  4   o 205.5568 13.39094 2.996155       0.3780101     3.160052       0.4625573     2.666617       0.6558929     209.9263 16.07961 187.2023 26.08226 22.72394       30.64047 
1 1 1 12 3  5   o 121.6677 13.73637 1.059023       0.2267326     1.298766       0.2761510     0.5630947      0.3971756     134.4142 15.14243 86.48191 28.59422 47.93232       32.35618 
1 1 1 12 3  6   o 72.24837 14.85002 0.3832747      0.1431957     0.3794762      0.1715526     0.3920015      0.2600258     71.37083 17.53386 72.91184 23.06002 -1.541016      28.96896 
1 1 1 12 3  7   o 194.5599 16.53831 2.722857       0.4400933     2.722857       0.4400933     0.000000       0.000000      194.5599 16.53831 ?        ?        0.000000       16.53831 
1 1 1 12 3  8   o 133.8552 16.83698 1.299933       0.3043129     1.299933       0.3043129     0.000000       0.000000      133.8552 16.83698 ?        ?        0.000000       16.83698 
1 1 1 12 3  9   o 128.8885 13.50206 1.185777       0.2367321     1.185777       0.2367321     0.000000       0.000000      128.8885 13.50206 ?        ?        0.000000       13.50206 
1 1 1 12 3  10  o 145.9723 10.35911 1.498750       0.2074442     1.369507       0.2658595     1.699910       0.3316807     138.4048 14.10842 153.6926 15.85674 -15.28778      21.22460 
1 1 1 12 3  11  o 142.4927 9.388811 1.423807       0.1836965     1.612603       0.2243175     1.039420       0.3200746     151.3182 10.80688 118.1420 20.35521 33.17621       23.04611 
1 1 1 12 3  12  o 136.9027 9.406510 1.314851       0.1767402     1.350698       0.2155206     1.241242       0.3088378     138.2616 11.39019 130.4509 17.59411 7.810669       20.95923 
1 1 1 12 3  13  o 66.78449 10.10230 0.3187564      0.9025048E-01 0.4257357      0.1092461     0.8881868E-01  0.1601626     77.29398 10.50821 44.79545 17.63454 32.49853       20.52802 
1 1 1 12 3  14  o 217.8098 9.337916 3.312765       0.2808442     3.185014       0.3421129     3.576760       0.4917977     212.5830 11.69979 223.3564 16.05301 -10.77338      19.86414 
1 1 1 12 3  15  o 107.3887 42.90829 0.8204458      0.9614547     0.9328723      1.074912      0.3706251      2.150098      112.3935 45.20579 119.5018 55.27327 -7.108253      71.40516 
1 1 1 12 3  16  o 182.4806 9.402217 2.331696       0.2361056     2.279144       0.2877930     2.439882       0.4129243     179.7321 11.65917 184.1001 16.41568 -4.368042      20.13481 
1 1 1 12 3  17  o 98.76529 9.765097 0.6883187      0.1314294     0.8603187      0.1603525     0.3362636      0.2294123     110.3143 10.65987 67.93947 21.67849 42.37483       24.15760 
1 1 1 12 3  18  o 198.1666 10.37203 2.757016       0.2828263     2.811665       0.3647372     2.674603       0.4479070     199.0539 13.34729 192.4995 17.02639 6.554352       21.63442 
1 1 1 12 3  19  o 96.80548 10.88595 0.6650226      0.1429899     0.6832798      0.1835994     0.6368767      0.2279617     97.28799 14.07616 92.50222 18.49366 4.785767       23.24121 
1 1 1 12 3  20  o 161.5361 10.45675 1.835041       0.2319896     1.789716       0.2980044     1.904761       0.3696025     158.4703 13.75518 162.3416 16.72753 -3.871231      21.65676 
1 1 1 12 3  21  o 132.6727 10.65718 1.241242       0.1935894     1.354082       0.3082477     1.167747       0.2487696     136.6326 16.68493 127.5673 14.37324 9.065308       22.02220 
1 1 1 12 3  22  o 324.7236 11.78847 7.415646       0.5285780     8.039275       0.7546934     6.815169       0.7405516     335.3189 16.29951 307.4893 17.51412 27.82956       23.92527 
1 1 1 12 3  23  o 224.2572 11.77369 3.546031       0.3633086     3.779698       0.5163340     3.316903       0.5112949     229.3368 16.41344 214.2283 17.43577 15.10847       23.94592 
1 1 1 12 3  24  o 232.7507 10.41817 3.794937       0.3348270     4.154463       0.4339526     3.266024       0.5263430     242.2209 13.02236 212.1667 18.14049 30.05417       22.33068 
1 1 1 12 3  25  o 153.3331 9.622643 1.649783       0.2027035     1.652399       0.2877353     1.647205       0.2856087     152.1638 13.84591 151.9513 13.76153 0.2124481      19.52150 
1 1 1 12 3  26  o 81.87120 10.58313 0.4772301      0.1168413     0.5503363      0.1675904     0.4080883      0.1629831     86.99153 14.45953 74.18994 16.35032 12.80159       21.82684 
1 1 1 12 3  27  f 88.11305 10.29913 0.5508365      0.1229437     0.5911070      0.1754689     0.5120024      0.1723114     90.18081 14.58945 83.53363 15.50976 6.647179       21.29330 
1 1 1 12 3  28  o 97.98266 10.24702 0.6793735      0.1365879     0.6500701      0.1949458     0.7076297      0.1914312     94.37723 15.49727 98.88468 14.44612 -4.507454      21.18621 
1 1 1 12 3  29  o 230.9638 10.46844 3.738784       0.3338597     3.491082       0.5283914     3.903386       0.4307326     219.6131 17.57162 234.5467 13.35491 -14.93359      22.07070 
1 1 1 12 3  30  o 204.4449 10.53869 2.937857       0.2964973     2.422929       0.4664844     3.286883       0.3840546     182.0616 18.82785 215.3128 12.97836 -33.25116      22.86757 
1 1 1 12 3  31  o 123.2694 12.09380 1.080311       0.2032014     0.6625361      0.2871753     1.499221       0.2875654     92.94292 22.59595 144.5303 14.60981 -51.58734      26.90768 
1 1 1 12 3  32  o 217.9725 11.69188 3.353305       0.3506200     3.157012       0.4965980     3.548423       0.4951085     208.7507 17.38627 222.0243 16.26276 -13.27359      23.80671 
1 1 1 12 3  33  o 237.8700 10.48421 3.968747       0.3443605     4.136774       0.5463244     3.857980       0.4435728     239.5238 16.62111 232.7890 13.86231 6.734848       21.64312 
1 1 1 12 3  34  o 313.8792 9.656845 6.895365       0.4185388     6.831822       0.5934796     6.958240       0.5903393     310.2130 13.85504 313.1963 13.65046 -2.983215      19.44986 
1 1 1 12 3  35  o 266.4029 9.619633 4.967872       0.3538631     4.933786       0.5018402     5.001580       0.4990476     263.2271 13.85571 265.1364 13.67782 -1.909363      19.46955 
1 1 1 12 3  36  o 162.4834 9.842992 1.856216       0.2197964     1.708110       0.3114775     2.003114       0.3102046     154.0842 14.82254 167.5046 13.52710 -13.42036      20.06714 
1 1 1 12 3  37  o 287.2881 11.93205 5.825253       0.4733372     6.376106       0.6746566     5.291241       0.6642641     297.2250 16.50331 269.6190 17.94486 27.60599       24.37985 
1 1 1 12 3  38  o 70.84936 14.77338 0.3709624      0.1398476     0.4383574      0.1951268     0.2997814      0.2005327     76.13560 18.69702 63.89539 20.25542 12.24022       27.56557 
1 1 1 12 3  39  o 155.8996 12.35670 1.730262       0.2638235     1.720502       0.3715417     1.740188       0.3746838     152.9729 17.92965 153.8293 17.97873 -0.8564148     25.39108 
1 1 1 12 3  40  o 114.5534 11.44886 0.9348845      0.1786704     1.061176       0.2847558     0.8528789      0.2294600     119.6962 17.76807 107.8371 15.88585 11.85908       23.83410 
1 1 1 12 3  41  o 171.7684 9.994520 2.079718       0.2360270     2.294667       0.3378314     1.874749       0.3298952     178.8403 13.78669 160.9834 15.01403 17.85681       20.38367 
1 1 1 12 3  42  o 216.6276 9.819567 3.297971       0.2937271     3.350676       0.4176875     3.246409       0.4131356     215.9462 14.08486 212.5025 14.16070 3.443695       19.97270 
1 1 1 12 3  43  o 226.7896 9.813454 3.617866       0.3073145     3.927454       0.4383421     3.318605       0.4309683     233.9441 13.62851 214.3560 14.64807 19.58810       20.00756 
1 1 1 12 3  44  o 232.7127 10.78911 3.829008       0.3466919     3.646199       0.5519007     3.948167       0.4455796     221.7543 18.18397 234.1765 13.84133 -12.42212      22.85255 
1 1 1 12 3  45  o 224.4650 10.85821 3.567727       0.3365462     4.131459       0.5418669     3.213704       0.4294093     237.1008 16.65661 210.2955 14.88395 26.80527       22.33773 
1 1 1 12 3  46  o 123.5656 10.48696 1.087905       0.1772412     0.9917762      0.2150552     1.291476       0.3129543     116.7140 13.59907 131.1907 17.73008 -14.47670      22.34480 
1 1 1 12 3  47  o 95.94199 11.14782 0.6625087      0.1449321     0.7190602      0.1758267     0.5426382      0.2559876     99.24594 13.15436 82.42873 22.05698 16.81721       25.68166 
1 1 1 12 3  48  o 114.0304 9.974297 0.9270728      0.1554712     1.005363       0.2482040     0.8765206      0.1994464     116.1059 15.89931 109.4467 13.48237 6.659164       20.84616 
1 1 1 12 3  49  o 83.76781 11.04431 0.5082117      0.1246331     0.6254438      0.2059238     0.4404434      0.1565657     90.45020 17.11449 76.27803 15.39548 14.17217       23.02014 
1 1 1 12 3  50  o 107.5016 9.917232 0.8268715      0.1455523     0.9540713      0.2250703     0.7354331      0.1908265     113.2852 14.73716 99.47837 14.30360 13.80686       20.53721 
1 1 1 12 3  51  f 178.9328 9.925322 2.283527       0.2442678     2.370372       0.3510579     2.202020       0.3400964     179.2948 14.29881 172.7069 14.39218 6.587830       20.28770 
1 1 1 12 3  52  o 161.2082 9.376639 1.850782       0.2078223     1.990614       0.2809594     1.681840       0.3088228     165.3566 12.39526 150.0598 15.10967 15.29677       19.54340 
1 1 1 12 3  53  o 145.3544 8.936200 1.503510       0.1784881     1.596772       0.2557140     1.414902       0.2492507     147.6440 12.66560 138.5982 13.18268 9.045807       18.28115 
1 1 1 12 3  54  f 101.3376 9.730170 0.7389970      0.1344796     0.8598219      0.1941658     0.6276016      0.1864355     107.5508 13.36236 90.58920 15.45917 16.96161       20.43376 
1 1 1 12 3  55  o 117.2464 9.393033 0.9859033      0.1507932     0.9782376      0.2167013     0.9930995      0.2099656     114.2516 14.03092 115.5058 13.41436 -1.254189      19.41164 
1 1 1 12 3  56  o 64.06396 12.26690 0.3081869      0.1045623     0.4060991      0.1516400     0.2194326      0.1443743     72.20519 15.66004 53.35304 17.21584 18.85215       23.27277 
1 1 1 12 3  57  o 178.8773 8.781283 2.276749       0.2168958     2.415993       0.3093817     2.142168       0.3041589     181.2326 12.43818 170.0895 13.04995 11.14307       18.02802 
1 1 1 12 3  58  o 142.4977 9.118557 1.454678       0.1784795     1.628281       0.2553943     1.288965       0.2495243     148.4303 12.57927 130.9272 14.02005 17.50308       18.83613 
1 1 1 12 3  59  o 162.2959 8.973202 1.884704       0.2003103     2.079678       0.2863789     1.697943       0.2802825     167.8486 12.44485 150.6281 13.62316 17.22052       18.45169 
1 1 1 12 3  60  o 103.4814 9.895769 0.7761472      0.1396761     0.6430324      0.1987509     0.9060453      0.1963349     90.41341 16.52892 109.9504 13.19549 -19.53699      21.15009 
1 1 1 12 3  61  f 191.6482 9.457442 2.633850       0.2502744     2.825790       0.3334952     2.386379       0.3786774     195.5848 12.41288 176.2566 15.72429 19.32822       20.03329 
1 1 1 12 3  62  o 141.9616 10.57258 1.466138       0.2057624     1.479627       0.2900665     1.452474       0.2919263     138.7955 15.39438 137.2493 15.68541 1.546204       21.97769 
1 1 1 12 3  63  o 174.7611 9.576368 2.199432       0.2302114     2.274037       0.3497613     2.142407       0.3057879     172.8976 14.79266 169.4054 13.17605 3.492203       19.80987 
1 1 1 12 3  64  o 79.93475 11.41269 0.4739811      0.1223920     0.5353288      0.1720382     0.4111122      0.1741581     82.72339 15.63404 71.09782 17.78472 11.62557       23.67951 
1 1 1 12 3  65  o 191.3641 9.486774 2.628101       0.2506784     3.068868       0.3802654     2.289342       0.3333710     202.3255 13.69185 174.3764 13.96240 27.94913       19.55545 
1 1 1 12 3  66  o 135.7010 11.14250 1.347647       0.2069438     1.460890       0.2829503     1.217401       0.3034494     138.2006 15.07166 123.2451 18.39425 14.95554       23.78031 
1 1 1 12 3  67  o 150.9724 10.13410 1.650561       0.2100366     1.887781       0.2737872     1.311273       0.3274329     159.5844 12.52527 127.1542 19.25124 32.43022       22.96721 
1 1 1 12 3  68  o 125.6524 10.44089 1.149225       0.1795125     1.253406       0.2366135     1.007936       0.2755497     129.1264 13.46870 111.8201 18.49241 17.30627       22.87740 
1 1 1 12 3  69  o 232.0883 10.46900 3.903086       0.3355030     4.349894       0.4802659     3.477204       0.4688844     239.4248 14.59667 211.8777 16.14824 27.54703       21.76760 
1 1 1 12 3  70  o 111.4978 12.33609 0.9278790      0.1867428     0.9448458      0.3313161     0.9199792      0.2260751     102.7944 23.80963 108.7794 15.48852 -5.985016      28.40409 
1 1 1 12 3  71  o 206.8310 9.690514 3.089124       0.2767581     3.447839       0.4224768     2.819466       0.3662977     212.4893 14.48524 192.8853 13.84510 19.60402       20.03768 
1 1 1 12 3  72  o 101.3226 11.02457 0.7605309      0.1517540     0.6620399      0.2010970     0.8908055      0.2312795     90.69437 16.67222 105.7379 16.36945 -15.04352      23.36497 
1 1 1 12 3  73  o 98.10422 11.11357 0.7172446      0.1478937     0.7981110      0.1970308     0.6128847      0.2238292     101.0585 14.53811 84.39469 19.58507 16.66382       24.39122 
1 1 1 12 3  74  o 41.35939 13.47382 0.1307317      0.8830843E-01 0.1966342      0.1242840     0.6353462E-01  0.1254988     49.35934 15.97797 37.14730 15.25754 12.21205       22.09271 
1 1 1 12 3  75  o 29.15030 11.99632 0.3171444E-01  0.7777149E-01 0.1262477      0.1099618     -0.6290033E-01 0.1100092     41.33000 14.96980 27.07182 12.51489 14.25819       19.51198 
1 1 1 12 3  76  o 25.64379 11.31809 -0.8651091E-02 0.7844494E-01 0.7756533E-02  0.1109297     -0.2506356E-01 0.1109461     31.16658 13.61573 29.10922 13.11016 2.057356       18.90144 
1 1 1 12 3  77  o 36.99646 13.52400 0.9978618E-01  0.9004487E-01 0.2554503      0.1289367     -0.4841127E-01 0.1258064     54.22860 16.07209 29.44066 13.52789 24.78794       21.00752 
1 1 1 12 3  78  o 40.80280 14.12077 0.1347394      0.9691265E-01 0.2297626      0.1398218     0.4688168E-01  0.1344466     50.46796 16.97237 35.35675 15.21943 15.11121       22.79676 
1 1 1 12 3  79  o 43.44563 14.17934 0.1615002      0.9778192E-01 0.7009740E-03  0.1417878     0.3073340      0.1350287     32.83670 14.80189 57.90737 16.23334 -25.07067      21.96855 
1 1 1 12 3  80  o 44.71797 14.55889 0.1793421      0.1031103     0.2761701      0.1506329     0.9397084E-01  0.1414409     52.41319 17.61636 37.63495 15.88253 14.77824       23.71900 
1 1 1 12 3  81  o 40.87682 14.42791 0.1528739      0.1014551     0.2324801      0.1477872     0.8191734E-01  0.1395273     47.08577 17.30857 35.80876 15.45885 11.27700       23.20695 
1 1 1 12 3  82  o 71.38096 14.81183 0.4869003      0.1412092     0.4564787      0.1874398     0.5268256      0.2147306     60.31222 19.62914 62.01488 21.03216 -1.702663      28.76899 
1 1 1 12 3  83  o 51.96465 16.79475 0.3193700      0.1373565     0.3608760      0.1961992     0.2794724      0.1923605     48.47308 19.37779 43.78660 18.50271 4.686481       26.79271 
1 1 1 12 3  84  o 62.31506 15.71157 0.4410626      0.1351598     0.4193301      0.2130714     0.4556956      0.1748388     46.51745 19.55498 54.62754 18.96301 -8.110085      27.23954 
1 1 1 12 3  85  f 42.04025 15.40687 0.2470701      0.1169694     0.1457393      0.1846254     0.3150149      0.1511815     32.39812 15.36457 42.88053 17.05261 -10.48241      22.95346 
1 1 1 12 3  86  o 45.13968 16.81995 0.3744437      0.1404369     0.4500566      0.2015570     0.3030999      0.1957844     39.33733 17.69794 34.13596 16.07765 5.201363       23.91041 
1 1 1 12 3  87  o 24.80424 11.62453 0.6913877E-01  0.1001695     0.8216523E-01  0.1353647     0.5337136E-01  0.1489266     25.38579 12.32177 24.63952 12.15603 0.7462692      17.30882 
1 1 1 12 3  88  o 25.86844 12.07621 0.1475050      0.1063652     0.1516099      0.1460088     0.1428632      0.1552636     24.40958 12.04142 24.00323 11.94088 0.4063511      16.95820 
1 1 1 12 3  89  o 24.58497 11.84980 0.2295035      0.1198201     0.1939045      0.1784131     0.2587513      0.1617168     21.30437 10.85361 22.72952 11.43373 -1.425152      15.76487 
1 1 1 12 3  90  o 15.56833 7.876203 -0.2411935E-01 0.8323640E-01 -0.4694576E-01 0.1518708     -0.1431867E-01 0.9951389E-01 16.43507 8.467580 16.14138 8.211900 0.2936878      11.79556 
1 1 1 12 3  91  o 13.07093 6.695319 -0.7066351E-01 0.7660874E-01 -0.6637517E-01 0.1193816     -0.7366573E-01 0.9988824E-01 14.13333 7.291527 13.72402 7.060605 0.4093122      10.14980 
1 1 1 12 3  92  o 14.67569 7.530215 0.1477903      0.1014824     0.8314362E-01  0.1407683     0.2177465      0.1464350     13.62712 7.065408 14.33821 7.427027 -0.7110863     10.25089 
1 1 1 12 3  93  o 13.74604 7.075366 0.2149727      0.1021077     0.2103963      0.1495596     0.2189680      0.1397439     12.76554 6.632572 12.91582 6.704674 -0.1502857     9.430995 
1 1 1 12 3  94  o 10.96227 5.680166 0.3623030E-01  0.8736581E-01 0.1030941      0.1298097     -0.1913637E-01 0.1181233     11.11917 5.783087 10.68589 5.557098 0.4332819      8.020313 
1 1 1 12 3  95  o 8.933394 4.637784 -0.8044306E-01 0.6735200E-01 -0.6859212E-01 0.1041206     -0.8896976E-01 0.8831839E-01 9.366314 4.874532 9.173701 4.771235 0.1926126      6.820979 
1 1 1 12 3  96  o 7.909320 4.116600 -0.9852010E-01 0.7519941E-01 0.1079354      0.1103853     -0.2773107     0.1027236     8.573099 4.464509 7.741888 4.031743 0.8312116      6.015546 
1 1 1 12 3  97  o 7.398067 3.852722 0.1018502      0.9507809E-01 0.9917509E-01  0.1356257     0.1044353      0.1333252     7.306653 3.801416 7.314695 3.806026 -0.8042336E-02 5.379275 
1 1 1 12 3  98  o 6.255500 3.255064 0.1198275      0.9614545E-01 0.1501532      0.1365249     0.8998980E-01  0.1354222     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  99  f ?        ?        0.1401349E-02  0.8655781E-01 0.3010420E-01  0.1219231     -0.2776576E-01 0.1229052     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  100 o ?        ?        0.6188089E-01  0.9324509E-01 0.2436508      0.1327343     -0.1152225     0.1310194     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  101 o ?        ?        0.3018392E-01  0.8946519E-01 0.3890914E-01  0.1256726     0.2121848E-01  0.1273907     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  102 o ?        ?        -0.7101183E-01 0.8592559E-01 -0.1131779     0.1130894     -0.1342375E-01 0.1321619     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  103 o ?        ?        0.8822414E-01  0.1229000     -0.1051813     0.1897473     0.2280006      0.1613089     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 3  104 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 4  0   o 53.83479 26.22845 0.3068931      0.2294529     0.000000       0.000000      0.3068931      0.2294529     53.83479 26.22845 53.83479 26.22845 0.000000       0.000000 
1 1 1 12 4  1   o 105.8088 17.69748 0.8238732      0.2494338     0.8675017      0.3518120     0.7797750      0.3537010     106.0640 24.51323 100.1813 25.50285 5.882690       35.37363 
1 1 1 12 4  2   o 104.6374 17.69271 0.8061153      0.2465209     0.7677913      0.3460926     0.8455858      0.3512307     99.50617 25.17059 104.6206 24.70754 -5.114403      35.27068 
1 1 1 12 4  3   o 165.7935 16.90010 1.987510       0.3814870     1.473399       0.5333282     2.526143       0.5458995     136.5374 29.17361 184.4855 21.85434 -47.94817      36.45150 
1 1 1 12 4  4   o 85.63126 18.12516 0.5463271      0.2076343     0.9220778      0.2921894     0.1630246      0.2951110     111.3046 19.73389 59.71506 23.80055 51.58956       30.91751 
1 1 1 12 4  5   o 81.71618 17.94054 0.4978369      0.1968862     0.8265744      0.2745888     0.1499916      0.2824562     105.2938 19.60760 58.18345 23.25370 47.11030       30.41698 
1 1 1 12 4  6   o 67.89980 18.05930 0.3437715      0.1722631     0.2495341      0.2351500     0.4529187      0.2530693     61.59720 21.94130 77.42034 22.39734 -15.82314      31.35381 
1 1 1 12 4  7   o 63.53383 12.85959 0.2945482      0.1089443     0.3341714      0.1225075     0.1447399      0.2382076     67.60519 13.59458 54.82936 21.53109 12.77583       25.46371 
1 1 1 12 4  8   o 79.95553 18.55704 0.4787020      0.2009293     0.3092659      0.2738705     0.6762210      0.2956968     67.36346 23.71266 93.96127 22.98104 -26.59781      33.02148 
1 1 1 12 4  9   o 81.91415 12.58040 0.4832408      0.1377458     0.4697301      0.1557639     0.5317139      0.2950392     80.19943 14.60360 83.41692 24.19817 -3.217484      28.26334 
1 1 1 12 4  10  o 151.9115 17.15681 1.674195       0.3535801     1.849479       0.4924815     1.487726       0.5079529     156.6516 23.49192 138.0420 27.61302 18.60966       36.25395 
1 1 1 12 4  11  o 176.3265 13.61217 2.211858       0.3288576     1.986378       0.3968256     2.706251       0.5875998     165.3859 17.64913 190.3964 22.80413 -25.01047      28.83609 
1 1 1 12 4  12  o 129.8655 11.79716 1.195281       0.2092402     1.335264       0.2387637     0.7319238      0.4343992     137.0238 12.76622 96.44958 29.69856 40.57420       32.32616 
1 1 1 12 4  13  o 107.8426 12.10443 0.8283549      0.1771367     0.8286489      0.2004049     0.8273045      0.3787508     107.3652 13.84006 102.8169 26.50821 4.548271       29.90372 
1 1 1 12 4  14  o 177.1061 11.73353 2.214828       0.2853206     2.010190       0.3253237     2.896806       0.5938922     167.8292 14.17066 197.4160 22.16975 -29.58687      26.31170 
1 1 1 12 4  15  f 183.6077 11.65764 2.379170       0.2940234     2.566609       0.3379102     1.794896       0.5965962     190.2592 12.93915 150.5903 29.74617 39.66893       32.43850 
1 1 1 12 4  16  o 107.2151 12.05983 0.8187714      0.1754410     0.9217616      0.2004101     0.4809872      0.3629453     113.5626 13.01544 80.78735 27.34399 32.77525       30.28359 
1 1 1 12 4  17  o 68.41128 11.51729 0.3374246      0.1049318     0.3460138      0.1343768     0.3240033      0.1679756     68.57418 14.63700 65.96995 17.95817 2.604233       23.16760 
1 1 1 12 4  18  o 73.90781 13.07797 0.3965631      0.1285818     0.3703794      0.1794360     0.4241999      0.1843477     70.36208 18.29705 75.31409 17.97605 -4.952011      25.64996 
1 1 1 12 4  19  o 92.47148 10.83868 0.6075987      0.1357704     0.6041863      0.1724493     0.6131628      0.2202054     91.32911 14.13089 90.76108 18.20413 0.5680313      23.04501 
1 1 1 12 4  20  o 56.39813 12.74484 0.2330657      0.9691481E-01 0.2081987      0.1219192     0.2757505      0.1597338     53.45308 15.56951 61.18121 17.82141 -7.728134      23.66458 
1 1 1 12 4  21  o 89.71466 10.22017 0.5706361      0.1243479     0.6277935      0.1726975     0.5090995      0.1791911     93.20544 13.83878 83.08009 16.20198 10.12535       21.30765 
1 1 1 12 4  22  o 229.0798 9.471108 3.668150       0.2995888     3.710219       0.4217113     3.625285       0.4256818     228.6181 13.41757 225.8402 13.71535 2.777893       19.18703 
1 1 1 12 4  23  o 285.7732 9.510619 5.709517       0.3752911     5.609016       0.5288414     5.811474       0.5326628     281.4150 13.60944 286.5260 13.46326 -5.110992      19.14357 
1 1 1 12 4  24  o 123.8721 10.91524 1.085043       0.1847923     0.9629924      0.2891069     1.169353       0.2402852     113.9202 19.05170 127.7436 13.84381 -13.82338      23.55034 
1 1 1 12 4  25  o 195.8731 10.53739 2.698041       0.2839528     2.648600       0.4466824     2.731568       0.3678421     191.2662 17.09317 195.8771 13.68604 -4.610870      21.89713 
1 1 1 12 4  26  o 110.0376 12.19692 0.8635446      0.1822054     0.8640102      0.2615458     0.8631055      0.2539757     108.0642 18.17279 108.2207 17.60074 -0.1565399     25.29894 
1 1 1 12 4  27  o 246.2605 11.63375 4.269429       0.3955965     4.385038       0.4591021     3.936101       0.7795594     248.4425 13.43266 227.4487 25.24749 20.99385       28.59846 
1 1 1 12 4  28  o 148.2119 11.81022 1.556943       0.2396952     1.484828       0.2781532     1.764988       0.4724425     143.8983 14.18322 152.6715 23.13550 -8.773163      27.13696 
1 1 1 12 4  29  o 117.2527 10.93526 0.9740646      0.1750049     1.060506       0.2225552     0.8340202      0.2832760     121.6119 13.48005 105.2329 20.22971 16.37904       24.30952 
1 1 1 12 4  30  o 140.0178 12.27848 1.394415       0.2349946     1.341916       0.3238344     1.452809       0.3415368     135.2140 17.77532 140.6660 17.99627 -5.451965      25.29481 
1 1 1 12 4  31  o 102.6004 11.16907 0.7490225      0.1556792     0.8565911      0.2395336     0.6703559      0.2048419     108.0195 16.58973 95.47908 16.11059 12.54041       23.12510 
1 1 1 12 4  32  o 112.6477 11.02194 0.9009413      0.1692459     1.103342       0.2623193     0.7566048      0.2215197     123.1230 15.79364 101.4310 16.37395 21.69205       22.74962 
1 1 1 12 4  33  o 227.8304 9.636128 3.637685       0.3031462     3.767184       0.4293125     3.508906       0.4281170     229.8061 13.58967 221.5072 14.07004 8.298874       19.56132 
1 1 1 12 4  34  o 266.8887 9.687040 4.994604       0.3569927     4.935681       0.5035870     5.054128       0.5061505     262.8316 13.92549 266.0376 13.82605 -3.205933      19.62343 
1 1 1 12 4  35  f 286.9252 9.721635 5.776279       0.3851643     5.765539       0.5446747     5.787021       0.5447344     284.3107 13.87414 284.8564 13.84908 -0.5456848     19.60328 
1 1 1 12 4  36  o 200.9518 9.755445 2.834970       0.2706930     2.750991       0.3819462     2.919719       0.3836951     195.6732 14.23373 201.8172 13.85247 -6.143936      19.86178 
1 1 1 12 4  37  f 251.2771 9.712773 4.434982       0.3370033     4.501309       0.4771155     4.368944       0.4760754     250.6143 13.84097 246.7681 14.02963 3.846191       19.70794 
1 1 1 12 4  38  o 125.7129 10.23051 1.119955       0.1760482     1.164400       0.2486744     1.075297       0.2492661     126.6140 14.48428 121.3084 15.21586 5.305603       21.00754 
1 1 1 12 4  39  o 241.5168 9.715426 4.104119       0.3240016     4.230869       0.4585385     3.977736       0.4578772     242.6102 13.74412 234.9195 14.18185 7.690659       19.74907 
1 1 1 12 4  40  o 110.2532 12.19704 0.8751385      0.1825775     1.156421       0.2995754     0.7089217      0.2302884     124.2166 17.98949 96.84195 17.88017 27.37466       25.36380 
1 1 1 12 4  41  o 114.9664 13.29750 0.9593520      0.2071998     0.8110586      0.4144073     1.008781       0.2392522     97.94684 28.75499 117.1061 15.15103 -19.15926      32.50235 
1 1 1 12 4  42  o 255.8048 10.82771 4.641507       0.3824575     4.806362       0.4940423     4.394954       0.6041837     257.7426 13.93337 242.5986 18.16802 15.14392       22.89576 
1 1 1 12 4  43  o 123.4950 11.83952 1.097927       0.1994186     1.132716       0.2563298     1.044587       0.3173974     123.8039 15.32148 115.8925 20.58822 7.911407       25.66364 
1 1 1 12 4  44  f 104.7189 10.96356 0.7882567      0.1561811     0.8064907      0.2231864     0.7707594      0.2186310     103.6806 16.11262 101.2830 16.17719 2.397644       22.83239 
1 1 1 12 4  45  o 70.99474 12.82414 0.3732827      0.1210899     0.3164286      0.1743494     0.4262629      0.1683046     63.84122 18.62540 74.47077 16.77055 -10.62955      25.06306 
1 1 1 12 4  46  o 140.5068 10.44461 1.412897       0.2011924     1.513515       0.2870374     1.315722       0.2820854     143.0242 14.74567 132.6829 15.70118 10.34131       21.53978 
1 1 1 12 4  47  o 132.9820 11.54378 1.278751       0.2098691     1.388932       0.3372967     1.209149       0.2680831     133.9740 18.74619 126.9687 15.62039 7.005287       24.40115 
1 1 1 12 4  48  o 93.25446 12.98386 0.6426330      0.1626545     0.7800145      0.2661311     0.5607153      0.2055041     98.75180 20.19808 84.48409 18.15662 14.26772       27.15926 
1 1 1 12 4  49  o 89.44232 14.25373 0.6013776      0.1701306     0.5395170      0.2489783     0.6555608      0.2330161     80.65714 21.82488 90.67971 19.20720 -10.02257      29.07305 
1 1 1 12 4  50  o 92.52907 14.13488 0.6437441      0.1748660     0.5467089      0.2537138     0.7315490      0.2413453     80.77549 22.10454 95.89989 18.89769 -15.12440      29.08150 
1 1 1 12 4  51  o 34.92478 13.52380 0.6405859E-01  0.9294803E-01 0.1173031E-01  0.1505125     0.9631628E-01  0.1181738     37.25882 16.07042 40.36807 15.34496 -3.109253      22.21995 
1 1 1 12 4  52  o 76.01945 14.38706 0.4413537      0.1454894     0.5758139      0.2342001     0.3568549      0.1856590     83.47913 20.47348 66.29602 19.18516 17.18311       28.05768 
1 1 1 12 4  53  f 142.1593 10.81874 1.466190       0.2107744     1.896567       0.3078298     1.086326       0.2892015     159.1497 14.15548 116.9785 18.52113 42.17127       23.31115 
1 1 1 12 4  54  o 63.71569 14.78013 0.3152321      0.1275168     0.2849492      0.1910929     0.3395419      0.1712126     59.67543 19.83890 64.76702 18.32285 -5.091591      27.00572 
1 1 1 12 4  55  o 171.0815 10.48855 2.118869       0.2465786     2.356173       0.3572624     1.902991       0.3407528     176.5104 14.79461 157.5031 15.88490 19.00735       21.70738 
1 1 1 12 4  56  o 66.76768 16.01362 0.3524594      0.1457352     0.3902592      0.1963096     0.3060502      0.2175201     68.57298 19.69417 61.35333 21.15964 7.219646       28.90659 
1 1 1 12 4  57  o 74.40636 16.47935 0.4393512      0.1648487     0.4278588      0.2384869     0.4498663      0.2281210     70.55977 22.05127 72.60032 21.34036 -2.040550      30.68663 
1 1 1 12 4  58  o 100.6243 12.42546 0.7544460      0.1689781     0.9524143      0.2157540     0.4403401      0.2717686     111.9574 14.28154 70.79939 23.66290 41.15799       27.63866 
1 1 1 12 4  59  o 159.7235 10.40281 1.851243       0.2281820     2.184279       0.3211350     1.511644       0.3242842     170.5401 13.75410 138.5039 17.33583 32.03619       22.12931 
1 1 1 12 4  60  o 82.82229 10.70247 0.5042440      0.1195334     0.4435627      0.1717611     0.5612342      0.1664551     74.30920 17.09529 85.34090 14.65328 -11.03170      22.51594 
1 1 1 12 4  61  o 172.9314 8.913516 2.141804       0.2121198     2.353062       0.3035191     1.940112       0.2965672     178.3377 12.40267 160.9081 13.47169 17.42964       18.31155 
1 1 1 12 4  62  o 78.29031 11.74505 0.4566129      0.1230529     0.4157108      0.1855320     0.4887363      0.1644204     71.04806 18.66839 78.98061 15.62971 -7.932556      24.34742 
1 1 1 12 4  63  o 204.7832 9.438446 3.007707       0.2668903     2.986173       0.4057401     3.024130       0.3543397     198.1577 14.93841 201.9136 12.77500 -3.755920      19.65596 
1 1 1 12 4  64  o 146.3075 9.999383 1.548478       0.2008020     1.839034       0.2646999     1.154605       0.3081894     157.7455 12.24835 119.0878 19.41054 38.65764       22.95193 
1 1 1 12 4  65  o 117.8551 11.44165 1.021993       0.1838516     1.099739       0.2236331     0.8598769      0.3229292     120.7704 13.64985 98.26236 24.00558 22.50808       27.61497 
1 1 1 12 4  66  o 142.9932 11.00346 1.495721       0.2155932     1.505899       0.3152321     1.486776       0.2955122     138.5108 16.82759 138.6664 15.71080 -0.1556244     23.02166 
1 1 1 12 4  67  o 148.1489 10.18307 1.594328       0.2070475     1.964533       0.3291991     1.352047       0.2663157     159.9896 15.07935 132.8282 14.77019 27.16145       21.10794 
1 1 1 12 4  68  o 127.9826 10.23756 1.194319       0.1794050     1.566521       0.2765440     0.9238364      0.2357459     143.3699 14.15385 108.2275 16.27906 35.14243       21.57173 
1 1 1 12 4  69  o 154.4113 10.54488 1.746017       0.2234882     1.969306       0.3193746     1.531763       0.3128468     159.9448 14.62257 138.8964 16.64328 21.04842       22.15442 
1 1 1 12 4  70  o 100.1956 11.64056 0.7516766      0.1580487     0.7300229      0.2254773     0.7725924      0.2216024     93.93941 18.03843 97.51772 17.07948 -3.578308      24.84137 
1 1 1 12 4  71  o 104.3705 10.55740 0.8081532      0.1500578     0.9134723      0.2298728     0.7299480      0.1980850     106.4379 16.14748 95.47238 15.56187 10.96549       22.42572 
1 1 1 12 4  72  o 74.18654 12.08733 0.4235350      0.1195569     0.5312505      0.1824773     0.3425174      0.1582557     79.45532 17.13593 63.16505 17.52722 16.29027       24.51210 
1 1 1 12 4  73  o 105.1424 9.994538 0.8232955      0.1433585     0.6888114      0.2039404     0.9546581      0.2015598     90.28047 16.98287 110.1020 13.54332 -19.82152      21.72187 
1 1 1 12 4  74  o 59.76707 13.05598 0.2876319      0.1047333     0.3820319      0.1502069     0.1983128      0.1461087     66.51147 16.44734 48.44910 17.29130 18.06238       23.86429 
1 1 1 12 4  75  o 59.18200 12.99517 0.2854852      0.1032883     0.3281747      0.1488688     0.2458600      0.1434265     60.29514 17.09517 52.28469 17.17810 8.010456       24.23493 
1 1 1 12 4  76  o 62.43492 13.16045 0.3223311      0.1098820     0.3145087      0.1585504     0.3295607      0.1524239     57.43838 17.98458 59.34716 17.44379 -1.908775      25.05456 
1 1 1 12 4  77  o 62.50086 13.07792 0.3283319      0.1092411     0.4964374      0.1578129     0.1736744      0.1513690     74.25359 15.87281 44.17843 17.21598 30.07515       23.41658 
1 1 1 12 4  78  o 85.32338 11.59751 0.5950394      0.1330972     0.7581956      0.1907337     0.4401847      0.1858182     90.93840 15.76054 63.46330 19.40432 27.47510       24.99845 
1 1 1 12 4  79  o 54.12555 15.05487 0.2821526      0.1166117     0.4617399      0.1534195     0.3645193E-01  0.1794511     68.14323 16.48440 35.06882 16.12978 33.07441       23.06307 
1 1 1 12 4  80  o 113.4156 12.77818 1.149241       0.1966282     1.265316       0.2767594     1.030935       0.2794082     103.8712 20.02202 85.87338 23.07151 17.99777       30.54793 
1 1 1 12 4  81  o 46.55511 15.30700 0.2443073      0.1138753     0.4242671      0.1788557     0.1216243      0.1476750     54.03980 19.14768 35.08814 15.50555 18.95166       24.63850 
1 1 1 12 4  82  o 77.59482 13.18214 0.6037875      0.1361866     0.6446584      0.1951251     0.5649683      0.1901645     64.19178 19.92730 58.70217 19.79312 5.489613       28.08673 
1 1 1 12 4  83  o 38.62101 14.72248 0.2076613      0.1089739     0.3524037      0.1707293     0.1081508      0.1415614     41.79615 17.53391 30.50044 14.13389 11.29570       22.52121 
1 1 1 12 4  84  o 38.62354 15.53735 0.2755888      0.1270038     0.4380137      0.1804591     0.1161836      0.1787738     40.52428 17.53749 28.35416 13.85075 12.17012       22.34741 
1 1 1 12 4  85  o 22.51231 10.73427 0.3297083E-01  0.9259458E-01 0.1182974      0.1184320     -0.1012035     0.1485120     26.29259 12.42034 20.98930 10.60710 5.303289       16.33326 
1 1 1 12 4  86  o 31.45613 13.81170 0.2815752      0.1154274     0.3878399      0.1563681     0.1543395      0.1711033     30.05606 14.22066 23.31024 11.73030 6.745821       18.43440 
1 1 1 12 4  87  o 23.01762 11.05883 0.1690558      0.1024032     0.1971142      0.1609361     0.1499673      0.1327422     21.07419 10.69311 20.99495 10.53318 0.7924461E-01  15.00968 
1 1 1 12 4  88  o 20.02993 9.988188 0.1967411      0.1113696     0.3873810      0.1966361     0.1067063      0.1351330     19.16281 9.861274 17.70470 9.055132 1.458113       13.38806 
1 1 1 12 4  89  o 15.88450 8.065350 0.9102654E-01  0.9265175E-01 0.5188431E-01  0.1375245     0.1235585      0.1253754     15.02385 7.753768 15.75015 8.094705 -0.7263002     11.20916 
1 1 1 12 4  90  o 13.63365 6.996134 0.6267781E-01  0.8779968E-01 0.1739196      0.1221993     -0.5603085E-01 0.1262339     14.23932 7.347301 12.67935 6.576815 1.559964       9.860899 
1 1 1 12 4  91  o 11.29360 5.818364 -0.2864820E-01 0.7156886E-01 -0.7469555E-01 0.1057548     0.1025971E-01  0.9721134E-01 11.35056 5.890711 11.84800 6.134391 -0.4974394     8.504776 
1 1 1 12 4  92  o 11.04289 5.716298 0.5421513E-01  0.8320148E-01 0.1187274E-01  0.1207868     0.9244602E-01  0.1147728     10.72920 5.580245 11.06947 5.752282 -0.3402624     8.014231 
1 1 1 12 4  93  o ?        ?        -0.1855398     0.4609907E-01 -0.2713610     0.7483155E-01 -0.1330507     0.5852240E-01 8.093173 4.211298 8.293790 4.306141 -0.2006168     6.023113 
1 1 1 12 4  94  o 8.658450 4.506767 0.1165049      0.9312433E-01 0.2551417E-01  0.1322542     0.2059800      0.1311481     8.355966 4.351543 8.637384 4.498344 -0.2814188     6.258676 
1 1 1 12 4  95  o 6.900776 3.593487 -0.9540114E-01 0.7035425E-01 -0.7875493E-01 0.1016547     -0.1107048     0.9746911E-01 7.088481 3.690947 7.025153 3.658147 0.6332779E-01  5.196646 
1 1 1 12 4  96  o 6.095588 3.173508 -0.2391732E-01 0.7954416E-01 -0.2973941E-01 0.1134803     -0.1829365E-01 0.1115299     6.117741 3.179686 6.125671 3.184489 -0.7929802E-02 4.500153 
1 1 1 12 4  97  o 5.174773 2.688470 0.4667623E-01  0.8613321E-01 0.2672355E-01  0.1237836     0.6540575E-01  0.1199294     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 4  98  o ?        ?        0.4478374E-02  0.7649270E-01 -0.5880689E-02 0.1109654     0.1385791E-01  0.1055888     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 4  99  o ?        ?        0.2437810      0.1145001     0.2256507      0.1504609     0.2687273      0.1764916     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 4  100 o ?        ?        -0.6223211E-02 0.9387763E-01 0.6563409E-01  0.1316191     -0.8063411E-01 0.1339373     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 4  101 o ?        ?        -0.3262875E-01 0.8239096E-01 -0.2867365E-01 0.1416555     -0.3465076E-01 0.1012853     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 4  102 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 5  0   o 292.3654 24.34287 6.257796       0.9670591     0.000000       0.000000      6.257796       0.9670591     292.3654 24.34287 292.3654 24.34287 0.000000       0.000000 
1 1 1 12 5  1   o 197.1097 16.84521 2.805462       0.4540788     3.116306       0.6446392     2.499346       0.6397179     203.8976 23.31556 180.3670 26.47368 23.53053       35.27707 
1 1 1 12 5  2   o 127.8757 17.40731 1.194841       0.2993799     1.194702       0.4216125     1.194982       0.4251842     124.2732 25.42649 124.1827 25.64505 0.9045410E-01  36.11337 
1 1 1 12 5  3   o 217.0095 16.73692 3.395110       0.4976512     3.484472       0.7030759     3.305387       0.7044966     215.1615 24.07738 208.9118 24.91319 6.249680       34.64661 
1 1 1 12 5  4   o 125.9694 17.35788 1.159702       0.2939067     1.610682       0.4140778     0.7018216      0.4172339     147.1151 20.97804 94.48980 29.10766 52.62528       35.87944 
1 1 1 12 5  5   o 97.79362 18.16304 0.7097074      0.2362368     0.6422278      0.3272659     0.7831234      0.3413580     90.97527 25.19084 100.4517 24.76691 -9.476433      35.32674 
1 1 1 12 5  6   o 103.7692 18.25711 0.7975345      0.2520486     0.4670046      0.3466206     1.168412       0.3671674     79.48695 26.72286 124.3777 22.19284 -44.89077      34.73663 
1 1 1 12 5  7   o 153.2975 17.09595 1.706645       0.3557177     1.728868       0.4952910     1.682970       0.5112079     150.4964 24.69045 147.6978 26.01643 2.798660       35.86743 
1 1 1 12 5  8   o 274.4750 13.52881 5.334593       0.5127438     4.873500       0.6199428     6.332956       0.9122249     259.7372 17.38578 291.7112 22.82909 -31.97400      28.69552 
1 1 1 12 5  9   o 209.3981 16.84131 3.165502       0.4828342     3.594498       0.6800630     2.729451       0.6856322     219.3966 22.78029 187.9709 27.20701 31.42567       35.48469 
1 1 1 12 5  10  o 132.0209 17.32222 1.272589       0.3081590     1.569211       0.4267022     0.9492396      0.4455114     144.5652 22.07589 108.9406 29.07466 35.62460       36.50589 
1 1 1 12 5  11  o 168.8860 13.69548 2.033622       0.3166302     1.794763       0.3812405     2.564714       0.5684767     156.8257 17.92744 185.0144 22.73010 -28.18864      28.94910 
1 1 1 12 5  12  o 120.1876 13.97434 1.037485       0.2275859     1.187556       0.2735523     0.7000508      0.4101913     128.0349 15.80867 94.25657 28.83197 33.77831       32.88155 
1 1 1 12 5  13  o 115.0360 17.99226 0.9752196      0.2764331     0.9250296      0.3777879     1.033060       0.4055588     108.8496 25.56987 114.8875 26.15192 -6.037865      36.57515 
1 1 1 12 5  14  o 159.0439 17.38588 1.840786       0.3755952     1.435049       0.5150622     2.301576       0.5488942     134.4971 28.61317 174.6960 23.33802 -40.19891      36.92393 
1 1 1 12 5  15  f 211.5712 13.59591 3.185149       0.3950910     3.181323       0.4758311     3.193643       0.7089502     209.9601 16.54672 204.3930 25.68691 5.567154       30.55506 
1 1 1 12 5  16  o 171.5933 13.77168 2.101312       0.3235570     2.208954       0.3888804     1.859172       0.5832557     174.8463 16.29495 153.4950 28.57001 21.35130       32.89028 
1 1 1 12 5  17  o 157.8138 17.64705 1.817089       0.3779684     1.663278       0.5157430     1.995545       0.5555274     146.1931 26.52556 160.8295 25.89405 -14.63634      37.06895 
1 1 1 12 5  18  o 171.9775 14.03658 2.114365       0.3304205     2.120161       0.3989910     2.101711       0.5894880     170.8032 17.14878 164.3923 26.89962 6.410843       31.90094 
1 1 1 12 5  19  o 102.3659 25.75335 0.8235581      0.3637043     0.8235581      0.3637043     0.000000       0.000000      102.3659 25.75335 ?        ?        0.000000       25.75335 
1 1 1 12 5  20  o 188.8923 16.95985 2.588534       0.4376445     2.588534       0.4376445     0.000000       0.000000      188.8923 16.95985 ?        ?        0.000000       16.95985 
1 1 1 12 5  21  o 278.1788 16.86428 5.593317       0.6447239     5.593317       0.6447239     0.000000       0.000000      278.1788 16.86428 ?        ?        0.000000       16.86428 
1 1 1 12 5  22  o 255.6159 13.79052 4.656763       0.4849494     5.003944       0.5888424     3.924877       0.8549531     263.4068 16.26917 223.7944 28.29903 39.61241       32.64232 
1 1 1 12 5  23  o 261.6255 13.81347 4.880489       0.4972548     5.012052       0.6007943     4.594359       0.8860147     263.2987 16.61004 243.5505 26.78875 19.74821       31.52032 
1 1 1 12 5  24  o 103.4701 12.92468 0.7696808      0.1806322     1.103015       0.2516173     0.4152194      0.2594687     123.3488 15.08748 74.06409 22.97706 49.28468       27.48776 
1 1 1 12 5  25  o 159.5421 10.69945 1.797806       0.2343432     1.720672       0.3659877     1.851406       0.3050859     153.1736 17.62526 160.6993 13.88537 -7.525726      22.43777 
1 1 1 12 5  26  o 151.7237 9.719818 1.620714       0.2025628     1.773865       0.2842515     1.462693       0.2887353     157.5105 13.19084 142.2378 14.92336 15.27269       19.91745 
1 1 1 12 5  27  o 155.8906 9.656213 1.710848       0.2068339     1.856791       0.2904995     1.560799       0.2945572     161.1250 13.17222 147.0030 14.70867 14.12204       19.74468 
1 1 1 12 5  28  o 127.7363 9.839979 1.152034       0.1722223     1.308645       0.2419742     0.9912524      0.2451757     135.0679 13.14053 116.4503 15.64311 18.61762       20.42989 
1 1 1 12 5  29  o 179.4475 9.647721 2.266681       0.2381786     2.390320       0.3351409     2.140509       0.3385560     182.7042 13.37737 172.3770 14.35421 10.32719       19.62135 
1 1 1 12 5  30  o 183.5486 9.661900 2.372779       0.2440168     2.353627       0.3420526     2.392627       0.3482134     180.9756 13.79167 182.4047 13.93053 -1.429184      19.60281 
1 1 1 12 5  31  o 98.82838 11.32781 0.6993262      0.1517929     0.7543341      0.1984015     0.6216742      0.2357268     101.5641 14.56392 90.13477 19.50613 11.42931       24.34331 
1 1 1 12 5  32  o 157.3018 10.90646 1.757009       0.2354318     1.919365       0.3725604     1.649071       0.3037728     161.3834 16.97296 150.6349 14.79538 10.74850       22.51632 
1 1 1 12 5  33  o 140.7575 12.15068 1.419631       0.2338473     1.259032       0.3375903     1.567774       0.3242339     128.8497 19.59162 145.8858 16.37857 -17.03609      25.53603 
1 1 1 12 5  34  o 95.48561 12.14184 0.6589678      0.1564680     0.8917909      0.2498716     0.5087832      0.2006857     109.1508 17.14378 81.51105 18.28110 27.63975       25.06208 
1 1 1 12 5  35  o 62.66035 13.49847 0.2921698      0.1133446     0.4560955      0.1865637     0.1962659      0.1426993     77.14035 17.86616 52.18992 17.13389 24.95043       24.75419 
1 1 1 12 5  36  o 132.8530 11.31157 1.263478       0.2055312     1.307232       0.2595914     1.189971       0.3364694     133.7802 14.27308 124.2274 20.31764 9.552818       24.82997 
1 1 1 12 5  37  o 103.8082 11.98349 0.7793903      0.1686163     0.8672047      0.2122096     0.6290004      0.2777098     108.4704 14.53368 88.38438 22.65109 20.08598       26.91282 
1 1 1 12 5  38  o 82.27280 11.32910 0.4908436      0.1252898     0.5714171      0.1754153     0.4069316      0.1790126     87.40896 15.07834 72.46441 17.97694 14.94455       23.46331 
1 1 1 12 5  39  o 91.80310 10.95161 0.6083422      0.1360866     0.6517860      0.1906618     0.5632241      0.1943008     93.24010 15.34270 85.79353 17.00241 7.446564       22.90153 
1 1 1 12 5  40  o 116.4646 10.61994 0.9736837      0.1689088     1.032307       0.2376622     0.9138505      0.2401028     117.8372 14.94198 110.0536 16.29219 7.783592       22.10652 
1 1 1 12 5  41  o 102.5478 11.01496 0.7598432      0.1535280     0.8181322      0.2158901     0.7002052      0.2183740     104.3306 15.45324 95.47892 17.19608 8.851685       23.11943 
1 1 1 12 5  42  o 67.71794 12.80626 0.3421603      0.1153600     0.4052277      0.1631505     0.2791034      0.1631369     72.26977 16.68662 59.92882 18.15086 12.34095       24.65556 
1 1 1 12 5  43  o 40.38629 13.68546 0.1136983      0.9091620E-01 -0.6104566E-01 0.1459047     0.2246139      0.1162424     32.90103 14.90595 54.18119 15.01703 -21.28016      21.15888 
1 1 1 12 5  44  o 84.62589 14.67492 0.5424106      0.1652656     0.5892177      0.2484904     0.5052847      0.2213061     84.57063 21.29282 78.79163 20.23541 5.778999       29.37441 
1 1 1 12 5  45  o 131.5627 11.42532 1.258301       0.2054969     1.315709       0.2729787     1.183219       0.3121842     132.0505 15.25153 122.3313 19.10610 9.719177       24.44693 
1 1 1 12 5  46  o 74.10818 13.89227 0.4165410      0.1369369     0.5022840      0.1849831     0.3125891      0.2036802     79.79946 17.28762 62.45318 20.46847 17.34628       26.79217 
1 1 1 12 5  47  o 185.2905 10.08607 2.468052       0.2570837     2.541360       0.3637751     2.394907       0.3633677     184.3168 14.40780 178.4470 14.88262 5.869827       20.71417 
1 1 1 12 5  48  o 138.0045 10.50289 1.378053       0.1986405     1.349171       0.2791000     1.407701       0.2827762     133.0950 15.47549 136.1070 15.31198 -3.011963      21.77033 
1 1 1 12 5  49  o 122.9588 10.69874 1.098387       0.1798376     1.159897       0.2548018     1.037331       0.2538582     123.3297 15.29014 115.8154 16.32706 7.514290       22.36876 
1 1 1 12 5  50  o 51.11921 15.48856 0.2019747      0.1187735     0.3421186      0.1633631     0.4482261E-01  0.1729924     65.16789 17.69743 41.19571 17.48478 23.97219       24.87803 
1 1 1 12 5  51  o 117.1955 13.44744 1.029411       0.2136750     1.164894       0.2982426     0.8865256      0.3062820     120.8212 18.46282 101.9227 22.37592 18.89854       29.00961 
1 1 1 12 5  52  o 94.77834 14.62152 0.6872490      0.1851993     0.6298295      0.2581008     0.7481890      0.2658958     85.79447 21.75547 94.42928 20.94109 -8.634804      30.19652 
1 1 1 12 5  53  o 129.6942 11.79804 1.238744       0.2089745     1.450471       0.3278570     1.093864       0.2712063     135.1548 18.01641 117.8835 17.16525 17.27127       24.88447 
1 1 1 12 5  54  o 104.9174 12.55977 0.8208333      0.1783393     0.7285665      0.2780437     0.8853235      0.2324546     91.94028 22.16114 106.4427 16.33747 -14.50243      27.53232 
1 1 1 12 5  55  o 85.02518 13.53293 0.5488655      0.1535578     0.6007967      0.2396687     0.5127020      0.2000012     84.27065 20.73760 79.09371 18.62127 5.176941       27.87113 
1 1 1 12 5  56  o 45.64315 14.70855 0.1570803      0.1054101     0.1357355      0.1534013     0.1761750      0.1450903     45.78469 17.46423 48.85757 17.25286 -3.072887      24.54914 
1 1 1 12 5  57  o 49.95085 14.45648 0.1933143      0.1054124     0.2569128E-01  0.1519338     0.3488918      0.1463730     37.89329 16.24192 66.21644 16.15264 -28.32315      22.90650 
1 1 1 12 5  58  o 62.10098 15.68781 0.3052522      0.1345675     0.3595047      0.2241998     0.2747014      0.1682428     65.26628 21.47887 58.34872 18.55908 6.917564       28.38629 
1 1 1 12 5  59  o 96.34775 14.79992 0.7130350      0.1905997     0.9106302      0.3866452     0.6496037      0.2190667     97.62916 27.50510 89.55120 18.33325 8.077957       33.05508 
1 1 1 12 5  60  o 104.3503 17.42884 0.8646614      0.2422732     1.167807       0.4188938     0.7122881      0.2969840     111.4182 27.41476 89.54046 23.66327 21.87776       36.21490 
1 1 1 12 5  61  o 49.41948 16.72374 0.1851975      0.1357636     0.2801934      0.1912819     0.8876401E-01  0.1927237     58.85676 19.85115 45.15812 18.76123 13.69864       27.31395 
1 1 1 12 5  62  o 71.94958 17.00588 0.4166407      0.1662817     0.5362659      0.2351427     0.2969850      0.2351729     79.08515 21.13039 60.50619 21.89573 18.57896       30.42887 
1 1 1 12 5  63  o 101.6316 13.17223 0.7792154      0.1805046     0.9733881      0.2893410     0.6554967      0.2309583     108.1947 20.10732 88.89142 19.36426 19.30325       27.91557 
1 1 1 12 5  64  o 46.14291 15.84118 0.1589813      0.1218475     0.2010910      0.1998974     0.1340852      0.1537029     52.55051 19.96197 45.41272 17.44351 7.137794       26.50955 
1 1 1 12 5  65  o 126.1680 14.11859 1.218473       0.2417513     2.086676       0.5029036     0.9575520      0.2756951     151.6385 24.88125 107.3510 19.30874 44.28752       31.49451 
1 1 1 12 5  66  o 62.53857 18.72566 0.3307930      0.1743648     0.1894336E-01  0.3164915     0.4666969      0.2089323     48.92526 22.07877 73.32237 20.05673 -24.39711      29.82858 
1 1 1 12 5  67  o 83.93144 16.48804 0.5735347      0.1842704     0.9321145      0.2693714     0.2581440      0.2526289     104.7804 19.33017 56.57116 22.18662 48.20923       29.42621 
1 1 1 12 5  68  o 60.80425 16.12059 0.3067229      0.1375453     0.3437192      0.1842803     0.2601871      0.2066775     62.45974 19.36167 55.39982 20.45175 7.059917       28.16288 
1 1 1 12 5  69  o 62.69489 15.02784 0.3230476      0.1284035     0.4693484      0.1877699     0.1945382      0.1759827     73.01597 18.57845 49.43196 18.74123 23.58401       26.38925 
1 1 1 12 5  70  o 60.63705 13.50894 0.2967212      0.1102125     0.4508551      0.1453438     0.8818593E-01  0.1690585     74.22655 14.70073 41.35805 17.40404 32.86851       22.78184 
1 1 1 12 5  71  o 64.05658 13.50156 0.3337780      0.1156576     0.4752285      0.1520165     0.1393599      0.1782201     75.39970 15.12714 44.54080 18.22510 30.85889       23.68511 
1 1 1 12 5  72  o 44.06770 13.35126 0.1604540      0.8825736E-01 0.1246548      0.1272521     0.1936360      0.1225123     40.77777 15.81443 47.28056 15.88718 -6.502785      22.41648 
1 1 1 12 5  73  o 70.45201 12.52940 0.4040493      0.1174216     0.4631343      0.1798654     0.3601652      0.1550111     69.32321 18.46092 61.86520 17.41078 7.458008       25.37599 
1 1 1 12 5  74  o 37.54589 13.37639 0.1147313      0.8740088E-01 0.1258594      0.1327376     0.1062139      0.1161280     39.86531 15.93798 37.64460 14.95334 2.220707       21.85456 
1 1 1 12 5  75  f 40.70401 14.36842 0.1482975      0.1006228     0.6240572E-01  0.1383209     0.2448422      0.1466481     34.88241 15.22251 48.77326 17.33210 -13.89085      23.06787 
1 1 1 12 5  76  o 69.84988 14.49203 0.4521074      0.1351954     0.6519074      0.1885093     0.2405004      0.1939992     79.38092 17.65441 45.26243 18.81543 34.11849       25.80114 
1 1 1 12 5  77  o 75.98972 12.95391 0.5233002      0.1310488     0.6235273      0.2004032     0.4484217      0.1732170     71.01848 19.72969 60.44281 18.77725 10.57566       27.23685 
1 1 1 12 5  78  o 27.35547 11.62096 0.4674793E-01  0.7653257E-01 -0.5359653E-01 0.1177319     0.1201829      0.1007161     25.10620 12.00780 34.66048 13.87388 -9.554283      18.34861 
1 1 1 12 5  79  o 23.58550 10.58666 0.1452571E-01  0.7165682E-01 -0.2763017E-01 0.1044254     0.5204036E-01  0.9850931E-01 24.20730 11.50190 28.07425 12.52025 -3.866951      17.00149 
1 1 1 12 5  80  o 21.90001 10.17721 -0.3888285E-02 0.7418536E-01 -0.1618254     0.1158003     0.1060505      0.9661465E-01 20.14614 10.06762 30.57367 13.02407 -10.42752      16.46157 
1 1 1 12 5  81  o 38.73536 14.53213 0.2333478      0.1051809     0.1852451      0.1600346     0.2699274      0.1395561     30.85844 14.53454 36.49106 15.60156 -5.632620      21.32279 
1 1 1 12 5  82  o 26.48632 12.04955 0.1068803      0.9658685E-01 0.2503135      0.1204077     -0.1519885     0.1617593     33.51762 14.41520 20.79017 10.56635 12.72745       17.87304 
1 1 1 12 5  83  o 15.10468 7.592088 -0.1007360     0.7058468E-01 0.5740836E-01  0.1015203     -0.2487227     0.9820585E-01 21.84227 10.61769 14.76667 7.565215 7.075604       13.03717 
1 1 1 12 5  84  o 19.66646 9.582692 0.5564702E-01  0.8405434E-01 0.3543916E-01  0.1341765     0.6869955E-01  0.1078360     19.23628 9.760880 19.92278 9.917556 -0.6864967     13.91520 
1 1 1 12 5  85  o 19.36652 9.566129 0.1232729      0.9320126E-01 0.9347816E-01  0.1481986     0.1427670      0.1198744     17.70395 9.085127 18.82861 9.516889 -1.124662      13.15715 
1 1 1 12 5  86  o 12.16473 6.200351 -0.7230198E-01 0.5880386E-01 -0.5138255E-01 0.9853756E-01 -0.8387271E-01 0.7328358E-01 14.01088 7.201339 12.76832 6.540941 1.242557       9.728474 
1 1 1 12 5  87  o 13.92923 7.141822 0.6045142E-01  0.8946750E-01 0.3055617E-01  0.1334880     0.8483289E-01  0.1205510     13.50330 6.997617 13.92003 7.187203 -0.4167309     10.03108 
1 1 1 12 5  88  o 13.61889 6.999025 0.1528820      0.9453628E-01 0.1523839      0.1302002     0.1534374      0.1374861     12.94862 6.715454 12.88207 6.686275 0.6654739E-01  9.476476 
1 1 1 12 5  89  o 11.30601 5.833783 0.3821084E-01  0.7705782E-01 0.2176107E-01  0.1151618     0.5154683E-01  0.1036910     11.12127 5.779075 11.29233 5.859898 -0.1710663     8.230195 
1 1 1 12 5  90  o 10.11151 5.243637 0.3918637E-01  0.7892294E-01 0.9782296E-01  0.1176028     -0.8861138E-02 0.1064557     10.21053 5.312637 9.855055 5.127062 0.3554792      7.383148 
1 1 1 12 5  91  o 9.057255 4.713072 0.1140072      0.9398655E-01 0.2433863      0.1458855     0.2220409E-01  0.1228878     9.038667 4.707122 8.725952 4.544472 0.3127146      6.542876 
1 1 1 12 5  92  o 7.523080 3.917404 0.1669009E-02  0.8025628E-01 0.3273478E-01  0.1288361     -0.1803010E-01 0.1025935     7.573558 3.942421 7.497267 3.904562 0.7629061E-01  5.548719 
1 1 1 12 5  93  o 6.538717 3.405171 0.1558984E-01  0.8105690E-01 0.7347640E-01  0.1303936     -0.2086695E-01 0.1034801     6.574068 3.417091 6.492887 3.378630 0.8118105E-01  4.805378 
1 1 1 12 5  94  o 5.659823 2.943691 0.7418150E-01  0.8723011E-01 0.6259364E-01  0.1386047     0.8178121E-01  0.1122470     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 5  95  o ?        ?        -0.2827581E-01 0.7226214E-01 -0.1461027     0.1182246     0.4199866E-01  0.9130290E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 5  96  o ?        ?        -0.8930175E-01 0.8125328E-01 0.1069896E-01  0.1147246     -0.1899497     0.1150953     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 5  97  o ?        ?        0.1274710E-01  0.1019087     0.1662937      0.1588572     -0.9463428E-01 0.1328468     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 5  98  o ?        ?        -0.1861842E-01 0.8307035E-01 -0.9550633E-01 0.1488899     0.1613375E-01  0.1000984     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 5  99  o ?        ?        0.3886458E-01  0.1188769     -0.5411574E-01 0.2441230     0.6776574E-01  0.1361040     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  0   o 51.59224 26.31505 0.2853658      0.2360959     0.000000       0.000000      0.2853658      0.2360959     51.59224 26.31505 51.59224 26.31505 0.000000       0.000000 
1 1 1 12 6  1   o 91.35294 18.63132 0.6275619      0.2270550     0.4621115      0.3168440     0.8022202      0.3255412     78.07520 25.52612 101.4991 23.66380 -23.42391      34.80745 
1 1 1 12 6  2   o 115.3320 18.30254 0.9877292      0.2817386     0.3977422      0.3904711     1.628453       0.4069145     76.02216 28.10191 147.5034 20.53559 -71.48119      34.80556 
1 1 1 12 6  3   o 243.5035 16.93119 4.301880       0.5657459     4.279093       0.7959201     4.325149       0.8043171     236.5755 24.73027 237.7262 24.87078 -1.150726      35.07338 
1 1 1 12 6  4   o 119.1654 18.08474 1.051753       0.2882312     1.446068       0.4054041     0.6486957      0.4098735     138.0771 22.00158 90.44312 28.98889 47.63393       36.39265 
1 1 1 12 6  5   o 90.66094 19.12309 0.6208817      0.2318634     0.3838635      0.3176010     0.8913618      0.3392802     73.01560 25.54613 107.1053 23.57935 -34.08974      34.76479 
1 1 1 12 6  6   o 101.3686 25.51880 0.8129617      0.3569473     0.8129617      0.3569473     0.000000       0.000000      101.3686 25.51880 ?        ?        0.000000       25.51880 
1 1 1 12 6  7   o 197.2350 24.93928 2.992329       0.6640339     2.992329       0.6640339     0.000000       0.000000      197.2350 24.93928 ?        ?        0.000000       24.93928 
1 1 1 12 6  8   o 129.4212 25.49558 1.313233       0.4394176     1.313233       0.4394176     0.000000       0.000000      129.4212 25.49558 ?        ?        0.000000       25.49558 
1 1 1 12 6  9   o 133.0701 25.66213 1.389618       0.4544415     1.389618       0.4544415     0.000000       0.000000      133.0701 25.66213 ?        ?        0.000000       25.66213 
1 1 1 12 6  10  o 112.3395 14.22277 0.9137321      0.2156831     0.9137321      0.2156831     0.000000       0.000000      112.3395 14.22277 ?        ?        0.000000       14.22277 
1 1 1 12 6  11  o 127.4828 17.82615 1.201525       0.3052127     1.261060       0.4249505     1.138091       0.4386472     126.8015 25.15843 119.1218 27.25779 7.679710       37.09358 
1 1 1 12 6  12  o 149.9549 17.48100 1.652377       0.3551701     2.107763       0.4989057     1.184435       0.5057368     166.6879 22.22997 119.5562 30.52804 47.13171       37.76417 
1 1 1 12 6  13  o 155.1233 17.51462 1.768192       0.3685899     1.917775       0.5175735     1.614265       0.5250364     157.2704 24.64295 141.9967 27.77264 15.27379       37.12943 
1 1 1 12 6  14  o 171.3559 11.90913 2.087038       0.2800341     2.074018       0.3213595     2.128119       0.5708394     169.9870 13.81047 164.7797 25.94642 5.207321       29.39296 
1 1 1 12 6  15  o 133.8300 14.16891 1.293496       0.2578531     1.448975       0.3130758     0.9656157      0.4546445     140.7053 16.42292 108.0830 29.59529 32.62228       33.84661 
1 1 1 12 6  16  o 86.90939 15.65839 0.5590778      0.1809991     0.7201679      0.2186856     0.2087149      0.3225113     98.52135 16.66962 62.84086 24.93300 35.68049       29.99218 
1 1 1 12 6  17  o 92.10003 15.73164 0.6271680      0.1928812     0.5695007      0.2302878     0.7627010      0.3530445     86.21459 19.76619 97.45005 25.82249 -11.23546      32.51928 
1 1 1 12 6  18  o 117.1920 12.56999 0.9866300      0.2002333     0.9802226      0.2271293     1.008979       0.4241965     116.0821 14.48524 111.0824 27.73924 4.999748       31.29357 
1 1 1 12 6  19  o 158.7608 14.07114 1.819184       0.3052722     1.739955       0.3668903     1.997452       0.5503415     153.3752 17.64536 158.7327 26.01006 -5.357483      31.43059 
1 1 1 12 6  20  o 136.0557 14.36895 1.343055       0.2658639     1.507501       0.3200451     0.9769023      0.4775635     143.1700 16.49040 107.3049 30.68677 35.86514       34.83692 
1 1 1 12 6  21  o 115.3457 14.94353 0.9738760      0.2324141     0.9631644      0.2769026     0.9994116      0.4275350     113.1390 18.35346 109.8097 28.08464 3.329338       33.54991 
1 1 1 12 6  22  o 170.4481 14.18385 2.102588       0.3307980     2.366286       0.3990840     1.523631       0.5913367     179.6149 16.26756 132.4098 32.56793 47.20508       36.40472 
1 1 1 12 6  23  o 232.4554 14.05978 3.900879       0.4491672     3.738478       0.5392495     4.268858       0.8117231     224.8870 17.50339 231.8619 25.79068 -6.974930      31.16934 
1 1 1 12 6  24  o 86.14101 16.44205 0.5578790      0.1884364     0.6448549      0.2187029     0.3072550      0.3712499     92.17249 17.82838 69.15820 26.95852 23.01428       32.32047 
1 1 1 12 6  25  o 72.59324 16.90104 0.4012981      0.1662468     0.4108536      0.1902587     0.3704472      0.3418624     72.92313 18.78074 71.37981 26.31201 1.543320       32.32705 
1 1 1 12 6  26  o 79.25636 16.66879 0.4765235      0.1766380     0.6034554      0.2039248     0.9514315E-01  0.3534794     89.22052 17.17595 58.40462 24.89662 30.81590       30.24657 
1 1 1 12 6  27  f 104.0150 13.33377 0.7897697      0.1870991     1.028986       0.2545688     0.5087547      0.2759144     117.5879 16.10147 79.50867 23.49769 38.07919       28.48507 
1 1 1 12 6  28  f 147.3774 12.44629 1.567196       0.2509156     1.947402       0.3496043     1.163293       0.3603354     162.3466 15.79539 121.1624 22.36160 41.18420       27.37764 
1 1 1 12 6  29  o 109.4207 13.25935 0.8747526      0.1962460     0.7361211      0.2688917     1.032758       0.2870664     96.55334 20.78372 116.2189 18.50904 -19.66551      27.83070 
1 1 1 12 6  30  o 82.28799 14.25385 0.5045803      0.1560928     0.5621685      0.2131170     0.4379355      0.2292634     84.97903 18.67205 74.07555 21.28557 10.90348       28.31467 
1 1 1 12 6  31  o 158.0037 10.92754 1.788332       0.2369474     1.803774       0.3743939     1.778014       0.3060356     154.1508 17.92376 155.5023 14.41665 -1.351501      23.00220 
1 1 1 12 6  32  o 95.06905 12.27344 0.6602753      0.1573555     0.4291693      0.2468776     0.8184047      0.2042126     72.83841 22.38231 104.9477 14.47741 -32.10926      26.65639 
1 1 1 12 6  33  o 101.6701 10.52548 0.7443116      0.1456254     0.8086710      0.2017792     0.6743483      0.2103809     104.2459 14.40247 93.82214 16.85885 10.42372       22.17323 
1 1 1 12 6  34  o 47.40475 12.62955 0.1685328      0.8415762E-01 0.1906755      0.1141432     0.1421586      0.1245733     50.33407 15.16867 45.48209 15.99429 4.851978       22.04327 
1 1 1 12 6  35  f 90.42208 10.91221 0.5934359      0.1334922     0.6583487      0.1849132     0.5227844      0.1929139     93.50777 14.81514 81.76884 17.60656 11.73892       23.01041 
1 1 1 12 6  36  o 159.8498 9.922210 1.828365       0.2179255     1.866274       0.3056282     1.789156       0.3108239     158.7342 14.09041 154.9383 14.70456 3.795944       20.36575 
1 1 1 12 6  37  o 133.1233 11.19223 1.284149       0.2038261     1.059481       0.3176769     1.441354       0.2657352     114.4841 20.86440 139.2902 14.00612 -24.80608      25.12956 
1 1 1 12 6  38  o 111.4483 11.77547 0.9083598      0.1784689     0.9046214      0.2799300     0.9109202      0.2316544     106.1426 19.82863 109.2661 15.81370 -3.123405      25.36233 
1 1 1 12 6  39  o 154.8200 12.24445 1.754928       0.2596246     1.848425       0.3740770     1.668036       0.3606220     154.1238 17.91136 146.0087 18.28811 8.115067       25.59828 
1 1 1 12 6  40  o 114.3633 12.84916 0.9686946      0.1993961     1.007790       0.2347642     0.8674676      0.3777614     115.2310 15.11939 97.32400 27.10591 17.90702       31.03749 
1 1 1 12 6  41  o 66.55654 14.41119 0.3408465      0.1286063     0.3232876      0.1543725     0.3806772      0.2325037     63.74641 17.15856 67.60258 21.85081 -3.856167      27.78262 
1 1 1 12 6  42  o 115.7727 12.67636 0.9931915      0.1993347     0.9597346      0.2343823     1.080647       0.3789440     111.9048 15.59197 110.4182 25.38496 1.486572       29.79103 
1 1 1 12 6  43  o 85.38951 15.61089 0.5650285      0.1772816     0.4661539      0.2198309     0.7489386      0.2998122     74.61601 20.64054 92.82290 23.39843 -18.20689      31.20126 
1 1 1 12 6  44  o 164.6611 12.22650 1.995271       0.2760068     2.019060       0.3888989     1.971128       0.3917823     160.2332 17.88206 157.8483 18.31531 2.384933       25.59724 
1 1 1 12 6  45  o 148.7517 12.22843 1.631427       0.2489477     1.648169       0.3524153     1.614751       0.3517163     144.3395 18.07858 142.6662 18.27391 1.673355       25.70547 
1 1 1 12 6  46  o 82.32446 13.21328 0.5119411      0.1451220     0.4837631      0.1917547     0.5497171      0.2220233     77.14491 18.28098 81.27463 19.93493 -4.129723      27.04802 
1 1 1 12 6  47  o 113.8472 11.57746 0.9540328      0.1794684     0.9768880      0.2363898     0.9229344      0.2757441     112.4778 15.64389 106.3169 19.50172 6.160896       25.00097 
1 1 1 12 6  48  f 111.4232 11.77060 0.9165267      0.1783561     0.9480895      0.2350470     0.8736851      0.2738416     110.5889 15.84519 102.9047 19.99241 7.684166       25.51013 
1 1 1 12 6  49  o 64.99095 12.81300 0.3212604      0.1108980     0.3767842      0.1564376     0.2651711      0.1572324     68.62305 16.67368 57.49150 17.89474 11.13155       24.45881 
1 1 1 12 6  50  o 100.0175 11.40690 0.7375591      0.1547185     0.8169786      0.2216353     0.6620705      0.2160806     102.2099 16.24768 90.71431 17.88621 11.49562       24.16409 
1 1 1 12 6  51  o 128.6730 10.65061 1.206647       0.1875330     1.235847       0.2679920     1.178628       0.2625163     126.5187 15.67580 123.4592 15.75854 3.059502       22.22751 
1 1 1 12 6  52  o 151.6710 10.47459 1.670968       0.2180258     2.007905       0.3137631     1.356379       0.3031793     163.1883 14.06164 131.3322 17.12582 31.85614       22.15905 
1 1 1 12 6  53  o 108.1050 12.62705 0.8716545      0.1849374     0.9596860      0.3042397     0.8200634      0.2329073     106.6927 21.39572 101.7641 17.18705 4.928627       27.44397 
1 1 1 12 6  54  o 50.66494 15.46634 0.1992729      0.1181101     0.4342521      0.2016525     0.7656604E-01  0.1457213     72.11914 19.69453 40.73317 16.55193 31.38597       25.72627 
1 1 1 12 6  55  o 70.38737 18.83583 0.4086684      0.1866736     0.2305885      0.2332225     0.7261575      0.3114064     56.15614 21.50676 89.72175 24.46280 -33.56561      32.57252 
1 1 1 12 6  56  o 139.8672 13.25311 1.464499       0.2529056     1.510899       0.2933908     1.330314       0.4989338     140.2271 15.40616 114.4401 30.86566 25.78704       34.49694 
1 1 1 12 6  57  o 66.91058 16.69215 0.3595180      0.1537129     0.3179514      0.1774063     0.4847039      0.3078747     62.14900 18.95147 72.98770 25.17353 -10.83870      31.50976 
1 1 1 12 6  58  o 78.35465 15.32002 0.4809214      0.1598135     0.5505891      0.2287012     0.4144386      0.2234123     80.44469 20.52265 69.37408 21.28778 11.07061       29.56939 
1 1 1 12 6  59  o 76.75554 15.44443 0.4642120      0.1580204     0.5037655      0.2243767     0.4252882      0.2225833     76.51701 20.72443 70.05503 21.19790 6.461983       29.64546 
1 1 1 12 6  60  o 56.86504 16.10100 0.2600646      0.1321492     0.1652595      0.1907380     0.3475823      0.1832607     49.49836 19.31542 64.23143 19.18945 -14.73307      27.22720 
1 1 1 12 6  61  o 97.82576 14.81587 0.7466683      0.1938678     1.080460       0.3795216     0.6288173      0.2255098     106.1153 26.08530 86.14109 19.42276 19.97420       32.52209 
1 1 1 12 6  62  o 89.52579 17.68813 0.6620777      0.2109047     0.2290316      0.3585847     0.8911114      0.2607801     58.09398 24.92761 102.9131 19.05297 -44.81908      31.37517 
1 1 1 12 6  63  o 69.05725 16.24566 0.3928698      0.1523217     0.2492041      0.2126075     0.5443836      0.2183375     54.92586 20.65022 78.44028 20.07448 -23.51442      28.79959 
1 1 1 12 6  64  o 91.22617 15.15431 0.6701174      0.1841965     0.6010286      0.2607852     0.7388975      0.2602021     79.01508 22.70082 89.77956 21.30869 -10.76448      31.13499 
1 1 1 12 6  65  o 48.61979 15.60605 0.1948058      0.1187555     0.1002661      0.1871968     0.2584781      0.1536266     43.41810 18.29468 54.60206 17.77065 -11.18396      25.50474 
1 1 1 12 6  66  o 119.0387 12.55054 1.104933       0.2031856     1.345862       0.3207008     0.9433696      0.2626198     122.2277 19.66891 102.5597 19.25144 19.66796       27.52243 
1 1 1 12 6  67  o 56.59266 14.79055 0.2712895      0.1168667     0.2900806      0.1665446     0.2530608      0.1640329     55.94640 18.51709 52.71912 18.36385 3.227280       26.07899 
1 1 1 12 6  68  f 63.32285 15.75799 0.3519093      0.1372324     0.5444815      0.2114924     0.2118638      0.1803568     74.17337 20.13355 48.58534 18.83148 25.58803       27.56781 
1 1 1 12 6  69  o 60.47059 17.60121 0.3492996      0.1558630     0.3580023      0.2082989     0.3382278      0.2349461     57.65609 20.63857 55.25660 21.47201 2.399498       29.78251 
1 1 1 12 6  70  o 50.94230 17.17244 0.2541790      0.1431410     0.3157077      0.1885740     0.1705283      0.2198759     53.95018 19.59399 44.55288 19.31954 9.397305       27.51670 
1 1 1 12 6  71  o 42.17648 15.83553 0.1665203      0.1249423     0.3363592      0.1608845     -0.9155664E-01 0.1983217     56.01900 18.18333 32.35537 15.50385 23.66363       23.89566 
1 1 1 12 6  72  o 24.38259 10.89806 -0.1490346E-02 0.7508155E-01 -0.6446673E-01 0.1101659     0.5313306E-01  0.1026001     25.16065 11.91378 31.19597 13.35850 -6.035318      17.89937 
1 1 1 12 6  73  o 25.73824 11.58041 0.4877060E-02  0.8631387E-01 0.6197367E-01  0.1278043     -0.4300465E-01 0.1170375     32.43958 14.37542 26.28087 12.39403 6.158707       18.98064 
1 1 1 12 6  74  o 25.41879 11.63788 0.1560243E-02  0.9196625E-01 0.2409923      0.1378203     -0.1906324     0.1234782     43.49950 16.56285 21.42938 10.65856 22.07012       19.69601 
1 1 1 12 6  75  o 29.52662 13.06921 0.6816096E-01  0.1053325     -0.3008916E-01 0.1576836     0.1473289      0.1415451     27.62746 13.38375 34.63354 15.24864 -7.006084      20.28905 
1 1 1 12 6  76  f 30.47487 13.45738 0.1035112      0.1110448     0.1734864      0.1666207     0.4759568E-01  0.1489439     33.26826 15.38735 28.39289 13.55922 4.875376       20.50909 
1 1 1 12 6  77  o 27.73262 12.87717 0.8634607E-01  0.1183794     0.1463931E-01  0.2034212     0.1230652      0.1455669     26.74197 13.36071 29.20571 13.78832 -2.463739      19.19964 
1 1 1 12 6  78  o 21.07855 10.44733 -0.4826464E-01 0.1146293     -0.3219574     0.1774959     0.1475594      0.1501376     19.74109 10.11750 27.40465 13.22294 -7.663561      16.64962 
1 1 1 12 6  79  o 25.39625 12.11322 0.1395644      0.1181082     0.1573736      0.1642255     0.1204843      0.1699838     24.61519 12.25107 23.81079 11.94224 0.8043976      17.10865 
1 1 1 12 6  80  o 20.30397 10.01453 0.5284782E-01  0.1008533     0.7872944E-02  0.1329100     0.1138937      0.1548463     19.54184 9.893937 21.29580 10.77010 -1.753958      14.62481 
1 1 1 12 6  81  o 18.52137 9.227130 0.6881300E-01  0.9409252E-01 0.5767863E-01  0.1328143     0.8003247E-01  0.1333210     18.06501 9.217542 18.37448 9.362868 -0.3094692     13.13874 
1 1 1 12 6  82  o 18.96231 9.583105 0.2468316      0.1212892     0.2812508      0.1711267     0.2120869      0.1719339     17.57944 9.053795 17.04955 8.794271 0.5298882      12.62182 
1 1 1 12 6  83  o 15.20263 7.827260 0.1543686      0.1263473     0.2929358      0.2563399     0.1099024      0.1452114     14.68466 7.642415 14.64356 7.577949 0.4109383E-01  10.76252 
1 1 1 12 6  84  o 11.61991 5.994133 -0.7754498E-01 0.8016120E-01 -0.1290889     0.1167719     -0.3160622E-01 0.1102400     11.91848 6.185557 12.43480 6.441169 -0.5163174     8.930273 
1 1 1 12 6  85  o 11.60876 6.009239 0.7575938E-02  0.9197345E-01 0.2845874E-01  0.1195888     -0.2266012E-01 0.1438993     11.75201 6.102551 11.57148 6.018877 0.1805315      8.571348 
1 1 1 12 6  86  o 10.74885 5.577600 0.4516895E-01  0.9343804E-01 -0.2510434E-01 0.1284482     0.1241483      0.1361726     10.45217 5.439472 10.89213 5.667916 -0.4399548     7.855770 
1 1 1 12 6  87  o 9.606268 4.987809 0.3678699E-01  0.7893936E-01 0.1053790      0.1219061     -0.1274285E-01 0.1035910     9.705366 5.052771 9.378603 4.880798 0.3267632      7.025146 
1 1 1 12 6  88  o 8.220733 4.276655 -0.6047225E-02 0.7380225E-01 0.2619431E-01  0.1132026     -0.2988148E-01 0.9733061E-01 8.327216 4.336756 8.191916 4.265646 0.1353006      6.083025 
1 1 1 12 6  89  o 7.101148 3.697479 -0.4256250E-01 0.7028132E-01 0.2552632E-01  0.1086746     -0.9151273E-01 0.9214406E-01 7.293801 3.797513 7.078917 3.686296 0.2148843      5.292436 
1 1 1 12 6  90  o 6.340263 3.300391 0.8462200E-01  0.9041372E-01 -0.9288422E-02 0.1383417     0.1546419      0.1194557     ?        ?        6.351597 3.301637 0.000000       3.301637 
1 1 1 12 6  91  o 5.379560 2.795604 0.1040040      0.8955809E-01 0.4707208E-01  0.1378662     0.1455672      0.1177970     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  92  o ?        ?        0.3516486E-01  0.8741785E-01 0.2511354E-01  0.1208499     0.4619646E-01  0.1266059     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  93  o ?        ?        0.1496144E-01  0.7821564E-01 0.1291269      0.1083326     -0.1093527     0.1130451     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  94  o ?        ?        0.1943072      0.1119901     0.1865700      0.1542105     0.2029412      0.1629026     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  95  o ?        ?        -0.4278378E-02 0.6974734E-01 -0.5268330E-01 0.1064982     0.3207614E-01  0.9229473E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 6  96  o ?        ?        -0.9063298E-01 0.9189209E-01 0.000000       0.000000      -0.9063298E-01 0.9189209E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  0   o 140.7828 29.42803 1.644028       0.5041118     0.000000       0.000000      1.644028       0.5041118     140.7828 29.42803 140.7828 29.42803 0.000000       0.000000 
1 1 1 12 7  1   o 223.8879 17.25868 3.722698       0.5294356     3.919643       0.7507640     3.527868       0.7467226     221.6276 24.96742 208.4214 26.54936 13.20615       36.44504 
1 1 1 12 7  2   o 135.3365 17.88457 1.378353       0.3260319     1.514378       0.4606411     1.241811       0.4615176     136.6788 25.34062 121.3680 28.09408 15.31082       37.83416 
1 1 1 12 7  3   f 149.5724 17.98951 1.681675       0.3640909     2.276764       0.5202776     1.110559       0.5096900     170.4980 22.66058 111.8397 31.60483 58.65830       38.88916 
1 1 1 12 7  4   o 85.59350 25.81775 0.6038595      0.3305582     0.000000       0.000000      0.6038595      0.3305582     ?        ?        85.59350 25.81775 0.000000       25.81775 
1 1 1 12 7  5   o 112.2012 27.29563 1.057518       0.4188498     0.000000       0.000000      1.057518       0.4188498     ?        ?        112.2012 27.29563 0.000000       27.29563 
1 1 1 12 7  6   o 131.4736 18.45231 1.310211       0.3257622     1.030870       0.4521025     1.611851       0.4698017     109.1907 29.35265 141.1940 25.01241 -32.00330      38.56422 
1 1 1 12 7  7   o 77.72426 19.47893 0.4721943      0.2086400     0.6690848      0.2895754     0.2596426      0.3008718     91.04076 23.02092 63.33157 24.38527 27.70919       33.53512 
1 1 1 12 7  8   f 52.47178 20.61905 0.1497933      0.2185913     0.000000       0.000000      0.1497933      0.2185913     ?        ?        52.47178 20.61905 0.000000       20.61905 
1 1 1 12 7  9   o 73.14703 24.60541 0.4222032      0.2938680     0.000000       0.000000      0.4222032      0.2938680     ?        ?        73.14703 24.60541 0.000000       24.60541 
1 1 1 12 7  10  o 171.1266 26.95061 2.418609       0.6157655     0.000000       0.000000      2.418609       0.6157655     ?        ?        171.1266 26.95061 0.000000       26.95061 
1 1 1 12 7  11  o 111.3928 19.17089 0.9561017      0.2842389     1.473866       0.3993256     0.4243683      0.4046768     136.8758 21.86400 75.00398 28.42358 61.87178       35.85993 
1 1 1 12 7  12  f 44.21498 15.14614 0.1345360      0.1113710     0.1627472      0.1289958     0.5193871E-01  0.2207234     48.06907 16.30140 46.81184 19.80262 1.257225       25.64916 
1 1 1 12 7  13  o 60.53413 22.85668 0.2455961      0.2610820     0.000000       0.000000      0.2455961      0.2610820     ?        ?        60.53413 22.85668 0.000000       22.85668 
1 1 1 12 7  14  o 42.37424 18.20210 0.1864247E-01  0.1915640     0.000000       0.000000      0.1864247E-01  0.1915640     ?        ?        42.37424 18.20210 0.000000       18.20210 
1 1 1 12 7  15  o 59.77055 19.60654 0.2701689      0.1868722     0.1086360      0.2537651     0.4615453      0.2762140     52.12061 21.58063 75.37111 23.75944 -23.25050      32.09727 
1 1 1 12 7  16  o 66.25145 24.17521 0.3266267      0.2875498     0.000000       0.000000      0.3266267      0.2875498     ?        ?        66.25145 24.17521 0.000000       24.17521 
1 1 1 12 7  17  o 86.67121 15.94466 0.5699053      0.1837903     0.6177106      0.2179435     0.4522122      0.3419650     89.13514 18.31985 74.73700 26.47674 14.39814       32.19681 
1 1 1 12 7  18  o 132.1228 19.26222 1.352807       0.3410803     0.9894696      0.4706860     1.754569       0.4949488     103.9713 30.68007 145.1163 25.63813 -41.14505      39.98225 
1 1 1 12 7  19  f 81.10341 20.63981 0.5291668      0.2317211     0.6699610      0.3238447     0.3814568      0.3317028     88.79485 25.22727 70.17193 25.90860 18.62292       36.16172 
1 1 1 12 7  20  o 88.45031 20.64202 0.6291787      0.2475103     0.6747723      0.3470535     0.5819853      0.3530895     88.26199 26.41621 82.16540 26.95067 6.096596       37.73798 
1 1 1 12 7  21  o 102.5645 20.32840 0.8384168      0.2777229     1.013436       0.3923212     0.6626133      0.3931992     108.2156 26.47292 86.32278 28.44636 21.89285       38.85886 
1 1 1 12 7  22  o 128.1178 14.76537 1.223574       0.2564308     1.609594       0.3101066     0.3888478      0.4560135     146.5499 15.56269 72.70298 29.37277 73.84695       33.24089 
1 1 1 12 7  23  o 151.7773 14.59027 1.712282       0.3020116     1.700685       0.3647833     1.737553       0.5384935     148.4548 18.17478 139.6738 28.87476 8.780975       34.11853 
1 1 1 12 7  24  o 50.23944 16.96145 0.1849816      0.1396473     0.2041477      0.1623809     0.1305461      0.2736591     52.79979 18.27797 53.73190 22.34248 -0.9321098     28.86643 
1 1 1 12 7  25  o 51.88959 16.56369 0.2034860      0.1339185     0.2295404      0.1562551     0.1313942      0.2599183     54.89163 17.92482 52.86877 21.86149 2.022858       28.27055 
1 1 1 12 7  26  o 108.3323 15.63046 0.8919346      0.2270480     1.073875       0.2736329     0.4898123      0.4068016     117.8594 17.33136 75.58073 28.53264 42.27872       33.38394 
1 1 1 12 7  27  o 85.70675 16.88983 0.5729007      0.1927760     0.4951653      0.2297104     0.7580331      0.3544967     77.39433 20.97234 91.94467 26.48212 -14.55035      33.78079 
1 1 1 12 7  28  o 103.1999 15.65267 0.8134419      0.2160526     1.038185       0.2584138     0.2914879      0.3938116     116.1513 16.58293 65.68597 27.00911 50.46534       31.69362 
1 1 1 12 7  29  o 56.31068 22.67437 0.1933211      0.2707631     0.000000       0.000000      0.1933211      0.2707631     ?        ?        56.31068 22.67437 0.000000       22.67437 
1 1 1 12 7  30  o 123.9724 30.59837 1.474026       0.5206153     0.000000       0.000000      1.474026       0.5206153     ?        ?        123.9724 30.59837 0.000000       30.59837 
1 1 1 12 7  31  o 203.9270 18.52374 3.264863       0.5159147     0.000000       0.000000      3.264863       0.5159147     ?        ?        203.9270 18.52374 0.000000       18.52374 
1 1 1 12 7  32  o 149.3574 28.89321 2.058852       0.5743356     0.000000       0.000000      2.058852       0.5743356     ?        ?        149.3574 28.89321 0.000000       28.89321 
1 1 1 12 7  33  o 84.78944 20.40621 0.5963610      0.2360277     0.6847463      0.3212256     0.4926501      0.3479624     87.28613 25.22863 74.28575 26.66601 13.00038       36.70913 
1 1 1 12 7  34  o 64.77953 17.39492 0.3363658      0.1588804     0.3943371      0.1903625     0.2032708      0.2884402     69.32243 19.21861 57.12351 23.25803 12.19892       30.17103 
1 1 1 12 7  35  o 105.3790 13.86103 0.8372475      0.1967978     1.089892       0.2736588     0.5666490      0.2832155     117.8257 17.33865 80.10718 23.83791 37.71849       29.47668 
1 1 1 12 7  36  o 120.2111 13.47633 1.082634       0.2198434     1.161479       0.3062788     0.9988373      0.3157486     120.1203 19.10539 108.9971 21.74149 11.12316       28.94319 
1 1 1 12 7  37  o 98.20473 16.86056 0.7584561      0.2203993     0.9090645      0.2673012     0.4386215      0.3895283     106.0935 18.94118 70.91586 27.62238 35.17759       33.49275 
1 1 1 12 7  38  o 100.6513 13.59777 0.7642043      0.1841463     0.8660392      0.2678991     0.6729946      0.2535383     102.9316 19.56401 89.41996 20.90785 13.51161       28.63370 
1 1 1 12 7  39  o 108.3763 11.53678 0.8648794      0.1699918     0.8982627      0.2205412     0.8160131      0.2668277     108.1173 15.19176 99.30965 20.14699 8.807632       25.23273 
1 1 1 12 7  40  o 59.98334 13.02104 0.2752407      0.1047547     0.2772347      0.1369130     0.2724250      0.1626903     59.04121 16.27156 58.19980 18.21703 0.8414154      24.42588 
1 1 1 12 7  41  o 31.27340 11.27664 0.6202871E-01  0.6229648E-01 0.9935905E-01  0.8158729E-01 0.9833966E-02  0.9647281E-01 37.70645 12.96153 30.36338 12.97643 7.343071       18.34091 
1 1 1 12 7  42  o 70.36917 12.02545 0.3715486      0.1126510     0.3926472      0.1580520     0.3497632      0.1606037     70.12363 16.58334 65.75050 17.41357 4.373123       24.04661 
1 1 1 12 7  43  o 147.4980 11.19046 1.591492       0.2262160     1.591251       0.2912563     1.591858       0.3591400     144.5292 14.80312 140.5224 18.99574 4.006714       24.08258 
1 1 1 12 7  44  o 181.1119 11.08578 2.393279       0.2759025     2.771073       0.3576021     1.837635       0.4336816     192.4324 13.54449 147.7871 21.91593 44.64526       25.76357 
1 1 1 12 7  45  o 118.4039 11.60252 1.032362       0.1872578     0.9932607      0.2410076     1.091925       0.2974581     113.1948 15.85433 115.9304 19.25761 -2.735580      24.94424 
1 1 1 12 7  46  o 133.4996 13.33123 1.334838       0.2424609     1.877044       0.3528325     0.8497069      0.3337460     155.1847 16.73030 97.05110 24.80941 58.13358       29.92340 
1 1 1 12 7  47  o 137.8983 13.22768 1.421715       0.2487818     1.722029       0.3596256     1.146098       0.3445214     147.2679 18.06371 115.9988 22.31948 31.26913       28.71336 
1 1 1 12 7  48  o 75.68753 13.86545 0.4385653      0.1395691     0.5604469      0.1822050     0.2655077      0.2171134     84.39059 16.22542 58.14260 21.03856 26.24798       26.56850 
1 1 1 12 7  49  o 79.25874 13.42644 0.4775308      0.1416960     0.7464054      0.1823354     0.6758194E-01  0.2251444     99.31660 13.65707 46.31387 19.80920 53.00274       24.06076 
1 1 1 12 7  50  o 63.27001 14.84094 0.3135763      0.1274171     0.2541663      0.1630042     0.4069008      0.2042991     56.38307 18.30278 69.50112 20.12884 -13.11805      27.20592 
1 1 1 12 7  51  o 90.45190 11.65106 0.6072071      0.1421363     0.5998568      0.2028438     0.6142976      0.1992272     86.26952 17.62366 87.71288 17.06350 -1.443367      24.53073 
1 1 1 12 7  52  o 146.4618 11.36709 1.577182       0.2280846     1.684811       0.2984901     1.426155       0.3535841     148.3933 14.76323 131.2184 20.15950 17.17497       24.98717 
1 1 1 12 7  53  o 94.81399 12.64526 0.6767754      0.1614265     0.5882412      0.2115229     0.8002573      0.2498065     84.36414 18.65326 98.45892 19.06315 -14.09478      26.67110 
1 1 1 12 7  54  o 150.0749 11.39475 1.663140       0.2343668     1.623717       0.3052094     1.719789       0.3658648     144.3582 15.55730 145.1178 18.69297 -0.7595673     24.31988 
1 1 1 12 7  55  o 83.44746 13.52779 0.5361720      0.1505390     0.5590090      0.1967275     0.5039063      0.2338383     82.27051 17.83195 75.24148 21.45771 7.029030       27.90003 
1 1 1 12 7  56  o 89.56450 14.90495 0.6322564      0.1778552     0.5154666      0.2558309     0.7415016      0.2474298     74.55136 22.76352 92.88246 19.89173 -18.33110      30.23010 
1 1 1 12 7  57  o 74.02084 15.80963 0.4457280      0.1566797     0.3264035      0.2288857     0.5509447      0.2149294     60.52311 21.63766 79.30333 19.71269 -18.78022      29.27077 
1 1 1 12 7  58  o 94.64027 14.80982 0.7148202      0.1871914     0.6739166      0.2714162     0.7519268      0.2585121     83.96505 22.81521 91.12866 20.97848 -7.163612      30.99404 
1 1 1 12 7  59  o 48.18489 15.40945 0.1898580      0.1158638     0.1844595      0.1503143     0.1977612      0.1818713     47.96583 17.48253 49.72940 19.00471 -1.763569      25.82282 
1 1 1 12 7  60  o 68.22025 14.77562 0.3835106      0.1351589     0.3330939      0.1753133     0.4573872      0.2122175     60.46042 18.90825 69.27949 20.63911 -8.819069      27.99098 
1 1 1 12 7  61  o 65.34041 14.90652 0.3576092      0.1315182     0.3569223      0.1701326     0.3586293      0.2073227     62.32161 18.45997 60.58215 20.66561 1.739456       27.70989 
1 1 1 12 7  62  o 47.27840 15.35924 0.1915340      0.1147817     0.1013838      0.1425037     0.3580555      0.1936771     39.77766 16.28889 60.16278 19.97124 -20.38512      25.77166 
1 1 1 12 7  63  o 45.90228 14.91218 0.1816652      0.1081970     0.3274327      0.1329988     -0.1035935     0.1860531     60.78832 15.72581 32.66162 15.47048 28.12670       22.05985 
1 1 1 12 7  64  o 68.62164 16.56046 0.4334511      0.1551216     0.5486548      0.2073299     0.2869561      0.2337975     72.91958 19.99338 51.66425 20.97606 21.25533       28.97810 
1 1 1 12 7  65  o 35.86130 13.72827 0.9948292E-01  0.9500252E-01 0.1734699      0.1386758     0.3405087E-01  0.1304123     43.43392 16.59597 33.08205 14.59750 10.35187       22.10234 
1 1 1 12 7  66  o 37.96486 15.05393 0.1212061      0.1175035     0.1347327      0.1630329     0.1065839      0.1695062     39.99246 16.97404 38.55983 16.83869 1.432629       23.90940 
1 1 1 12 7  67  o 26.94147 11.85729 0.1717731E-01  0.8551294E-01 0.1384191E-01  0.1187625     0.2076826E-01  0.1232283     29.80390 13.48040 30.53622 13.77885 -0.7323208     19.27636 
1 1 1 12 7  68  o 30.74052 12.98457 0.6341277E-01  0.9467046E-01 0.7926269E-01  0.1319849     0.4661652E-01  0.1358680     33.59621 14.75982 31.94677 14.43691 1.649439       20.64647 
1 1 1 12 7  69  o 36.82992 14.93864 0.1478436      0.1184568     0.1511320      0.1641659     0.1442716      0.1710953     36.58271 16.24803 36.23727 16.30428 0.3454399      23.01799 
1 1 1 12 7  70  o 24.98610 11.51820 0.4900158E-02  0.9221703E-01 -0.8073311E-01 0.1258160     0.1043071      0.1355573     24.15590 11.76008 32.44259 14.56173 -8.286695      18.71746 
1 1 1 12 7  71  o 26.34106 11.86787 0.4327125E-01  0.9101520E-01 0.1546059      0.1221229     -0.9582923E-01 0.1365043     33.87971 14.54268 23.60769 11.64530 10.27202       18.63069 
1 1 1 12 7  72  o 23.32663 11.24699 -0.1504768E-01 0.1081494     -0.9400732E-01 0.1681069     0.4070907E-01  0.1412640     24.12685 12.06789 26.60506 12.83436 -2.478209      17.61689 
1 1 1 12 7  73  o 25.22186 12.10536 0.5952968E-01  0.1220042     -0.4001301E-01 0.1932041     0.1255506      0.1573449     24.20005 12.21395 27.37952 13.28835 -3.179468      18.04885 
1 1 1 12 7  74  o 21.28747 10.43592 0.5396881E-02  0.1042347     0.5547406E-01  0.1296720     -0.8604620E-01 0.1752272     23.27703 11.45658 21.43051 10.90217 1.846521       15.81488 
1 1 1 12 7  75  o 13.68779 6.900391 -0.1049103     0.6068902E-01 -0.1820935     0.7622863E-01 0.2870111E-01  0.1002948     13.66355 6.972766 20.25161 9.988338 -6.588057      12.18139 
1 1 1 12 7  76  o 20.98136 10.38395 0.1332106      0.1117292     0.8471970E-01  0.1533809     0.1880300      0.1630829     19.38272 9.891315 20.60288 10.48468 -1.220156      14.41411 
1 1 1 12 7  77  o 17.16222 8.721326 0.4975477E-01  0.1099391     0.2073028      0.1559633     -0.1058447     0.1549958     18.63548 9.546222 15.87894 8.196639 2.756541       12.58234 
1 1 1 12 7  78  o 14.11650 7.219612 -0.2446770E-01 0.8581346E-01 -0.1442659     0.1259459     0.7933851E-01  0.1172385     13.70166 7.084344 15.62049 8.020006 -1.918825      10.70086 
1 1 1 12 7  79  o 13.96401 7.199407 0.6829674E-01  0.1129502     -0.2951967E-01 0.2313152     0.9892122E-01  0.1294293     13.49596 7.025616 14.09362 7.282562 -0.5976524     10.11904 
1 1 1 12 7  80  o 10.49383 5.438681 -0.1848707     0.8123325E-01 -0.1868417     0.1712803     -0.1842988     0.9227078E-01 11.93555 6.212154 10.85709 5.631393 1.078458       8.384715 
1 1 1 12 7  81  f 11.86393 6.158748 0.1006671      0.1181000     0.8783086E-01  0.1627494     0.1149445      0.1716424     11.64059 6.058615 11.68693 6.083677 -0.4634285E-01 8.585916 
1 1 1 12 7  82  o 10.42442 5.417391 0.2809139E-01  0.1023287     -0.5059103E-01 0.1396019     0.1194577      0.1504337     10.20811 5.314786 10.60026 5.518932 -0.3921528     7.661956 
1 1 1 12 7  83  o 9.788112 5.095634 0.2421858      0.1228834     0.2966770      0.1830508     0.1974841      0.1657945     9.529014 4.961797 9.462253 4.927847 0.6676102E-01  6.993076 
1 1 1 12 7  84  o 8.434384 4.392477 0.1396331      0.1106756     0.1140198      0.1664832     0.1599169      0.1481532     8.264750 4.301013 8.340375 4.342134 -0.7562542E-01 6.111697 
1 1 1 12 7  85  o 7.047465 3.670322 -0.3980310E-01 0.8762065E-01 -0.1557663     0.1282275     0.6177150E-01  0.1200090     6.993448 3.638165 7.206955 3.751157 -0.2135072     5.225650 
1 1 1 12 7  86  o 6.261529 3.257215 0.6790029E-01  0.1029671     0.1316206      0.1533868     0.1563237E-01  0.1389206     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  87  o ?        ?        0.9994159E-01  0.1063855     0.9851727E-01  0.1548257     0.1012156      0.1464287     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  88  o ?        ?        0.2048416      0.1429973     0.2624398      0.1846481     0.1185363      0.2260264     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  89  o ?        ?        0.3236571E-01  0.1087127     0.1055903      0.1333615     -0.1126691     0.1876888     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  90  o ?        ?        -0.1168324     0.5769680E-01 -0.3912168E-01 0.7679398E-01 -0.2175540     0.8742750E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  91  o ?        ?        -0.6725498E-01 0.7379396E-01 -0.1128367     0.9856973E-01 -0.9130525E-02 0.1113084     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 7  92  o ?        ?        -0.6481886E-02 0.1067335     0.1171205      0.1637933     -0.9770141E-01 0.1407106     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  0   o 38.92808 22.69805 0.1511535      0.2021607     0.000000       0.000000      0.1511535      0.2021607     38.92808 22.69805 38.92808 22.69805 0.000000       0.000000 
1 1 1 12 8  1   o 114.3697 19.49601 1.045747       0.2968481     0.9253384      0.4212601     1.164508       0.4183681     99.07690 28.96471 113.8782 27.01394 -14.80126      39.60691 
1 1 1 12 8  2   f 61.75597 22.77863 0.2923526      0.2562723     0.000000       0.000000      0.2923526      0.2562723     ?        ?        61.75597 22.77863 0.000000       22.77863 
1 1 1 12 8  3   o 88.67598 26.71901 0.7137113      0.3541782     0.000000       0.000000      0.7137113      0.3541782     ?        ?        88.67598 26.71901 0.000000       26.71901 
1 1 1 12 8  4   f 115.6785 28.30312 1.229730       0.4483879     0.000000       0.000000      1.229730       0.4483879     ?        ?        115.6785 28.30312 0.000000       28.30312 
1 1 1 12 8  5   o 83.16713 19.78909 0.5641057      0.2239617     0.5254445      0.3150600     0.6035975      0.3184260     77.28904 25.46315 82.46732 25.43261 -5.178276      35.98874 
1 1 1 12 8  6   o 88.63651 26.71431 0.7143762      0.3540186     0.000000       0.000000      0.7143762      0.3540186     ?        ?        88.63651 26.71431 0.000000       26.71431 
1 1 1 12 8  7   o 108.9002 28.02436 1.092440       0.4238659     0.000000       0.000000      1.092440       0.4238659     ?        ?        108.9002 28.02436 0.000000       28.02436 
1 1 1 12 8  8   o 84.60021 26.33274 0.6471190      0.3404729     0.000000       0.000000      0.6471190      0.3404729     ?        ?        84.60021 26.33274 0.000000       26.33274 
1 1 1 12 8  9   f 136.3507 28.57183 1.702004       0.5207250     0.000000       0.000000      1.702004       0.5207250     ?        ?        136.3507 28.57183 0.000000       28.57183 
1 1 1 12 8  10  o 97.91487 20.24648 0.7826521      0.2646993     1.216946       0.3829558     0.3853503      0.3662833     119.1516 24.10401 69.03489 26.81450 50.11675       36.05580 
1 1 1 12 8  11  o 60.02857 22.28583 0.2728306      0.2460954     0.000000       0.000000      0.2728306      0.2460954     ?        ?        60.02857 22.28583 0.000000       22.28583 
1 1 1 12 8  12  o 46.50589 19.04167 0.1010062      0.1947080     0.000000       0.000000      0.1010062      0.1947080     ?        ?        46.50589 19.04167 0.000000       19.04167 
1 1 1 12 8  13  o 106.4070 19.78991 0.9165146      0.2800696     0.7541549      0.3955803     1.079694       0.3965780     89.16991 28.46823 109.4364 26.52137 -20.26649      38.90788 
1 1 1 12 8  14  o 130.9745 18.64349 1.359133       0.3276552     1.584370       0.4603003     1.127778       0.4665111     134.2542 25.76692 107.6488 30.17210 26.60540       39.67732 
1 1 1 12 8  15  o 115.5973 19.90081 1.081766       0.3061955     1.879583       0.4416640     0.3434483      0.4248756     150.8177 21.84410 67.94678 28.00992 82.87090       35.52070 
1 1 1 12 8  16  o 60.29803 22.59741 0.2767413      0.2541959     0.000000       0.000000      0.2767413      0.2541959     ?        ?        60.29803 22.59741 0.000000       22.59741 
1 1 1 12 8  17  o 74.59614 25.09685 0.4920882      0.3057244     0.000000       0.000000      0.4920882      0.3057244     ?        ?        74.59614 25.09685 0.000000       25.09685 
1 1 1 12 8  18  o 12.20862 6.169249 -0.1667801     0.5018168E-01 0.000000       0.000000      -0.1667801     0.5018168E-01 ?        ?        12.20862 6.169249 0.000000       6.169249 
1 1 1 12 8  19  o 49.68999 18.17803 0.1745659      0.1627277     0.1699206      0.2354377     0.1788149      0.2251690     52.87924 21.19603 52.91992 20.88490 -0.4067612E-01 29.75653 
1 1 1 12 8  20  o 42.45869 17.06084 0.8997136E-01  0.1529430     0.1451281      0.2257545     0.4317994E-01  0.2079314     50.87647 20.62749 44.03790 18.94157 6.838570       28.00494 
1 1 1 12 8  21  o 63.02922 23.97907 0.3125993      0.2887233     0.3125993      0.2887233     0.000000       0.000000      63.02922 23.97907 ?        ?        0.000000       23.97907 
1 1 1 12 8  22  o 107.4714 29.49537 1.126331       0.4509747     1.126331       0.4509747     0.000000       0.000000      107.4714 29.49537 ?        ?        0.000000       29.49537 
1 1 1 12 8  23  o 150.8158 29.66778 2.160475       0.5958207     2.160475       0.5958207     0.000000       0.000000      150.8158 29.66778 ?        ?        0.000000       29.66778 
1 1 1 12 8  24  o 81.07919 27.40836 0.6219841      0.3646515     0.6219841      0.3646515     0.000000       0.000000      81.07919 27.40836 ?        ?        0.000000       27.40836 
1 1 1 12 8  25  o 61.25236 17.39096 0.3016408      0.1539533     0.3495157      0.1878619     0.2037404      0.2686441     65.09828 19.42442 56.04712 22.57941 9.051159       29.78486 
1 1 1 12 8  26  o 21.27321 9.425242 -0.1508686E-01 0.5491374E-01 0.2359968E-01  0.6036035E-01 -0.2008948     0.1322830     26.22338 10.65398 25.13735 12.19647 1.086037       16.19448 
1 1 1 12 8  27  o 63.61767 17.24998 0.3259316      0.1553470     0.3236790      0.1894419     0.3305559      0.2714296     62.71601 19.66222 63.52528 23.44032 -0.8092690     30.59496 
1 1 1 12 8  28  o 27.04091 11.67152 -0.3318791E-03 0.7950483E-01 -0.1751300E-01 0.9354629E-01 0.4436237E-01  0.1508783     27.93648 12.34328 39.01141 16.43041 -11.07493      20.55030 
1 1 1 12 8  29  o 68.68636 17.28746 0.3804343      0.1638378     0.3985454      0.1999481     0.3434261      0.2858202     69.04382 19.88937 64.44144 23.99882 4.602371       31.16938 
1 1 1 12 8  30  f 131.7371 15.43054 1.333570       0.2753728     1.750378       0.3382267     0.5140455      0.4742642     149.9231 16.61761 74.32118 29.97995 75.60196       34.27744 
1 1 1 12 8  31  o 91.04510 14.71470 0.6371369      0.1786791     0.5993968      0.2468564     0.6786683      0.2589586     83.79890 21.29094 89.33054 21.29478 -5.531647      30.11266 
1 1 1 12 8  32  f 64.72123 15.87566 0.3319639      0.1408036     0.2267906      0.1955680     0.4451559      0.2028863     54.73003 19.94229 73.01495 19.67815 -18.28492      28.01651 
1 1 1 12 8  33  o 61.08665 15.80607 0.2956753      0.1343427     0.2893829      0.1870519     0.3023791      0.1930694     59.67535 19.61794 60.78479 19.92850 -1.109447      27.96442 
1 1 1 12 8  34  o 79.36479 15.29183 0.4906485      0.1615035     0.4293438      0.2248459     0.5559890      0.2321290     70.90991 21.27151 81.08324 20.67063 -10.17332      29.66061 
1 1 1 12 8  35  o 74.25198 15.65109 0.4329020      0.1554105     0.3060079      0.2158344     0.5695282      0.2239581     61.17219 21.07861 82.68438 19.86399 -21.51219      28.96353 
1 1 1 12 8  36  o 94.91349 14.43466 0.6885766      0.1832170     0.8504966      0.2578337     0.5234154      0.2604015     102.3717 18.93737 77.24895 22.82692 25.12277       29.65961 
1 1 1 12 8  37  o 105.9043 14.07087 0.8507164      0.2006717     0.9487132      0.2826369     0.7511001      0.2849626     107.5735 19.75569 93.25436 22.40874 14.31911       29.87371 
1 1 1 12 8  38  o 81.52602 15.51428 0.5183980      0.1682682     0.3833863      0.2349984     0.6604544      0.2410514     67.10362 21.98554 89.08630 20.07652 -21.98268      29.77298 
1 1 1 12 8  39  o 86.85268 15.12860 0.5838900      0.1748411     0.6256300      0.2452729     0.5407674      0.2493015     86.01556 20.86447 79.02570 22.02371 6.989861       30.33760 
1 1 1 12 8  40  o 53.45279 17.35673 0.2240643      0.1465847     0.3850043      0.1759246     -0.1413949     0.2651027     68.58383 18.25450 41.08066 19.13994 27.50317       26.44927 
1 1 1 12 8  41  o 63.80776 18.46796 0.3339248      0.1720256     0.3246672      0.2083243     0.3537677      0.3049969     62.51452 20.71078 65.10762 24.67524 -2.593102      32.21497 
1 1 1 12 8  42  o 58.92716 18.01073 0.2813956      0.1601032     0.3134275      0.1943463     0.2137473      0.2824311     61.55817 19.98519 56.73700 23.04782 4.821171       30.50590 
1 1 1 12 8  43  o 43.53476 16.18929 0.1269201      0.1299742     0.1183041      0.1571831     0.1455491      0.2311252     44.53786 17.48994 50.65197 20.74347 -6.114117      27.13282 
1 1 1 12 8  44  o 101.4489 14.27775 0.7887981      0.1944730     1.235365       0.2860152     0.4048252      0.2652139     124.8676 17.03260 67.73586 23.36430 57.13170       28.91367 
1 1 1 12 8  45  o 99.87988 12.15265 0.7461363      0.1641508     0.7102538      0.2126897     0.7989956      0.2581462     94.16254 16.98280 97.64778 19.82248 -3.485237      26.10262 
1 1 1 12 8  46  o 101.9980 10.95061 0.7684560      0.1518157     0.7964680      0.2160550     0.7411361      0.2133698     100.2578 16.15560 96.27654 16.65265 3.981285       23.20160 
1 1 1 12 8  47  o 47.32811 14.35166 0.1749625      0.1019463     0.1929694      0.1334760     0.1497502      0.1579395     49.58939 16.58322 46.54662 17.72881 3.042767       24.27579 
1 1 1 12 8  48  o 70.51155 13.42764 0.3863344      0.1259620     0.2425878      0.1626586     0.6016740      0.1990859     54.38262 18.30592 85.46474 17.45999 -31.08212      25.29739 
1 1 1 12 8  49  o 41.93530 13.99307 0.1332267      0.9503604E-01 0.1722064      0.1216416     0.7215661E-01  0.1522570     46.90402 15.83028 40.11185 16.67108 6.792164       22.98962 
1 1 1 12 8  50  o 76.85918 15.07306 0.4755336      0.1542525     0.4275605      0.2137713     0.5276449      0.2228007     68.48580 20.78547 76.38086 20.63645 -7.895058      29.28991 
1 1 1 12 8  51  o 56.25217 17.26283 0.2703113      0.1469126     0.1991527      0.1851500     0.3912703      0.2413954     50.12107 19.17029 63.94493 22.27714 -13.82386      29.38998 
1 1 1 12 8  52  o 33.83450 13.88346 0.5217180E-01  0.1037873     -0.5350492E-01 0.1312196     0.2287453      0.1696180     30.17056 13.84575 51.79382 18.61507 -21.62326      23.19970 
1 1 1 12 8  53  o 40.71983 14.64300 0.1259006      0.1049684     0.8410941E-01  0.1221820     0.2436651      0.2051031     37.82614 15.23146 52.64801 20.16732 -14.82187      25.27287 
1 1 1 12 8  54  o 97.51609 14.13757 0.7718832      0.1848147     0.6119049      0.2133250     1.253273       0.3700493     81.44523 19.26961 108.5171 25.18190 -27.07188      31.70877 
1 1 1 12 8  55  o 35.18908 13.53247 0.8356594E-01  0.9257337E-01 0.4500580E-01  0.1131475     0.1616406      0.1610018     33.53683 14.18209 44.93417 17.68338 -11.39733      22.66789 
1 1 1 12 8  56  o 44.96128 15.59217 0.1737096      0.1181912     0.1776835      0.1548468     0.1681630      0.1829387     45.54137 17.50467 45.41262 18.50984 0.1287537      25.47602 
1 1 1 12 8  57  o 32.18178 12.85249 0.6316875E-01  0.8621740E-01 0.1054354      0.1241748     0.2382625E-01  0.1198024     38.31959 15.38155 32.12841 14.08981 6.191174       20.85941 
1 1 1 12 8  58  o 55.27270 15.28141 0.2791697      0.1205343     0.3511672      0.1797539     0.2203483      0.1624752     57.46600 19.24436 47.40098 17.99891 10.06502       26.34969 
1 1 1 12 8  59  o 48.13799 14.35155 0.2121940      0.1025832     0.2462649      0.1392707     0.1717861      0.1516704     49.39359 16.93714 42.73903 17.05373 6.654556       24.03531 
1 1 1 12 8  60  o 47.90046 14.20633 0.2147443      0.1007128     0.2568685      0.1359323     0.1634792      0.1499572     49.62284 16.73441 41.20880 16.77311 8.414043       23.69341 
1 1 1 12 8  61  o 33.08168 12.90839 0.8935530E-01  0.8518250E-01 0.1286139      0.1123284     0.3622516E-01  0.1306749     37.28419 14.73936 31.59850 14.23001 5.685688       20.48760 
1 1 1 12 8  62  o 33.03692 13.33187 0.9388006E-01  0.9382703E-01 0.9021002E-02  0.1184563     0.2367653      0.1537102     28.57592 13.12915 43.60192 17.24031 -15.02600      21.67032 
1 1 1 12 8  63  o 33.01090 13.45164 0.1029025      0.9658600E-01 0.7286067E-01  0.1224914     0.1522841      0.1570455     31.45334 13.99911 36.39693 16.04165 -4.943588      21.29107 
1 1 1 12 8  64  o 22.63804 10.40136 -0.3883736E-02 0.7435587E-01 0.8419908E-01  0.9771460E-01 -0.1250457     0.1146033     30.40469 13.02857 21.71824 10.70502 8.686451       16.86241 
1 1 1 12 8  65  o 27.57608 12.16351 0.6224217E-01  0.9046653E-01 0.2756234E-01  0.1158117     0.1165302      0.1448992     26.63261 12.48708 31.30904 14.43478 -4.676430      19.08639 
1 1 1 12 8  66  o 32.76347 14.19068 0.1656123      0.1183517     0.1447644      0.1669215     0.1866880      0.1678313     30.29598 14.43646 31.76547 14.93791 -1.469496      20.77384 
1 1 1 12 8  67  o 31.76513 14.12198 0.1920422      0.1243049     0.1734194      0.1754482     0.2108126      0.1761412     28.83942 14.00498 29.90225 14.40122 -1.062832      20.08817 
1 1 1 12 8  68  o 29.21032 13.39949 0.1943602      0.1227216     0.1780427      0.1439738     0.2377191      0.2346906     27.30832 13.11829 26.29087 13.29191 1.017452       18.67524 
1 1 1 12 8  69  o 26.79556 12.68219 0.2119085      0.1245575     0.1893022      0.1455305     0.2738243      0.2408465     24.82373 12.20204 23.82277 12.17648 1.000965       17.23823 
1 1 1 12 8  70  o 16.07513 8.060247 -0.5393297E-01 0.7717161E-01 -0.7330316E-01 0.9163027E-01 -0.6667534E-02 0.1431344     16.43223 8.307395 18.96630 9.667666 -2.534075      12.74663 
1 1 1 12 8  71  o 20.80556 10.28436 0.1761889      0.1083957     0.1790680      0.1395637     0.1718117      0.1720836     19.55363 9.925294 18.83929 9.675085 0.7143326      13.86069 
1 1 1 12 8  72  o 17.73025 8.952418 0.1358281      0.1044569     0.2130336      0.1337744     0.1521412E-01  0.1672044     17.97497 9.178305 15.85979 8.198097 2.115182       12.30651 
1 1 1 12 8  73  o 14.61164 7.453251 0.3984346E-01  0.8631583E-01 0.4085422E-01  0.1092481     0.3816428E-01  0.1408110     14.56709 7.488564 14.50918 7.500718 0.5790997E-01  10.59903 
1 1 1 12 8  74  o 12.81330 6.591478 -0.4290725E-04 0.8678987E-01 0.5242176E-02  0.1236311     -0.5178215E-02 0.1218667     12.99562 6.734525 12.92646 6.698297 0.6916142E-01  9.498473 
1 1 1 12 8  75  o 12.85617 6.663548 0.1451945      0.1226849     0.2473537      0.2374663     0.1079980      0.1432896     12.49981 6.509400 12.50883 6.499032 -0.9016037E-02 9.198354 
1 1 1 12 8  76  o 11.17283 5.802877 0.1863792E-01  0.1101078     0.8279198E-01  0.1956653     -0.1109259E-01 0.1331996     11.27990 5.874394 11.07379 5.760593 0.2061071      8.227572 
1 1 1 12 8  77  o 7.023837 3.630111 -0.1198760     0.3249072E-01 0.3732543E-01  0.4302674E-01 -0.3284457     0.4956052E-01 10.71567 5.446450 ?        ?        0.000000       5.446450 
1 1 1 12 8  78  o 9.302548 4.841969 0.7471672E-01  0.1058032     0.5937650E-01  0.1453969     0.9198238E-01  0.1542521     9.189859 4.786031 9.228584 4.806151 -0.3872490E-01 6.782712 
1 1 1 12 8  79  f 8.199371 4.269579 0.4265360E-01  0.9686739E-01 0.2016892      0.1336215     -0.1335011     0.1406294     8.382487 4.365171 7.954918 4.141184 0.4275689      6.016987 
1 1 1 12 8  80  o 7.281437 3.791791 0.7476822E-01  0.9720134E-01 0.1140853      0.1325220     0.2898652E-01  0.1430024     7.266685 3.780961 7.184794 3.736621 0.8189106E-01  5.315826 
1 1 1 12 8  81  o 6.348249 3.300971 0.1085146      0.1139668     0.1316142      0.1539550     0.8051047E-01  0.1695129     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  82  o ?        ?        0.1614033      0.1476433     0.1199210      0.1706678     0.2847844      0.2943369     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  83  o ?        ?        -0.7373641E-01 0.8633175E-01 -0.8318773E-01 0.9413861E-01 -0.2373857E-01 0.2165197     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  84  o ?        ?        0.8920413E-02  0.1034459     0.5222929E-01  0.1389962     -0.4485106E-01 0.1548782     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  85  o ?        ?        0.1237979      0.1128249     0.8236226E-01  0.1522209     0.1743117      0.1680708     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  86  o ?        ?        0.1102278E-01  0.9332645E-01 -0.5717888E-01 0.1233430     0.1023596      0.1427381     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  87  o ?        ?        -0.2511409E-01 0.9620312E-01 -0.9480308E-02 0.1626601     -0.3352477E-01 0.1193067     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 8  88  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  7   o 51.91119 20.20931 0.1801257      0.2084224     0.000000       0.000000      0.1801257      0.2084224     ?        ?        51.91119 20.20931 0.000000       20.20931 
1 1 1 12 9  8   f 31.69423 14.07983 -0.2360894E-01 0.1233389     0.000000       0.000000      -0.2360894E-01 0.1233389     ?        ?        31.69423 14.07983 0.000000       14.07983 
1 1 1 12 9  9   o 62.69179 22.84062 0.3217645      0.2565338     0.000000       0.000000      0.3217645      0.2565338     ?        ?        62.69179 22.84062 0.000000       22.84062 
1 1 1 12 9  10  o 54.88646 21.14836 0.2142674      0.2264215     0.000000       0.000000      0.2142674      0.2264215     ?        ?        54.88646 21.14836 0.000000       21.14836 
1 1 1 12 9  11  o 89.63762 27.01218 0.7634030      0.3619764     0.000000       0.000000      0.7634030      0.3619764     ?        ?        89.63762 27.01218 0.000000       27.01218 
1 1 1 12 9  12  o 70.05007 24.42489 0.4319106      0.2902151     0.000000       0.000000      0.4319106      0.2902151     ?        ?        70.05007 24.42489 0.000000       24.42489 
1 1 1 12 9  13  o 27.49017 12.70519 -0.7490140E-01 0.1132786     0.000000       0.000000      -0.7490140E-01 0.1132786     ?        ?        27.49017 12.70519 0.000000       12.70519 
1 1 1 12 9  14  o 24.43076 11.26817 -0.5942676E-01 0.8843135E-01 -0.6576753E-01 0.1550157     -0.5636778E-01 0.1076697     33.35597 15.20967 27.64614 12.63316 5.709829       19.77197 
1 1 1 12 9  15  o 53.09873 20.67981 0.1914731      0.2183067     0.000000       0.000000      0.1914731      0.2183067     ?        ?        53.09873 20.67981 0.000000       20.67981 
1 1 1 12 9  16  f 40.80386 16.05512 0.9140581E-01  0.1326955     0.1732701      0.1928591     0.1781064E-01  0.1828595     50.72938 19.52612 40.41584 17.57202 10.31353       26.26871 
1 1 1 12 9  17  o 58.60798 21.99840 0.2638137      0.2410816     0.000000       0.000000      0.2638137      0.2410816     ?        ?        58.60798 21.99840 0.000000       21.99840 
1 1 1 12 9  18  o 73.46237 24.93164 0.4847552      0.3017383     0.000000       0.000000      0.4847552      0.3017383     ?        ?        73.46237 24.93164 0.000000       24.93164 
1 1 1 12 9  19  o 87.75672 26.83548 0.7280212      0.3553816     0.000000       0.000000      0.7280212      0.3553816     ?        ?        87.75672 26.83548 0.000000       26.83548 
1 1 1 12 9  20  o 76.61789 21.59485 0.5039850      0.2382812     0.9465510      0.3606193     0.1610272      0.3174537     101.8864 25.65004 55.95801 23.71440 45.92841       34.93276 
1 1 1 12 9  21  o 34.62459 15.10030 -0.5263078E-03 0.1359140     0.1848139      0.2274510     -0.1034602     0.1695048     53.11825 20.98179 33.38543 15.46913 19.73282       26.06779 
1 1 1 12 9  22  o 61.12944 17.61070 0.3015416      0.1567527     0.4205671      0.1986360     0.1050585      0.2552118     71.07934 19.60313 50.18691 21.26546 20.89243       28.92235 
1 1 1 12 9  23  o 72.99689 17.46156 0.4295989      0.1736400     0.5457496      0.2166695     0.2210800      0.2903085     81.13409 19.56699 57.69840 23.39216 23.43570       30.49689 
1 1 1 12 9  24  o 67.93116 21.13469 0.3908670      0.2193501     0.5944831      0.3356378     0.2390674      0.2898011     79.83201 26.28061 58.60385 23.50716 21.22816       35.25985 
1 1 1 12 9  25  o 51.89635 19.34698 0.1934538      0.1858496     0.3521087      0.2921097     0.8555520E-01  0.2408946     65.02962 24.25283 48.30653 20.57147 16.72310       31.80229 
1 1 1 12 9  26  o 76.00133 22.10308 0.5013292      0.2458823     0.8509567      0.3713399     0.2283550      0.3281176     94.72124 27.04974 59.30355 24.54578 35.41769       36.52648 
1 1 1 12 9  27  o 65.03357 20.75048 0.3551386      0.2101930     0.3556750      0.3068423     0.3546643      0.2885186     65.30094 24.74947 65.04115 24.13362 0.2597961      34.56831 
1 1 1 12 9  28  f 56.58808 20.19633 0.2509443      0.1993273     0.3027907      0.3017791     0.2108204      0.2654797     62.16973 24.28585 56.03015 22.49054 6.139576       33.10025 
1 1 1 12 9  29  o 30.38179 13.11588 0.3321709E-02  0.1004366     -0.9764279E-01 0.1233890     0.2015735      0.1729022     27.80430 12.98894 51.93620 18.77748 -24.13190      22.83213 
1 1 1 12 9  30  o 47.54895 16.52899 0.1679047      0.1328585     0.2201351      0.1630741     0.6480007E-01  0.2291196     53.20283 18.32265 46.29132 19.89623 6.911514       27.04773 
1 1 1 12 9  31  o 57.57455 17.69829 0.2681257      0.1543441     0.3245141      0.1911540     0.1625024      0.2616185     62.38187 19.77614 53.01580 21.92844 9.366077       29.52884 
1 1 1 12 9  32  o 38.35652 14.98279 0.8223167E-01  0.1148555     0.1340254      0.1427197     -0.1296681E-01 0.1934908     44.81738 16.90477 39.58814 17.60856 5.229237       24.40968 
1 1 1 12 9  33  o 44.80246 16.01503 0.1444207      0.1253830     0.1822660      0.1553872     0.7379585E-01  0.2122696     49.45200 17.81246 45.34469 19.31040 4.107307       26.27119 
1 1 1 12 9  34  o 73.86951 15.56437 0.4333594      0.1537483     0.4783854      0.2161262     0.3872279      0.2187635     74.46724 20.41120 66.74145 21.15597 7.725792       29.39714 
1 1 1 12 9  35  o 46.04780 15.64711 0.1606967      0.1188508     0.8620114E-01  0.1665148     0.2380612      0.1696910     42.58344 17.54242 54.38235 18.69287 -11.79892      25.63513 
1 1 1 12 9  36  o 66.48715 16.14305 0.3585010      0.1467196     0.6187957      0.2070733     0.9608626E-01  0.2079149     86.60342 17.90748 45.87281 19.30217 40.73061       26.32967 
1 1 1 12 9  37  f 53.51701 16.10038 0.2318946      0.1286766     0.2287078      0.1767155     0.2354913      0.1877365     53.34755 19.01881 54.06976 19.56372 -0.7222061     27.28469 
1 1 1 12 9  38  o 38.72655 15.49738 0.8151751E-01  0.1256303     0.9014092E-01  0.1529762     0.6365328E-01  0.2201794     41.45724 16.91523 44.55365 19.32637 -3.096409      25.68333 
1 1 1 12 9  39  o 54.01056 17.64133 0.2428338      0.1513484     0.2905428      0.1841075     0.1433880      0.2658063     58.02472 19.47579 50.55074 21.57005 7.473984       29.06155 
1 1 1 12 9  40  o 45.40949 16.74782 0.1549052      0.1385303     0.1683753E-01  0.1676837     0.4517075      0.2458548     37.82258 16.62611 68.76923 22.48553 -30.94664      27.96474 
1 1 1 12 9  41  o 48.94931 17.24682 0.1949252      0.1449109     0.2320615      0.1762236     0.1173732      0.2546606     52.46978 18.95903 48.04790 20.81336 4.421875       28.15388 
1 1 1 12 9  42  o 40.80998 16.93783 0.8808590E-01  0.1568583     0.1209648      0.2200493     0.5412013E-01  0.2236568     46.27367 19.68246 43.22844 19.09345 3.045235       27.42187 
1 1 1 12 9  43  o 46.39989 18.35398 0.1612145      0.1742747     0.1428117      0.2472876     0.1793734      0.2456438     48.08664 20.66900 49.83186 20.97494 -1.745216      29.44751 
1 1 1 12 9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  45  o 44.22197 19.16382 0.1086411      0.2160700     0.1086411      0.2160700     0.000000       0.000000      44.22197 19.16382 ?        ?        0.000000       19.16382 
1 1 1 12 9  46  o 42.36025 18.25829 0.1011879      0.1940167     0.1011879      0.1940167     0.000000       0.000000      42.36025 18.25829 ?        ?        0.000000       18.25829 
1 1 1 12 9  47  o 44.26577 17.49632 0.1602019      0.1582546     0.1520822      0.2127305     0.1702641      0.2368131     45.27905 19.30807 46.83736 20.17994 -1.558311      27.92904 
1 1 1 12 9  48  o 16.93059 8.260255 -0.1026955     0.6302992E-01 -0.9370536E-01 0.7502095E-01 -0.1242713     0.1162202     19.55842 9.414231 24.44202 11.75295 -4.883595      15.05854 
1 1 1 12 9  49  o 32.11329 13.51830 0.4943110E-01  0.1020516     0.9297417E-01  0.1221994     -0.5093723E-01 0.1855273     36.91290 15.09615 33.75668 15.82012 3.156223       21.86709 
1 1 1 12 9  50  o 29.04925 12.18424 0.3830800E-01  0.8241739E-01 -0.1113724     0.1256140     0.1514499      0.1092113     25.65408 12.30493 41.31047 14.92538 -15.65640      19.34369 
1 1 1 12 9  51  o 32.86256 12.95277 0.7841371E-01  0.8650751E-01 0.3911590E-01  0.1080054     0.1487422      0.1444864     31.12086 13.51769 40.63318 16.49249 -9.512321      21.32440 
1 1 1 12 9  52  o 38.63509 13.93143 0.1357013      0.9508204E-01 0.2138954      0.1194500     0.4751520E-03  0.1570830     46.07196 15.68635 32.14878 14.89451 13.92318       21.63118 
1 1 1 12 9  53  o 37.16407 13.89741 0.1283633      0.9604114E-01 0.5969522E-01  0.1204614     0.2481631      0.1591104     32.26539 14.13972 45.68059 17.69258 -13.41520      22.64861 
1 1 1 12 9  54  o 36.78651 13.96120 0.1327740      0.9772357E-01 0.1459585      0.1221806     0.1093627      0.1628107     37.60870 15.20059 35.60872 15.97237 1.999985       22.04937 
1 1 1 12 9  55  o 23.49871 10.66533 -0.6639570E-03 0.7510655E-01 -0.1469768E-01 0.9147379E-01 0.2837157E-01  0.1315755     24.41420 11.33048 29.61633 13.68962 -5.202133      17.77035 
1 1 1 12 9  56  o 41.44293 14.83517 0.2056582      0.1076252     0.2746463      0.1346827     0.8377377E-01  0.1790188     44.88528 16.51979 32.34399 15.27631 12.54129       22.50043 
1 1 1 12 9  57  o 36.17956 14.22994 0.1643494      0.1042015     0.1864250      0.1267666     0.1183585      0.1829718     36.49928 15.19417 32.04490 15.22564 4.454380       21.51006 
1 1 1 12 9  58  o 24.81102 11.73050 0.1066721E-01  0.1060518     -0.4100635E-01 0.1241051     0.1505371      0.2041821     23.89418 11.64298 31.15198 15.12347 -7.257807      19.08607 
1 1 1 12 9  59  o 21.71082 10.27582 -0.4909282E-02 0.8178196E-01 -0.6028812E-01 0.1118194     0.5878314E-01  0.1199193     21.72591 10.68263 26.37879 12.47240 -4.652882      16.42192 
1 1 1 12 9  60  o 23.49550 11.11048 0.3796250E-01  0.9521237E-01 -0.7628637E-03 0.1318946     0.8010261E-01  0.1375869     23.22969 11.45662 25.68910 12.45830 -2.459414      16.92523 
1 1 1 12 9  61  o 23.73475 11.20157 0.7063194E-01  0.9592260E-01 0.3045847E-01  0.1100887     0.1972923      0.1954760     22.28509 10.88236 25.81994 12.92919 -3.534859      16.89940 
1 1 1 12 9  62  o 15.90614 7.906461 -0.6071174E-01 0.6750774E-01 -0.5919729E-01 0.7676954E-01 -0.6587672E-01 0.1417738     16.74471 8.340803 19.54011 9.927099 -2.795393      12.96597 
1 1 1 12 9  63  o 18.25275 9.031023 0.8811295E-02  0.8429525E-01 0.3628702E-01  0.9699728E-01 -0.7597043E-01 0.1703869     19.30663 9.576292 18.53148 9.522125 0.7751484      13.50467 
1 1 1 12 9  64  o 17.94831 8.906878 0.4678009E-01  0.8431038E-01 0.5467376E-01  0.1058311     0.3306790E-01  0.1394850     18.07760 9.113270 17.73774 9.081809 0.3398647      12.86588 
1 1 1 12 9  65  o 15.03463 7.599710 -0.1037204E-01 0.7651428E-01 -0.7920752E-01 0.9517050E-01 0.1154457      0.1286670     14.37332 7.369266 17.16926 8.785574 -2.795942      11.46701 
1 1 1 12 9  66  o 14.36100 7.308581 0.3463356E-02  0.7931451E-01 -0.7342383E-01 0.9931020E-01 0.1388829      0.1317976     13.64222 7.019718 15.89267 8.172894 -2.250452      10.77370 
1 1 1 12 9  67  o 13.46088 6.892213 0.1830902E-01  0.8038379E-01 0.9429219E-02  0.9996284E-01 0.3455853E-01  0.1352251     13.41895 6.911496 13.64727 7.071249 -0.2283211     9.887938 
1 1 1 12 9  68  o 15.00579 7.712567 0.3021643      0.1151643     0.3656625      0.1560503     0.2262177      0.1706625     14.12794 7.327819 13.34070 6.933953 0.7872372      10.08844 
1 1 1 12 9  69  o 11.80377 6.099744 0.2904801E-01  0.9114158E-01 0.2563973E-01  0.1326028     0.3209995E-01  0.1254793     11.75231 6.108424 11.78290 6.121133 -0.3059101E-01 8.647608 
1 1 1 12 9  70  o 11.20844 5.817500 0.9708609E-01  0.1039404     0.1228271      0.1507364     0.7375170E-01  0.1435169     11.05045 5.751655 10.93958 5.693727 0.1108732      8.093211 
1 1 1 12 9  71  o 9.285403 4.818890 -0.6574374E-01 0.7071421E-01 -0.2003674     0.1086722     0.3312125E-01  0.9312771E-01 9.206885 4.793046 9.984805 5.188583 -0.7779198     7.063617 
1 1 1 12 9  72  o 8.501094 4.417956 -0.5306538E-01 0.6817033E-01 -0.4946321E-01 0.8693429E-01 -0.5881720E-01 0.1098530     8.660535 4.506839 8.725417 4.543488 -0.6488228E-01 6.399600 
1 1 1 12 9  73  o 7.662234 3.987390 -0.5763502E-01 0.6829930E-01 -0.1152767     0.8770163E-01 0.3120075E-01  0.1088763     7.626470 3.971608 8.002830 4.167740 -0.3763595     5.757059 
1 1 1 12 9  74  o 6.805820 3.544325 -0.1012309     0.7217039E-01 -0.1213028     0.7884049E-01 0.2561184E-02  0.1792825     6.808151 3.545575 ?        ?        0.000000       3.545575 
1 1 1 12 9  75  o 6.377398 3.315789 0.1224195      0.1178235     0.5855549E-01  0.1328289     0.3581417      0.2551907     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  76  o ?        ?        0.1707329      0.1384805     0.2090556      0.1629235     0.7097947E-01  0.2628574     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  77  o ?        ?        0.7465102E-01  0.1068623     0.4950437E-01  0.1454620     0.1041350      0.1575081     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  78  o ?        ?        0.2042214      0.1214395     0.2898243      0.1677181     0.1098819      0.1760688     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  79  o ?        ?        0.2165318E-01  0.8984914E-01 -0.4932143E-01 0.1142679     0.1366084      0.1454243     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  80  o ?        ?        0.3932507E-01  0.9193951E-01 -0.2368600E-01 0.1161827     0.1448883      0.1503798     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  81  o ?        ?        -0.5399375E-01 0.8121864E-01 -0.1202141     0.1091110     0.2828955E-01  0.1216266     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 9  82  o ?        ?        -0.4266140E-01 0.9054611E-01 0.1267770      0.1450735     -0.1507861     0.1158897     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 10 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 10 3   o 42.55605 15.98961 0.1187633      0.1274304     0.2076655E-01  0.1777275     0.2224421      0.1828073     39.85633 17.32621 53.66720 19.32138 -13.81087      25.95214 
1 1 1 12 10 4   o 39.61000 16.98076 0.3507153E-01  0.1661239     0.000000       0.000000      0.3507153E-01  0.1661239     ?        ?        39.61000 16.98076 0.000000       16.98076 
1 1 1 12 10 5   o 48.92846 19.83524 0.1397409      0.2087184     0.000000       0.000000      0.1397409      0.2087184     ?        ?        48.92846 19.83524 0.000000       19.83524 
1 1 1 12 10 6   o 32.11478 14.49072 -0.4242219E-01 0.1362783     0.000000       0.000000      -0.4242219E-01 0.1362783     ?        ?        32.11478 14.49072 0.000000       14.49072 
1 1 1 12 10 7   o 40.41380 17.40845 0.3431263E-01  0.1761530     0.000000       0.000000      0.3431263E-01  0.1761530     ?        ?        40.41380 17.40845 0.000000       17.40845 
1 1 1 12 10 8   o 64.75483 23.82701 0.3640043      0.2801594     0.000000       0.000000      0.3640043      0.2801594     ?        ?        64.75483 23.82701 0.000000       23.82701 
1 1 1 12 10 9   o 63.77918 23.92139 0.3484110      0.2849677     0.000000       0.000000      0.3484110      0.2849677     ?        ?        63.77918 23.92139 0.000000       23.92139 
1 1 1 12 10 10  o 47.37474 19.49255 0.1193876      0.2052853     0.000000       0.000000      0.1193876      0.2052853     ?        ?        47.37474 19.49255 0.000000       19.49255 
1 1 1 12 10 11  o 79.32478 26.63260 0.6173869      0.3442784     0.000000       0.000000      0.6173869      0.3442784     ?        ?        79.32478 26.63260 0.000000       26.63260 
1 1 1 12 10 12  o 47.92892 20.01312 0.1146117      0.2208831     0.000000       0.000000      0.1146117      0.2208831     ?        ?        47.92892 20.01312 0.000000       20.01312 
1 1 1 12 10 13  o 45.17105 19.12943 0.8180697E-01  0.2063326     0.000000       0.000000      0.8180697E-01  0.2063326     ?        ?        45.17105 19.12943 0.000000       19.12943 
1 1 1 12 10 14  o 48.46390 20.18050 0.1235678      0.2237106     0.000000       0.000000      0.1235678      0.2237106     ?        ?        48.46390 20.18050 0.000000       20.18050 
1 1 1 12 10 15  o 30.17339 13.56119 -0.3320282E-01 0.1179905     -0.1143558     0.1605143     0.6219393E-01  0.1740317     31.56900 14.76941 41.60165 17.59036 -10.03265      22.96860 
1 1 1 12 10 16  o 57.27999 22.67920 0.2537065      0.2663244     0.000000       0.000000      0.2537065      0.2663244     ?        ?        57.27999 22.67920 0.000000       22.67920 
1 1 1 12 10 17  o 62.98507 23.68991 0.3497964      0.2798611     0.000000       0.000000      0.3497964      0.2798611     ?        ?        62.98507 23.68991 0.000000       23.68991 
1 1 1 12 10 18  o 14.19797 7.114998 -0.1652153     0.5972668E-01 0.000000       0.000000      -0.1652153     0.5972668E-01 ?        ?        14.19797 7.114998 0.000000       7.114998 
1 1 1 12 10 19  o 80.60690 20.57694 0.5723745      0.2298113     0.9655637      0.3209787     0.1588329      0.3291812     102.7253 23.17956 54.31323 23.59539 48.41209       33.07619 
1 1 1 12 10 20  o 49.53597 20.49581 0.1498609      0.2286584     0.000000       0.000000      0.1498609      0.2286584     ?        ?        49.53597 20.49581 0.000000       20.49581 
1 1 1 12 10 21  o 55.85140 22.11131 0.2491130      0.2531299     0.000000       0.000000      0.2491130      0.2531299     ?        ?        55.85140 22.11131 0.000000       22.11131 
1 1 1 12 10 22  o 42.37333 18.21305 0.6203914E-01  0.1920083     0.000000       0.000000      0.6203914E-01  0.1920083     ?        ?        42.37333 18.21305 0.000000       18.21305 
1 1 1 12 10 23  o 54.99365 21.97475 0.2422280      0.2521889     0.000000       0.000000      0.2422280      0.2521889     ?        ?        54.99365 21.97475 0.000000       21.97475 
1 1 1 12 10 24  o 55.15790 22.07302 0.2492756      0.2548629     0.000000       0.000000      0.2492756      0.2548629     ?        ?        55.15790 22.07302 0.000000       22.07302 
1 1 1 12 10 25  o 25.33668 11.97938 -0.1017430     0.1106144     0.000000       0.000000      -0.1017430     0.1106144     ?        ?        25.33668 11.97938 0.000000       11.97938 
1 1 1 12 10 26  o 49.69236 18.16419 0.2012770      0.1624328     0.3169666      0.2230773     0.7071562E-01  0.2369822     58.74381 21.31490 44.94859 19.76177 13.79523       29.06635 
1 1 1 12 10 27  o 35.87424 16.11605 -0.1194266E-01 0.1664235     0.000000       0.000000      -0.1194266E-01 0.1664235     ?        ?        35.87424 16.11605 0.000000       16.11605 
1 1 1 12 10 28  o 22.93779 11.06958 -0.1382683     0.1053276     0.000000       0.000000      -0.1382683     0.1053276     ?        ?        22.93779 11.06958 0.000000       11.06958 
1 1 1 12 10 29  o 40.11583 17.71529 0.3915429E-01  0.1924455     0.000000       0.000000      0.3915429E-01  0.1924455     ?        ?        40.11583 17.71529 0.000000       17.71529 
1 1 1 12 10 30  o ?        ?        -0.2754055     0.5488763E-01 0.000000       0.000000      -0.2754055     0.5488763E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 31  o 41.76659 17.26029 0.1092350      0.1618812     0.1634338      0.2418371     0.6523480E-01  0.2178989     48.08784 20.54821 42.43631 18.78964 5.651531       27.84385 
1 1 1 12 10 32  o 34.59365 15.10165 0.2829496E-01  0.1362367     -0.1970569E-01 0.2062177     0.6547008E-01  0.1814799     37.80592 17.35250 40.01981 17.45119 -2.213890      24.61003 
1 1 1 12 10 33  o 27.30251 12.46369 -0.3494144E-01 0.1044723     -0.1315072     0.1689460     0.2484666E-01  0.1329363     30.42119 14.50375 33.93216 14.86241 -3.510969      20.76656 
1 1 1 12 10 34  o 33.54065 15.49101 -0.4134353E-01 0.1679780     -0.4134353E-01 0.1679780     0.000000       0.000000      33.54065 15.49101 ?        ?        0.000000       15.49101 
1 1 1 12 10 35  o 32.32513 15.01429 -0.5052270E-01 0.1611341     -0.5052270E-01 0.1611341     0.000000       0.000000      32.32513 15.01429 ?        ?        0.000000       15.01429 
1 1 1 12 10 36  o 51.09980 19.56822 0.2660137      0.1930612     0.1423806      0.2674262     0.4005808      0.2790012     45.30957 20.38520 57.05900 23.00229 -11.74943      30.73535 
1 1 1 12 10 37  o 36.46346 15.04534 0.8720638E-01  0.1227262     -0.8521401E-01 0.2052668     0.1831313      0.1531053     33.97303 16.13734 44.75434 17.34944 -10.78131      23.69424 
1 1 1 12 10 38  o 32.12064 14.18554 0.2763756E-01  0.1234170     0.4485616E-01  0.1871043     0.1437572E-01  0.1642051     37.20129 16.86469 34.47647 15.69478 2.724827       23.03788 
1 1 1 12 10 39  o 37.94977 16.00558 0.1065537      0.1434992     0.1319741      0.2141710     0.8584508E-01  0.1933063     41.43823 18.47199 38.73349 17.38693 2.704742       25.36769 
1 1 1 12 10 40  o 37.44922 15.91001 0.1069227      0.1434691     0.5400669E-01  0.2136500     0.1503809      0.1936177     37.56901 17.39328 41.14172 17.98052 -3.572712      25.01650 
1 1 1 12 10 41  o 37.06742 15.88092 0.1097918      0.1451398     0.6360380E-01  0.2144690     0.1488179      0.1971413     37.17044 17.28376 40.24439 17.84309 -3.073952      24.84158 
1 1 1 12 10 42  o 35.42303 14.69102 0.1059283      0.1178770     0.1006070      0.1440604     0.1167091      0.2050510     35.79263 15.57942 38.03927 17.40197 -2.246635      23.35695 
1 1 1 12 10 43  o 37.14707 15.10709 0.1361662      0.1215172     0.1079131      0.1519424     0.1863096      0.2024198     35.65862 15.74431 39.90672 17.86127 -4.248096      23.80984 
1 1 1 12 10 44  o 25.89737 11.81184 0.3667927E-02  0.9357010E-01 -0.4028169E-02 0.1202648     0.1547226E-01  0.1489443     27.70924 12.90384 30.34133 14.20526 -2.632086      19.19110 
1 1 1 12 10 45  o 24.02037 11.01203 -0.3150279E-02 0.8271285E-01 0.4064612E-01  0.1210307     -0.4152977E-01 0.1132990     29.38256 13.41397 25.00159 11.90812 4.380972       17.93705 
1 1 1 12 10 46  o 31.48322 13.80435 0.9430078E-01  0.1149509     0.9906726E-01  0.1442594     0.8601038E-01  0.1902537     32.13933 14.66172 32.26738 15.38595 -0.1280441     21.25309 
1 1 1 12 10 47  o 23.99776 11.25706 -0.6159671E-02 0.9431111E-01 0.2365302E-01  0.1196825     -0.5500046E-01 0.1531868     27.01513 12.67525 25.97678 12.71718 1.038347       17.95518 
1 1 1 12 10 48  o 20.43156 9.848557 -0.4916495E-01 0.8279989E-01 -0.3698363E-01 0.1067750     -0.6753933E-01 0.1311380     23.06079 11.13309 23.69925 11.63581 -0.6384678     16.10397 
1 1 1 12 10 49  o 23.76115 11.20768 0.1324232E-01  0.9578040E-01 -0.5976643E-01 0.1209420     0.1360669      0.1568673     22.54963 11.09193 29.88895 14.17111 -7.339315      17.99587 
1 1 1 12 10 50  f 28.29954 13.16089 0.1190086      0.1244286     0.1652832      0.1542895     0.3292598E-01  0.2104374     29.48988 14.00285 26.16632 13.14614 3.323557       19.20679 
1 1 1 12 10 51  o 19.71957 9.648356 -0.3496496E-01 0.8779889E-01 -0.1325793     0.1095258     0.1405494      0.1468642     18.59097 9.359190 26.86573 12.99087 -8.274759      16.01115 
1 1 1 12 10 52  o 19.52732 9.599030 -0.2346746E-01 0.9009402E-01 -0.3784594E-01 0.1088744     0.7765667E-02  0.1604638     20.02521 9.967998 22.31120 11.24423 -2.285988      15.02643 
1 1 1 12 10 53  o 20.73727 10.22845 0.3312857E-01  0.1052272     -0.1590087E-01 0.1257466     0.1476761      0.1922032     19.93757 10.03599 22.72695 11.54738 -2.789383      15.29913 
1 1 1 12 10 54  o 12.20239 6.185677 -0.1137761     0.5300658E-01 -0.1085243     0.7103369E-01 -0.1203752     0.7962506E-01 14.30651 7.242179 14.76604 7.495327 -0.4595280     10.42253 
1 1 1 12 10 55  o 19.97907 9.951119 0.1184003      0.1091877     0.1070211      0.1507298     0.1309645      0.1583837     19.06352 9.734826 19.27417 9.853416 -0.2106533     13.85123 
1 1 1 12 10 56  o 15.62107 7.897404 -0.1533522E-01 0.8282335E-01 0.6938887E-01  0.1117985     -0.1183964     0.1233049     17.48037 8.873994 15.20028 7.821454 2.280091       11.82890 
1 1 1 12 10 57  o 16.16119 8.158599 0.6272579E-01  0.8650763E-01 0.8848227E-01  0.1073750     0.1508401E-01  0.1460340     16.34030 8.333019 15.42671 7.962893 0.9135914      11.52592 
1 1 1 12 10 58  o 14.62514 7.453297 0.4518992E-01  0.8470511E-01 0.2811339E-02  0.1048277     0.1249153      0.1437809     14.06605 7.236377 14.98726 7.742114 -0.9212093     10.59743 
1 1 1 12 10 59  o 13.18555 6.758359 0.1709314E-01  0.7941248E-01 0.5656304E-02  0.9776480E-01 0.3927428E-01  0.1361513     13.11682 6.759565 13.39844 6.946884 -0.2816219     9.692829 
1 1 1 12 10 60  o 11.82767 6.074281 -0.2180353E-01 0.6787346E-01 0.4716486E-01  0.8206730E-01 -0.1710934     0.1207425     12.86674 6.611195 11.55834 6.004473 1.308398       8.930935 
1 1 1 12 10 61  o 12.23925 6.314533 0.7536639E-01  0.8967704E-01 0.8782084E-01  0.1109483     0.5189669E-01  0.1523043     12.13855 6.292963 11.83690 6.157609 0.3016500      8.804403 
1 1 1 12 10 62  o 9.746646 5.046692 -0.9003457E-01 0.6604571E-01 -0.9794419E-01 0.8309228E-01 -0.7646336E-01 0.1088410     10.06821 5.225111 10.47541 5.446353 -0.4072037     7.547485 
1 1 1 12 10 63  o 10.15942 5.279462 0.2333730E-01  0.9684470E-01 0.4084527E-02  0.1289270     0.4826662E-01  0.1467075     10.09193 5.253469 10.19317 5.307636 -0.1012344     7.467927 
1 1 1 12 10 64  o 9.388667 4.887297 0.7053655E-01  0.1106717     0.1162682      0.1295607     -0.5290126E-01 0.2128574     9.442745 4.917018 9.179037 4.775732 0.2637081      6.854537 
1 1 1 12 10 65  o 8.312859 4.326746 -0.8736724E-02 0.8384807E-01 -0.3019883E-01 0.9279659E-01 0.8672012E-01  0.1957039     8.263908 4.302778 8.440460 4.389657 -0.1765518     6.146786 
1 1 1 12 10 66  o 7.716549 4.018690 0.9948438E-01  0.1023961     0.1420975      0.1150858     -0.6241114E-01 0.2243199     7.745930 4.033430 ?        ?        0.000000       4.033430 
1 1 1 12 10 67  o 6.834389 3.558993 0.2068942E-01  0.8707619E-01 0.8266746E-01  0.9701736E-01 -0.2360900     0.1974743     6.923679 3.605130 ?        ?        0.000000       3.605130 
1 1 1 12 10 68  o ?        ?        0.1146620      0.1244898     0.1357622      0.1459980     0.5845348E-01  0.2382894     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 69  o 5.305873 2.759444 -0.4731581E-01 0.7805003E-01 -0.5555864E-01 0.1038083     -0.3659638E-01 0.1183805     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 70  o ?        ?        0.6685772E-01  0.9982391E-01 0.3469964E-01  0.1359217     0.1045138      0.1470826     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 71  o ?        ?        0.2960934E-01  0.8466474E-01 -0.4794605E-01 0.1055857     0.1692812      0.1416948     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 72  o ?        ?        0.1070665      0.9499659E-01 0.1152018      0.1194436     0.9306255E-01  0.1567129     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 73  o ?        ?        0.3015194E-01  0.8289085E-01 0.2072227E-01  0.1033429     0.4716236E-01  0.1388001     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 74  o ?        ?        -0.7526838E-01 0.6423797E-01 -0.8245969E-01 0.7830574E-01 -0.6046989E-01 0.1123307     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 75  o ?        ?        0.3720287E-01  0.9518023E-01 0.9774211E-01  0.1298478     -0.3309960E-01 0.1399270     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 10 76  o ?        ?        -0.4902620E-01 0.1850345     -0.4902620E-01 0.1850345     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 2   o 44.48320 19.08591 0.1359515      0.2101830     0.1359515      0.2101830     0.000000       0.000000      44.48320 19.08591 ?        ?        0.000000       19.08591 
1 1 1 12 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 5   o 36.92920 16.42533 0.3306767E-01  0.1683472     0.000000       0.000000      0.3306767E-01  0.1683472     ?        ?        36.92920 16.42533 0.000000       16.42533 
1 1 1 12 11 6   o 41.19183 18.27802 0.7539977E-01  0.2072781     0.000000       0.000000      0.7539977E-01  0.2072781     ?        ?        41.19183 18.27802 0.000000       18.27802 
1 1 1 12 11 7   o 35.13004 16.09880 -0.1638431E-01 0.1765353     0.000000       0.000000      -0.1638431E-01 0.1765353     ?        ?        35.13004 16.09880 0.000000       16.09880 
1 1 1 12 11 8   o 45.92290 19.94162 0.1590762      0.2349213     0.000000       0.000000      0.1590762      0.2349213     ?        ?        45.92290 19.94162 0.000000       19.94162 
1 1 1 12 11 9   o 34.48204 15.11029 0.3438647E-01  0.1375492     -0.1510938     0.1908385     0.2349202      0.1984316     31.41031 15.09263 49.50989 19.58459 -18.09958      24.72536 
1 1 1 12 11 10  o 58.71941 23.99397 0.4368269      0.3083756     0.000000       0.000000      0.4368269      0.3083756     ?        ?        58.71941 23.99397 0.000000       23.99397 
1 1 1 12 11 11  o 31.55148 14.73963 -0.6097239E-01 0.1588992     0.000000       0.000000      -0.6097239E-01 0.1588992     ?        ?        31.55148 14.73963 0.000000       14.73963 
1 1 1 12 11 12  o 39.24704 17.34052 0.7149657E-01  0.1846212     0.000000       0.000000      0.7149657E-01  0.1846212     ?        ?        39.24704 17.34052 0.000000       17.34052 
1 1 1 12 11 13  o 39.11110 17.50893 0.6094795E-01  0.1946239     0.000000       0.000000      0.6094795E-01  0.1946239     ?        ?        39.11110 17.50893 0.000000       17.50893 
1 1 1 12 11 14  o 46.19334 20.00034 0.1881072      0.2349265     0.000000       0.000000      0.1881072      0.2349265     ?        ?        46.19334 20.00034 0.000000       20.00034 
1 1 1 12 11 15  o 15.80639 7.901985 -0.1764411     0.7165323E-01 0.000000       0.000000      -0.1764411     0.7165323E-01 ?        ?        15.80639 7.901985 0.000000       7.901985 
1 1 1 12 11 16  o 32.55846 14.35292 0.2901255E-01  0.1257871     0.2718638      0.1735802     -0.2395487     0.1825373     51.09581 18.76195 27.77301 13.65458 23.32280       23.20470 
1 1 1 12 11 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 21  o 36.70616 16.93499 0.4387470E-01  0.1999631     0.4387470E-01  0.1999631     0.000000       0.000000      36.70616 16.93499 ?        ?        0.000000       16.93499 
1 1 1 12 11 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 23  o 31.87903 15.06972 -0.3327497E-01 0.1748921     -0.3327497E-01 0.1748921     0.000000       0.000000      31.87903 15.06972 ?        ?        0.000000       15.06972 
1 1 1 12 11 24  o 29.42790 13.50299 0.1347921E-03  0.1247417     -0.8730973E-02 0.1775704     0.8772794E-02  0.1752747     32.57320 15.33245 33.09629 15.46776 -0.5230942     21.77925 
1 1 1 12 11 25  o 34.75333 16.17644 0.4598112E-01  0.1886421     0.000000       0.000000      0.4598112E-01  0.1886421     ?        ?        34.75333 16.17644 0.000000       16.17644 
1 1 1 12 11 26  o ?        ?        -0.2058512     0.5408943E-01 0.000000       0.000000      -0.2058512     0.5408943E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 27  o 32.16997 15.24626 0.1127042E-01  0.1812033     0.000000       0.000000      0.1127042E-01  0.1812033     ?        ?        32.16997 15.24626 0.000000       15.24626 
1 1 1 12 11 28  f 38.52249 17.96139 0.1886704      0.2341509     0.000000       0.000000      0.1886704      0.2341509     ?        ?        38.52249 17.96139 0.000000       17.96139 
1 1 1 12 11 29  o 35.91986 15.81657 0.1412598      0.1523187     0.2824848      0.2137348     -0.4484252E-02 0.2171276     41.56709 18.49690 31.94623 15.52896 9.620863       24.15128 
1 1 1 12 11 30  o 33.64247 15.95991 0.9499010E-01  0.1995293     0.000000       0.000000      0.9499010E-01  0.1995293     ?        ?        33.64247 15.95991 0.000000       15.95991 
1 1 1 12 11 31  o 37.11435 16.49233 0.2027052      0.1693425     0.2341838      0.2437848     0.1733527      0.2354077     36.66304 17.46384 35.07564 16.82954 1.587402       24.25323 
1 1 1 12 11 32  o 31.99412 14.69431 0.1082104      0.1481996     0.2688284      0.2130196     -0.4245331E-01 0.2063131     37.41565 17.33825 28.74124 14.20354 8.674410       22.41329 
1 1 1 12 11 33  o 20.73746 10.06876 -0.6824694E-01 0.9058034E-01 -0.2262054     0.1375104     0.5282749E-01  0.1203899     20.84039 10.49101 28.13645 13.03693 -7.296061      16.73388 
1 1 1 12 11 34  o 34.14689 15.69553 0.2092619      0.1695428     -0.2105193E-01 0.2431957     0.4270398      0.2364845     28.38123 14.24141 38.54251 17.99750 -10.16128      22.95055 
1 1 1 12 11 35  o 27.32846 12.99865 0.5986548E-01  0.1340586     -0.6663152E-01 0.1959556     0.1711584      0.1838025     25.72393 12.89047 31.06672 14.89672 -5.342794      19.69966 
1 1 1 12 11 36  f 28.98778 13.82186 0.1270392      0.1535219     0.1020346      0.2244784     0.1490116      0.2104278     28.15476 14.06186 29.08068 14.36624 -0.9259186     20.10285 
1 1 1 12 11 37  o 26.27644 12.66830 0.7944196E-01  0.1371505     -0.1081389     0.2016581     0.2408844      0.1870813     23.64111 11.99290 30.29338 14.65163 -6.652275      18.93410 
1 1 1 12 11 38  o 23.85888 11.37775 0.4986403E-01  0.1040967     0.9930611E-02  0.1298604     0.1216543      0.1741171     23.07643 11.37853 26.11959 12.93332 -3.043152      17.22619 
1 1 1 12 11 39  o 26.47194 12.63193 0.1478695      0.1287405     -0.2838178E-01 0.2321088     0.2261854      0.1547213     23.03657 11.78881 28.02829 13.49832 -4.991714      17.92152 
1 1 1 12 11 40  f 23.27201 11.51786 0.9506819E-01  0.1374882     0.1669451E-01  0.1943283     0.1736184      0.1945471     22.03274 11.23370 24.07799 12.16468 -2.045242      16.55824 
1 1 1 12 11 41  o 11.13933 5.658415 -0.1229036     0.4594846E-01 -0.1858387     0.9698586E-01 -0.1046894     0.5217553E-01 15.34904 7.835639 12.59075 6.353764 2.758289       10.08799 
1 1 1 12 11 42  o 18.45545 9.318411 -0.1840291E-01 0.1131399     0.6618522E-01  0.1707375     -0.8462544E-01 0.1510697     20.19607 10.31703 18.29745 9.374756 1.898626       13.94013 
1 1 1 12 11 43  o 19.89398 10.14483 0.1512585      0.1589997     0.2639302      0.2330300     0.5311102E-01  0.2174922     19.93111 10.27864 18.74113 9.675626 1.189983       14.11623 
1 1 1 12 11 44  o 17.11683 8.746068 0.1136169E-01  0.1233540     0.9268887E-01  0.1862998     -0.5212739E-01 0.1646054     17.92060 9.239582 16.82326 8.674277 1.097338       12.67332 
1 1 1 12 11 45  o 12.54361 6.428911 -0.1308805     0.7172767E-01 -0.6743676E-01 0.1210535     -0.1652065     0.8904193E-01 15.19823 7.816580 13.09335 6.732580 2.104881       10.31632 
1 1 1 12 11 46  o 14.17548 7.282424 -0.5346151E-01 0.9908658E-01 -0.5948649E-01 0.1535334     -0.4916076E-01 0.1297172     14.78710 7.657866 14.66017 7.564669 0.1269312      10.76416 
1 1 1 12 11 47  o 15.55183 8.007778 0.1707358      0.1327347     0.1306315      0.1636165     0.2479416      0.2270162     14.92719 7.735847 15.00592 7.802159 -0.7873058E-01 10.98713 
1 1 1 12 11 48  o 13.43587 6.900115 0.1777890E-01  0.8752993E-01 0.3103959E-01  0.1224483     0.3922481E-02  0.1251685     13.59245 7.025743 13.40700 6.942153 0.1854496      9.876970 
1 1 1 12 11 49  o 10.92461 5.636727 -0.1202454     0.7177310E-01 -0.1235544     0.1291767     -0.1187677     0.8632419E-01 12.13480 6.302217 11.43044 5.907919 0.7043524      8.638371 
1 1 1 12 11 50  o 9.751520 5.048847 -0.1723135     0.6578343E-01 0.2136002E-01  0.1142228     -0.2684343     0.8046859E-01 12.18788 6.320179 9.730016 5.051776 2.457868       8.091051 
1 1 1 12 11 51  o 11.77852 6.121987 0.6632592E-01  0.1330134     -0.1092497     0.1953035     0.2182204      0.1816557     11.37602 5.924268 12.03066 6.262589 -0.6546421     8.620729 
1 1 1 12 11 52  f 9.819715 5.094999 -0.1111892     0.7745852E-01 -0.6078884E-01 0.1252869     -0.1423735     0.9854997E-01 10.56357 5.496213 10.02342 5.210612 0.5401506      7.573562 
1 1 1 12 11 53  o 10.05481 5.231249 -0.1954889E-01 0.1114877     -0.7604730E-01 0.1685189     0.2442644E-01  0.1486740     10.03911 5.228177 10.20221 5.312572 -0.1630964     7.453674 
1 1 1 12 11 54  o ?        ?        -0.2103638     0.4214840E-01 -0.1072951     0.7258148E-01 -0.2628044     0.5177209E-01 8.685280 4.514363 ?        ?        0.000000       4.514363 
1 1 1 12 11 55  o 8.537116 4.445230 -0.4838668E-01 0.1022254     -0.1794125     0.1525967     0.5828620E-01  0.1376872     8.472727 4.411202 8.770334 4.567380 -0.2976074     6.349777 
1 1 1 12 11 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 58  o ?        ?        0.3264390E-01  0.1795792     0.3264390E-01  0.1795792     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 59  o 6.129299 3.184208 0.1066198      0.1210756     -0.1597094     0.1996441     0.2615576      0.1522740     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 60  o ?        ?        -0.2044606E-01 0.1145868     0.4812223E-01  0.1552436     -0.1025131     0.1698386     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 61  o 4.750911 2.468867 -0.1044395     0.7017255E-01 -0.1583243     0.9200773E-01 -0.2951120E-01 0.1084961     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 62  o ?        ?        -0.4246330E-01 0.6756970E-01 0.1031537E-02  0.8151601E-01 -0.1379728     0.1207946     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 63  o ?        ?        -0.1939833E-01 0.7239593E-01 0.7306467E-02  0.8816087E-01 -0.7469472E-01 0.1268614     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 64  o ?        ?        0.5468663E-01  0.8916917E-01 -0.1695895E-01 0.1101320     0.1910381      0.1519317     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 65  o ?        ?        0.1368751      0.1027973     0.1015649      0.1279904     0.2010507      0.1725489     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 66  o ?        ?        0.4430076E-01  0.8935255E-01 0.2769988E-01  0.1101983     0.7616287E-01  0.1526675     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 67  o ?        ?        0.2079833E-01  0.9182908E-01 0.1409451      0.1214034     -0.1398602     0.1403870     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 11 68  o ?        ?        -0.1276870     0.1179782     -0.1276870     0.1179782     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 2   o 31.18148 15.50913 0.2641591      0.2614482     0.2641591      0.2614482     0.000000       0.000000      31.18148 15.50913 ?        ?        0.000000       15.50913 
1 1 1 12 12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 6   o 28.86358 14.27561 0.1385523      0.2098935     0.000000       0.000000      0.1385523      0.2098935     ?        ?        28.86358 14.27561 0.000000       14.27561 
1 1 1 12 12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 9   o 26.91828 13.44992 0.7065547E-01  0.2063429     0.7065547E-01  0.2063429     0.000000       0.000000      26.91828 13.44992 ?        ?        0.000000       13.44992 
1 1 1 12 12 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 14  o 25.23998 12.65500 0.9031402E-01  0.1901192     0.000000       0.000000      0.9031402E-01  0.1901192     ?        ?        25.23998 12.65500 0.000000       12.65500 
1 1 1 12 12 15  o 25.65664 12.97889 0.1568817      0.2257364     0.000000       0.000000      0.1568817      0.2257364     ?        ?        25.65664 12.97889 0.000000       12.97889 
1 1 1 12 12 16  o 19.88164 9.890757 -0.5130263E-01 0.1065526     -0.1079767     0.1555435     -0.1191307E-02 0.1462607     20.76876 10.53546 22.37724 11.20213 -1.608480      15.37803 
1 1 1 12 12 17  o 18.48535 9.324685 -0.1138308     0.1117617     0.000000       0.000000      -0.1138308     0.1117617     ?        ?        18.48535 9.324685 0.000000       9.324685 
1 1 1 12 12 18  o 24.88108 12.73841 0.3217699      0.2739902     0.000000       0.000000      0.3217699      0.2739902     ?        ?        24.88108 12.73841 0.000000       12.73841 
1 1 1 12 12 19  f 22.99213 11.74815 0.1369860      0.2225801     0.000000       0.000000      0.1369860      0.2225801     ?        ?        22.99213 11.74815 0.000000       11.74815 
1 1 1 12 12 20  o 23.25939 11.95446 0.3055013      0.2725109     0.000000       0.000000      0.3055013      0.2725109     ?        ?        23.25939 11.95446 0.000000       11.95446 
1 1 1 12 12 21  o 21.53329 11.04946 0.1271101      0.2188008     0.000000       0.000000      0.1271101      0.2188008     ?        ?        21.53329 11.04946 0.000000       11.04946 
1 1 1 12 12 22  o 21.38002 10.98823 0.1954669      0.2308588     0.000000       0.000000      0.1954669      0.2308588     ?        ?        21.38002 10.98823 0.000000       10.98823 
1 1 1 12 12 23  o ?        ?        -0.1865794     0.5025444E-01 0.000000       0.000000      -0.1865794     0.5025444E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 24  o 20.07176 10.22960 0.1489166      0.1597533     0.2452918      0.2271497     0.5459170E-01  0.2247204     20.10306 10.35730 18.94010 9.780379 1.162962       14.24533 
1 1 1 12 12 25  o 18.38869 9.376857 0.6253768E-01  0.1357322     -0.5161817E-01 0.1871576     0.1891952      0.1971397     17.51201 9.038197 19.19914 9.879667 -1.687122      13.39018 
1 1 1 12 12 26  o 18.35586 9.516097 0.2400772      0.2535758     0.000000       0.000000      0.2400772      0.2535758     ?        ?        18.35586 9.516097 0.000000       9.516097 
1 1 1 12 12 27  o 16.65049 8.593783 -0.5518219E-02 0.1694067     0.000000       0.000000      -0.5518219E-02 0.1694067     ?        ?        16.65049 8.593783 0.000000       8.593783 
1 1 1 12 12 28  o 16.97421 8.823433 0.3406105      0.2793634     0.000000       0.000000      0.3406105      0.2793634     ?        ?        16.97421 8.823433 0.000000       8.823433 
1 1 1 12 12 29  o 14.97700 7.739529 -0.4487195E-01 0.1467055     0.000000       0.000000      -0.4487195E-01 0.1467055     ?        ?        14.97700 7.739529 0.000000       7.739529 
1 1 1 12 12 30  o 15.53382 8.077360 0.2301791      0.2456441     0.000000       0.000000      0.2301791      0.2456441     ?        ?        15.53382 8.077360 0.000000       8.077360 
1 1 1 12 12 31  o 11.15781 5.746426 -0.1508829     0.6889504E-01 0.000000       0.000000      -0.1508829     0.6889504E-01 ?        ?        11.15781 5.746426 0.000000       5.746426 
1 1 1 12 12 32  o 12.71536 6.573330 -0.9480631E-01 0.1080946     0.000000       0.000000      -0.9480631E-01 0.1080946     ?        ?        12.71536 6.573330 0.000000       6.573330 
1 1 1 12 12 33  o 13.36051 6.890172 0.4466076E-01  0.1047430     -0.1221332E-01 0.1297025     0.1512925      0.1775965     12.97184 6.726860 13.60574 7.071732 -0.6338997     9.760124 
1 1 1 12 12 34  o 13.18174 6.843852 0.1084748      0.1476061     0.1993567      0.2147501     0.2708992E-01  0.2032200     13.18195 6.861101 12.82476 6.675183 0.3571882      9.572500 
1 1 1 12 12 35  o 12.41192 6.444649 0.3995230E-01  0.1319744     0.7939802E-01  0.1948483     0.6517627E-02  0.1793887     12.45740 6.484737 12.29220 6.397264 0.1652031      9.109160 
1 1 1 12 12 36  o 9.068846 4.683558 -0.1416926     0.5185284E-01 -0.1810866     0.9922595E-01 -0.1268933     0.6081771E-01 10.60340 5.507153 9.768386 5.045800 0.8350124      7.469192 
1 1 1 12 12 37  f 11.08757 5.760176 -0.3919909E-01 0.1117727     0.2617359E-01  0.1701834     -0.8878902E-01 0.1482231     11.39172 5.930838 11.07315 5.763389 0.3185682      8.269915 
1 1 1 12 12 38  o ?        ?        -0.1760201     0.4091075E-01 -0.3169745     0.6708208E-01 -0.9254958E-01 0.5162187E-01 ?        ?        9.135612 4.716405 0.000000       4.716405 
1 1 1 12 12 39  o 10.04738 5.224502 -0.5684810E-01 0.1027964     -0.6739393E-01 0.1607631     -0.4955386E-01 0.1337014     10.21411 5.319299 10.19271 5.306356 0.2139759E-01  7.513479 
1 1 1 12 12 40  o 10.02247 5.214514 0.2465644      0.2529984     0.000000       0.000000      0.2465644      0.2529984     ?        ?        10.02247 5.214514 0.000000       5.214514 
1 1 1 12 12 41  f 9.008348 4.690612 -0.8419401E-01 0.1134813     0.000000       0.000000      -0.8419401E-01 0.1134813     ?        ?        9.008348 4.690612 0.000000       4.690612 
1 1 1 12 12 42  o 7.426625 3.856366 -0.1187391     0.4759301E-01 -0.1560741     0.9523714E-01 -0.1063119     0.5494585E-01 8.218387 4.279323 7.770742 4.037056 0.4476442      5.883063 
1 1 1 12 12 43  o ?        ?        -0.2175788     0.5000230E-01 0.000000       0.000000      -0.2175788     0.5000230E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 44  o ?        ?        -0.1906027     0.4925785E-01 0.000000       0.000000      -0.1906027     0.4925785E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 45  o ?        ?        0.1405227      0.2149032     0.000000       0.000000      0.1405227      0.2149032     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 46  o ?        ?        0.9521069E-01  0.2218973     0.9521069E-01  0.2218973     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 47  o ?        ?        -0.2309623E-03 0.1787763     -0.2309623E-03 0.1787763     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 48  o 5.265332 2.741022 -0.1922545     0.6187241E-01 -0.1922545     0.6187241E-01 0.000000       0.000000      5.265332 2.741022 ?        ?        0.000000       2.741022 
1 1 1 12 12 49  o ?        ?        0.1583720      0.1653045     -0.3112974E-01 0.2337929     0.3478186      0.2337588     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 50  o ?        ?        -0.9398628E-01 0.9260079E-01 0.6893646E-02  0.1408016     -0.1708771     0.1229256     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 51  o ?        ?        0.2385474E-01  0.1220452     -0.1458800     0.1855609     0.1532552      0.1620201     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 52  o ?        ?        -0.1384329E-02 0.9712522E-01 -0.1014267     0.1670412     0.4971252E-01  0.1193792     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 53  o ?        ?        0.6304669E-01  0.1093530     0.8533521E-01  0.1348983     0.2033028E-01  0.1867511     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 54  f ?        ?        0.2940695E-01  0.1022779     -0.2024808E-01 0.1277894     0.1179054      0.1706009     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 55  o ?        ?        -0.6657081E-01 0.9404786E-01 -0.5120665E-01 0.1490275     -0.7673947E-01 0.1212394     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 56  o ?        ?        -0.5445397E-01 0.1052197     0.1588447E-01  0.1627002     -0.1050203     0.1379502     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 57  o ?        ?        -0.2337306     0.3807796E-01 -0.3858971     0.5753340E-01 -0.1151220     0.5079471E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 12 58  o ?        ?        0.2165899      0.2580947     0.2165899      0.2580947     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 1   o 8.489070 4.393094 -0.1553741     0.4880745E-01 -0.1553741     0.4880745E-01 0.000000       0.000000      8.489070 4.393094 ?        ?        0.000000       4.393094 
1 1 1 12 13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 7   o 11.21921 5.842377 0.1946512      0.2320561     0.000000       0.000000      0.1946512      0.2320561     ?        ?        11.21921 5.842377 0.000000       5.842377 
1 1 1 12 13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 16  o 9.315428 4.848455 -0.9191459E-01 0.1043992     0.000000       0.000000      -0.9191459E-01 0.1043992     ?        ?        9.315428 4.848455 0.000000       4.848455 
1 1 1 12 13 17  o 9.619816 5.009795 0.1531486      0.1563694     0.2122643      0.2180640     0.9057584E-01  0.2243495     9.564258 4.977457 9.465168 4.925045 0.9908962E-01  7.002224 
1 1 1 12 13 18  o ?        ?        -0.2569407     0.5358954E-01 0.000000       0.000000      -0.2569407     0.5358954E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 19  o 9.039895 4.697137 0.2533666      0.2572184     0.000000       0.000000      0.2533666      0.2572184     ?        ?        9.039895 4.697137 0.000000       4.697137 
1 1 1 12 13 20  o 8.495667 4.424341 -0.9639408E-01 0.1286620     0.000000       0.000000      -0.9639408E-01 0.1286620     ?        ?        8.495667 4.424341 0.000000       4.424341 
1 1 1 12 13 21  o 8.223005 4.282043 -0.9982172E-01 0.1265436     0.000000       0.000000      -0.9982172E-01 0.1265436     ?        ?        8.223005 4.282043 0.000000       4.282043 
1 1 1 12 13 22  o 8.176847 4.249177 0.9162401E-01  0.2080791     0.000000       0.000000      0.9162401E-01  0.2080791     ?        ?        8.176847 4.249177 0.000000       4.249177 
1 1 1 12 13 23  o 6.698972 3.487147 -0.2049340     0.5616568E-01 0.000000       0.000000      -0.2049340     0.5616568E-01 ?        ?        6.698972 3.487147 0.000000       3.487147 
1 1 1 12 13 24  o 7.486755 3.894872 -0.7860626E-01 0.1465745     0.000000       0.000000      -0.7860626E-01 0.1465745     ?        ?        7.486755 3.894872 0.000000       3.894872 
1 1 1 12 13 25  o ?        ?        0.2588847      0.2512159     0.000000       0.000000      0.2588847      0.2512159     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 26  o 7.028749 3.657240 0.9153008E-02  0.1230921     -0.2465559E-01 0.1704313     0.4601892E-01  0.1779706     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 27  o 6.685029 3.476902 0.2272571E-02  0.1214595     -0.1247754     0.1721498     0.1282045      0.1713920     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 28  o ?        ?        0.2142323E-01  0.1824406     0.000000       0.000000      0.2142323E-01  0.1824406     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 29  o ?        ?        0.1205660      0.2179351     0.000000       0.000000      0.1205660      0.2179351     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 30  o ?        ?        0.5962060E-01  0.2022034     0.000000       0.000000      0.5962060E-01  0.2022034     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 31  o ?        ?        -0.1186893     0.1228260     0.000000       0.000000      -0.1186893     0.1228260     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 35  o ?        ?        0.2178546      0.2388386     0.2178546      0.2388386     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 36  o ?        ?        0.8238628E-01  0.1495634     0.8238628E-01  0.1495634     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 37  o ?        ?        -0.8148559E-01 0.8015653E-01 -0.1110537     0.9951634E-01 -0.2686989E-01 0.1352513     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 38  f ?        ?        -0.2155830     0.4280316E-01 -0.1541935     0.7108691E-01 -0.2504989     0.5361102E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 39  o ?        ?        0.5839603E-01  0.1415387     0.1068417      0.2066204     0.1556397E-01  0.1942810     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 40  o ?        ?        0.1139932      0.1578881     0.3002546      0.2295432     -0.5326220E-01 0.2175169     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 41  o ?        ?        0.1029169      0.1541145     0.8138448E-01  0.2258374     0.1216839      0.2108367     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 42  o ?        ?        -0.3183786E-01 0.1209621     0.6597730E-01  0.1811765     -0.1105059     0.1624793     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 43  o ?        ?        0.8136474E-01  0.1517993     0.2208335      0.2236002     -0.3786725E-01 0.2067427     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 44  o ?        ?        0.2757282      0.2791489     0.2757282      0.2791489     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 13 45  o ?        ?        -0.1857560E-01 0.1527909     -0.1857560E-01 0.1527909     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 14 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 1   o ?        ?        -0.3766313     0.5520226E-01 -0.3766313     0.5520226E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 12 14 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 17  o ?        ?        -0.7008762E-01 0.1057383     -0.5762025E-01 0.1361502     -0.8903639E-01 0.1678500     ?        ?        ?        ?        0.000000       ?        
1 1 1 12 14 18  o ?        ?        -0.2845946     0.5121049E-01 0.000000       0.000000      -0.2845946     0.5121049E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 12 14 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  3   o 59.77106 26.78900 0.3704338      0.2357725     0.3704338      0.2357725     0.000000       0.000000      59.77106 26.78900 59.77106 26.78900 0.000000       0.000000 
1 1 1 13 0  4   o 41.13239 22.27914 0.1724445      0.1772860     0.1724445      0.1772860     0.000000       0.000000      41.13239 22.27914 41.13239 22.27914 0.000000       0.000000 
1 1 1 13 0  5   o 70.01444 28.92748 0.4940554      0.2775525     0.4940554      0.2775525     0.000000       0.000000      70.01444 28.92748 70.01444 28.92748 0.000000       0.000000 
1 1 1 13 0  6   o 30.93771 18.36349 0.7601581E-01  0.1364862     0.7601581E-01  0.1364862     0.000000       0.000000      30.93771 18.36349 30.93771 18.36349 0.000000       0.000000 
1 1 1 13 0  7   o 76.59499 29.30491 0.5718232      0.2925125     0.5718232      0.2925125     0.000000       0.000000      76.59499 29.30491 76.59499 29.30491 0.000000       0.000000 
1 1 1 13 0  8   o 94.12930 30.19139 0.8044229      0.3461440     0.8044229      0.3461440     0.000000       0.000000      94.12930 30.19139 94.12930 30.19139 0.000000       0.000000 
1 1 1 13 0  9   o 89.42636 30.37950 0.7429429      0.3361636     0.7429429      0.3361636     0.000000       0.000000      89.42636 30.37950 89.42636 30.37950 0.000000       0.000000 
1 1 1 13 0  10  o 60.51699 27.70604 0.3839694      0.2525819     0.3839694      0.2525819     0.000000       0.000000      60.51699 27.70604 60.51699 27.70604 0.000000       0.000000 
1 1 1 13 0  11  o 205.5795 24.99332 3.163180       0.6815260     3.163180       0.6815260     0.000000       0.000000      205.5795 24.99332 205.5795 24.99332 0.000000       0.000000 
1 1 1 13 0  12  o 208.5818 24.98902 3.253339       0.6923945     3.253339       0.6923945     0.000000       0.000000      208.5818 24.98902 208.5818 24.98902 0.000000       0.000000 
1 1 1 13 0  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  16  o 208.2009 25.16568 3.248365       0.6954136     3.248365       0.6954136     0.000000       0.000000      208.2009 25.16568 208.2009 25.16568 0.000000       0.000000 
1 1 1 13 0  17  o 240.3083 24.71626 4.281345       0.8002666     4.281345       0.8002666     0.000000       0.000000      240.3083 24.71626 240.3083 24.71626 0.000000       0.000000 
1 1 1 13 0  18  o 225.1293 16.74433 3.627456       0.5139010     3.084745       0.7322350     4.154249       0.7214173     200.8103 27.95697 238.0480 22.40344 0.000000       0.000000 
1 1 1 13 0  19  o 282.7595 16.71010 5.690392       0.6472141     5.407683       0.9243025     5.962348       0.9065536     270.3666 25.26552 285.5372 23.35219 0.000000       0.000000 
1 1 1 13 0  20  o 124.8597 18.21538 1.166604       0.2945273     1.214897       0.4326414     1.124891       0.4020843     119.9819 30.19369 115.6033 29.12510 0.000000       0.000000 
1 1 1 13 0  21  o 76.52446 16.67653 0.4639512      0.1543857     0.5335492      0.2959647     0.4379340      0.1809557     72.58893 29.85160 70.94473 21.21010 0.000000       0.000000 
1 1 1 13 0  22  o 126.0531 11.95597 1.137950       0.2038007     0.9954562      0.2933007     1.270977       0.2833901     113.3288 20.81489 131.5491 16.26989 0.000000       0.000000 
1 1 1 13 0  23  o 189.8415 13.69163 2.562530       0.3546191     3.932060       0.6474390     1.975579       0.4238519     232.3204 20.55240 163.5686 19.49765 0.000000       0.000000 
1 1 1 13 0  24  o 347.2142 11.76900 8.443388       0.5627850     7.600320       0.7930921     9.298496       0.7987343     326.3726 17.71767 362.2802 16.03841 0.000000       0.000000 
1 1 1 13 0  25  o 307.7635 11.75422 6.640842       0.4978612     6.722662       0.7116637     6.562418       0.6967378     307.1864 16.89460 303.5583 16.73857 0.000000       0.000000 
1 1 1 13 0  26  o 300.9269 11.73630 6.351517       0.4859902     6.035049       0.6913488     6.660667       0.6833096     290.5735 17.37292 306.0265 16.27554 0.000000       0.000000 
1 1 1 13 0  27  o 375.2719 11.87271 9.868115       0.6138301     9.031954       0.8656557     10.71374       0.8705387     355.7240 17.72395 388.5955 16.28887 0.000000       0.000000 
1 1 1 13 0  28  o 173.4211 11.83165 2.129969       0.2802975     2.444862       0.4047571     1.839802       0.3885411     184.0737 16.21382 157.9650 18.47355 0.000000       0.000000 
1 1 1 13 0  29  o 123.4798 12.22626 1.096758       0.2037729     1.118259       0.2942412     1.076942       0.2824754     121.4876 18.90353 119.3300 18.45790 0.000000       0.000000 
1 1 1 13 0  30  o 158.5020 13.93815 1.804522       0.2996287     1.084872       0.5315402     2.139701       0.3627553     102.5510 39.57242 172.1431 15.55307 0.000000       0.000000 
1 1 1 13 0  31  o 134.5429 18.36750 1.354114       0.3232173     1.348885       0.4729266     1.358698       0.4427598     125.3787 31.58562 128.2111 28.63323 0.000000       0.000000 
1 1 1 13 0  32  o 192.7544 13.77034 2.651625       0.3622133     2.305967       0.4444869     3.334910       0.6249382     177.0145 18.65934 211.7456 21.91131 0.000000       0.000000 
1 1 1 13 0  33  o 197.7804 13.66933 2.790499       0.3692142     2.554665       0.6400961     2.908086       0.4519821     180.4475 27.60932 200.4689 16.58950 0.000000       0.000000 
1 1 1 13 0  34  o 91.13235 17.03784 0.6444905      0.1924397     0.7913381      0.2389568     0.3734927      0.3246154     100.4617 19.27968 57.78312 30.49605 0.000000       0.000000 
1 1 1 13 0  35  o 119.3305 15.12832 1.052749       0.2383631     1.188500       0.2955653     0.8002117      0.4031294     125.4502 18.17179 87.92895 34.59816 0.000000       0.000000 
1 1 1 13 0  36  o 147.1711 12.27574 1.551859       0.2454711     1.868313       0.3541681     1.259307       0.3405305     159.6496 16.46716 127.4923 21.07497 0.000000       0.000000 
1 1 1 13 0  37  o 84.80849 14.92910 0.5515315      0.1586454     0.7365062      0.2307514     0.3857241      0.2184691     96.17175 19.65026 61.13554 25.70994 0.000000       0.000000 
1 1 1 13 0  38  o 51.71976 18.73290 0.2522255      0.1228177     0.2702063      0.1789788     0.2362231      0.1688447     50.35276 23.30898 46.89264 22.54726 0.000000       0.000000 
1 1 1 13 0  39  o 26.24889 15.26742 0.6095505E-01  0.9111948E-01 -0.8706893E-01 0.1353646     0.1836005      0.1232153     20.98729 14.41278 41.83636 19.34125 0.000000       0.000000 
1 1 1 13 0  40  o 72.39340 17.54925 0.4314507      0.1520440     0.3942838      0.2205820     0.4650935      0.2098636     61.57199 25.82854 70.27396 24.07253 0.000000       0.000000 
1 1 1 13 0  41  o 25.07918 15.12032 0.4661018E-01  0.9538140E-01 0.1226870      0.1382608     -0.2247409E-01 0.1317537     34.73448 19.36888 23.58043 15.58329 0.000000       0.000000 
1 1 1 13 0  42  o 92.04170 15.09455 0.6474986      0.1763379     0.7222441      0.2541915     0.5781568      0.2448308     92.17860 23.08666 78.84759 25.45597 0.000000       0.000000 
1 1 1 13 0  43  o 129.2540 13.13224 1.219417       0.2288344     0.9663367      0.3258444     1.465704       0.3214418     106.3738 25.58124 139.5013 17.42192 0.000000       0.000000 
1 1 1 13 0  44  o 85.27679 15.94019 0.5689781      0.1684791     0.5433530      0.2398599     0.5939330      0.2367024     75.37760 25.69061 81.00330 24.28887 0.000000       0.000000 
1 1 1 13 0  45  o 54.94868 19.77988 0.2881318      0.1374206     0.8248308E-01  0.1952997     0.4897959      0.1933984     34.15254 21.08464 74.21212 21.72837 0.000000       0.000000 
1 1 1 13 0  46  o 112.8770 13.94234 0.9477997      0.2084056     1.042501       0.2993837     0.8587666      0.2902867     113.9071 21.18665 100.2025 24.20060 0.000000       0.000000 
1 1 1 13 0  47  o 126.7625 13.29153 1.180552       0.2267962     1.115434       0.3255009     1.241993       0.3161786     116.9567 22.58117 126.0889 19.56238 0.000000       0.000000 
1 1 1 13 0  48  o 38.25835 18.67031 0.1580546      0.1163453     0.1679542      0.1708995     0.1495032      0.1588363     39.37629 21.68559 37.47678 20.80951 0.000000       0.000000 
1 1 1 13 0  49  f 35.59172 19.38972 0.1355131      0.1350009     0.4289001      0.2650423     0.3272903E-01  0.1568764     61.32011 28.36587 28.59352 18.17682 0.000000       0.000000 
1 1 1 13 0  50  o 47.55750 23.61179 0.2552980      0.1874038     0.3920086      0.2887424     0.1557932      0.2463381     57.21180 29.11932 40.51416 24.36272 0.000000       0.000000 
1 1 1 13 0  51  f 93.18958 18.38950 0.6981056      0.2104221     0.7523268      0.2630160     0.6016885      0.3507312     92.91278 23.71369 71.24541 32.64678 0.000000       0.000000 
1 1 1 13 0  52  o 36.84954 19.70472 0.1480712      0.1370242     -0.1122517     0.2328340     0.2860022      0.1694810     27.88882 19.08598 51.60795 22.70542 0.000000       0.000000 
1 1 1 13 0  53  o 58.01825 25.27035 0.3667245      0.2100096     0.9764392E-01  0.2926497     0.6524155      0.3015471     39.20573 24.88309 79.17587 29.59016 0.000000       0.000000 
1 1 1 13 0  54  o 88.55969 19.85831 0.6514050      0.2120034     0.6836508      0.2616549     0.5897792      0.3617204     86.30275 25.27775 69.39847 33.04277 0.000000       0.000000 
1 1 1 13 0  55  o 149.2698 13.08608 1.628688       0.2649555     1.772424       0.3820655     1.495519       0.3677516     151.4540 19.09386 137.3612 20.80074 0.000000       0.000000 
1 1 1 13 0  56  o 115.9738 14.08342 1.005985       0.2166706     1.069890       0.3141288     0.9479901      0.2992496     113.8029 22.48483 105.8029 23.42677 0.000000       0.000000 
1 1 1 13 0  57  o 120.1315 14.06582 1.076587       0.2249591     1.593678       0.3286198     0.6205708      0.3086033     144.8880 17.04387 75.43070 30.39209 0.000000       0.000000 
1 1 1 13 0  58  o 102.9738 15.14879 0.8100866      0.2017296     1.174801       0.2952327     0.4906815      0.2762862     122.4976 18.76173 65.89966 28.98997 0.000000       0.000000 
1 1 1 13 0  59  o 239.3263 12.45376 4.117302       0.4090115     4.423820       0.5887282     3.831332       0.5686531     243.3340 17.73824 225.4007 18.56018 0.000000       0.000000 
1 1 1 13 0  60  o 99.00462 15.25914 0.7526520      0.1938617     0.4979776      0.2809646     0.9840725      0.2678303     66.28598 29.23573 111.3406 19.11079 0.000000       0.000000 
1 1 1 13 0  61  o 164.5305 12.93122 1.969621       0.2896069     2.288670       0.4178468     1.674667       0.4017588     173.8032 17.84167 145.1816 21.40666 0.000000       0.000000 
1 1 1 13 0  62  o 80.54642 18.03721 0.5343676      0.1751654     0.6290888      0.2579387     0.4532971      0.2386293     81.12055 26.08987 64.84989 26.82736 0.000000       0.000000 
1 1 1 13 0  63  o 72.13830 19.57974 0.4533302      0.1685865     0.5128245      0.2480543     0.4022600      0.2298228     70.06195 27.03265 60.14740 26.43986 0.000000       0.000000 
1 1 1 13 0  64  o 175.7491 13.18177 2.253515       0.3157558     2.485823       0.4565252     2.040464       0.4371941     179.9207 18.84929 161.0751 20.57384 0.000000       0.000000 
1 1 1 13 0  65  o 100.6433 16.08345 0.7889684      0.2064028     1.169580       0.3030646     0.4597062      0.2818805     120.9578 19.71846 61.98901 29.20814 0.000000       0.000000 
1 1 1 13 0  66  o 182.6758 13.17864 2.442393       0.3284464     3.033345       0.4779465     1.913590       0.4521157     199.6463 17.65479 152.8830 22.93936 0.000000       0.000000 
1 1 1 13 0  67  o 198.5729 13.13298 2.887897       0.3564845     3.625182       0.5183656     2.226311       0.4910344     218.2178 17.46029 164.7771 22.83273 0.000000       0.000000 
1 1 1 13 0  68  o 148.9956 16.18161 1.701940       0.3229602     2.810907       0.5828937     1.210698       0.3879521     183.1136 24.23685 113.6171 28.59156 0.000000       0.000000 
1 1 1 13 0  69  o 224.2422 18.76669 3.943684       0.5717258     4.615423       0.8305702     3.338764       0.7881793     228.9961 27.29019 184.3854 34.49374 0.000000       0.000000 
1 1 1 13 0  70  o 80.31452 22.76182 0.6039324      0.2186484     0.6415361      0.2731454     0.5368565      0.3648064     76.77875 27.98114 60.30442 32.18218 0.000000       0.000000 
1 1 1 13 0  71  o 75.22742 19.88781 0.5106545      0.1784818     0.7087395      0.2608012     0.3361556      0.2447824     84.24315 25.67125 49.97280 26.45265 0.000000       0.000000 
1 1 1 13 0  72  o 17.97751 12.45991 -0.7289580E-01 0.1069872     -0.9980713E-02 0.1836087     -0.1052386     0.1316452     26.91680 17.98253 19.19504 13.42085 0.000000       0.000000 
1 1 1 13 0  73  o 26.22212 17.08736 0.2530590E-01  0.1501902     -0.1276409E-01 0.2099979     0.6516982E-01  0.2148887     28.06340 18.89503 31.52598 20.50538 0.000000       0.000000 
1 1 1 13 0  74  o 25.39849 16.31652 0.3708286E-01  0.1305618     -0.5556615E-01 0.1619363     0.2091794      0.2207038     23.14130 15.85827 38.88877 23.22317 0.000000       0.000000 
1 1 1 13 0  75  o 37.95978 19.86493 0.1891006      0.1368681     0.3341976      0.1943707     0.4639754E-01  0.1927606     48.97307 24.09194 28.68230 18.91984 0.000000       0.000000 
1 1 1 13 0  76  o 24.13108 15.49484 0.4042932E-01  0.1175709     0.6818572E-01  0.1656662     0.1226425E-01  0.1668813     28.05396 18.15611 25.41141 17.02937 0.000000       0.000000 
1 1 1 13 0  77  o 42.42961 21.08392 0.2556354      0.1494771     0.3362505      0.2123858     0.1765109      0.2104130     44.35020 24.26548 33.74326 21.28276 0.000000       0.000000 
1 1 1 13 0  78  o 59.41381 23.00316 0.4602887      0.1793655     0.7329938      0.2569076     0.2009452      0.2505347     70.57732 27.58200 33.00763 21.70423 0.000000       0.000000 
1 1 1 13 0  79  f 28.37142 17.61779 0.1270425      0.1383882     0.8453386E-01  0.1965767     0.1688099      0.1948555     26.69464 18.06429 30.29592 19.63818 0.000000       0.000000 
1 1 1 13 0  80  o 33.36888 19.69589 0.2244204      0.1554672     0.5371550      0.2212677     -0.8050117E-01 0.2184862     50.31198 25.51696 21.71470 15.56160 0.000000       0.000000 
1 1 1 13 0  81  o 29.00905 18.05458 0.1857730      0.1461666     0.3440794      0.2072812     0.2919715E-01  0.2061450     34.06701 21.33445 22.50039 15.94321 0.000000       0.000000 
1 1 1 13 0  82  o 14.24291 10.29161 -0.1028805     0.1049075     -0.1451345     0.1461544     -0.5797400E-01 0.1506718     15.75412 11.47932 17.67407 12.70602 0.000000       0.000000 
1 1 1 13 0  83  o 16.18795 11.52589 -0.1764473E-01 0.1125079     0.9800822E-01  0.1589709     -0.1337039     0.1592499     20.28551 14.30009 15.57253 11.41475 0.000000       0.000000 
1 1 1 13 0  84  o 15.60302 11.19983 0.8717632E-03  0.1151140     0.4510210E-01  0.1638254     -0.4226386E-01 0.1617853     17.17544 12.46990 15.74335 11.53646 0.000000       0.000000 
1 1 1 13 0  85  o 18.33365 13.00803 0.1790112      0.1388570     0.2897491      0.1984898     0.7287347E-01  0.1943234     18.34356 13.36752 15.70848 11.60780 0.000000       0.000000 
1 1 1 13 0  86  o 13.27978 9.757827 0.2000279E-01  0.1217082     0.1605520      0.1743370     -0.1136219     0.1699882     14.79952 10.94043 12.43370 9.279890 0.000000       0.000000 
1 1 1 13 0  87  o 13.19992 9.738107 0.1208669      0.1317156     0.6986521E-02  0.1928951     0.2203512      0.1802909     12.09547 9.022494 13.43630 10.00490 0.000000       0.000000 
1 1 1 13 0  88  o 9.111308 6.797284 -0.1822334     0.1047423     0.3549070E-02  0.2256775     -0.2332405     0.1182500     11.08684 8.296366 9.146166 6.829191 0.000000       0.000000 
1 1 1 13 0  89  o 9.797196 7.316568 -0.2755456E-01 0.1375862     0.7489522E-01  0.1676375     -0.2389907     0.2408271     10.28483 7.689247 9.635166 7.220120 0.000000       0.000000 
1 1 1 13 0  90  o 8.713158 6.516438 -0.5505615E-01 0.1295438     -0.4423827E-01 0.1558659     -0.7922111E-01 0.2329555     8.846933 6.623250 8.916781 6.682738 0.000000       0.000000 
1 1 1 13 0  91  o 7.900219 5.916159 0.9107474E-02  0.1332536     -0.1716401     0.2197172     0.1142694      0.1675934     7.732448 5.795319 8.116331 6.081811 0.000000       0.000000 
1 1 1 13 0  92  o 6.883260 5.158802 0.2093228E-01  0.1546586     0.7370433E-01  0.2179271     -0.3261512E-01 0.2195222     6.922532 5.186792 6.845575 5.129234 0.000000       0.000000 
1 1 1 13 0  93  o 5.586926 4.187243 -0.1650227     0.1001251     -0.2947430     0.1279837     0.3961773E-01  0.1607483     5.568093 4.172913 5.973759 4.476232 0.000000       0.000000 
1 1 1 13 0  94  f 4.950653 3.710085 -0.8625022E-01 0.9371703E-01 -0.2155692     0.1355838     0.3206062E-01  0.1296847     4.936640 3.697668 5.119061 3.835236 0.000000       0.000000 
1 1 1 13 0  95  o 4.274526 3.200859 -0.1636139E-01 0.1121409     -0.3467004E-01 0.1643551     -0.4133508E-03 0.1533941     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 13 0  96  o ?        ?        -0.5655816E-01 0.1031988     -0.1040986     0.1496491     -0.1344942E-01 0.1425033     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 13 0  97  o ?        ?        0.3893813E-01  0.1199930     -0.1253932E-01 0.1756990     0.8393553E-01  0.1642686     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 13 0  98  o ?        ?        0.7726996E-01  0.1304859     0.3784312E-01  0.1897965     0.1126089      0.1796879     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 13 0  99  o ?        ?        0.1908746      0.1636838     0.1824112      0.2772123     0.1954048      0.2028139     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 13 1  0   f 111.5170 18.17779 0.9408260      0.2575833     0.9408260      0.2575833     0.000000       0.000000      111.5170 18.17779 111.5170 18.17779 0.000000       0.000000 
1 1 1 13 1  1   o 119.9249 13.57658 1.030200       0.2208610     0.9923406      0.2693528     1.107888       0.3858458     116.3998 17.28315 120.1878 24.08861 -3.787910      29.64740 
1 1 1 13 1  2   o 62.01872 14.23262 0.2834033      0.1193004     0.3313696      0.1442757     0.1796975      0.2121419     66.83787 15.86946 55.30305 20.65975 11.53482       26.05120 
1 1 1 13 1  3   o 114.4947 13.63806 0.9403964      0.2113710     0.9643905      0.2575596     0.8909026      0.3699149     114.9231 16.72083 106.9767 25.41801 7.946457       30.42468 
1 1 1 13 1  4   o 66.78970 21.67960 0.3232716      0.2287017     0.000000       0.000000      0.3232716      0.2287017     ?        ?        66.78970 21.67960 0.000000       21.67960 
1 1 1 13 1  5   o 115.8828 17.10267 0.9827461      0.2654406     0.8802735      0.3690984     1.092516       0.3820139     106.2923 25.47927 119.3461 24.01269 -13.05381      35.01147 
1 1 1 13 1  6   o 167.1885 13.37176 1.989619       0.3061140     2.080947       0.3728967     1.800893       0.5360456     169.8905 16.08740 152.6722 26.38168 17.21832       30.89980 
1 1 1 13 1  7   o 157.6380 13.45751 1.770894       0.2901235     1.702651       0.3523872     1.914479       0.5111464     153.1703 16.94510 158.8629 24.05426 -5.692581      29.42352 
1 1 1 13 1  8   o 154.6580 13.45628 1.705113       0.2845021     1.780472       0.3459953     1.547789       0.4999200     156.9828 16.19433 141.1292 26.62981 15.85367       31.16734 
1 1 1 13 1  9   o 138.0851 11.61914 1.350363       0.2194843     1.490704       0.3098034     1.208941       0.3109953     143.6294 15.88687 128.3403 18.04768 15.28918       24.04395 
1 1 1 13 1  10  o 186.8151 16.54609 2.519832       0.4224049     2.635322       0.6049854     2.409980       0.5900365     186.7587 24.01640 178.0974 24.65413 8.661224       34.41822 
1 1 1 13 1  11  o 128.1152 17.06154 1.197845       0.2943221     1.589851       0.4265277     0.8415225      0.4066520     145.5944 21.89375 102.9954 27.90176 42.59908       35.46610 
1 1 1 13 1  12  o 240.8644 13.47460 4.121072       0.4463561     4.461090       0.7818271     3.956655       0.5436671     243.8912 23.50648 234.1102 16.93225 9.781021       28.96991 
1 1 1 13 1  13  o 165.4075 11.69591 1.935061       0.2654105     2.290828       0.3790043     1.592702       0.3717938     178.4827 15.53324 147.2319 18.71039 31.25079       24.31790 
1 1 1 13 1  14  o 161.9215 13.53683 1.869916       0.2998867     2.143241       0.5208667     1.734388       0.3667760     168.6996 22.95629 154.2501 17.53162 14.44946       28.88510 
1 1 1 13 1  15  o 164.3203 13.54216 1.925780       0.3045312     1.923559       0.5262805     1.926898       0.3733933     158.5475 24.85632 162.9742 16.83500 -4.426697      30.02089 
1 1 1 13 1  16  o 123.1321 14.24755 1.090846       0.2377675     1.192887       0.2908277     0.8851687      0.4128979     127.8348 16.88944 105.4239 27.92113 22.41087       32.63193 
1 1 1 13 1  17  o 208.4499 11.72997 3.070097       0.3362543     3.352107       0.4794966     2.797217       0.4716708     215.6450 16.22190 196.1550 17.60142 19.48996       23.93658 
1 1 1 13 1  18  o 329.3791 11.83042 7.646978       0.5380641     6.811269       0.7547193     8.510808       0.7673122     306.3806 17.91768 344.4661 16.13198 -38.08554      24.10983 
1 1 1 13 1  19  o 167.7843 11.80636 1.993667       0.2717868     2.140769       0.3865379     1.849827       0.3822274     171.9032 16.48657 159.1273 17.69528 12.77591       24.18532 
1 1 1 13 1  20  o 224.5571 11.76405 3.564161       0.3635032     4.029760       0.5195408     3.117665       0.5087705     236.5308 16.00134 206.7766 17.99848 29.75415       24.08294 
1 1 1 13 1  21  o 127.5150 12.12946 1.157760       0.2109974     1.114074       0.3001791     1.200423       0.2966433     122.7741 18.26281 127.9690 17.22527 -5.194893      25.10458 
1 1 1 13 1  22  o 172.1589 11.82708 2.100451       0.2794491     2.337758       0.3974062     1.868340       0.3930315     179.7072 16.18894 159.5504 18.16361 20.15683       24.33102 
1 1 1 13 1  23  o 264.7007 9.507614 4.907308       0.3475078     4.768042       0.4904974     5.047661       0.4924087     258.5634 13.78804 266.2685 13.43605 -7.705139      19.25195 
1 1 1 13 1  24  o 191.4631 9.479960 2.567884       0.2506280     2.422163       0.3535608     2.715067       0.3553288     183.9022 14.02904 195.1222 13.26700 -11.22003      19.30874 
1 1 1 13 1  25  o 267.8347 9.558072 5.027817       0.3534884     5.320699       0.5020101     4.739789       0.4978324     273.6260 13.28670 257.4794 14.05555 16.14658       19.34154 
1 1 1 13 1  26  o 173.5315 10.56212 2.125836       0.2518814     2.166257       0.3249665     2.065007       0.3986477     173.9191 13.64114 167.8898 17.45097 6.029205       22.14987 
1 1 1 13 1  27  o 206.6377 11.85515 3.029071       0.3368482     2.861992       0.4761621     3.196449       0.4765886     197.6796 17.62938 209.6501 16.59877 -11.97060      24.21392 
1 1 1 13 1  28  o 116.5614 10.91444 0.9657513      0.1736234     0.9183955      0.2225368     1.039422       0.2775626     112.3516 14.69678 118.4491 17.49708 -6.097519      22.85045 
1 1 1 13 1  29  o 129.2666 9.758185 1.180224       0.1728943     1.111477       0.2442251     1.249292       0.2447949     123.7291 14.57443 131.6343 13.66698 -7.905220      19.97999 
1 1 1 13 1  30  o 150.0681 8.315596 1.579971       0.1716402     1.590207       0.2443310     1.569998       0.2411718     149.3058 11.95142 148.3806 11.87033 0.9252014      16.84462 
1 1 1 13 1  31  o 89.54794 11.35693 0.5760500      0.1372719     0.4956072      0.1783677     0.6929085      0.2149824     81.28491 16.45616 96.35975 16.76625 -15.07484      23.49282 
1 1 1 13 1  32  o 104.1246 12.73771 0.7838336      0.1793209     0.4929188      0.2584159     1.054021       0.2490399     79.15827 22.55112 119.8177 15.40969 -40.65946      27.31321 
1 1 1 13 1  33  o 89.17473 10.42467 0.5688285      0.1259410     0.3761711      0.2223959     0.6597771      0.1528030     69.83643 21.20178 95.68009 11.81678 -25.84367      24.27245 
1 1 1 13 1  34  o 124.2300 9.801649 1.094647       0.1667713     1.028328       0.2358547     1.160961       0.2358457     118.4299 14.74172 126.3931 13.73452 -7.963150      20.14834 
1 1 1 13 1  35  o 109.0029 9.311637 0.8425122      0.1388082     0.8223078      0.1850204     0.8685261      0.2099417     106.4365 12.84894 108.8043 14.32183 -2.367752      19.24084 
1 1 1 13 1  36  o 104.9231 8.764700 0.7792259      0.1258204     0.6907862      0.1786739     0.8662212      0.1772090     97.02366 13.71918 109.5744 11.90368 -12.55076      18.16352 
1 1 1 13 1  37  o 109.7236 8.814703 0.8526358      0.1324234     0.8028662      0.1882026     0.9014361      0.1863609     104.7962 13.30583 111.5537 12.30320 -6.757507      18.12219 
1 1 1 13 1  38  o 144.7974 8.559525 1.480430       0.1703783     1.319620       0.2413492     1.640182       0.2405553     134.6538 13.14820 151.0562 11.62210 -16.40242      17.54846 
1 1 1 13 1  39  o 80.73167 9.586752 0.4673775      0.1047806     0.4628749      0.1498372     0.4716865      0.1465808     78.63396 14.32765 79.59167 13.83988 -0.9577103     19.92043 
1 1 1 13 1  40  o 94.19502 9.270431 0.6334447      0.1190152     0.6755832      0.1703463     0.5932598      0.1663506     95.74757 13.23866 89.32513 13.94235 6.422432       19.22631 
1 1 1 13 1  41  o 64.70747 10.89945 0.3067760      0.9392495E-01 0.3881636      0.1351605     0.2307693      0.1306159     71.75862 14.14360 54.98007 16.14423 16.77855       21.46340 
1 1 1 13 1  42  o 67.71069 10.81157 0.3354202      0.9768403E-01 0.3527204      0.1406396     0.3192949      0.1357806     67.78928 15.37801 64.42351 15.46055 3.365768       21.80623 
1 1 1 13 1  43  o 41.63914 12.59330 0.1277161      0.7857147E-01 0.1853571      0.1136569     0.7495453E-01  0.1087398     49.59811 15.17764 37.70233 14.61969 11.89578       21.07359 
1 1 1 13 1  44  o 65.98241 11.21508 0.3211576      0.9852361E-01 0.3702084      0.1411872     0.2746011      0.1375508     69.36516 15.16365 59.36839 16.28790 9.996765       22.25381 
1 1 1 13 1  45  o 78.30231 10.43430 0.4465871      0.1100093     0.3603085      0.1563139     0.5312571      0.1548499     67.64726 16.80862 83.99646 13.83256 -16.34920      21.76854 
1 1 1 13 1  46  o 133.4829 8.972448 1.272048       0.1644160     1.153935       0.2333070     1.388579       0.2317396     124.3494 13.82157 137.5304 12.33398 -13.18102      18.52465 
1 1 1 13 1  47  o 71.51250 11.66636 0.3793690      0.1112282     0.2983453      0.1478482     0.4850253      0.1688332     61.39185 16.90456 78.91195 16.04113 -17.52010      23.30412 
1 1 1 13 1  48  o 67.18011 12.89017 0.3409397      0.1152252     0.3337412      0.1635789     0.3480291      0.1623342     64.49555 17.79016 65.93746 17.52816 -1.441910      24.97452 
1 1 1 13 1  49  o 71.34264 12.38415 0.3816180      0.1175733     0.3406137      0.2025936     0.4024412      0.1443727     64.38380 20.35381 72.08932 14.99223 -7.705521      25.27933 
1 1 1 13 1  50  o 82.58748 12.15713 0.5078127      0.1344905     0.3999272      0.1915416     0.6127240      0.1888828     69.71707 19.25910 88.69383 16.01192 -18.97676      25.04585 
1 1 1 13 1  51  o 122.3089 10.78420 1.089833       0.1802668     1.071969       0.2230419     1.123481       0.3061171     119.3749 13.78461 117.7132 19.51692 1.661636       23.89405 
1 1 1 13 1  52  o 166.8181 11.39593 2.034496       0.2609303     1.302831       0.4183058     2.500515       0.3338409     120.1211 25.97565 183.2207 13.28582 -63.09956      29.17614 
1 1 1 13 1  53  o 146.2738 10.65175 1.555857       0.2136641     0.8471666      0.3775791     1.889695       0.2591476     94.33380 27.37727 160.3839 11.78420 -66.05011      29.80574 
1 1 1 13 1  54  o 247.7707 9.311218 4.397374       0.3185623     4.013379       0.4202066     4.916320       0.4884966     232.2759 13.15553 256.1323 13.86369 -23.85641      19.11204 
1 1 1 13 1  55  o 103.9454 10.48063 0.7882493      0.1483756     0.7322058      0.1982708     0.8595847      0.2236912     97.36080 15.24870 105.1581 15.90176 -7.797272      22.03154 
1 1 1 13 1  56  o 123.7885 9.336035 1.103569       0.1584065     1.012455       0.2263129     1.191082       0.2217965     115.2505 14.54482 126.3373 12.89484 -11.08679      19.43782 
1 1 1 13 1  57  o 145.3083 9.046657 1.514794       0.1806163     1.508310       0.2578035     1.521045       0.2531210     141.9611 13.30697 142.8320 12.97565 -0.8708801     18.58610 
1 1 1 13 1  58  o 100.1325 9.773879 0.7267208      0.1334157     0.6890870      0.1911404     0.7624762      0.1863089     94.48256 15.16373 100.3326 13.81417 -5.850006      20.51268 
1 1 1 13 1  59  o 149.8659 9.021036 1.610195       0.1858099     1.482733       0.2644754     1.734431       0.2611067     140.3662 13.82480 153.0485 12.46348 -12.68236      18.61353 
1 1 1 13 1  60  o 86.20303 10.34246 0.5432793      0.1206498     0.5800068      0.1737172     0.5090557      0.1676913     86.58051 15.07856 80.68800 15.61541 5.892517       21.70724 
1 1 1 13 1  61  o 90.40910 10.26210 0.5967877      0.1258413     0.5828161      0.1810047     0.6098590      0.1750763     86.32808 15.76542 88.96803 14.76927 -2.639946      21.60277 
1 1 1 13 1  62  o 110.8525 9.694348 0.8898912      0.1468969     0.8498923      0.2099039     0.9282848      0.2056486     105.1418 14.87298 110.7383 13.74452 -5.596527      20.25135 
1 1 1 13 1  63  o 82.43827 10.93492 0.5021287      0.1214034     0.4590715      0.1737481     0.5432047      0.1697040     75.42774 17.07914 83.36128 15.30722 -7.933540      22.93487 
1 1 1 13 1  64  o 98.47930 10.22052 0.7094245      0.1369571     0.5703466      0.1955135     0.8434228      0.1919100     83.87047 17.45036 105.3858 13.49816 -21.51534      22.06162 
1 1 1 13 1  65  o 94.11436 10.51095 0.6522657      0.1342622     0.6212203      0.1926966     0.6815572      0.1871747     88.07635 16.44936 93.37512 15.02681 -5.298767      22.27974 
1 1 1 13 1  66  o 79.13174 11.35990 0.4695628      0.1205664     0.4595553      0.1738237     0.4788413      0.1673725     74.68192 17.20961 76.92926 16.26486 -2.247337      23.67945 
1 1 1 13 1  67  o 155.2306 10.05315 1.767968       0.2143276     1.646532       0.2862257     1.922969       0.3233724     145.3438 14.45349 156.2441 15.18023 -10.90030      20.96051 
1 1 1 13 1  68  o 103.1565 12.00273 0.8096763      0.1677716     0.9088808      0.2430860     0.7194366      0.2318428     104.3543 17.48868 91.15346 19.03407 13.20080       25.84859 
1 1 1 13 1  69  o 144.9916 12.21406 1.609581       0.2422574     2.038673       0.3870221     1.333142       0.3106416     154.0085 18.57413 124.2712 18.68101 29.73727       26.34347 
1 1 1 13 1  70  o 71.93037 13.21803 0.4128846      0.1264477     0.3571127      0.1682988     0.4851751      0.1916082     62.93708 18.28152 73.15136 18.85138 -10.21428      26.26001 
1 1 1 13 1  71  o 77.10831 12.96833 0.4760000      0.1331767     0.6106689      0.1795414     0.3112661      0.1985740     84.74188 15.92841 56.79752 20.17014 27.94436       25.70114 
1 1 1 13 1  72  o 59.18129 16.23884 0.3128521      0.1367122     0.1197547      0.2171003     0.4397418      0.1759890     44.05564 19.15059 68.42587 18.27940 -24.37023      26.47416 
1 1 1 13 1  73  o 23.67405 10.95523 -0.4499715E-01 0.8461293E-01 0.3611864E-01  0.1359588     -0.9627430E-01 0.1080977     34.30379 15.02767 24.48436 11.65345 9.819429       19.01666 
1 1 1 13 1  74  o 51.18095 14.68377 0.2367665      0.1091809     0.2742671      0.1477282     0.1916269      0.1620777     52.46530 17.44330 45.03501 17.73621 7.430290       24.87653 
1 1 1 13 1  75  o 61.24727 13.42712 0.3306582      0.1104247     0.4367310      0.1593486     0.2326604      0.1531631     65.69627 17.31970 47.07097 17.56041 18.62530       24.66455 
1 1 1 13 1  76  o 30.96567 12.56482 0.6737249E-01  0.8383565E-01 -0.6581465E-01 0.1218504     0.1870914      0.1155253     26.19545 12.44014 43.00153 15.37245 -16.80607      19.77547 
1 1 1 13 1  77  o 45.71947 14.31621 0.2132575      0.1004650     0.1657618      0.1451531     0.2569322      0.1391922     38.90847 16.23311 46.41289 16.83751 -7.504421      23.38837 
1 1 1 13 1  78  o 24.15633 11.12113 -0.6025583E-02 0.8558235E-01 0.1987017      0.1253518     -0.1847763     0.1171296     40.24300 15.67108 20.78536 10.34517 19.45765       18.77779 
1 1 1 13 1  79  o 30.87745 12.94200 0.9596736E-01  0.9288169E-01 0.1539765      0.1356495     0.4476445E-01  0.1274434     34.41640 15.04546 28.57113 13.29791 5.845274       20.07985 
1 1 1 13 1  80  o 40.70850 14.89046 0.2388335      0.1091852     0.2904487      0.1574846     0.1910597      0.1515110     38.25964 16.47041 33.34968 15.14088 4.909958       22.37232 
1 1 1 13 1  81  o 35.96760 14.14306 0.2096114      0.1029089     0.7241978E-01  0.1488105     0.3353557      0.1424669     26.50560 12.87772 39.34085 16.21879 -12.83526      20.70954 
1 1 1 13 1  82  o 28.14645 12.51289 0.1444160      0.9758534E-01 0.5419809E-01  0.1417340     0.2257302      0.1345584     23.60853 11.68618 29.56183 13.72734 -5.953304      18.02794 
1 1 1 13 1  83  o 21.92601 10.46512 0.7252548E-01  0.8846861E-01 0.3387569E-01  0.1278681     0.1080154      0.1225296     20.77188 10.40954 22.62156 11.13448 -1.849676      15.24254 
1 1 1 13 1  84  o 18.41409 9.095683 0.3721321E-01  0.8426065E-01 -0.7681613E-01 0.1215572     0.1426798      0.1169041     16.84444 8.612968 20.85933 10.37436 -4.014889      13.48372 
1 1 1 13 1  85  o 17.05777 8.543630 0.5531879E-01  0.8559509E-01 0.1410536      0.1239126     -0.2292647E-01 0.1183766     18.06224 9.186632 15.85739 8.136299 2.204856       12.27166 
1 1 1 13 1  86  o 15.38049 7.840464 0.7142367E-01  0.9428827E-01 0.7052542E-01  0.1263724     0.7255162E-01  0.1416127     15.09971 7.776869 15.04675 7.769701 0.5296135E-01  10.99309 
1 1 1 13 1  87  o 11.98550 6.174086 -0.6192394E-01 0.8020020E-01 -0.1300395     0.1072760     0.2438786E-01  0.1207576     11.96899 6.204448 13.09539 6.782106 -1.126401      9.191960 
1 1 1 13 1  88  o 12.38054 6.421094 0.1045434      0.1193475     0.2795618      0.1954989     0.5673169E-03  0.1506848     12.46556 6.489010 11.86351 6.170650 0.6020546      8.954561 
1 1 1 13 1  89  o 11.32465 5.887125 0.1625234      0.1259090     0.4425616E-01  0.2027780     0.2367304      0.1606241     10.82800 5.639401 11.28782 5.875951 -0.4598198     8.144301 
1 1 1 13 1  90  o 9.258276 4.812545 -0.6424693E-01 0.8305123E-01 -0.6182739E-01 0.1033677     -0.6865339E-01 0.1394961     9.407248 4.895562 9.513116 4.954229 -0.1058674     6.964978 
1 1 1 13 1  91  o 8.448037 4.399084 0.1379070E-01  0.1013549     0.1507594      0.1598795     -0.7824203E-01 0.1310550     8.591087 4.472616 8.308870 4.326938 0.2822170      6.223077 
1 1 1 13 1  92  o 7.408535 3.857859 0.5834857E-01  0.1088827     0.1070446      0.1695440     0.2416725E-01  0.1420463     7.398930 3.845000 7.350503 3.823568 0.4842663E-01  5.422518 
1 1 1 13 1  93  o 6.305952 3.282265 0.2881973E-01  0.9227120E-01 0.1095674      0.1225727     -0.7678311E-01 0.1401737     6.355295 3.303210 ?        ?        0.000000       3.303210 
1 1 1 13 1  94  o 5.372586 2.791623 0.8853863E-01  0.9066597E-01 0.6378524E-01  0.1286772     0.1129441      0.1277697     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 1  95  o ?        ?        0.2955888E-01  0.8676469E-01 -0.5348320E-02 0.1231854     0.6392545E-01  0.1222278     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 1  96  o ?        ?        0.7564902E-01  0.9237453E-01 -0.2114684E-01 0.1307372     0.1721496      0.1305377     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 1  97  o ?        ?        -0.5983928E-01 0.7631919E-01 0.4740601E-01  0.1086700     -0.1642186     0.1072081     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 1  98  o ?        ?        0.7456366E-01  0.9173132E-01 0.9910843E-01  0.1305517     0.5062892E-01  0.1289191     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 1  99  o ?        ?        -0.5651053E-01 0.1033850     -0.2058440E-01 0.1458800     -0.9276207E-01 0.1465391     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 2  1   o 68.68121 21.32209 0.3491952      0.2233930     0.3491952      0.2233930     0.000000       0.000000      68.68121 21.32209 ?        ?        0.000000       21.32209 
1 1 1 13 2  2   o 58.88103 19.85898 0.2412169      0.1914327     0.2412169      0.1914327     0.000000       0.000000      58.88103 19.85898 ?        ?        0.000000       19.85898 
1 1 1 13 2  3   o 182.5463 16.55816 2.408352       0.4128302     1.703086       0.5799399     3.132863       0.5877997     146.1152 29.75513 205.7432 20.98398 -59.62799      36.41010 
1 1 1 13 2  4   o 160.8313 13.35482 1.843243       0.2939005     1.625142       0.5082331     1.952821       0.3602433     144.6684 26.41538 164.4568 16.06908 -19.78839      30.91905 
1 1 1 13 2  5   o 152.0764 11.51142 1.635958       0.2399379     1.416399       0.3373403     1.860756       0.3413419     139.0342 17.99361 160.7070 15.57775 -21.67276      23.79992 
1 1 1 13 2  6   o 193.1917 11.52155 2.635041       0.3059548     2.142970       0.4289929     3.144427       0.4364749     171.1790 18.44043 209.4466 15.19546 -38.26762      23.89458 
1 1 1 13 2  7   o 227.0506 11.54248 3.636781       0.3606848     3.461941       0.5085374     3.813765       0.5116475     218.8297 16.96232 230.1823 16.20091 -11.35257      23.45612 
1 1 1 13 2  8   o 181.6904 11.56796 2.332350       0.2887095     2.585268       0.4091914     2.081631       0.4074083     189.5186 15.77982 169.0231 17.71956 20.49553       23.72732 
1 1 1 13 2  9   o 125.9242 11.78281 1.126095       0.2024965     1.206154       0.2853696     1.044900       0.2873877     128.7469 16.42648 119.0757 18.04398 9.671173       24.40112 
1 1 1 13 2  10  o 86.94957 12.29678 0.5433263      0.1435194     0.6135017      0.2011547     0.4705634      0.2048293     91.17882 16.58821 78.99503 19.00860 12.18379       25.22886 
1 1 1 13 2  11  o 183.4145 11.63979 2.378030       0.2932654     2.483997       0.4152441     2.272576       0.4142375     185.3967 16.38929 176.8891 17.17592 8.507538       23.74071 
1 1 1 13 2  12  o 158.9969 13.62812 1.805449       0.2963090     1.575458       0.5128556     1.920691       0.3630327     141.7380 27.19331 162.8644 16.36430 -21.12639      31.73746 
1 1 1 13 2  13  o 109.1084 14.12866 0.8591287      0.2078626     0.8372045      0.3634061     0.8697894      0.2534092     103.2711 25.61003 108.5996 17.49297 -5.328491      31.01415 
1 1 1 13 2  14  o 167.5812 13.59681 2.004905       0.3119173     1.801445       0.3815104     2.415101       0.5417041     156.9010 17.93137 179.3216 22.36324 -22.42062      28.66441 
1 1 1 13 2  15  o 251.1644 13.58507 4.489587       0.4693970     4.917177       0.5803842     3.680982       0.7981237     261.2839 16.16603 217.9312 27.10818 43.35265       31.56255 
1 1 1 13 2  16  o 166.6663 11.83852 1.968271       0.2706755     2.197877       0.3867868     1.747910       0.3789203     174.2499 16.26336 154.3730 18.12083 19.87686       24.34874 
1 1 1 13 2  17  o 107.5973 12.34123 0.8280556      0.1800409     0.9212319      0.2567495     0.7379130      0.2525353     111.8682 17.16980 99.15806 19.13726 12.71012       25.71063 
1 1 1 13 2  18  o 177.2157 13.67246 2.244018       0.3319838     2.693463       0.5803869     2.025453       0.4047346     188.9883 22.69433 166.3231 17.90513 22.66521       28.90720 
1 1 1 13 2  19  o 165.9071 13.75209 1.969708       0.3122039     2.258155       0.5443764     1.828336       0.3811082     172.2761 23.49707 157.9590 17.78218 14.31709       29.46723 
1 1 1 13 2  20  f 125.2242 12.11754 1.117872       0.2069073     0.9632815      0.2911309     1.275647       0.2941142     113.4602 19.27202 132.1781 16.47200 -18.71790      25.35227 
1 1 1 13 2  21  o 113.9665 12.31931 0.9289098      0.1907814     1.001136       0.2694926     0.8563467      0.2701198     116.5244 17.27211 106.9113 18.99346 9.613129       25.67250 
1 1 1 13 2  22  o 145.0318 12.02784 1.496854       0.2386997     1.394981       0.3366998     1.599790       0.3384517     137.3913 18.19550 147.9136 16.87303 -10.52228      24.81482 
1 1 1 13 2  23  o 135.9641 9.798674 1.303653       0.1827295     1.209002       0.2598837     1.396200       0.2569777     129.1677 14.84048 139.4509 13.51517 -10.28323      20.07237 
1 1 1 13 2  24  o 204.0117 9.582886 2.919570       0.2699537     3.083828       0.3856463     2.761750       0.3780125     207.6602 13.52301 196.2059 14.04553 11.45425       19.49740 
1 1 1 13 2  25  o 123.4612 9.999442 1.077778       0.1690043     0.9338080      0.2413986     1.216182       0.2366874     112.8101 15.94111 130.0427 13.37158 -17.23264      20.80669 
1 1 1 13 2  26  o 88.84529 10.70145 0.5639290      0.1286438     0.6336377      0.1860044     0.5000105      0.1781117     92.85535 15.01988 81.83045 16.33517 11.02490       22.19087 
1 1 1 13 2  27  o 178.0275 10.75402 2.243814       0.2631191     2.411669       0.3440379     2.007283       0.4083977     183.2030 13.69904 164.5496 18.28328 18.65344       22.84605 
1 1 1 13 2  28  o 202.8983 10.69579 2.913637       0.2986017     2.957973       0.3892404     2.850231       0.4654885     202.6966 13.99268 196.8506 17.30075 5.845963       22.25109 
1 1 1 13 2  29  o 113.4132 12.72541 0.9276206      0.1958466     0.7768177      0.2823347     1.067480       0.2718978     100.0807 21.09531 119.9371 16.88522 -19.85638      27.02079 
1 1 1 13 2  30  o 114.0343 11.40360 0.9307663      0.1771550     1.145454       0.2886716     0.8010634      0.2243756     123.9712 17.33777 103.8657 16.17085 20.10548       23.70854 
1 1 1 13 2  31  o 146.5773 9.990461 1.522256       0.2009986     1.526376       0.2877081     1.518328       0.2809231     144.7232 14.59649 144.5065 14.26485 0.2167206      20.40940 
1 1 1 13 2  32  o 117.2216 11.34739 0.9846808      0.1813726     1.157755       0.2921930     0.8761944      0.2313350     124.2783 17.51250 108.6370 15.89138 15.64135       23.64791 
1 1 1 13 2  33  o 134.6272 12.42559 1.306390       0.2283807     1.329313       0.3298445     1.285282       0.3165253     132.5545 18.52727 130.6042 18.03243 1.950272       25.85398 
1 1 1 13 2  34  o 125.1445 11.30383 1.123335       0.1932244     1.100090       0.2542826     1.155097       0.2972397     121.9096 15.45256 123.5781 17.94369 -1.668510      23.68032 
1 1 1 13 2  35  o 201.4398 9.866213 2.871330       0.2744313     2.873709       0.3912695     2.869028       0.3850150     198.3976 14.38002 198.4084 14.14600 -0.1075745E-01 20.17162 
1 1 1 13 2  36  o 123.4780 11.50591 1.098171       0.1939183     1.028778       0.3091311     1.143194       0.2490038     114.7618 20.24788 124.3817 14.78791 -9.619812      25.07307 
1 1 1 13 2  37  o 98.81024 11.23012 0.7057644      0.1505013     0.8895314      0.2168286     0.5349206      0.2090656     109.4416 14.72156 82.65613 18.74857 26.78551       23.83764 
1 1 1 13 2  38  o 158.9412 9.281824 1.793659       0.2028223     1.889808       0.2682838     1.665406       0.3098544     161.6212 12.10951 149.7264 15.19786 11.89474       19.43232 
1 1 1 13 2  39  o 132.5751 9.558995 1.253177       0.1738157     1.296579       0.2291153     1.194329       0.2667881     133.3450 12.59249 126.1528 15.65174 7.192146       20.08850 
1 1 1 13 2  40  o 148.7117 8.684800 1.568280       0.1775623     1.595984       0.2522936     1.541089       0.2499449     147.9937 12.46194 145.3405 12.57831 2.653198       17.70633 
1 1 1 13 2  41  o 132.3947 8.865818 1.246796       0.1611427     1.305046       0.2288341     1.189497       0.2269578     133.5432 12.55717 127.1242 13.11796 6.418976       18.15939 
1 1 1 13 2  42  o 128.4115 8.839859 1.174139       0.1557879     1.090089       0.2199506     1.258751       0.2206859     121.3943 13.34176 131.1469 12.33129 -9.752678      18.16765 
1 1 1 13 2  43  o 106.9090 9.163494 0.8182023      0.1339664     0.7577057      0.1881341     0.8804309      0.1908083     100.5810 13.91913 109.0920 12.91764 -8.510963      18.98968 
1 1 1 13 2  44  o 111.8492 9.845143 0.9006988      0.1505027     0.8664875      0.1973605     0.9482397      0.2326532     107.7596 13.56430 111.5621 15.52334 -3.802536      20.61467 
1 1 1 13 2  45  o 107.5825 10.66008 0.8404859      0.1562736     0.8068206      0.2164721     0.8771261      0.2258336     102.5048 15.80177 106.9727 15.76128 -4.467865      22.31847 
1 1 1 13 2  46  o 76.34675 11.27294 0.4298179      0.1152660     0.4469461      0.1719474     0.4158391      0.1553368     75.13689 16.97361 72.96317 15.86994 2.173729       23.23701 
1 1 1 13 2  47  f 76.37381 10.29590 0.4261391      0.1058122     0.4748885      0.1478357     0.3749334      0.1515143     78.95649 14.07595 68.98793 16.18452 9.968559       21.44927 
1 1 1 13 2  48  o 157.4129 9.341370 1.776872       0.2021348     1.904119       0.3064640     1.678889       0.2689243     159.3129 14.07607 150.3506 13.08393 8.962265       19.21783 
1 1 1 13 2  49  o 148.1173 11.27867 1.601886       0.2289420     1.799402       0.2929060     1.291734       0.3670404     154.9594 13.83450 123.7686 22.29670 31.19086       26.23997 
1 1 1 13 2  50  o 63.32914 15.08084 0.3137924      0.1299856     0.1723810      0.1670413     0.5308748      0.2069636     49.57237 18.36925 80.51863 18.93312 -30.94626      26.37977 
1 1 1 13 2  51  o 115.6427 10.98475 0.9779700      0.1733009     0.7485042      0.3006201     1.092184       0.2120894     92.17592 23.53674 121.0295 12.88915 -28.85354      26.83484 
1 1 1 13 2  52  o 88.11223 10.73905 0.5695173      0.1279563     0.6184170      0.1903360     0.5291936      0.1728414     88.84464 16.10817 82.22532 15.79721 6.619324       22.56158 
1 1 1 13 2  53  o 102.0319 11.00597 0.7637082      0.1526058     0.7360241      0.2130052     0.7929043      0.2187437     96.76955 16.53480 100.6788 16.29125 -3.909241      23.21216 
1 1 1 13 2  54  o 94.35649 10.62435 0.6516485      0.1360157     0.5853975      0.1788092     0.7426240      0.2095345     86.72043 15.50136 97.46964 16.13287 -10.74921      22.37324 
1 1 1 13 2  55  o 138.3263 9.114671 1.374013       0.1731185     1.366612       0.2429027     1.381654       0.2467967     135.1799 13.18084 135.8094 13.33236 -0.6295624     18.74797 
1 1 1 13 2  56  o 90.59769 10.04517 0.5976211      0.1235492     0.5154135      0.1725549     0.6840985      0.1769792     80.97768 15.99946 94.89108 13.92091 -13.91341      21.20788 
1 1 1 13 2  57  o 75.92773 10.84622 0.4251816      0.1104831     0.3929861      0.1533229     0.4599556      0.1593443     70.43017 16.11465 76.63315 15.58912 -6.202980      22.42103 
1 1 1 13 2  58  o 49.05873 12.84840 0.1843599      0.8807006E-01 0.1386457      0.1209252     0.2359978      0.1285214     44.28895 15.73877 54.71725 15.99923 -10.42830      22.44291 
1 1 1 13 2  59  o 75.50342 11.09916 0.4218792      0.1122629     0.4883821      0.1563123     0.3510348      0.1613341     79.44621 14.79328 65.85648 17.45860 13.58972       22.88327 
1 1 1 13 2  60  o 87.41484 10.24383 0.5583363      0.1213031     0.5380229      0.1693331     0.5797485      0.1738532     83.11694 15.31856 86.47529 15.10969 -3.358345      21.51653 
1 1 1 13 2  61  o 103.7723 9.830539 0.7818251      0.1391832     0.7663208      0.1950361     0.7979150      0.1986842     99.94209 14.56065 102.0448 14.50912 -2.102715      20.55546 
1 1 1 13 2  62  o 79.77632 10.91904 0.4708174      0.1171237     0.4185134      0.1641021     0.5251263      0.1672177     72.05480 16.80254 81.85844 15.35796 -9.803635      22.76384 
1 1 1 13 2  63  o 98.36502 10.04618 0.7069671      0.1345368     0.7252504      0.1898637     0.6885290      0.1906663     96.79716 14.66428 93.89163 15.22813 2.905525       21.14089 
1 1 1 13 2  64  o 103.1262 10.03440 0.7783397      0.1410792     0.6640427      0.1996680     0.8922893      0.1993644     91.01264 16.49539 107.9983 13.67521 -16.98566      21.42683 
1 1 1 13 2  65  o 64.22709 13.23151 0.3208911      0.1134401     0.4576302      0.1516965     0.1474099      0.1708659     75.91975 15.00243 46.82356 18.27881 29.09618       23.64715 
1 1 1 13 2  66  o 94.99220 12.21743 0.6860995      0.1565385     0.7637916      0.2234185     0.6111811      0.2193940     95.99866 17.49927 84.05785 19.30845 11.94082       26.05840 
1 1 1 13 2  67  o 78.01268 12.43663 0.4701580      0.1294711     0.6250720      0.2000796     0.3585598      0.1698188     86.12964 17.42183 64.12836 18.28515 22.00128       25.25602 
1 1 1 13 2  68  o 125.1527 10.45187 1.171223       0.1789697     1.359969       0.2747046     1.032028       0.2359057     129.0055 15.74817 112.4029 15.62160 16.60263       22.18196 
1 1 1 13 2  69  o 108.4565 13.27625 0.9311107      0.1946728     1.093531       0.2520280     0.6908614      0.3065202     113.9079 16.50430 79.24083 25.03428 34.66704       29.98512 
1 1 1 13 2  70  o 46.76656 15.85578 0.1858770      0.1220394     0.1260133      0.1605300     0.2678522      0.1878521     42.59610 17.34793 53.43356 19.53350 -10.83746      26.12486 
1 1 1 13 2  71  o 86.75848 13.28536 0.6137393      0.1540884     0.3665819      0.2680457     0.7357284      0.1883139     57.38708 22.74263 93.04121 15.18144 -35.65413      27.34416 
1 1 1 13 2  72  o 63.39217 14.06765 0.3444814      0.1199222     0.4884118      0.1855194     0.2411725      0.1571744     70.41418 18.74759 50.00369 17.92479 20.41049       25.93781 
1 1 1 13 2  73  o 51.60067 14.46082 0.2399556      0.1071686     0.1482276      0.1447180     0.3513410      0.1594726     41.48806 16.62222 58.74137 17.97879 -17.25332      24.48540 
1 1 1 13 2  74  o 43.78544 14.06013 0.1762586      0.9638570E-01 0.9249431E-01  0.1387198     0.2544450      0.1340215     36.45781 15.57020 49.95035 16.61473 -13.49254      22.77016 
1 1 1 13 2  75  o 38.68650 13.73293 0.1395555      0.9204255E-01 0.1273902      0.1333285     0.1506319      0.1272218     37.54968 15.60284 39.28817 15.63707 -1.738495      22.08996 
1 1 1 13 2  76  o 31.61833 12.73786 0.8172874E-01  0.8549554E-01 0.7101473E-01  0.1248607     0.9118611E-01  0.1173101     32.37337 14.28418 33.41793 14.29632 -1.044559      20.20947 
1 1 1 13 2  77  o 31.82313 12.88521 0.9350531E-01  0.8796350E-01 0.4329918E-02  0.1287047     0.1716719      0.1204987     28.02906 13.14885 38.09338 15.20040 -10.06432      20.09837 
1 1 1 13 2  78  o 22.35803 10.28068 -0.2065078E-02 0.7283298E-01 -0.1071207     0.1106712     0.7819490E-01  0.9673294E-01 21.63202 10.63470 29.46812 12.79632 -7.836100      16.63859 
1 1 1 13 2  79  o 28.04716 12.21715 0.8024991E-01  0.8872978E-01 0.9096720E-01  0.1310205     0.7117069E-01  0.1205928     28.93908 13.47387 27.91103 12.97229 1.028051       18.70362 
1 1 1 13 2  80  o 27.16112 12.00825 0.8890045E-01  0.8867358E-01 0.1454001      0.1309585     0.4106463E-01  0.1205001     29.35914 13.60122 25.02106 12.01470 4.338076       18.14790 
1 1 1 13 2  81  o 24.82062 11.38062 0.8509318E-01  0.8838837E-01 0.1339984      0.1285090     0.4118722E-01  0.1217636     26.10589 12.50158 23.03620 11.29042 3.069689       16.84527 
1 1 1 13 2  82  o 23.18227 10.94181 0.1004200      0.9156245E-01 0.1822029      0.1309131     0.2210182E-01  0.1281101     24.56119 11.96582 20.53615 10.30920 4.025038       15.79432 
1 1 1 13 2  83  o 19.13453 9.408959 0.5778208E-01  0.8678403E-01 0.4459865E-01  0.1230868     0.7081423E-01  0.1223785     18.74822 9.495369 19.22515 9.705180 -0.4769306     13.57765 
1 1 1 13 2  84  o 19.62480 9.704860 0.1579171      0.9688122E-01 0.1019557      0.1373034     0.2134040      0.1367199     17.40830 8.920389 18.87114 9.603070 -1.462837      13.10696 
1 1 1 13 2  85  o 14.69010 7.504591 0.2298554E-01  0.9040688E-01 0.6393803E-01  0.1198595     -0.3106372E-01 0.1376978     15.15440 7.793266 14.39900 7.442891 0.7553997      10.77644 
1 1 1 13 2  86  o 14.53879 7.487837 0.1924278      0.1170735     0.1726183      0.1664235     0.2118346      0.1647234     13.72946 7.130778 13.90616 7.220161 -0.1767006     10.14784 
1 1 1 13 2  87  o 11.62997 6.011230 -0.2226709E-01 0.8951668E-01 -0.4364468E-01 0.1636769     -0.1314398E-01 0.1069251     11.83559 6.159289 11.79305 6.115423 0.4254723E-01  8.679587 
1 1 1 13 2  88  o 11.33029 5.882131 0.1077071      0.1083345     0.9164388E-01  0.1541355     0.1233895      0.1522972     11.05817 5.756408 11.14412 5.800471 -0.8594513E-01 8.172007 
1 1 1 13 2  89  o 9.528835 4.952061 -0.3037333E-01 0.8564115E-01 -0.8797414E-01 0.1067469     0.7367032E-01  0.1434659     9.421643 4.903730 9.886896 5.148779 -0.4652529     7.110310 
1 1 1 13 2  90  o 8.719375 4.539775 0.7794979E-01  0.1009235     -0.7060458E-03 0.1474001     0.1473665      0.1384727     8.523395 4.438049 8.737594 4.550378 -0.2141991     6.356274 
1 1 1 13 2  91  o 7.604269 3.959934 0.1281279      0.1090906     0.1431291      0.1875906     0.1204624      0.1340968     ?        ?        7.533388 3.920794 0.000000       3.920794 
1 1 1 13 2  92  o 6.330018 3.295710 -0.3229575E-01 0.8186579E-01 0.9155351E-01  0.1104266     -0.1834312     0.1219860     6.478333 3.369889 6.256908 3.251447 0.2214251      4.682741 
1 1 1 13 2  93  f 5.493255 2.854629 0.6518216E-01  0.9386830E-01 0.3890223E-01  0.1249181     0.9926879E-01  0.1422673     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  94  o ?        ?        -0.6101747E-02 0.8120103E-01 -0.1657956E-01 0.1162204     0.3891135E-02  0.1134991     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  95  o ?        ?        -0.1913905E-01 0.7868432E-01 -0.3275450E-01 0.1131989     -0.6410809E-02 0.1094487     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  96  o ?        ?        0.8565693E-01  0.9074620E-01 0.1507555E-01  0.1310769     0.1506257      0.1257574     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  97  o ?        ?        0.6086814E-01  0.8843914E-01 -0.9579009E-01 0.1275412     0.2059549      0.1227405     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 2  98  f ?        ?        -0.7461804E-01 0.9983779E-01 0.2168566E-01  0.1394148     -0.1759936     0.1430389     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  0   o 24.98982 15.98814 0.9952269E-02  0.1237992     0.000000       0.000000      0.9952269E-02  0.1237992     24.98982 15.98814 24.98982 15.98814 0.000000       0.000000 
1 1 1 13 3  1   f 108.3084 18.11092 0.8701189      0.2612934     0.5736617      0.3653442     1.180544       0.3738519     85.95701 27.34976 124.4311 22.59071 -38.47414      35.47322 
1 1 1 13 3  2   o 36.82591 14.24553 0.6479322E-01  0.1030523     0.1126169      0.1372006     0.2889019E-02  0.1560970     44.51703 16.61770 38.43924 16.46909 6.077785       23.39613 
1 1 1 13 3  3   o 67.33912 18.38107 0.3403428      0.1756979     0.4205337      0.2413034     0.2498567      0.2563253     74.43343 21.96796 62.29853 22.81092 12.13490       31.66906 
1 1 1 13 3  4   o 53.97246 15.06410 0.2144044      0.1165442     0.3072284      0.1376601     -0.2047786E-01 0.2189791     64.26224 15.65753 43.92791 19.16207 20.33433       24.74557 
1 1 1 13 3  5   o 189.0343 13.73493 2.551672       0.3560638     2.361532       0.4323350     2.952558       0.6277618     179.9069 17.62997 197.4672 23.48347 -17.56033      29.36476 
1 1 1 13 3  6   o 130.0363 14.11565 1.216472       0.2493861     1.204768       0.3022793     1.241418       0.4413094     128.0339 17.56063 125.6465 26.28115 2.387405       31.60814 
1 1 1 13 3  7   o 147.0424 11.80775 1.534581       0.2377221     1.569043       0.3353206     1.499759       0.3370658     146.6789 16.86272 143.1163 17.41543 3.562576       24.24146 
1 1 1 13 3  8   o 71.22793 14.76606 0.3746332      0.1404607     0.4506904      0.1757531     0.2401746      0.2336830     77.69433 16.86613 60.51019 21.83714 17.18414       27.59215 
1 1 1 13 3  9   o 131.0596 11.64374 1.220278       0.2085223     1.194989       0.2413474     1.294741       0.4141413     128.9711 13.76493 129.5510 24.03600 -0.5798798     27.69842 
1 1 1 13 3  10  o 127.3241 10.37904 1.145684       0.1808883     1.139725       0.2026488     1.169045       0.4012509     126.5917 11.72631 122.6418 24.55064 3.949898       27.20736 
1 1 1 13 3  11  o 122.5329 9.558935 1.057954       0.1604543     1.149766       0.1955153     0.8685596      0.2808105     127.2922 11.23892 107.4647 19.64789 19.82748       22.63521 
1 1 1 13 3  12  o 59.45815 10.52485 0.2554705      0.8324809E-01 0.2717499      0.9993876E-01 0.2185711      0.1504611     60.96095 12.29680 55.13677 17.55237 5.824177       21.43122 
1 1 1 13 3  13  o 73.14790 10.25000 0.3826827      0.1006867     0.3267270      0.1214281     0.5058156      0.1801291     66.64434 13.65429 82.49253 16.39126 -15.84819      21.33338 
1 1 1 13 3  14  o 68.73438 10.56682 0.3394837      0.9707863E-01 0.3797581      0.1174641     0.2526993      0.1724296     72.35737 12.18996 58.98517 18.79146 13.37220       22.39898 
1 1 1 13 3  15  o 131.8435 9.583229 1.224828       0.1732719     1.310599       0.2110264     1.047344       0.3035614     135.8656 11.35237 118.2848 19.24759 17.58080       22.34605 
1 1 1 13 3  16  o 223.9340 9.484211 3.515471       0.2932643     3.629090       0.3585202     3.285726       0.5098131     226.4460 11.50376 212.0095 17.57319 14.43649       21.00366 
1 1 1 13 3  17  o 126.0467 9.705628 1.121057       0.1676254     1.171622       0.2042726     1.016809       0.2933037     128.2757 11.65996 116.6077 18.85985 11.66793       22.17315 
1 1 1 13 3  18  o 157.6137 9.608232 1.749161       0.2081117     1.650182       0.2536798     1.952879       0.3639397     152.1768 12.17449 163.6895 16.31920 -11.51265      20.36012 
1 1 1 13 3  19  o 139.9327 9.658185 1.380698       0.1854753     1.400237       0.2262374     1.340644       0.3239105     140.2149 11.79466 134.5802 17.87237 5.634674       21.41344 
1 1 1 13 3  20  o 167.7847 10.59206 1.991085       0.2441382     2.299737       0.3164666     1.537380       0.3836902     179.3807 12.86195 142.9992 19.97710 36.38147       23.75951 
1 1 1 13 3  21  o 183.7334 10.56193 2.387002       0.2668321     2.387905       0.3441707     2.385641       0.4224665     182.2799 13.77575 180.2601 17.18079 2.019882       22.02160 
1 1 1 13 3  22  o 117.9638 12.49655 0.9996807      0.2004531     1.140190       0.2297540     0.5517902      0.4102013     125.6919 13.44645 83.82661 29.04903 41.86531       32.01020 
1 1 1 13 3  23  o 116.0528 14.92935 0.9846080      0.2336929     1.173227       0.2845939     0.5941440      0.4094708     125.9634 16.77965 86.00999 29.04409 39.95337       33.54275 
1 1 1 13 3  24  o 186.7478 14.20063 2.520010       0.3634417     2.987831       0.4472430     1.610415       0.6236301     202.1361 16.15873 135.6523 33.49387 66.48378       37.18795 
1 1 1 13 3  25  o 148.2967 10.87573 1.563833       0.2211507     1.531324       0.3572738     1.584027       0.2815790     142.9187 18.54085 147.8922 13.95341 -4.973465      23.20476 
1 1 1 13 3  26  f 89.70898 10.75113 0.5770100      0.1305235     0.5411021      0.1876331     0.6106781      0.1816868     84.76562 16.62469 90.82582 15.01133 -6.060204      22.39912 
1 1 1 13 3  27  o 127.8612 10.02270 1.160728       0.1755374     1.228600       0.2504874     1.095230       0.2460664     129.8241 14.20486 122.1804 14.89342 7.643677       20.58135 
1 1 1 13 3  28  o 219.4108 9.678322 3.395755       0.2932217     3.631008       0.4185875     3.169089       0.4108762     224.2338 13.58315 208.9185 14.32943 15.31531       19.74423 
1 1 1 13 3  29  o 121.6185 12.45520 1.068687       0.2062140     0.8315820      0.4080419     1.150017       0.2389778     98.74200 28.40366 125.4773 14.03318 -26.73526      31.68119 
1 1 1 13 3  30  o 133.8437 14.14259 1.310207       0.2574169     1.429625       0.4524156     1.253038       0.3130263     132.0536 25.73623 128.6323 18.12612 3.421310       31.47872 
1 1 1 13 3  31  o 82.63704 13.38837 0.5038677      0.1475443     0.4174335      0.2136247     0.5827076      0.2040244     72.72398 20.42943 87.20028 17.55193 -14.47630      26.93385 
1 1 1 13 3  32  o 149.4799 12.15641 1.612771       0.2487413     1.782771       0.3560765     1.450747       0.3476225     154.1257 17.01500 137.7224 18.76827 16.40327       25.33295 
1 1 1 13 3  33  o 80.22227 12.34127 0.4723756      0.1323265     0.5231153      0.2076626     0.4376882      0.1717002     81.71749 18.79546 75.37991 16.91200 6.337585       25.28409 
1 1 1 13 3  34  f 67.36436 13.15916 0.3388046      0.1180142     0.2297379      0.1843257     0.4145708      0.1536306     56.11728 19.47122 73.74904 15.57479 -17.63176      24.93396 
1 1 1 13 3  35  o 81.86860 12.41015 0.4934115      0.1358937     0.5618758      0.2142963     0.4473616      0.1757507     84.43378 18.85693 75.89932 17.17094 8.534462       25.50343 
1 1 1 13 3  36  o 171.2430 10.95537 2.108082       0.2576888     2.206024       0.4073957     2.042763       0.3326999     170.0545 17.60459 166.0000 14.66549 4.054535       22.91284 
1 1 1 13 3  37  o 87.02557 11.45170 0.5531884      0.1342697     0.5481545      0.1919449     0.5580121      0.1878920     83.97400 17.13387 85.02003 16.60039 -1.046028      23.85670 
1 1 1 13 3  38  o 67.32616 14.70203 0.3467545      0.1328484     0.3454907      0.1693295     0.3487777      0.2142514     66.03003 18.05365 65.83852 20.94377 0.1915054      27.65096 
1 1 1 13 3  39  o 138.6087 13.06772 1.415470       0.2471564     1.582399       0.3455842     1.240690       0.3536182     142.8702 17.91125 123.4311 21.53084 19.43910       28.00697 
1 1 1 13 3  40  o 161.8080 12.89547 1.925791       0.2857289     2.107791       0.4026739     1.741223       0.4055043     164.7338 17.99513 147.2737 20.49592 17.46008       27.27467 
1 1 1 13 3  41  o 123.6690 11.78766 1.118640       0.1988555     1.129315       0.3163988     1.111670       0.2556599     118.4033 20.06913 120.7639 15.70314 -2.360603      25.48252 
1 1 1 13 3  42  o 165.4838 10.29732 1.973480       0.2341313     2.228259       0.3353036     1.731055       0.3270732     172.7159 14.18473 150.6113 15.97081 22.10457       21.36055 
1 1 1 13 3  43  o 131.9465 10.71782 1.262670       0.1935854     1.243503       0.2777606     1.280774       0.2699485     127.1899 16.18180 129.7283 15.36862 -2.538399      22.31693 
1 1 1 13 3  44  o 59.15326 13.88045 0.2692174      0.1114248     0.3992263      0.1661301     0.1629111      0.1502247     70.75343 17.17700 48.18046 17.49003 22.57297       24.51429 
1 1 1 13 3  45  o 61.69582 15.08066 0.2971508      0.1273919     0.3794424      0.2114999     0.2502974      0.1595890     67.47594 20.71367 56.33459 18.09213 11.14135       27.50238 
1 1 1 13 3  46  o 110.6550 14.19646 0.9262784      0.2119124     1.178142       0.3074837     0.6984272      0.2924593     121.1022 19.01428 89.31729 23.42396 31.78487       30.16993 
1 1 1 13 3  47  o 97.96271 14.76972 0.7342353      0.1935818     0.8361854      0.2810624     0.6422249      0.2670098     99.99276 21.02326 86.34539 22.25466 13.64737       30.61449 
1 1 1 13 3  48  f 118.4306 11.32977 1.028691       0.1830167     1.228227       0.2655604     0.8481895      0.2525768     126.4088 15.54153 102.6696 18.49648 23.73923       24.15903 
1 1 1 13 3  49  o 128.3637 10.53889 1.198512       0.1851505     1.384034       0.2599777     1.007570       0.2637478     135.3772 14.11519 112.8162 17.49760 22.56098       22.48120 
1 1 1 13 3  50  o 167.8414 10.33874 2.041323       0.2384439     2.414279       0.3392217     1.677081       0.3352349     179.3574 13.80304 146.4849 16.88264 32.87251       21.80706 
1 1 1 13 3  51  o 157.6698 10.18746 1.800090       0.2206093     1.663487       0.3157764     1.930329       0.3083341     146.8707 15.82028 159.9794 14.10214 -13.10866      21.19320 
1 1 1 13 3  52  o 85.64888 11.79135 0.5450388      0.1357544     0.5730188      0.1955107     0.5189895      0.1886446     84.64307 17.31170 80.33043 17.50187 4.312637       24.61727 
1 1 1 13 3  53  o 123.7994 9.815152 1.108322       0.1664098     0.9730462      0.2545632     1.209266       0.2199014     111.0312 17.15711 127.4901 12.65884 -16.45891      21.32164 
1 1 1 13 3  54  o 86.01775 10.98388 0.5445693      0.1274828     0.5919947      0.1938010     0.5083956      0.1692571     86.40285 16.84912 80.55292 15.78143 5.849930       23.08563 
1 1 1 13 3  55  o 230.5200 9.296835 3.805298       0.2959251     4.001613       0.4524515     3.658537       0.3912008     230.5080 14.28542 222.1969 12.80463 8.311142       19.18415 
1 1 1 13 3  56  o 105.8313 10.35494 0.8155903      0.1493825     0.7806624      0.2260021     0.8426893      0.1990692     99.34247 17.09192 105.4112 14.02471 -6.068764      22.10942 
1 1 1 13 3  57  o 107.1667 9.570981 0.8302772      0.1401394     0.7114076      0.1978323     0.9500034      0.1985437     95.77799 15.48728 112.6427 13.00376 -16.86467      20.22260 
1 1 1 13 3  58  f 89.22268 10.21437 0.5813630      0.1235744     0.6736265      0.1752017     0.4900229      0.1743229     94.07602 13.90631 78.45470 16.60902 15.62132       21.66206 
1 1 1 13 3  59  o 52.39422 12.58992 0.2105055      0.8995089E-01 0.3216408      0.1271796     0.9926460E-01  0.1272400     64.08954 14.68587 40.91550 15.82880 23.17403       21.59226 
1 1 1 13 3  60  o 63.05009 12.16719 0.3016031      0.1020913     0.4456190      0.1449455     0.1598174      0.1438189     75.79002 14.37616 47.11236 17.11142 28.67766       22.34893 
1 1 1 13 3  61  o 93.72744 11.02575 0.6497797      0.1399684     0.7702639      0.1860375     0.4926152      0.2124775     100.3736 13.78691 75.91626 19.99278 24.45736       24.28560 
1 1 1 13 3  62  o 82.38200 12.91607 0.5179599      0.1420963     0.7851008      0.2022576     0.2575942      0.1996763     100.1487 15.09461 56.23510 20.19873 43.91355       25.21578 
1 1 1 13 3  63  o 147.2434 10.76749 1.599731       0.2174034     1.778799       0.3081690     1.422314       0.3067454     150.9261 14.98534 132.5571 17.16144 18.36902       22.78323 
1 1 1 13 3  64  o 151.3297 9.887806 1.679275       0.2054793     2.180492       0.3164919     1.314065       0.2701601     168.0822 13.75703 128.4604 15.54697 39.62180       20.75968 
1 1 1 13 3  65  o 93.71111 10.36131 0.6549728      0.1318308     0.7627927      0.1862822     0.5467942      0.1865919     98.26899 14.13510 80.45230 17.30972 17.81669       22.34788 
1 1 1 13 3  66  o 136.5606 10.17088 1.388146       0.1904134     1.824054       0.2899878     1.057748       0.2524652     151.9342 13.97929 112.5248 16.76004 39.40939       21.82475 
1 1 1 13 3  67  o 93.80321 13.53300 0.7017727      0.1702165     0.9309053      0.2164391     0.3303135      0.2755801     106.4991 15.14475 57.87769 23.02113 48.62144       27.55605 
1 1 1 13 3  68  o 85.98904 14.38339 0.6091333      0.1647500     0.5293861      0.2131055     0.7275996      0.2597372     73.79939 20.28455 84.95055 21.97631 -11.15117      29.90688 
1 1 1 13 3  69  o 78.46207 12.33376 0.4927320      0.1292177     0.5593575      0.2009895     0.4457918      0.1687039     76.55352 19.08144 69.65143 17.54888 6.902092       25.92420 
1 1 1 13 3  70  o 83.30640 11.92168 0.5574241      0.1332263     0.4844109      0.2044992     0.6112626      0.1756051     68.02908 20.25889 83.04794 15.89232 -15.01887      25.74856 
1 1 1 13 3  71  o 44.98553 14.61546 0.1818125      0.1039334     0.1644208      0.1524744     0.1969067      0.1420470     42.93996 17.10988 45.55891 16.92795 -2.618942      24.06872 
1 1 1 13 3  72  o 36.17763 13.49436 0.1086970      0.9043888E-01 0.2771636      0.1268491     -0.6546990E-01 0.1289773     53.13879 15.98542 27.51708 12.98736 25.62171       20.59624 
1 1 1 13 3  73  o 39.97369 13.64399 0.1488506      0.9037234E-01 0.1712757      0.1321161     0.1291306      0.1238916     41.13834 16.06927 37.73459 15.28730 3.403751       22.17934 
1 1 1 13 3  74  o 47.68692 13.87235 0.2240430      0.9684302E-01 0.1837851      0.1408894     0.2600999      0.1333360     40.51472 16.34124 47.54066 16.55682 -7.025940      23.26294 
1 1 1 13 3  75  o 38.68960 13.66341 0.1571600      0.9100039E-01 0.8828202E-01  0.1328659     0.2180185      0.1248919     32.61990 14.54452 42.25661 15.83885 -9.636711      21.50377 
1 1 1 13 3  76  o 58.48765 14.28923 0.3748319      0.1144157     0.4079227      0.1653320     0.3444192      0.1585005     50.10028 18.32371 46.13464 17.71535 3.965641       25.48709 
1 1 1 13 3  77  o 34.52335 13.47390 0.1501323      0.9282536E-01 0.1548977      0.1357504     0.1459474      0.1272147     32.70848 14.63417 32.44947 14.36284 0.2590179      20.50488 
1 1 1 13 3  78  o 45.69919 14.91917 0.3070182      0.1082491     0.3471074      0.1563021     0.2700655      0.1500631     38.83926 16.55587 35.15436 15.57781 3.684898       22.73247 
1 1 1 13 3  79  o 23.41886 10.79386 0.5383867E-01  0.8093155E-01 0.4608496E-01  0.1198006     0.6034780E-01  0.1097656     23.66867 11.51213 24.07095 11.53418 -0.4022713     16.29621 
1 1 1 13 3  80  o 25.16144 11.44744 0.1176886      0.8719048E-01 0.1054615      0.1274588     0.1284427      0.1195342     23.26874 11.43395 24.17841 11.69831 -0.9096699     16.35805 
1 1 1 13 3  81  o 21.80065 10.32456 0.9923569E-01  0.8280513E-01 0.1354322      0.1213842     0.6772950E-01  0.1132471     21.57717 10.70423 20.03378 10.00314 1.543381       14.65071 
1 1 1 13 3  82  o 12.78772 6.527212 -0.1204130     0.6709338E-01 -0.7277526E-01 0.8809292E-01 -0.1862161     0.1035354     14.92718 7.606667 14.06009 7.231113 0.8670931      10.49526 
1 1 1 13 3  83  o 13.74003 7.043465 -0.6369137E-01 0.8656842E-01 -0.1984843E-01 0.1250283     -0.1040653     0.1199801     14.88033 7.667282 14.09251 7.271894 0.7878151      10.56729 
1 1 1 13 3  84  o 14.00890 7.178430 0.4607335E-01  0.8890273E-01 0.1033569      0.1431526     0.1010921E-01  0.1134277     14.18603 7.348053 13.60627 7.022991 0.5797539      10.16446 
1 1 1 13 3  85  o 11.83572 6.083387 -0.2351713E-01 0.7027594E-01 -0.9457432E-01 0.1223009     0.1151008E-01  0.8586741E-01 11.92816 6.193645 12.41919 6.397032 -0.4910297     8.904114 
1 1 1 13 3  86  o 12.07656 6.240515 0.1032320      0.9523718E-01 0.1961746      0.1520087     0.4317435E-01  0.1221927     11.96835 6.225038 11.53911 5.995354 0.4292421      8.642648 
1 1 1 13 3  87  o 10.50423 5.456171 0.6369267E-01  0.9855019E-01 -0.1421231     0.1344463     0.3026922      0.1448799     9.878498 5.143626 10.97924 5.714410 -1.100739      7.688392 
1 1 1 13 3  88  o 8.731158 4.543444 -0.6955980E-01 0.8762494E-01 -0.1228633     0.1218930     -0.1255642E-01 0.1260524     8.777267 4.571094 9.008361 4.691394 -0.2310944     6.550120 
1 1 1 13 3  89  o 7.987836 4.159539 0.4248387E-01  0.9442288E-01 0.1907479      0.1700803     -0.2357141E-01 0.1135246     8.050472 4.187920 7.853110 4.089447 0.1973619      5.853396 
1 1 1 13 3  90  f 6.997752 3.644262 0.4769086E-01  0.8749396E-01 -0.4126385E-01 0.1387432     0.1064227      0.1127364     6.887681 3.580592 7.037686 3.663326 -0.1500049     5.122558 
1 1 1 13 3  91  o 5.967713 3.103878 0.6770919E-01  0.9664104E-01 0.1716709      0.1455085     -0.1434366E-01 0.1292702     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  92  o 4.999878 2.597642 0.1785232E-01  0.8037169E-01 -0.3086081E-01 0.1206305     0.5673810E-01  0.1077778     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  93  o ?        ?        -0.1041821E-01 0.7885031E-01 0.1213100      0.1187608     -0.1142635     0.1054453     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  94  o ?        ?        0.5960473E-01  0.8162379E-01 -0.2153861E-01 0.1226064     0.1241949      0.1093881     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  95  o ?        ?        0.1608427      0.9858736E-01 0.1656223      0.1457787     0.1568142      0.1338331     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  96  o ?        ?        0.3553540E-01  0.8254261E-01 0.1049091      0.1251613     -0.1786031E-01 0.1098059     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 3  97  o ?        ?        -0.2745516     0.6338425E-01 0.000000       0.000000      -0.2745516     0.6338425E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  0   o 65.62318 29.24507 0.4550028      0.2810421     0.000000       0.000000      0.4550028      0.2810421     65.62318 29.24507 65.62318 29.24507 0.000000       0.000000 
1 1 1 13 4  1   o 80.59874 18.99688 0.4951347      0.2079637     0.4915142      0.2936453     0.4987780      0.2945669     79.43985 24.41037 79.95673 24.42861 -0.5168839     34.53437 
1 1 1 13 4  2   o 1820.214 85.68693 534.7309       21.53649      0.000000       0.000000      534.7309       21.53649      ?        ?        1820.214 85.68693 0.000000       85.68693 
1 1 1 13 4  3   o 129.2263 26.81712 1.337884       0.4628474     0.000000       0.000000      1.337884       0.4628474     ?        ?        129.2263 26.81712 0.000000       26.81712 
1 1 1 13 4  4   o 85.67291 25.54645 0.5823025      0.3250213     0.000000       0.000000      0.5823025      0.3250213     ?        ?        85.67291 25.54645 0.000000       25.54645 
1 1 1 13 4  5   f 124.6922 27.08939 1.252823       0.4530803     0.000000       0.000000      1.252823       0.4530803     ?        ?        124.6922 27.08939 0.000000       27.08939 
1 1 1 13 4  6   o 147.1147 17.61366 1.598563       0.3506885     1.372427       0.4847333     1.846909       0.5079799     130.1267 27.82019 153.7235 24.77337 -23.59679      37.25161 
1 1 1 13 4  7   o 123.1563 18.17700 1.130846       0.2998211     1.192274       0.4174354     1.065390       0.4309076     122.4448 25.51703 114.3607 27.60279 8.084091       37.59033 
1 1 1 13 4  8   o 94.50350 15.08186 0.6567643      0.1901906     0.6955300      0.2257317     0.5619042      0.3531103     96.31375 17.62272 84.14645 26.90006 12.16730       32.15857 
1 1 1 13 4  9   f 140.8920 17.82068 1.471709       0.3389436     1.600512       0.4701054     1.332265       0.4891382     142.7700 24.74280 127.5054 28.49872 15.26468       37.74100 
1 1 1 13 4  10  o 201.0985 13.73614 2.905608       0.3791453     2.582259       0.4578673     3.611039       0.6762874     186.9647 17.95631 217.1299 22.90209 -30.16527      29.10215 
1 1 1 13 4  11  o 88.87215 19.03107 0.6026323      0.2265013     0.8025770      0.3163432     0.3923044      0.3244532     100.9367 23.18522 72.97662 25.79667 27.96010       34.68462 
1 1 1 13 4  12  o 71.34805 19.05154 0.3899295      0.1912257     0.3351513      0.2639815     0.4504113      0.2773840     67.64524 23.31127 76.07253 23.78288 -8.427292      33.30227 
1 1 1 13 4  13  o 128.9349 14.16061 1.206601       0.2479583     1.186926       0.2991352     1.249806       0.4432803     126.2250 17.64502 124.1950 26.64664 2.029961       31.95919 
1 1 1 13 4  14  o 97.28548 15.05293 0.6973844      0.1956822     0.6723997      0.2338868     0.7556786      0.3572586     93.99828 18.67791 96.27696 26.18195 -2.278679      32.16145 
1 1 1 13 4  15  o 141.2356 14.17015 1.447201       0.2726220     1.541276       0.3292439     1.242033       0.4862243     144.4104 16.82681 121.6782 29.29139 22.73222       33.78057 
1 1 1 13 4  16  o 121.2613 12.18981 1.056608       0.2013419     0.9620100      0.2821713     1.154732       0.2873810     112.7144 18.79152 124.5504 17.16607 -11.83597      25.45183 
1 1 1 13 4  17  o 93.01128 11.14785 0.6213073      0.1403215     0.5529649      0.1782374     0.7327181      0.2275713     86.13189 15.55898 98.67358 17.33496 -12.54169      23.29341 
1 1 1 13 4  18  o 141.9008 9.625860 1.424780       0.1874934     1.404711       0.2278682     1.466848       0.3299141     140.0056 11.89972 140.2851 17.40535 -0.2795105     21.08434 
1 1 1 13 4  19  o 101.7619 9.960366 0.7374582      0.1381638     0.7742050      0.1677195     0.6598671      0.2437136     103.6198 11.94049 92.32990 19.71558 11.28988       23.04950 
1 1 1 13 4  20  o 170.2924 10.58143 2.061180       0.2475847     2.309913       0.3184803     1.681258       0.3936075     179.0522 12.96933 148.6189 19.66293 30.43326       23.55492 
1 1 1 13 4  21  f 181.7990 10.61536 2.349820       0.2653214     2.448716       0.3406026     2.197196       0.4231244     183.9820 13.50138 171.1061 18.18755 12.87584       22.65114 
1 1 1 13 4  22  o 196.0947 10.64858 2.735165       0.2872527     2.798300       0.3689884     2.638043       0.4576560     196.4976 13.68475 187.6834 17.87536 8.814240       22.51224 
1 1 1 13 4  23  o 137.1290 10.88169 1.344201       0.2043528     1.489908       0.2617670     1.116835       0.3269920     143.1891 13.39499 119.8782 20.49028 23.31085       24.48014 
1 1 1 13 4  24  o 139.3655 10.96478 1.390005       0.2093012     1.206712       0.2663547     1.685885       0.3384112     127.6123 15.42909 150.3379 16.57755 -22.72557      22.64668 
1 1 1 13 4  25  o 157.2770 12.28858 1.785346       0.2647533     1.979459       0.3721732     1.586480       0.3767033     162.6859 16.80988 143.6357 19.49714 19.05025       25.74316 
1 1 1 13 4  26  o 241.5816 11.82706 4.183303       0.3945288     4.339958       0.5630732     4.032226       0.5529603     240.8895 17.03804 231.7745 17.40497 9.114944       24.35627 
1 1 1 13 4  27  o 160.7893 12.14317 1.868305       0.2676162     2.141654       0.3125265     1.116920       0.5181544     171.4552 13.30493 109.6014 32.14703 61.85388       34.79156 
1 1 1 13 4  28  o 218.2412 11.92631 3.433472       0.3580416     3.193332       0.4137209     4.149868       0.7145824     208.3919 14.46731 227.5303 23.06310 -19.13843      27.22516 
1 1 1 13 4  29  o 106.9123 11.77548 0.8305870      0.1709552     0.8537446      0.2168684     0.7925781      0.2778386     106.7513 15.13640 99.43297 20.89962 7.318306       25.80513 
1 1 1 13 4  30  o 141.1367 11.31193 1.437872       0.2185996     1.446552       0.2790957     1.424097       0.3516068     139.5216 14.70847 135.0463 19.41355 4.475296       24.35621 
1 1 1 13 4  31  o 94.90541 13.07327 0.6658065      0.1667751     1.130557       0.2261059     0.1112569      0.2469860     123.8419 13.43790 51.25916 21.26262 72.58276       25.15305 
1 1 1 13 4  32  o 290.3757 10.70976 6.042369       0.4294160     6.417852       0.6756262     5.787884       0.5562143     291.1173 16.87986 279.7387 14.44897 11.37860       22.21942 
1 1 1 13 4  33  o 189.4867 12.27847 2.615379       0.3195345     2.748007       0.4433162     2.471970       0.4609812     189.7247 17.10597 177.8801 19.06509 11.84453       25.61429 
1 1 1 13 4  34  o 190.0775 10.02785 2.588989       0.2622629     2.725045       0.3720982     2.454678       0.3697049     191.6099 14.16415 181.1335 14.91405 10.47643       20.56823 
1 1 1 13 4  35  o 116.0721 10.67192 0.9754622      0.1691283     0.8949658      0.2382933     1.057173       0.2400840     107.7806 16.53979 118.2979 15.03747 -10.51728      22.35375 
1 1 1 13 4  36  f 71.31288 12.57315 0.3806328      0.1192840     0.4496377      0.1666674     0.3081681      0.1707945     75.82619 16.39561 62.10580 18.51868 13.72039       24.73373 
1 1 1 13 4  37  o 54.23923 12.96520 0.2238953      0.9578365E-01 0.4222686      0.1332699     0.1193404E-01  0.1377586     74.78579 13.39757 35.81487 15.41123 38.97092       20.42060 
1 1 1 13 4  38  o 187.3512 10.02526 2.523595       0.2584118     2.571288       0.3646518     2.475482       0.3662525     185.3257 14.36182 181.4471 14.74571 3.878601       20.58392 
1 1 1 13 4  39  o 90.80938 12.21366 0.6113627      0.1492656     0.6914692      0.2304049     0.5534266      0.1959442     92.78967 18.62992 83.42223 17.56554 9.367447       25.60512 
1 1 1 13 4  40  o 196.1636 10.94828 2.791572       0.2953699     2.954368       0.4640329     2.680683       0.3829738     194.8411 17.43183 188.4808 14.83504 6.360291       22.88989 
1 1 1 13 4  41  o 125.5779 13.60097 1.181064       0.2320731     1.065190       0.3330583     1.290416       0.3235499     112.2963 22.26571 126.8578 19.06010 -14.56152      29.30954 
1 1 1 13 4  42  f 99.42799 14.53966 0.7532231      0.1937194     0.8312315      0.2825154     0.6839964      0.2661386     99.63760 21.18643 89.70119 21.71869 9.936409       30.34083 
1 1 1 13 4  43  o 111.0609 12.20863 0.9133708      0.1841358     1.123679       0.3021598     0.7891305      0.2322414     117.9253 19.21828 99.75002 17.49939 18.17529       25.99174 
1 1 1 13 4  44  o 97.30437 11.24956 0.6962664      0.1483625     0.7033017      0.2145803     0.6898230      0.2053562     94.25767 17.11722 93.77126 16.46033 0.4864120      23.74746 
1 1 1 13 4  45  o 91.10601 11.56530 0.6136609      0.1422155     0.5274081      0.2046928     0.6941486      0.1977338     80.23140 18.80433 94.52963 15.69944 -14.29823      24.49643 
1 1 1 13 4  46  o 144.0590 11.43383 1.521349       0.2255721     1.819193       0.3593093     1.327600       0.2897970     152.0658 17.42650 130.6075 16.43275 21.45831       23.95241 
1 1 1 13 4  47  o 118.5522 13.39019 1.055573       0.2153554     1.147599       0.4321928     1.025177       0.2483878     109.2259 28.39325 114.8345 16.10772 -5.608589      32.64407 
1 1 1 13 4  48  f 94.57095 16.77573 0.7060277      0.2110450     0.8479336      0.3764788     0.6409997      0.2548536     94.25578 27.33237 86.64262 21.42275 7.613167       34.72740 
1 1 1 13 4  49  f 60.89652 16.22377 0.2952548      0.1388755     0.3289989      0.2024697     0.2652743      0.1908447     62.98953 20.39396 57.67911 19.82392 5.310421       28.44119 
1 1 1 13 4  50  o 107.4543 12.27026 0.8575385      0.1787958     1.032709       0.2920077     0.7524769      0.2261444     112.5254 19.49996 97.21539 17.48971 15.31004       26.19424 
1 1 1 13 4  51  o 113.6872 12.27586 0.9587818      0.1896501     1.472363       0.3112239     0.6554295      0.2391893     137.3309 16.75991 88.81200 19.98710 48.51889       26.08407 
1 1 1 13 4  52  o 110.2179 12.43641 0.9032732      0.1859621     0.9307125      0.3036459     0.8868045      0.2352389     104.8387 21.69062 106.4264 16.54480 -1.587685      27.28028 
1 1 1 13 4  53  o 108.3100 11.46667 0.8637493      0.1688840     0.9763016      0.2475381     0.7657380      0.2309952     111.7015 16.54963 97.88149 17.74429 13.81999       24.26417 
1 1 1 13 4  54  o 95.36109 12.00800 0.6757569      0.1546115     0.6921542      0.2281974     0.6618421      0.2102152     92.30708 18.54714 91.05882 17.35229 1.248268       25.39879 
1 1 1 13 4  55  f 114.7167 11.35924 0.9684966      0.1775693     1.041507       0.2592424     0.9039692      0.2437179     115.0233 16.81933 106.8410 17.09651 8.182266       23.98292 
1 1 1 13 4  56  o 52.91017 14.68743 0.2194267      0.1111055     0.3683974E-01  0.1650550     0.3707103      0.1502414     39.70000 16.97015 68.10461 16.21023 -28.40461      23.46823 
1 1 1 13 4  57  o 87.22469 13.82406 0.5828096      0.1609473     0.4764048      0.2125413     0.7258477      0.2464272     74.74879 20.13904 93.10508 19.77842 -18.35629      28.22706 
1 1 1 13 4  58  o 69.92642 16.74719 0.3970698      0.1595703     0.5441144      0.2332370     0.2676793      0.2187883     79.01500 21.01287 57.53474 21.07338 21.48026       29.75951 
1 1 1 13 4  59  o 88.49425 13.67354 0.6030782      0.1616978     0.8064226      0.2639946     0.4809874      0.2045598     96.98917 20.36072 74.89491 19.56534 22.09425       28.23759 
1 1 1 13 4  60  o 130.9264 12.14472 1.289020       0.2170602     1.750432       0.3511617     1.003724       0.2761287     146.3680 17.73710 109.3452 18.97650 37.02278       25.97522 
1 1 1 13 4  61  o 115.0639 10.26124 0.9779364      0.1613226     1.148468       0.2142146     0.7545003      0.2452014     122.5749 12.84733 93.29736 19.65385 29.27759       23.48037 
1 1 1 13 4  62  o 96.88271 10.85123 0.7045243      0.1426724     0.8769378      0.1889955     0.4760958      0.2175409     106.2995 13.15708 71.85294 20.75967 34.44651       24.57789 
1 1 1 13 4  63  o 75.42168 11.56959 0.4368250      0.1166442     0.4467478      0.1787464     0.4294654      0.1539391     71.31069 18.11675 71.65746 15.96640 -0.3467636     24.14835 
1 1 1 13 4  64  o 105.0670 11.33094 0.8443233      0.1617866     0.8808131      0.2300260     0.8086007      0.2275951     101.6433 16.98893 96.51531 17.73107 5.127945       24.55635 
1 1 1 13 4  65  o 72.87702 15.07100 0.4464386      0.1466531     0.4499320      0.1907665     0.4413908      0.2293099     69.01836 19.27633 65.48685 21.73051 3.531517       29.04810 
1 1 1 13 4  66  o 48.15846 14.72381 0.1988588      0.1069891     0.1840537      0.1521080     0.2133556      0.1505155     46.26369 17.45154 48.75607 17.53426 -2.492378      24.73876 
1 1 1 13 4  67  o 35.96896 12.65205 0.1008089      0.7795244E-01 0.7198225E-01  0.1117286     0.1281503      0.1088120     35.00513 14.38908 39.90881 14.81837 -4.903679      20.65501 
1 1 1 13 4  68  o 32.82670 12.70562 0.7500111E-01  0.8201277E-01 0.5004401E-01  0.1265849     0.9305552E-01  0.1076656     34.02681 14.70693 36.05986 14.37473 -2.033058      20.56518 
1 1 1 13 4  69  o 38.53167 13.23290 0.1279946      0.8502969E-01 0.1690186      0.1254892     0.9317143E-01  0.1156168     42.51642 15.88836 35.80909 14.66883 6.707329       21.62440 
1 1 1 13 4  70  o 74.43053 12.54811 0.4788260      0.1243770     0.4831264      0.1686384     0.4736964      0.1841783     67.45993 17.83311 64.07890 19.25865 3.381027       26.24720 
1 1 1 13 4  71  o 56.01163 13.75218 0.2970469      0.1055807     0.3043256      0.1614328     0.2916063      0.1395693     49.63889 18.11372 50.68543 16.95748 -1.046539      24.81256 
1 1 1 13 4  72  o 45.38422 14.35900 0.2173930      0.1008127     0.2053063      0.1545706     0.2263406      0.1329918     40.35559 16.78690 43.12602 16.30604 -2.770428      23.40271 
1 1 1 13 4  73  o 67.65627 13.91444 0.4709440      0.1256508     0.5359942      0.1930221     0.4231076      0.1655244     57.00188 19.91691 53.20097 18.45193 3.800911       27.15063 
1 1 1 13 4  74  o 31.82393 12.92581 0.1124853      0.8881620E-01 0.1783855      0.1395574     0.6762484E-01  0.1151441     34.87004 15.25176 28.75381 13.11013 6.116236       20.11198 
1 1 1 13 4  75  o 34.13579 13.63101 0.1623512      0.9696490E-01 0.4036426      0.1506435     -0.8337541E-02 0.1267015     46.09085 17.37190 24.56664 11.92344 21.52421       21.07015 
1 1 1 13 4  76  o 46.77603 15.62256 0.3671222      0.1184580     0.3422352      0.1825046     0.3852395      0.1557162     33.38507 15.66024 38.79668 16.53094 -5.411606      22.77093 
1 1 1 13 4  77  o 35.95112 14.52302 0.2849085      0.1114679     0.3221571      0.1716548     0.2577483      0.1465775     29.51140 14.21390 29.27164 13.82454 0.2397671      19.82808 
1 1 1 13 4  78  o 28.04086 12.75447 0.2262921      0.1081565     0.1016146      0.1656720     0.3188962      0.1427809     21.74448 11.01325 27.79836 13.27542 -6.053877      17.24901 
1 1 1 13 4  79  o 19.91174 9.851455 0.9329680E-01  0.1002694     0.1609552      0.1390077     0.1991021E-01  0.1447726     20.44725 10.32467 18.34046 9.379664 2.106792       13.94908 
1 1 1 13 4  80  o 20.78001 10.47268 0.3411238      0.1392208     0.3504000      0.2148139     0.3344057      0.1828112     18.24314 9.425291 18.77616 9.654298 -0.5330162     13.49228 
1 1 1 13 4  81  o 15.42787 7.858789 0.6451160E-01  0.9331260E-01 0.2308750      0.1650167     -0.1369098E-01 0.1131382     16.06260 8.297501 14.42726 7.427060 1.635344       11.13597 
1 1 1 13 4  82  o 14.39271 7.354817 0.1017570      0.8741280E-01 0.2003419      0.1374328     0.3477897E-01  0.1132795     14.35311 7.419713 13.37729 6.909134 0.9758196      10.13846 
1 1 1 13 4  83  o 13.20114 6.789542 0.1174268      0.9137542E-01 0.2000841      0.1425014     0.5970888E-01  0.1190787     12.96997 6.733676 12.42730 6.444494 0.5426683      9.320617 
1 1 1 13 4  84  o 11.28465 5.833227 0.3865328E-01  0.8471223E-01 0.7539513E-01  0.1475868     0.2060105E-01  0.1034505     11.27575 5.867801 11.12626 5.775534 0.1494961      8.233340 
1 1 1 13 4  85  o 9.930334 5.165012 -0.3663077E-02 0.1045957     0.1174197      0.1519243     -0.1127731     0.1442176     10.20516 5.314140 9.747401 5.076078 0.4577618      7.348922 
1 1 1 13 4  86  o 9.052729 4.713887 0.1150378      0.1186741     0.3662822      0.1737677     -0.1045801     0.1624631     9.202768 4.791534 8.697191 4.527864 0.5055771      6.592446 
1 1 1 13 4  87  o 7.474729 3.888899 -0.3653367E-01 0.6178400E-01 -0.7820389E-02 0.1222664     -0.4637989E-01 0.7159790E-01 7.681792 3.999438 7.495111 3.901851 0.1866808      5.587481 
1 1 1 13 4  88  o 6.807194 3.544987 0.3773356E-01  0.8054767E-01 0.1209958      0.1278705     -0.1703716E-01 0.1037099     6.841562 3.558154 6.714570 3.494917 0.1269927      4.987475 
1 1 1 13 4  89  o 5.945963 3.089933 0.2065655      0.1095319     0.2031033      0.1615231     0.2095129      0.1490327     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  90  o ?        ?        0.5560566E-01  0.8386665E-01 -0.1023665E-01 0.1191206     0.1203209      0.1180967     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  91  o ?        ?        0.3459064E-01  0.8127613E-01 -0.5177941E-01 0.1199709     0.1078574      0.1104963     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  92  o ?        ?        -0.2383748E-01 0.7907498E-01 -0.7743085E-01 0.1169134     0.2135077E-01  0.1073548     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  93  o ?        ?        0.1092286      0.9090909E-01 0.1406395      0.1324185     0.8122542E-01  0.1250293     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  94  o ?        ?        -0.3828323E-01 0.6398972E-01 0.3036434E-01  0.1077251     -0.7571194E-01 0.7954388E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 4  95  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 5  0   o 160.7930 27.49998 2.071348       0.5569532     0.000000       0.000000      2.071348       0.5569532     160.7930 27.49998 160.7930 27.49998 0.000000       0.000000 
1 1 1 13 5  1   o 110.6214 18.45296 0.9331254      0.2719366     1.071331       0.3839258     0.7939793      0.3852304     114.5208 24.98164 96.80537 27.51850 17.71544       37.16652 
1 1 1 13 5  2   o 106.3441 18.69376 0.8659401      0.2644842     0.8363594      0.3703334     0.8967344      0.3778543     99.97840 26.42562 103.6331 26.34709 -3.654732      37.31599 
1 1 1 13 5  3   o 119.4603 18.27494 1.083835       0.2918668     1.048971       0.4100604     1.119632       0.4155176     111.9013 26.87589 115.9810 26.52238 -4.079628      37.75911 
1 1 1 13 5  4   o 174.9909 17.40194 2.288800       0.4149083     2.336230       0.5835441     2.240306       0.5900480     169.6492 25.71682 165.0556 26.80916 4.593658       37.14951 
1 1 1 13 5  5   o 111.7828 18.54040 0.9542114      0.2761469     0.8423133      0.3862314     1.071234       0.3949767     99.73783 27.26448 113.8829 25.72463 -14.14509      37.48478 
1 1 1 13 5  6   o 228.3786 17.32242 3.887026       0.5421948     3.039324       0.7524456     4.802545       0.7819645     189.0657 29.80954 247.0390 23.19525 -57.97327      37.77074 
1 1 1 13 5  7   o 163.8612 17.53888 2.013814       0.3906782     1.959774       0.5429563     2.071829       0.5625706     154.3649 26.42297 158.5910 26.63395 -4.226089      37.51720 
1 1 1 13 5  8   o 320.8526 17.31338 7.664244       0.7642136     8.027951       1.077880      7.296620       1.083666      316.5677 24.85834 298.9485 26.52750 17.61920       36.35443 
1 1 1 13 5  9   o 174.1100 14.01842 2.210032       0.3341684     2.889586       0.4085571     0.8365612      0.5808322     198.4596 15.02005 95.59572 34.43777 102.8638       37.57076 
1 1 1 13 5  10  o 224.6757 17.43031 3.776305       0.5365205     3.175369       0.7403717     4.440864       0.7785786     194.2644 28.44317 235.5657 24.28425 -41.30136      37.39972 
1 1 1 13 5  11  o 196.0680 17.68826 2.889077       0.4737270     4.120512       0.6679547     1.642810       0.6719657     230.4088 21.23363 130.6362 36.06644 99.77261       41.85278 
1 1 1 13 5  12  o 160.2383 17.83530 1.939654       0.3879294     2.188875       0.5337275     1.660548       0.5648220     164.7728 24.17739 137.3064 30.57581 27.46640       38.97982 
1 1 1 13 5  13  o 150.7322 14.27762 1.667175       0.2936238     1.673990       0.3505240     1.651145       0.5376002     149.0000 17.36262 138.1644 29.09824 10.83568       33.88462 
1 1 1 13 5  14  o 98.06300 19.29012 0.7503413      0.2518973     1.112746       0.3373989     0.2939542      0.3786286     118.4979 21.40819 67.44447 26.93432 51.05340       34.40593 
1 1 1 13 5  15  o 97.06081 19.65285 0.7396933      0.2543613     0.7420840      0.3378804     0.7365663      0.3864306     93.73257 25.45030 91.93960 27.95554 1.792969       37.80516 
1 1 1 13 5  16  o 118.0989 14.70483 1.034675       0.2346036     1.089997       0.2784599     0.8993530      0.4355072     119.7050 17.35252 100.2116 29.49447 19.49338       34.22037 
1 1 1 13 5  17  o 113.1047 19.26868 0.9966309      0.2901460     0.9892865      0.3901678     1.005717       0.4339764     107.4586 26.46874 106.4128 28.82241 1.045753       39.13216 
1 1 1 13 5  18  f 132.6991 14.95528 1.308937       0.2692534     1.246595       0.3199137     1.460365       0.4985873     126.9449 18.82079 128.9640 28.73394 -2.019058      34.34911 
1 1 1 13 5  19  o 116.5078 27.75598 1.187341       0.4401633     1.187341       0.4401633     0.000000       0.000000      116.5078 27.75598 ?        ?        0.000000       27.75598 
1 1 1 13 5  20  o 183.2680 26.99931 2.860276       0.6627753     2.860276       0.6627753     0.000000       0.000000      183.2680 26.99931 ?        ?        0.000000       26.99931 
1 1 1 13 5  21  o 132.0537 18.14643 1.344867       0.3221415     1.344867       0.3221415     0.000000       0.000000      132.0537 18.14643 ?        ?        0.000000       18.14643 
1 1 1 13 5  22  o 174.3805 13.90218 2.241806       0.3319669     2.278863       0.4103347     2.171603       0.5647732     172.7664 17.43915 159.2392 26.62546 13.52719       31.82828 
1 1 1 13 5  23  o 120.4468 12.61942 1.063704       0.2067642     1.469381       0.2926967     0.6596194      0.2921216     139.8625 15.41162 88.34005 23.52747 51.52248       28.12579 
1 1 1 13 5  24  o 182.1454 10.66852 2.385645       0.2671539     2.504538       0.3418517     2.199116       0.4281885     184.4586 13.51559 168.0921 18.76844 16.36653       23.12845 
1 1 1 13 5  25  o 241.0755 10.63838 4.169180       0.3541330     4.144144       0.4525236     4.208741       0.5688350     236.9074 13.89404 234.0718 17.73108 2.835617       22.52633 
1 1 1 13 5  26  o 194.5403 11.91350 2.752457       0.3184853     2.594416       0.3686428     3.217591       0.6324247     186.6884 14.41204 196.5445 23.78712 -9.856155      27.81248 
1 1 1 13 5  27  o 158.2628 12.09267 1.829112       0.2622644     1.881782       0.3053324     1.680912       0.5121709     159.0504 14.04710 136.7500 28.06438 22.30038       31.38360 
1 1 1 13 5  28  o 105.1976 11.35897 0.8080525      0.1623809     0.7828707      0.2107790     0.8448175      0.2546834     101.2088 15.58235 103.2459 18.54613 -2.037094      24.22331 
1 1 1 13 5  29  o 157.9616 10.78650 1.804803       0.2338656     1.820726       0.3042641     1.781816       0.3655877     156.0501 14.27873 151.2206 17.85253 4.829559       22.86033 
1 1 1 13 5  30  o 161.8459 10.04245 1.884113       0.2233212     1.932034       0.3110945     1.833162       0.3207757     160.7891 14.15628 155.7924 15.10096 4.996689       20.69877 
1 1 1 13 5  31  o 157.7762 10.10883 1.792808       0.2190735     1.633162       0.3044456     1.964238       0.3154826     146.7842 15.24307 161.9628 14.25171 -15.17868      20.86774 
1 1 1 13 5  32  o 211.0114 9.866280 3.191511       0.2874732     3.375371       0.4037839     3.002529       0.4093708     212.9408 13.80702 199.5402 14.96663 13.40065       20.36255 
1 1 1 13 5  33  o 253.8915 9.847465 4.622317       0.3452317     4.739655       0.4853896     4.502191       0.4911235     252.0561 14.00133 244.8653 14.59153 7.190781       20.22251 
1 1 1 13 5  34  o 189.7954 12.62888 2.656615       0.3290805     3.188315       0.4653771     2.124857       0.4654032     203.2388 16.73154 160.3703 21.56329 42.86858       27.29322 
1 1 1 13 5  35  o 193.4967 15.09148 2.837941       0.4000331     2.929643       0.4764004     2.618689       0.7366391     192.9547 18.09170 159.0261 34.53570 33.92863       38.98748 
1 1 1 13 5  36  o 95.07602 18.17442 0.7244455      0.2299021     0.8832693      0.2669685     0.2686415      0.4522631     104.3861 19.23019 65.17245 27.98079 39.21363       33.95180 
1 1 1 13 5  37  o 130.1360 11.61555 1.243311       0.2065315     1.318662       0.2626324     1.121195       0.3343391     131.7846 14.68222 115.5036 21.76130 16.28101       26.25113 
1 1 1 13 5  38  o 133.6136 10.39264 1.295521       0.1902322     1.416457       0.2685761     1.173767       0.2694842     136.7664 14.43997 122.9769 16.26924 13.78952       21.75318 
1 1 1 13 5  39  o 84.19439 13.35649 0.5363631      0.1500952     0.6781407      0.1926532     0.3173927      0.2394225     93.58574 15.44731 62.28258 22.14460 31.30316       27.00005 
1 1 1 13 5  40  o 217.5433 11.05239 3.446279       0.3309105     3.499895       0.4264273     3.365120       0.5246513     215.3703 14.42241 205.3889 18.70432 9.981384       23.61900 
1 1 1 13 5  41  o 78.26718 14.08068 0.4695424      0.1465789     0.4499829      0.1889604     0.4990941      0.2322641     74.10789 18.51815 76.40993 21.24475 -2.302048      28.18264 
1 1 1 13 5  42  o 107.4700 12.08816 0.8562234      0.1762713     0.9700189      0.2283338     0.6883694      0.2773153     112.4224 15.08980 88.97646 22.54439 23.44592       27.12843 
1 1 1 13 5  43  o 96.78682 12.41851 0.6986164      0.1621396     0.8467148      0.2630462     0.6078699      0.2059074     101.7092 19.43848 86.97299 17.74640 14.73616       26.32089 
1 1 1 13 5  44  o 82.92875 14.74095 0.5304952      0.1626136     0.4841989      0.2388970     0.5704651      0.2219750     74.93626 21.78500 82.87254 19.68924 -7.936287      29.36413 
1 1 1 13 5  45  o 68.42027 13.87100 0.3599280      0.1265624     0.3190699      0.1674562     0.4143599      0.1932811     62.60475 18.25029 70.70304 19.27044 -8.098293      26.54097 
1 1 1 13 5  46  o 71.04890 13.91246 0.3875781      0.1316052     0.4370237      0.1727733     0.3192344      0.2031244     73.74323 17.27094 62.23671 20.44261 11.50652       26.76165 
1 1 1 13 5  47  o 71.97440 12.57591 0.3906840      0.1204349     0.4211409      0.1713056     0.3609175      0.1693526     72.30685 17.37392 66.59392 17.99150 5.712929       25.01094 
1 1 1 13 5  48  o 61.09901 14.48026 0.2907894      0.1202984     0.2053335      0.1867487     0.3514016      0.1572774     52.83658 19.45163 66.07576 17.10464 -13.23918      25.90240 
1 1 1 13 5  49  o 29.63081 12.39037 0.2074288E-01  0.8483671E-01 0.1962805      0.1332813     -0.9882130E-01 0.1099980     50.49680 16.55791 25.83094 12.12986 24.66586       20.52554 
1 1 1 13 5  50  o 56.54610 16.01878 0.2537311      0.1307689     0.2674529      0.1836572     0.2396207      0.1862401     57.68830 19.45152 55.41270 19.54915 2.275597       27.57772 
1 1 1 13 5  51  o 110.6604 13.84490 0.9289141      0.2069234     1.001410       0.2912746     0.8550495      0.2940122     110.0637 19.89791 99.69740 21.95125 10.36628       29.62742 
1 1 1 13 5  52  f 124.2640 13.51948 1.166752       0.2282332     1.305408       0.3224778     1.027592       0.3230641     126.5066 19.05167 109.0603 22.20744 17.44632       29.25981 
1 1 1 13 5  53  o 151.1342 11.59509 1.687341       0.2401328     1.790284       0.3793460     1.618508       0.3101941     148.0454 18.99488 144.0440 15.85823 4.001358       24.74448 
1 1 1 13 5  54  o 106.5628 12.49314 0.8543955      0.1803412     0.9174577      0.2854928     0.8125247      0.2326304     103.6407 20.67410 100.1958 17.44830 3.444969       27.05294 
1 1 1 13 5  55  o 88.47800 12.29336 0.5920691      0.1461327     0.6594558      0.2100008     0.5288029      0.2034791     89.65910 17.59077 79.05737 18.89660 10.60174       25.81699 
1 1 1 13 5  56  o 62.89314 14.99604 0.3181323      0.1283976     0.4432946      0.2033400     0.2351348      0.1655842     71.05354 19.92153 53.55744 18.46208 17.49610       27.16092 
1 1 1 13 5  57  o 68.45309 14.58204 0.3752627      0.1336115     0.3842468      0.2117442     0.3693190      0.1722287     65.13271 20.83165 65.45990 18.32761 -0.3271866     27.74633 
1 1 1 13 5  58  o 29.90399 12.67751 0.2081986E-01  0.9077601E-01 0.6609590E-01  0.1438513     -0.9139979E-02 0.1170171     38.63084 16.14235 31.06199 13.76062 7.568855       21.21156 
1 1 1 13 5  59  o 59.39046 16.62679 0.3019699      0.1417526     0.3669425      0.2863755     0.2808845      0.1631404     60.94543 23.69942 56.45891 18.30917 4.486526       29.94809 
1 1 1 13 5  60  o 74.04195 18.66728 0.4948818      0.1908040     0.7318704      0.3307484     0.3766733      0.2335922     80.13766 26.07436 61.60639 21.87661 18.53127       34.03613 
1 1 1 13 5  61  o 116.2777 17.02422 1.166802       0.2652426     1.770813       0.4605304     0.8669861      0.3244618     125.3447 27.37481 88.10587 25.32352 37.23882       37.29157 
1 1 1 13 5  62  o 55.84065 15.34326 0.2715472      0.1219506     0.2399861      0.1879453     0.2944978      0.1602703     50.79387 19.34134 55.97609 18.14685 -5.182220      26.52161 
1 1 1 13 5  63  o 70.33580 15.38077 0.4325363      0.1452183     0.6039791      0.2264030     0.3127005      0.1892849     76.37283 20.87319 55.38293 19.69005 20.98990       28.69475 
1 1 1 13 5  64  o 67.08686 15.58696 0.4053413      0.1416357     0.4145432      0.2200714     0.3988348      0.1850551     60.16734 21.24810 61.70474 19.44709 -1.537403      28.80401 
1 1 1 13 5  65  o 30.40717 13.24615 0.2918609E-01  0.1043234     0.4310229E-01  0.2258295     0.2541061E-01  0.1176267     38.66299 17.89356 31.34750 13.84620 7.315493       22.62514 
1 1 1 13 5  66  o 41.09685 15.99992 0.1600650      0.1306447     0.1893144      0.1965279     0.1369044      0.1748801     43.10940 18.47487 40.01255 17.29018 3.096855       25.30358 
1 1 1 13 5  67  o 20.63102 9.881809 -0.7562930E-01 0.8038507E-01 -0.1139842     0.1084007     -0.2876925E-01 0.1198182     22.79901 11.05706 27.52308 12.83809 -4.724070      16.94329 
1 1 1 13 5  68  o 33.51230 13.50453 0.9881245E-01  0.9612525E-01 0.1772207      0.1362649     0.2114382E-01  0.1356207     39.77339 16.06077 30.28089 13.96224 9.492506       21.28127 
1 1 1 13 5  69  o 58.52719 15.79963 0.3856512      0.1306634     0.4048197      0.1864657     0.3671581      0.1831508     50.29935 19.23833 48.03223 18.87394 2.267113       26.95068 
1 1 1 13 5  70  o 38.11314 14.82983 0.1847202      0.1121857     0.2945714      0.1770555     0.1110354      0.1450093     40.80912 17.51366 32.28285 14.71656 8.526268       22.87587 
1 1 1 13 5  71  o 32.77877 14.09578 0.1423863      0.1151068     0.9212983E-01  0.1800328     0.1771357      0.1497027     30.08348 14.50640 33.61971 15.17707 -3.536224      20.99474 
1 1 1 13 5  72  o 35.62013 14.92027 0.2238038      0.1233179     0.1969452      0.1923853     0.2425358      0.1606653     30.67797 14.84252 33.52857 15.36242 -2.850605      21.36129 
1 1 1 13 5  73  o 34.42318 14.91960 0.2733561      0.1309994     0.3039594      0.2046593     0.2521150      0.1705047     29.73420 14.58614 29.94473 14.35581 -0.2105350     20.46570 
1 1 1 13 5  74  o 21.92663 10.46131 0.4542428E-01  0.8822306E-01 0.1239922      0.1225662     -0.3904950E-01 0.1270892     24.79278 11.95878 20.41057 10.24920 4.382208       15.74987 
1 1 1 13 5  75  o 19.24746 9.536083 0.1353579E-01  0.9516653E-01 0.8767430E-01  0.1150541     -0.1470679     0.1693394     21.46303 10.60675 18.48190 9.496405 2.981125       14.23674 
1 1 1 13 5  76  o 17.82755 8.878070 0.3031354E-01  0.8676708E-01 0.1348821      0.1209669     -0.8049681E-01 0.1245248     19.97605 10.02659 16.53599 8.474823 3.440054       13.12841 
1 1 1 13 5  77  f 16.80628 8.413517 0.5644180E-01  0.8253117E-01 0.1281950      0.1276558     0.4912094E-02  0.1081805     17.42004 8.900693 15.83725 8.100173 1.582789       12.03475 
1 1 1 13 5  78  o 16.65218 8.386896 0.1298393      0.8849342E-01 0.1902500E-01  0.1360726     0.2110582      0.1164934     14.62976 7.556608 16.86102 8.605885 -2.231256      11.45267 
1 1 1 13 5  79  o 12.92379 6.598679 0.1048426E-01  0.6904642E-01 0.1248703      0.1021454     -0.8575620E-01 0.9369387E-01 14.24643 7.322202 12.12560 6.263384 2.120830       9.635592 
1 1 1 13 5  80  o 12.81449 6.568258 0.6612228E-01  0.7503744E-01 -0.1692756E-01 0.1086183     0.1419448      0.1037846     11.93077 6.186378 13.14078 6.780124 -1.210011      9.178308 
1 1 1 13 5  81  o 11.82906 6.119268 0.1147424      0.9439241E-01 0.6434416E-01  0.1379455     0.1591186      0.1294420     11.27822 5.866846 11.66914 6.064764 -0.3909187     8.438083 
1 1 1 13 5  82  o 10.30050 5.354242 0.6855728E-01  0.1026975     0.2736780E-01  0.1358829     0.1234259      0.1568317     10.09992 5.258482 10.27344 5.349730 -0.1735182     7.501416 
1 1 1 13 5  83  o 8.750912 4.554789 -0.3709222E-01 0.9472063E-01 0.1704942      0.1289875     -0.2800505     0.1395449     9.226412 4.804798 8.485885 4.418973 0.7405272      6.527894 
1 1 1 13 5  84  o 8.122786 4.229219 0.1192387      0.9040388E-01 0.1389148      0.1431195     0.1061757      0.1166141     7.964896 4.145977 7.980669 4.156033 -0.1577330E-01 5.870412 
1 1 1 13 5  85  o 7.019157 3.655417 0.6240071E-01  0.8309781E-01 0.6788250E-01  0.1321528     0.5881583E-01  0.1068691     6.955524 3.617429 6.969069 3.627769 -0.1354551E-01 5.123134 
1 1 1 13 5  86  o 5.957509 3.101603 0.3511692E-02  0.7667512E-01 0.3193410E-01  0.1217808     -0.1515528E-01 0.9869280E-01 ?        ?        5.942846 3.090719 0.000000       3.090719 
1 1 1 13 5  87  o 5.087738 2.644878 0.1911904E-01  0.7578854E-01 0.1925008E-01  0.1057678     0.1898076E-01  0.1086528     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 5  88  o ?        ?        0.5186999E-01  0.7864472E-01 0.1896129      0.1097351     -0.9359134E-01 0.1127677     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 5  89  o ?        ?        0.3384768E-01  0.7410254E-01 -0.5094510E-01 0.1076400     0.1102379      0.1021676     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 5  90  o ?        ?        0.7553379E-02  0.7156038E-01 0.1046407E-01  0.1047839     0.5009274E-02  0.9796333E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 5  91  f ?        ?        0.2574044E-01  0.7435763E-01 0.4512236E-01  0.1104544     0.9676590E-02  0.1005563     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 5  92  o ?        ?        0.8276074E-01  0.1372840     0.000000       0.000000      0.8276074E-01  0.1372840     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  0   o 64.50262 29.76749 0.4712459      0.2918101     0.000000       0.000000      0.4712459      0.2918101     64.50262 29.76749 64.50262 29.76749 0.000000       0.000000 
1 1 1 13 6  1   o 130.8818 18.55584 1.337474       0.3259586     1.508963       0.4614184     1.166641       0.4605331     132.0257 26.23484 112.4277 29.35015 19.59795       39.36621 
1 1 1 13 6  2   o 119.2980 18.86637 1.118384       0.3004486     1.209754       0.4233560     1.025671       0.4264581     117.3016 26.73283 105.9319 28.52125 11.36965       39.09100 
1 1 1 13 6  3   o 116.1733 18.98985 1.063351       0.2940979     0.9308534      0.4113268     1.201933       0.4206648     100.8658 28.35272 116.9716 26.64050 -16.10577      38.90492 
1 1 1 13 6  4   o 163.2147 17.87363 2.056479       0.3962335     1.929890       0.5533540     2.189686       0.5676366     147.3254 28.22880 158.7864 26.84624 -11.46106      38.95620 
1 1 1 13 6  5   o 116.1507 18.95499 1.063252       0.2935197     1.418595       0.4101019     0.6900437      0.4202846     130.2919 23.66655 86.22399 29.42359 44.06788       37.76047 
1 1 1 13 6  6   o 161.3345 18.16272 2.018174       0.3975819     1.478675       0.5494987     2.610896       0.5759660     123.8949 31.92198 176.6420 24.25389 -52.74709      40.09070 
1 1 1 13 6  7   o 113.2596 27.08559 1.141928       0.4178808     1.141928       0.4178808     0.000000       0.000000      113.2596 27.08559 ?        ?        0.000000       27.08559 
1 1 1 13 6  8   o 258.4381 26.46166 5.761265       0.9309877     5.761265       0.9309877     0.000000       0.000000      258.4381 26.46166 ?        ?        0.000000       26.46166 
1 1 1 13 6  9   o 192.8546 17.66713 2.866699       0.4652432     2.866699       0.4652432     0.000000       0.000000      192.8546 17.66713 ?        ?        0.000000       17.66713 
1 1 1 13 6  10  o 215.3972 26.57041 4.024204       0.7735199     4.024204       0.7735199     0.000000       0.000000      215.3972 26.57041 ?        ?        0.000000       26.57041 
1 1 1 13 6  11  o 126.8837 18.15750 1.258287       0.3090554     1.258287       0.3090554     0.000000       0.000000      126.8837 18.15750 ?        ?        0.000000       18.15750 
1 1 1 13 6  12  f 74.44051 19.96856 0.4531008      0.2095002     0.4990626      0.2818897     0.3963903      0.3131213     76.21886 23.99921 69.32591 25.23789 6.892952       34.82690 
1 1 1 13 6  13  o 85.91675 20.33928 0.6048852      0.2375562     0.5484042      0.3190272     0.6751766      0.3558995     78.85989 25.60571 86.21910 26.93682 -7.359215      37.16510 
1 1 1 13 6  14  o 106.7383 15.79343 0.8716306      0.2257468     0.6832135      0.2696043     1.313616       0.4129241     90.35018 21.84967 123.1965 25.12510 -32.84631      33.29683 
1 1 1 13 6  15  o 170.2493 12.27652 2.122091       0.2866653     2.193121       0.3284432     1.894951       0.5873353     171.6624 13.97767 141.2147 30.97312 30.44772       33.98102 
1 1 1 13 6  16  o 230.1601 14.24403 3.947003       0.4504653     4.214298       0.5499297     3.401906       0.7853242     234.0879 17.13237 190.2714 30.95496 43.81654       35.37977 
1 1 1 13 6  17  o 178.8571 14.51430 2.396283       0.3553679     2.931026       0.4346006     1.317368       0.6173216     196.0632 16.19805 109.4281 35.62304 86.63514       39.13282 
1 1 1 13 6  18  o 185.8264 14.45683 2.585749       0.3680330     2.968286       0.4475006     1.786255       0.6469404     196.7411 16.62827 130.1233 35.16837 66.61783       38.90133 
1 1 1 13 6  19  o 115.7454 15.67126 1.024981       0.2440240     1.337690       0.2932047     0.3202054      0.4401761     131.7801 16.47311 67.54077 28.23126 64.23933       32.68589 
1 1 1 13 6  20  o 58.65401 17.60957 0.2728381      0.1540471     0.2214731      0.1779909     0.4261563      0.3075111     54.25233 19.11437 70.52147 25.09422 -16.26913      31.54488 
1 1 1 13 6  21  o 69.63256 17.76471 0.3894493      0.1713606     0.3235209      0.1992398     0.5768221      0.3358871     63.04315 20.21181 79.66525 26.29349 -16.62210      33.16421 
1 1 1 13 6  22  f 131.9836 15.25681 1.325870       0.2729248     1.865164       0.3276439     0.1034788      0.4932808     156.6651 15.34271 61.74030 27.74028 94.92479       31.70050 
1 1 1 13 6  23  o 107.7458 16.00970 0.8965696      0.2309477     0.8840125      0.2729074     0.9282485      0.4334708     104.2923 19.67204 97.30811 29.61272 6.984200       35.55141 
1 1 1 13 6  24  o 138.0503 15.10218 1.449148       0.2831868     1.837165       0.3409435     0.5859345      0.5085296     154.5217 16.22122 78.30270 31.23229 76.21905       35.19352 
1 1 1 13 6  25  o 95.34138 16.44476 0.7099873      0.2086739     0.9353464      0.2487436     0.1745829      0.3834028     109.2505 17.04531 59.61060 25.68018 49.63989       30.82230 
1 1 1 13 6  26  o 118.8686 15.65262 1.086269       0.2506686     1.381205       0.3026178     0.4415054      0.4474352     133.1994 16.82887 71.78579 29.06258 61.41366       33.58339 
1 1 1 13 6  27  f 56.44891 17.61599 0.2526670      0.1522605     0.4397864      0.1799565     -0.2188025     0.2856505     73.78568 17.85561 40.62882 19.22223 33.15686       26.23580 
1 1 1 13 6  28  o 65.09808 17.40706 0.3412911      0.1595006     0.4795106      0.1838464     -0.7937392E-01 0.3207294     77.21618 17.63041 47.28661 21.68063 29.92957       27.94425 
1 1 1 13 6  29  o 91.60413 13.73588 0.6356143      0.1683875     0.4156005      0.2367574     0.8608279      0.2395388     69.70264 21.99971 104.4425 17.20915 -34.73986      27.93103 
1 1 1 13 6  30  o 145.1696 11.22655 1.540457       0.2232908     1.346571       0.3509847     1.672282       0.2894103     127.8381 20.58200 148.8304 14.25712 -20.99223      25.03765 
1 1 1 13 6  31  o 94.36903 10.72521 0.6519800      0.1372744     0.5356346      0.1898716     0.7793962      0.1986997     81.81611 17.34505 100.9416 14.68636 -19.12550      22.72752 
1 1 1 13 6  32  o 132.7116 10.17706 1.276407       0.1850751     1.575297       0.2604400     0.9714943      0.2630509     145.3146 13.12111 110.4549 17.85640 34.85967       22.15885 
1 1 1 13 6  33  f 149.7377 10.07946 1.622020       0.2071914     1.677378       0.2910933     1.565177       0.2949710     148.9099 14.33406 143.0832 15.16071 5.826675       20.86414 
1 1 1 13 6  34  o 74.79807 11.91933 0.4180349      0.1189745     0.3294123      0.1652803     0.5133385      0.1713970     63.63931 18.00220 80.87378 15.91498 -17.23447      24.02844 
1 1 1 13 6  35  o 89.19099 10.91467 0.5845417      0.1316168     0.6421462      0.1856595     0.5263442      0.1866127     91.06445 15.30801 81.13902 17.19058 9.925430       23.01849 
1 1 1 13 6  36  o 52.56402 13.45298 0.2130843      0.9805262E-01 0.1924323      0.1357378     0.2356208      0.1417952     50.18599 16.72209 54.61769 16.99250 -4.431698      23.84058 
1 1 1 13 6  37  o 174.0294 14.41936 2.289015       0.3433813     2.348235       0.4276216     2.181507       0.5761667     171.9070 18.29592 152.8275 28.34663 19.07953       33.73829 
1 1 1 13 6  38  f 175.5055 14.40742 2.326794       0.3460719     2.143196       0.4287196     2.670182       0.5863161     162.8894 19.44523 174.1318 25.11041 -11.24245      31.75924 
1 1 1 13 6  39  o 128.5844 15.25765 1.266933       0.2656171     1.362083       0.3333199     1.101381       0.4396666     129.8877 19.16008 106.1372 29.12077 23.75050       34.85868 
1 1 1 13 6  40  o 94.43435 13.67967 0.6750190      0.1731842     0.6613997      0.2037312     0.7104973      0.3288209     91.56457 16.73009 87.87848 25.56140 3.686089       30.54965 
1 1 1 13 6  41  o 58.59864 14.27021 0.2669667      0.1143912     0.2264640      0.1369129     0.3606082      0.2081790     53.68204 16.69674 65.62062 20.61798 -11.93858      26.53078 
1 1 1 13 6  42  o 76.98555 14.32694 0.4562188      0.1466954     0.4194134      0.1740346     0.5465459      0.2726399     71.96596 17.64821 78.49763 23.39536 -6.531677      29.30533 
1 1 1 13 6  43  f 47.72174 15.63813 0.1727654      0.1188923     0.1697069      0.1488838     0.1781487      0.1975220     48.42144 17.43632 51.21856 19.74772 -2.797123      26.34383 
1 1 1 13 6  44  o 119.1650 12.93333 1.062677       0.2093961     1.046991       0.2908050     1.079566       0.3017604     113.2685 19.28419 114.5996 19.78473 -1.331024      27.62817 
1 1 1 13 6  45  o 56.12323 14.95848 0.2479960      0.1180260     0.2828831      0.1625300     0.2090734      0.1716729     58.98061 18.16672 52.44712 18.74042 6.533485       26.10044 
1 1 1 13 6  46  o 33.42994 12.91958 0.6092905E-01  0.8469868E-01 0.8418769E-01  0.1154044     0.3377319E-01  0.1246988     38.58917 15.03383 35.47073 14.93803 3.118443       21.19341 
1 1 1 13 6  47  o 54.69416 13.61830 0.2330823      0.1024539     0.1491058      0.1427185     0.3223759      0.1471673     46.03037 16.99466 63.06897 16.65293 -17.03860      23.79367 
1 1 1 13 6  48  o 45.16200 13.67659 0.1570562      0.9262624E-01 0.3282044      0.1303533     -0.1749489E-01 0.1316428     64.32861 14.95814 32.83450 14.56815 31.49411       20.88006 
1 1 1 13 6  49  o 91.91183 11.48098 0.6310188      0.1425316     0.7248936      0.2003029     0.5347303      0.2028616     95.66783 15.70829 79.70837 18.74588 15.95947       24.45728 
1 1 1 13 6  50  o 46.94691 14.37984 0.1730083      0.1019950     0.8639349E-01  0.1324773     0.2990780      0.1598273     39.74921 15.91144 59.67852 17.94136 -19.92931      23.98054 
1 1 1 13 6  51  o 80.65132 13.37154 0.5052938      0.1436960     0.5204007      0.1873351     0.4837005      0.2239707     78.75523 17.66222 73.06779 21.05079 5.687431       27.47889 
1 1 1 13 6  52  o 60.41251 14.82749 0.2966502      0.1227698     0.1547975      0.1591848     0.5048889      0.1928695     46.21148 17.75149 76.42670 18.47923 -30.21523      25.62416 
1 1 1 13 6  53  o 57.71629 15.03693 0.2745238      0.1210405     0.3028498      0.1574586     0.2336067      0.1892457     59.02692 17.82199 52.63886 19.54284 6.388058       26.44893 
1 1 1 13 6  54  o 47.74368 17.19346 0.1860109      0.1447678     0.1038671      0.1766266     0.3541428      0.2526933     42.88509 17.90071 60.27279 22.54179 -17.38770      28.78485 
1 1 1 13 6  55  o 50.85330 17.12839 0.2235564      0.1424063     0.2119013      0.1769188     0.2450034      0.2399930     49.88842 18.82054 52.86223 21.32555 -2.973808      28.44279 
1 1 1 13 6  56  o 42.98281 16.38904 0.1432070      0.1350613     0.1629718      0.1671521     0.1060313      0.2292425     45.52042 17.98487 44.63962 19.53559 0.8807945      26.55362 
1 1 1 13 6  57  o 29.39012 12.49742 0.2541032E-01  0.8866883E-01 -0.7899740E-01 0.1196714     0.1524979      0.1320310     27.00331 12.67129 43.30162 16.27452 -16.29831      20.62575 
1 1 1 13 6  58  o 36.76093 14.07938 0.9874672E-01  0.9995393E-01 0.4274371E-01  0.1454443     0.1488678      0.1375945     35.60904 15.57268 42.62517 16.46864 -7.016129      22.66549 
1 1 1 13 6  59  o 57.11480 15.40364 0.2953041      0.1242660     0.4663561      0.1861997     0.1579340      0.1668633     67.81449 19.08105 43.29509 17.66585 24.51941       26.00325 
1 1 1 13 6  60  o 35.75314 13.81726 0.9831867E-01  0.9687676E-01 0.9957021E-01  0.1429235     0.9725493E-01  0.1317647     37.87483 15.97368 37.21907 15.49206 0.6557617      22.25224 
1 1 1 13 6  61  o 41.17939 16.14583 0.1583443      0.1337620     0.3559043      0.2642472     0.9028151E-01  0.1551014     50.84811 21.59707 37.03397 16.14160 13.81414       26.96265 
1 1 1 13 6  62  o 56.52842 19.49206 0.3972203      0.1845818     0.6299888      0.3272122     0.2885790      0.2235448     56.89441 24.09171 46.66480 19.84325 10.22961       31.21162 
1 1 1 13 6  63  o 47.46725 16.49583 0.2541115      0.1323214     0.2048185      0.1843611     0.3064820      0.1900291     41.39342 17.81998 47.27110 19.00920 -5.877678      26.05574 
1 1 1 13 6  64  o 33.61193 14.09393 0.1040092      0.1102259     0.4860743E-01  0.1552367     0.1603432      0.1565373     31.85575 14.77567 37.41367 16.26244 -5.557920      21.97243 
1 1 1 13 6  65  o 25.93539 11.70650 0.2216216E-01  0.8902958E-01 0.1034681      0.1328152     -0.4418319E-01 0.1199753     32.67223 14.55672 25.13394 12.04754 7.538286       18.89553 
1 1 1 13 6  66  o 35.44881 14.48359 0.1622297      0.1123495     0.2041301      0.1693389     0.1292840      0.1501574     35.56484 16.09050 32.46328 14.86595 3.101555       21.90664 
1 1 1 13 6  67  o 33.05053 14.15532 0.1585696      0.1152444     0.1310221      0.1723619     0.1808413      0.1549806     30.39129 14.53374 32.60368 14.99364 -2.212387      20.88154 
1 1 1 13 6  68  o 30.63829 13.47463 0.1471356      0.1102579     0.1601651      0.1639372     0.1363738      0.1489890     29.42294 14.09797 28.88467 13.72849 0.5382652      19.67801 
1 1 1 13 6  69  o 26.86264 12.38650 0.1196750      0.1067491     0.1657704      0.1566508     0.7971223E-01  0.1458584     27.13195 13.18909 24.86890 12.22252 2.263050       17.98171 
1 1 1 13 6  70  o 25.47462 12.28230 0.1648287      0.1289557     0.1810739      0.1663859     0.1403909      0.2040722     24.66293 12.28405 23.45777 11.91668 1.205168       17.11448 
1 1 1 13 6  71  o 21.58818 10.72192 0.1098079      0.1231496     0.3761746E-01  0.1576484     0.2228256      0.1972529     20.09908 10.23599 22.05023 11.24936 -1.951151      15.20933 
1 1 1 13 6  72  o 21.03160 10.43805 0.1791287      0.1159068     0.6451398E-01  0.1719474     0.2745803      0.1569159     18.32558 9.419163 20.98254 10.63721 -2.656952      14.20813 
1 1 1 13 6  73  o 13.97596 7.112716 -0.5805496E-01 0.7513677E-01 -0.1675215     0.1058584     0.5308615E-01  0.1066650     13.73460 7.075958 16.51175 8.410072 -2.777148      10.99084 
1 1 1 13 6  74  o 14.92403 7.632349 0.4158906E-01  0.9583251E-01 0.4216361E-01  0.1414433     0.4110149E-01  0.1302971     14.85796 7.675433 14.86025 7.664587 -0.2295494E-02 10.84704 
1 1 1 13 6  75  o 13.96141 7.184915 0.8930788E-01  0.1045575     0.5828844E-02  0.1566256     0.1564154      0.1404299     13.25877 6.886816 14.07103 7.288172 -0.8122568     10.02725 
1 1 1 13 6  76  o 12.91283 6.671902 0.9937856E-01  0.1081328     0.1328810      0.1611620     0.7194713E-01  0.1458307     12.71013 6.608475 12.54100 6.516671 0.1691265      9.281106 
1 1 1 13 6  77  o 10.90506 5.653184 -0.3933088E-01 0.8927568E-01 0.6249162E-03  0.1509906     -0.6080737E-01 0.1106985     11.28897 5.875106 10.94828 5.688789 0.3406830      8.177970 
1 1 1 13 6  78  o 9.025639 4.686117 -0.1447088     0.6930523E-01 -0.3506425     0.1013161     0.3639550E-01  0.9501214E-01 8.942757 4.655259 10.42145 5.412233 -1.478698      7.138886 
1 1 1 13 6  79  f 8.603377 4.469645 -0.7974451E-01 0.6738653E-01 0.2599147E-01  0.9919925E-01 -0.1703449     0.9182524E-01 9.271717 4.824812 8.562987 4.457465 0.7087297      6.568699 
1 1 1 13 6  80  o 8.124723 4.228260 -0.1284897E-01 0.7776748E-01 0.2707144E-01  0.1101285     -0.5255450E-01 0.1098317     8.250434 4.296852 8.093493 4.215061 0.1569414      6.019109 
1 1 1 13 6  81  o 7.454405 3.881706 0.1418764      0.1091228     0.3865506      0.1677550     -0.3759506E-01 0.1436743     7.499166 3.898167 7.224788 3.757419 0.2743773      5.414231 
1 1 1 13 6  82  o 6.360594 3.309135 0.4944356E-01  0.1049610     -0.6183293E-01 0.1606821     0.1322647      0.1386233     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  83  f 5.402950 2.807718 -0.7964348E-01 0.9066097E-01 -0.1927727     0.1992060     -0.5009014E-01 0.1018166     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  84  o ?        ?        0.1362293      0.1251702     0.1752092      0.1766355     0.9691033E-01  0.1774019     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  85  f ?        ?        0.2477611E-01  0.5650500E-01 -0.8382703E-01 0.8714658E-01 0.1035522      0.7422095E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  86  o ?        ?        -0.4631954E-02 0.7664209E-01 -0.6618060E-01 0.1196452     0.3819935E-01  0.9980829E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  87  o ?        ?        0.3044551E-01  0.9922349E-01 0.1678169E-01  0.1570351     0.3952597E-01  0.1280160     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  88  o ?        ?        0.1573972      0.1098634     0.1122738      0.1680653     0.1910668      0.1451764     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 6  89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 7  0   o 61.98733 29.52846 0.4516544      0.2889053     0.000000       0.000000      0.4516544      0.2889053     61.98733 29.52846 61.98733 29.52846 0.000000       0.000000 
1 1 1 13 7  1   o 120.8174 18.87151 1.170863       0.3045336     1.225982       0.4275917     1.114125       0.4338270     115.1325 27.30918 107.9087 28.63951 7.223808       39.57288 
1 1 1 13 7  2   o 79.78002 19.94935 0.5287332      0.2191888     0.6881632      0.3109743     0.3713264      0.3089948     87.56609 24.66615 66.71409 24.93155 20.85200       35.07137 
1 1 1 13 7  3   o 74.44946 20.03506 0.4620124      0.2104973     0.3096593      0.2931903     0.6240867      0.3023994     62.87676 24.10588 83.39063 24.58680 -20.51386      34.43261 
1 1 1 13 7  4   o 87.38640 19.89843 0.6311029      0.2347267     0.5949318      0.3306522     0.6678491      0.3332706     80.40955 26.06488 85.14622 25.97751 -4.736671      36.79958 
1 1 1 13 7  5   o 106.7343 19.33530 0.9242138      0.2744736     1.156176       0.3833233     0.6801524      0.3931935     114.1728 25.00658 83.89350 28.46031 30.27926       37.88560 
1 1 1 13 7  6   o 72.74142 24.97268 0.4695441      0.3028116     0.000000       0.000000      0.4695441      0.3028116     ?        ?        72.74142 24.97268 0.000000       24.97268 
1 1 1 13 7  7   o 49.33278 19.90149 0.1368675      0.2090083     0.000000       0.000000      0.1368675      0.2090083     ?        ?        49.33278 19.90149 0.000000       19.90149 
1 1 1 13 7  8   o 48.54569 19.88604 0.1204770      0.2124817     0.000000       0.000000      0.1204770      0.2124817     ?        ?        48.54569 19.88604 0.000000       19.88604 
1 1 1 13 7  9   o 68.87276 19.39150 0.3921244      0.1922425     0.4589306      0.2605580     0.3123086      0.2848004     72.60513 23.09647 62.78537 23.83249 9.819767       33.18786 
1 1 1 13 7  10  o 39.80148 17.18206 0.2285125E-01  0.1723577     0.000000       0.000000      0.2285125E-01  0.1723577     ?        ?        39.80148 17.18206 0.000000       17.18206 
1 1 1 13 7  11  o 50.29771 18.30366 0.1825422      0.1646730     0.1605980      0.2353280     0.2035974      0.2305122     52.13274 21.08706 54.50817 21.24412 -2.375431      29.93287 
1 1 1 13 7  12  o 81.07359 26.39438 0.6117983      0.3388987     0.000000       0.000000      0.6117983      0.3388987     ?        ?        81.07359 26.39438 0.000000       26.39438 
1 1 1 13 7  13  f 140.4081 18.66139 1.575804       0.3528425     1.777816       0.4904591     1.359090       0.5079919     140.6095 26.22570 116.1698 31.06577 24.43964       40.65549 
1 1 1 13 7  14  o 108.9834 29.16619 1.155874       0.4475643     0.000000       0.000000      1.155874       0.4475643     ?        ?        108.9834 29.16619 0.000000       29.16619 
1 1 1 13 7  15  o 60.22189 23.14221 0.2765901      0.2706101     0.000000       0.000000      0.2765901      0.2706101     ?        ?        60.22189 23.14221 0.000000       23.14221 
1 1 1 13 7  16  o 56.51122 19.43044 0.2515324      0.1833530     0.2403763      0.2578300     0.2629466      0.2607961     57.67952 22.47115 59.12305 22.71899 -1.443527      31.95473 
1 1 1 13 7  17  o 75.26282 21.09715 0.4822587      0.2280731     0.4098763      0.3250585     0.5524440      0.3200871     68.77769 25.59723 77.58908 25.67048 -8.811386      36.25178 
1 1 1 13 7  18  o 60.39628 17.43511 0.2935553      0.1535012     0.3080410      0.1841237     0.2605419      0.2779612     61.37229 19.40406 59.43902 23.28320 1.933270       30.30883 
1 1 1 13 7  19  o 77.63076 21.39439 0.5157959      0.2366959     0.7211326      0.3381006     0.3184283      0.3314749     88.10468 26.00363 63.87744 25.29834 24.22724       36.27940 
1 1 1 13 7  20  o 92.07185 21.53441 0.7215520      0.2688964     0.8683468      0.3818832     0.5772012      0.3786907     95.38171 27.49007 77.88414 27.83325 17.49757       39.12025 
1 1 1 13 7  21  o 109.3690 20.76876 0.9956970      0.3021779     0.9839233      0.4202609     1.008299       0.4347981     100.2431 28.82300 100.7997 29.41446 -0.5565796     41.18222 
1 1 1 13 7  22  o 77.18037 21.69458 0.5126238      0.2408260     0.7310672      0.3438431     0.3022819      0.3374068     88.46075 26.25255 63.18150 25.35706 25.27925       36.49900 
1 1 1 13 7  23  o 79.60457 17.21931 0.5071427      0.1837707     0.5757529      0.2214920     0.3555707      0.3292098     83.37235 19.57443 65.75437 25.45447 17.61798       32.11056 
1 1 1 13 7  24  o 80.29164 17.23981 0.5158466      0.1854257     0.6220158      0.2245866     0.2884991      0.3286467     87.01905 19.20532 62.28882 25.01621 24.73023       31.53815 
1 1 1 13 7  25  f 60.35607 17.38896 0.2931216      0.1528260     0.4398941      0.1848211     -0.2419510E-01 0.2717538     73.40900 18.29797 45.70161 20.55667 27.70740       27.52077 
1 1 1 13 7  26  o 119.0581 15.76556 1.094877       0.2528080     1.312661       0.3080315     0.6454617      0.4424914     128.7102 17.80898 80.57136 29.88912 48.13882       34.79251 
1 1 1 13 7  27  o 70.80884 17.45844 0.4044701      0.1696191     0.5001628      0.2041248     0.1909874      0.3048863     77.89878 19.11914 56.81299 23.59982 21.08579       30.37257 
1 1 1 13 7  28  o 80.79538 17.38411 0.5228409      0.1881936     0.6964346      0.2276281     0.1479017      0.3345332     92.86115 18.40274 56.19507 24.09398 36.66607       30.31800 
1 1 1 13 7  29  o 78.78255 20.30099 0.5209056      0.2222214     0.7043819      0.2967967     0.2868202      0.3352403     89.18643 23.69700 62.45995 25.20206 26.72648       34.59323 
1 1 1 13 7  30  o 43.64229 18.87959 0.3681295E-01  0.2089750     0.000000       0.000000      0.3681295E-01  0.2089750     ?        ?        43.64229 18.87959 0.000000       18.87959 
1 1 1 13 7  31  o 47.01612 19.87592 0.8365612E-01  0.2221254     0.000000       0.000000      0.8365612E-01  0.2221254     ?        ?        47.01612 19.87592 0.000000       19.87592 
1 1 1 13 7  32  o 80.21341 27.04019 0.6089553      0.3549111     0.000000       0.000000      0.6089553      0.3549111     ?        ?        80.21341 27.04019 0.000000       27.04019 
1 1 1 13 7  33  o 118.6021 19.70852 1.149658       0.3114353     1.100090       0.4324403     1.203069       0.4488924     106.3203 28.76048 111.2634 28.94326 -4.943031      40.80291 
1 1 1 13 7  34  o 182.1393 18.32528 2.641827       0.4546279     3.002046       0.6394876     2.273720       0.6464508     182.7542 26.08101 149.8421 32.20264 32.91212       41.43946 
1 1 1 13 7  35  o 106.2589 12.42343 0.8416392      0.1788412     0.7255810      0.2831619     0.9186580      0.2306720     91.16842 22.60501 108.7089 15.83202 -17.54050      27.59781 
1 1 1 13 7  36  o 76.41646 13.27037 0.4446454      0.1349458     0.2802771      0.2130837     0.5547128      0.1743696     58.93843 20.89795 84.18349 15.57412 -25.24507      26.06295 
1 1 1 13 7  37  o 57.56102 13.16472 0.2554715      0.1023621     0.3209825      0.1407731     0.1819711      0.1491102     63.35411 16.06796 49.36106 17.48383 13.99305       23.74581 
1 1 1 13 7  38  o 56.36575 13.17161 0.2455561      0.1006713     0.1372487      0.1390055     0.3650253      0.1459927     44.87798 16.73173 67.63120 15.90081 -22.75322      23.08217 
1 1 1 13 7  39  o 46.88616 13.97644 0.1700293      0.9729577E-01 0.1486737      0.1238134     0.2045087      0.1573226     45.12180 15.93727 51.42161 17.98022 -6.299816      24.02675 
1 1 1 13 7  40  o 26.18002 11.09001 0.1000938E-01  0.6937778E-01 0.3468749E-01  0.8823359E-01 -0.2995931E-01 0.1122892     31.17298 12.79727 29.64587 13.28352 1.527107       18.44511 
1 1 1 13 7  41  o 64.12563 13.60585 0.3205635      0.1167440     0.2749112      0.1488020     0.3936530      0.1882803     57.82613 17.29503 67.91830 19.21446 -10.09217      25.85176 
1 1 1 13 7  42  o 63.51327 13.50925 0.3152578      0.1148335     0.3517939      0.1457857     0.2555318      0.1863952     65.68489 16.17966 55.65524 19.56496 10.02966       25.38836 
1 1 1 13 7  43  o 91.70776 12.36764 0.6398908      0.1526198     0.6577152      0.1945219     0.6113482      0.2461547     90.17185 16.21916 82.28123 21.44688 7.890617       26.88922 
1 1 1 13 7  44  o 128.1129 11.65165 1.233938       0.2038658     1.379072       0.2616536     1.009712       0.3252253     132.6004 14.52820 104.0450 23.22556 28.55543       27.39517 
1 1 1 13 7  45  o 70.70630 12.72705 0.3893760      0.1196884     0.3298638      0.1666874     0.4527171      0.1719658     61.55632 18.28098 73.05355 17.31238 -11.49723      25.17763 
1 1 1 13 7  46  o 88.05914 12.80014 0.6031511      0.1510848     0.5842714      0.1923667     0.6335469      0.2440833     82.91894 17.35797 82.36658 21.30180 0.5523529      27.47846 
1 1 1 13 7  47  o 45.50117 15.60709 0.1668221      0.1182603     0.8378010E-01  0.1616416     0.2624682      0.1734754     40.70273 17.06730 54.46610 18.88995 -13.76337      25.45826 
1 1 1 13 7  48  f 33.66298 14.80698 0.1122251E-01  0.1331819     0.1122251E-01  0.1331819     0.000000       0.000000      33.66298 14.80698 ?        ?        0.000000       14.80698 
1 1 1 13 7  49  o 46.92279 17.91930 0.1813733      0.1616181     0.1813733      0.1616181     0.000000       0.000000      46.92279 17.91930 ?        ?        0.000000       17.91930 
1 1 1 13 7  50  o 40.75252 14.81754 0.1308658      0.1078862     0.1807602E-01  0.1230438     0.5059166      0.2243726     32.63799 14.29706 70.22758 21.29028 -37.58959      25.64531 
1 1 1 13 7  51  o 49.50993 15.74098 0.2169361      0.1210382     0.9227387E-01  0.1381542     0.6286125      0.2510583     38.52663 15.93525 76.26144 22.37930 -37.73481      27.47299 
1 1 1 13 7  52  o 78.28052 13.69947 0.5134506      0.1426855     0.4485728      0.1826687     0.6149867      0.2285213     67.27070 18.88916 76.37679 21.01055 -9.106094      28.25321 
1 1 1 13 7  53  o 79.28891 13.89453 0.5366735      0.1465779     0.5927073      0.1885176     0.4510106      0.2330899     78.64275 17.77785 61.53371 21.85283 17.10904       28.17088 
1 1 1 13 7  54  o 58.45461 15.12502 0.3152653      0.1230151     0.2912924      0.1566433     0.3538402      0.1987029     52.82093 17.96334 55.21156 20.10397 -2.390625      26.96018 
1 1 1 13 7  55  o 46.88675 14.76881 0.2084734      0.1067410     0.2408865      0.1362759     0.1570206      0.1716975     48.36589 16.74434 41.26228 17.46082 7.103603       24.19200 
1 1 1 13 7  56  o 40.44738 15.24882 0.1599507      0.1160914     0.1555482      0.1622225     0.1645721      0.1662062     39.95376 16.94325 40.52317 17.16542 -0.5694046     24.11898 
1 1 1 13 7  57  o 32.63765 13.68932 0.8002650E-01  0.1040362     0.1584840      0.1452979     -0.2515296E-02 0.1490318     39.08282 16.26804 30.55768 14.27512 8.525139       21.64320 
1 1 1 13 7  58  o 49.10372 16.68348 0.2906730      0.1351161     0.2750810      0.1903826     0.3064967      0.1917912     43.28939 18.35625 45.03917 18.71412 -1.749783      26.21393 
1 1 1 13 7  59  o 57.92300 16.13667 0.3927089      0.1338614     0.2758273      0.1710589     0.5773622      0.2150062     42.36923 17.64497 57.06828 20.89227 -14.69904      27.34652 
1 1 1 13 7  60  o 41.40370 14.62758 0.2107210      0.1043062     0.1284325      0.1403048     0.3123924      0.1559561     33.06456 14.82955 43.87528 17.36029 -10.81073      22.83188 
1 1 1 13 7  61  o 25.13193 11.43326 0.3135521E-01  0.8695629E-01 0.8904207E-01  0.1135715     -0.5037364E-01 0.1351819     29.47630 13.27097 24.56045 12.00739 4.915842       17.89682 
1 1 1 13 7  62  o 14.71946 7.361752 -0.1210478     0.6249129E-01 -0.1354993     0.6726720E-01 -0.2998104E-01 0.1688599     14.98795 7.516522 25.29806 12.56286 -10.31011      14.63980 
1 1 1 13 7  63  o 21.79747 10.37676 0.6140577E-02  0.8580365E-01 0.8597406E-01  0.9493672E-01 -0.3499205     0.2004952     26.36394 11.97545 20.76296 10.64882 5.600981       16.02525 
1 1 1 13 7  64  o 21.95438 10.72871 0.1591504E-01  0.1075779     0.3085107E-02  0.1235703     0.5608162E-01  0.2186423     22.01529 10.90005 23.98567 12.19970 -1.970377      16.35982 
1 1 1 13 7  65  f 24.92653 11.88219 0.1484955      0.1132971     0.2459597      0.1544759     0.3503580E-01  0.1666707     25.88935 12.69445 21.53205 10.92084 4.357292       16.74556 
1 1 1 13 7  66  o 15.15489 7.621424 -0.7476022E-01 0.7161651E-01 -0.4279340E-02 0.9541397E-01 -0.1657036     0.1083832     18.24171 9.119317 15.77396 8.070977 2.467750       12.17796 
1 1 1 13 7  67  o 17.38066 8.679993 0.2699674E-01  0.8544711E-01 0.2158905      0.1156721     -0.1998811     0.1267698     21.66631 10.69367 15.08978 7.772636 6.576529       13.22000 
1 1 1 13 7  68  o 14.76360 7.512945 -0.3051021E-01 0.8370349E-01 -0.5978892E-01 0.1108891     0.8266767E-02  0.1276145     14.96022 7.686746 15.89069 8.166941 -0.9304733     11.21539 
1 1 1 13 7  69  o 15.51642 7.937982 0.8512125E-01  0.1044559     0.2988509E-01  0.1396862     0.1551907      0.1573281     14.80411 7.646974 15.56571 8.042777 -0.7615938     11.09786 
1 1 1 13 7  70  o 14.24209 7.323133 0.1042343      0.1052743     0.3887610E-01  0.1405409     0.1877893      0.1589055     13.52512 7.013562 14.18651 7.359075 -0.6613960     10.16593 
1 1 1 13 7  71  o 13.10384 6.770692 0.1051370      0.1114517     0.1367604      0.1518461     0.6820402E-01  0.1640993     12.95126 6.728173 12.65689 6.581652 0.2943726      9.412038 
1 1 1 13 7  72  o 11.46005 5.932853 0.3577589E-02  0.9024575E-01 0.1830383E-01  0.1227915     -0.1372039E-01 0.1330822     11.58601 6.019498 11.46766 5.962720 0.1183424      8.472802 
1 1 1 13 7  73  o 10.37189 5.389920 -0.2672534E-01 0.1010166     0.7004888E-01  0.1527311     -0.1019794     0.1346830     10.70624 5.574150 10.26266 5.342653 0.4435806      7.721081 
1 1 1 13 7  74  o 8.303722 4.310931 -0.1336630     0.5824053E-01 -0.3518704     0.7973061E-01 0.1159653      0.8527803E-01 ?        ?        10.22792 5.307665 0.000000       5.307665 
1 1 1 13 7  75  o 8.630326 4.493111 0.2212007E-01  0.9795807E-01 0.6194562E-01  0.1455372     -0.1086640E-01 0.1324527     8.668394 4.513995 8.565621 4.460919 0.1027727      6.346334 
1 1 1 13 7  76  o 7.797545 4.060825 0.8663703E-01  0.9342373E-01 0.8011908E-01  0.1381879     0.9212402E-01  0.1267891     7.695510 4.005376 7.723736 4.021264 -0.2822590E-01 5.675703 
1 1 1 13 7  77  o 6.881733 3.583133 0.7608885E-01  0.9743857E-01 0.2097483      0.1445561     -0.3520532E-01 0.1319086     6.920150 3.596972 6.750068 3.509555 0.1700816      5.025453 
1 1 1 13 7  78  o 6.014685 3.125253 0.1209763      0.1137099     -0.1320194E-01 0.1704648     0.2285459      0.1526295     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  79  o ?        ?        -0.3848888E-01 0.9531134E-01 -0.4738567E-01 0.2001858     -0.3588093E-01 0.1083843     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  80  o ?        ?        0.1502601      0.1507313     0.3909030E-01  0.2696657     0.2007757      0.1817797     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  81  o ?        ?        0.3311047E-01  0.1049992     0.5067164E-01  0.1462207     0.1441455E-01  0.1508709     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  82  f ?        ?        0.9777775E-01  0.1053419     0.3156242      0.1568340     -0.8129116E-01 0.1421919     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  83  o ?        ?        0.8798325E-02  0.7634083E-01 -0.1375818     0.1120596     0.1355685      0.1042838     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  84  o ?        ?        -0.5643250E-01 0.1016199     0.5302140E-01  0.2007076     -0.9416293E-01 0.1178404     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 7  85  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 8  0   o 71.76760 31.83980 0.5976659      0.3331769     0.000000       0.000000      0.5976659      0.3331769     71.76760 31.83980 71.76760 31.83980 0.000000       0.000000 
1 1 1 13 8  1   o 100.3189 20.20664 0.8321717      0.2702293     0.8217571      0.3810042     0.8427140      0.3833304     92.66035 27.66583 93.86036 27.68442 -1.200005      39.13854 
1 1 1 13 8  2   o 64.65843 19.62682 0.3454358      0.1905925     0.4426056      0.2762097     0.2571177      0.2633285     71.06052 23.85495 58.87862 22.77310 12.18189       32.97988 
1 1 1 13 8  3   o 66.47417 19.54634 0.3659692      0.1913491     0.4516321      0.2660292     0.2741432      0.2754328     71.85339 23.38485 60.22176 23.29117 11.63163       33.00500 
1 1 1 13 8  4   o 46.85158 19.24191 0.1070238      0.1995840     0.000000       0.000000      0.1070238      0.1995840     ?        ?        46.85158 19.24191 0.000000       19.24191 
1 1 1 13 8  5   o 59.13277 22.46792 0.2658093      0.2532761     0.000000       0.000000      0.2658093      0.2532761     ?        ?        59.13277 22.46792 0.000000       22.46792 
1 1 1 13 8  6   o 64.24780 23.59479 0.3404813      0.2745361     0.000000       0.000000      0.3404813      0.2745361     ?        ?        64.24780 23.59479 0.000000       23.59479 
1 1 1 13 8  7   o 84.77985 26.48979 0.6730452      0.3441754     0.000000       0.000000      0.6730452      0.3441754     ?        ?        84.77985 26.48979 0.000000       26.48979 
1 1 1 13 8  8   o 72.05917 19.74853 0.4326641      0.2023364     0.5793978      0.2849369     0.2834113      0.2873724     80.62665 23.89152 61.05709 23.74125 19.56956       33.68162 
1 1 1 13 8  9   o 53.45510 20.88985 0.1925362      0.2233497     0.000000       0.000000      0.1925362      0.2233497     ?        ?        53.45510 20.88985 0.000000       20.88985 
1 1 1 13 8  10  o 60.14908 22.47803 0.2827628      0.2511703     0.000000       0.000000      0.2827628      0.2511703     ?        ?        60.14908 22.47803 0.000000       22.47803 
1 1 1 13 8  11  o 67.38338 23.92787 0.3889326      0.2794511     0.000000       0.000000      0.3889326      0.2794511     ?        ?        67.38338 23.92787 0.000000       23.92787 
1 1 1 13 8  12  o 46.69141 17.65215 0.1442624      0.1558450     0.1961097      0.2264643     0.9762082E-01  0.2147945     53.79451 21.03154 47.29419 19.74064 6.500320       28.84473 
1 1 1 13 8  13  o 63.79404 19.77595 0.3363461      0.1922490     0.6187483      0.2732100     0.5937229E-01  0.2705715     84.03648 22.91377 49.02563 21.34524 35.01085       31.31549 
1 1 1 13 8  14  o 52.83900 20.83780 0.1829560      0.2240026     0.000000       0.000000      0.1829560      0.2240026     ?        ?        52.83900 20.83780 0.000000       20.83780 
1 1 1 13 8  15  o 86.14133 20.49599 0.6229528      0.2402554     1.161777       0.3405679     0.8913419E-01  0.3389823     117.3221 21.82584 54.03202 23.69800 63.29011       32.21743 
1 1 1 13 8  16  o ?        ?        -0.2101176     0.5186053E-01 0.000000       0.000000      -0.2101176     0.5186053E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  17  o 42.39290 18.06708 0.4918520E-01  0.1860717     0.000000       0.000000      0.4918520E-01  0.1860717     ?        ?        42.39290 18.06708 0.000000       18.06708 
1 1 1 13 8  18  o 37.39600 15.63597 0.4383856E-01  0.1350849     0.3781807E-01  0.1933936     0.4957451E-01  0.1887682     42.35614 18.24281 42.61929 18.18137 -0.2631493     25.75582 
1 1 1 13 8  19  o 34.36227 14.93711 0.3100111E-02  0.1320801     0.1025682      0.1958529     -0.7987303E-01 0.1788780     46.20404 19.02851 35.33937 16.19861 10.86467       24.98958 
1 1 1 13 8  20  o 25.33693 11.92125 -0.9977797E-01 0.1071393     0.6867798E-01  0.1596880     -0.2376869     0.1444858     41.31878 17.11458 25.60315 12.49479 15.71563       21.19029 
1 1 1 13 8  21  o 51.14130 21.06961 0.1437130      0.2402322     0.1437130      0.2402322     0.000000       0.000000      51.14130 21.06961 ?        ?        0.000000       21.06961 
1 1 1 13 8  22  o ?        ?        -0.3266068     0.6313989E-01 -0.3266068     0.6313989E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  23  o 56.64301 22.75730 0.2216803      0.2720856     0.2216803      0.2720856     0.000000       0.000000      56.64301 22.75730 ?        ?        0.000000       22.75730 
1 1 1 13 8  24  o 49.61773 20.54183 0.1296279      0.2298828     0.1296279      0.2298828     0.000000       0.000000      49.61773 20.54183 ?        ?        0.000000       20.54183 
1 1 1 13 8  25  f 32.68435 14.50066 -0.1951153E-01 0.1304071     -0.2239739     0.1951342     0.1455038      0.1753028     31.84819 15.29198 47.51923 18.52454 -15.67103      24.02089 
1 1 1 13 8  26  o 45.29018 18.08554 0.1190484      0.1706987     0.1229796      0.2532503     0.1157754      0.2310792     50.35650 21.25186 48.75292 20.42283 1.603580       29.47429 
1 1 1 13 8  27  o 55.13469 17.39824 0.2454648      0.1480802     0.2673866      0.1773699     0.1950372      0.2690153     57.15448 19.11643 54.62647 22.37616 2.528011       29.43009 
1 1 1 13 8  28  o 57.05199 20.21500 0.2657779      0.1993507     0.4925178      0.2939418     0.7266632E-01  0.2712699     72.54949 24.60750 48.77598 21.30084 23.77351       32.54620 
1 1 1 13 8  29  f 37.03487 15.08563 0.6180158E-01  0.1214178     0.1163290      0.1479883     -0.5049638E-01 0.2123763     43.40080 16.99216 39.30790 17.87674 4.092903       24.66397 
1 1 1 13 8  30  o 34.13483 14.07640 0.4410068E-01  0.1073515     -0.7074924E-01 0.1274941     0.3239011      0.1989981     29.39546 13.54820 61.41194 20.23692 -32.01648      24.35336 
1 1 1 13 8  31  o 51.54082 16.91058 0.2137482      0.1390115     0.2308556      0.1690896     0.1780750      0.2441721     53.37634 18.64182 51.98385 21.30861 1.392490       28.31209 
1 1 1 13 8  32  o 39.42616 15.23224 0.9682289E-01  0.1177073     0.2139081      0.1432600     -0.1464448     0.2064982     51.41094 17.18032 34.93101 16.47024 16.47993       23.79984 
1 1 1 13 8  33  o 61.02821 17.32577 0.3137830      0.1528083     0.5209516      0.1856095     -0.1220051     0.2692005     78.89017 17.49707 40.72308 19.07587 38.16710       25.88506 
1 1 1 13 8  34  o 62.61483 16.05534 0.3250401      0.1394735     0.2786628      0.1910480     0.3779642      0.2040877     56.71513 19.81491 64.65955 20.42742 -7.944427      28.45891 
1 1 1 13 8  35  o 36.88546 14.81078 0.7379215E-01  0.1151715     0.1976746      0.1383941     -0.2052691     0.2077123     49.24051 16.88380 32.85352 15.77534 16.38699       23.10680 
1 1 1 13 8  36  f 62.77532 17.95063 0.3443831      0.1634215     0.4108392      0.1987216     0.2055489      0.2872275     66.99913 19.97486 53.09945 22.53311 13.89968       30.11206 
1 1 1 13 8  37  o 58.19349 17.85973 0.2977553      0.1572449     0.3774720      0.1900125     0.1245317      0.2800987     64.10007 19.62595 48.89508 21.49093 15.20499       29.10391 
1 1 1 13 8  38  o 31.36896 13.49214 0.2006549E-01  0.1054957     -0.1620244E-01 0.1271017     0.1003833      0.1891455     31.51334 14.12554 43.17527 18.30154 -11.66193      23.11877 
1 1 1 13 8  39  o 68.52312 18.37737 0.4260871      0.1774646     0.5147643      0.2149383     0.2361639      0.3145550     73.31170 20.45610 53.41684 23.13544 19.89486       30.88204 
1 1 1 13 8  40  o 77.12009 18.81386 0.5483105      0.1985661     0.8061243      0.2423882     0.2225720E-01  0.3462368     93.45203 19.41801 46.48965 21.73144 46.96238       29.14300 
1 1 1 13 8  41  o 61.70580 16.14440 0.3355933      0.1391421     0.3375443      0.1924907     0.3334582      0.2013621     58.49971 19.91288 57.80841 20.33454 0.6912956      28.46078 
1 1 1 13 8  42  o 51.72779 16.02280 0.2386205      0.1262302     0.2653834      0.1749950     0.2095896      0.1822595     52.62055 18.90829 48.31741 18.87385 4.303143       26.71602 
1 1 1 13 8  43  o 63.54970 14.33463 0.3458858      0.1227920     0.4114436      0.1552227     0.2362530      0.2007304     67.00135 16.80671 49.54306 19.66600 17.45829       25.86923 
1 1 1 13 8  44  o 59.65488 14.64613 0.3129522      0.1197566     0.2627694      0.1505528     0.3994078      0.1976099     51.96354 17.61096 60.95608 20.17004 -8.992542      26.77641 
1 1 1 13 8  45  o 53.24695 14.76841 0.2563296      0.1123840     0.2186049      0.1402950     0.3238899      0.1877477     47.59113 16.94819 54.46827 19.58378 -6.877132      25.89914 
1 1 1 13 8  46  o 60.28992 14.85806 0.3327892      0.1228965     0.2778909      0.1513582     0.4390128      0.2105413     51.73060 17.65739 60.48036 20.81978 -8.749760      27.29920 
1 1 1 13 8  47  o 36.51481 14.10279 0.1113106      0.1008729     0.9828024E-01  0.1142567     0.1573600      0.2147907     35.78855 14.61233 41.83584 18.58300 -6.047291      23.63997 
1 1 1 13 8  48  o 81.33691 16.14903 0.6495855      0.1749754     0.5284392      0.2001246     1.042766       0.3605300     65.67421 20.14700 73.50751 27.03222 -7.833305      33.71413 
1 1 1 13 8  49  o 45.35662 14.80795 0.2083947      0.1066408     0.1507066      0.1346497     0.3054672      0.1746668     38.83669 15.86055 48.84929 18.63492 -10.01261      24.47074 
1 1 1 13 8  50  o 63.11605 19.39691 0.5214714      0.1854057     0.4809846      0.2249823     0.6071609      0.3273069     53.68934 20.97031 50.31663 22.60280 3.372711       30.83246 
1 1 1 13 8  51  o 44.56649 17.33481 0.2719753      0.1532451     0.1172885      0.1826798     0.6393625      0.2815309     34.99326 16.15938 52.59554 22.31330 -17.60228      27.55011 
1 1 1 13 8  52  o 43.84890 17.16463 0.2841036      0.1509878     0.2299451      0.1799407     0.4129657      0.2775610     38.52683 17.06592 41.34249 19.36723 -2.815666      25.81347 
1 1 1 13 8  53  o 27.46785 12.12608 0.5456629E-01  0.9009845E-01 0.8003663E-01  0.1005040     -0.4968335E-01 0.2033309     29.58599 12.94173 28.24149 13.98262 1.344507       19.05261 
1 1 1 13 8  54  o 24.68788 11.28166 0.2721525E-01  0.8587225E-01 0.3287691E-01  0.9567237E-01 0.3749478E-02  0.1947744     25.57127 11.76732 27.94721 13.80916 -2.375946      18.14284 
1 1 1 13 8  55  o 31.08109 13.33276 0.1344068      0.1025286     0.7048108E-01  0.1242350     0.2709295      0.1815552     27.21488 12.81466 33.88850 15.80586 -6.673616      20.34798 
1 1 1 13 8  56  o 28.53258 13.04261 0.1285197      0.1148833     0.1161988      0.1479286     0.1472438      0.1823610     27.38473 13.19099 27.87112 13.69166 -0.4863911     19.01220 
1 1 1 13 8  57  o 20.49100 9.891063 -0.3195199E-02 0.8420837E-01 -0.1384646     0.1131204     0.1649335      0.1261136     18.49951 9.337914 27.90194 13.06575 -9.402424      16.05960 
1 1 1 13 8  58  o 24.43372 11.57129 0.1120633      0.1039990     0.1910001      0.1432342     0.2404876E-01  0.1512461     25.72281 12.52834 21.77653 10.96736 3.946272       16.65060 
1 1 1 13 8  59  o 20.10653 9.733872 0.4168918E-01  0.8306188E-01 0.1707401E-01  0.1036968     0.8575708E-01  0.1387475     19.59454 9.749456 21.29914 10.69726 -1.704603      14.47353 
1 1 1 13 8  60  o 20.30741 9.911863 0.9239236E-01  0.9102058E-01 0.5868872E-01  0.1144321     0.1504441      0.1501817     19.04865 9.586676 20.22544 10.26935 -1.176788      14.04863 
1 1 1 13 8  61  o 16.84549 8.400369 0.2704052E-01  0.7878947E-01 0.1353931      0.9827999E-01 -0.1678579     0.1318104     19.62570 9.717636 15.15563 7.812111 4.470073       12.46842 
1 1 1 13 8  62  o 17.55834 8.846866 0.1305424      0.9901490E-01 0.1003785      0.1249470     0.1814610      0.1623381     16.49454 8.455915 16.79114 8.655861 -0.2966003     12.10068 
1 1 1 13 8  63  o 13.93437 7.116322 0.1959272E-02  0.8072827E-01 -0.2780269E-01 0.1015886     0.5295862E-01  0.1329831     13.78074 7.091455 14.61369 7.545476 -0.8329515     10.35485 
1 1 1 13 8  64  o 13.76049 7.062198 0.6222721E-01  0.8980021E-01 -0.1880431E-01 0.1122543     0.2062546      0.1496575     12.95747 6.698491 14.19843 7.359275 -1.240965      9.951317 
1 1 1 13 8  65  f 13.15946 6.766006 0.8485660E-01  0.8962794E-01 0.1061762      0.1134471     0.4945008E-01  0.1461993     13.05384 6.747842 12.58400 6.538692 0.4698391      9.396163 
1 1 1 13 8  66  o 12.47873 6.447387 0.1340065      0.1007674     0.1441054      0.1277312     0.1173628      0.1639777     12.19370 6.331493 11.89668 6.190880 0.2970238      8.855213 
1 1 1 13 8  67  o 10.14329 5.257323 -0.4810278E-01 0.7625239E-01 -0.1201859     0.1052225     0.3161825E-01  0.1106569     10.08506 5.244650 10.74902 5.586854 -0.6639605     7.662851 
1 1 1 13 8  68  o 9.299662 4.822088 -0.4824721E-01 0.6599326E-01 -0.1439826     0.9582364E-01 0.3812794E-01  0.9101875E-01 9.196840 4.785292 9.960643 5.175214 -0.7638025     7.048536 
1 1 1 13 8  69  o 8.013937 4.165921 -0.1172475     0.6277689E-01 -0.1931265     0.8554081E-01 -0.2867849E-01 0.9241726E-01 8.117732 4.226079 8.720277 4.538823 -0.6025448     6.201665 
1 1 1 13 8  70  o 7.850847 4.086102 -0.1621927E-01 0.7377014E-01 -0.5672224E-01 0.9710623E-01 0.3905691E-01  0.1134417     7.803976 4.064050 8.005569 4.169024 -0.2015924     5.822135 
1 1 1 13 8  71  o 7.281496 3.792045 0.7330199E-01  0.8932818E-01 0.4516029E-01  0.1199267     0.1083733      0.1338802     7.190755 3.742798 7.241381 3.767618 -0.5062628E-01 5.310695 
1 1 1 13 8  72  o 6.450642 3.355992 0.1102865      0.1078926     0.9824255E-01  0.1502152     0.1231211      0.1550668     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  73  o ?        ?        0.1323185      0.1142831     0.2084596      0.1590588     0.5106657E-01  0.1643105     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  74  o ?        ?        0.1718699      0.1422386     0.2774619      0.2445711     0.1178996      0.1748507     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  75  o ?        ?        -0.8366393E-01 0.8580824E-01 -0.9455916E-01 0.1542670     -0.7878283E-01 0.1032557     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  76  o ?        ?        0.5822525E-01  0.1028438     0.5470043E-01  0.1421559     0.6209606E-01  0.1489694     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  77  o ?        ?        0.5565918E-01  0.1012237     0.4599452E-01  0.1385593     0.6672055E-01  0.1482336     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  78  o ?        ?        0.1047984      0.1100066     0.2112923      0.1486757     -0.2403600E-01 0.1635286     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  79  o ?        ?        0.2217927      0.1474728     0.2689191      0.2546489     0.1980116      0.1808948     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 8  80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  7   o 54.11464 21.14642 0.2243654      0.2288598     0.2243654      0.2288598     0.000000       0.000000      54.11464 21.14642 ?        ?        0.000000       21.14642 
1 1 1 13 9  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  9   o 72.92428 26.04987 0.5373256      0.3316843     0.000000       0.000000      0.5373256      0.3316843     ?        ?        72.92428 26.04987 0.000000       26.04987 
1 1 1 13 9  10  o 47.49750 19.99645 0.1178258      0.2233331     0.000000       0.000000      0.1178258      0.2233331     ?        ?        47.49750 19.99645 0.000000       19.99645 
1 1 1 13 9  11  o 36.66306 16.13652 0.6022847E-02  0.1583864     0.000000       0.000000      0.6022847E-02  0.1583864     ?        ?        36.66306 16.13652 0.000000       16.13652 
1 1 1 13 9  12  o 38.65652 15.85880 0.7105890E-01  0.1353869     0.2314651      0.1927804     -0.8504584E-01 0.1901781     53.42651 19.74643 35.51635 16.43137 17.91016       25.68874 
1 1 1 13 9  13  o 28.06355 12.64667 -0.3189175E-01 0.1034179     -0.1367452E-01 0.1449703     -0.5076934E-01 0.1475744     34.17137 15.21765 32.56695 14.84610 1.604424       21.25991 
1 1 1 13 9  14  o 40.24767 17.46619 0.4034689E-01  0.1799916     0.000000       0.000000      0.4034689E-01  0.1799916     ?        ?        40.24767 17.46619 0.000000       17.46619 
1 1 1 13 9  15  o 34.33131 15.44351 -0.2548430E-01 0.1534132     0.000000       0.000000      -0.2548430E-01 0.1534132     ?        ?        34.33131 15.44351 0.000000       15.44351 
1 1 1 13 9  16  o 41.31128 17.84475 0.5488866E-01  0.1861388     0.000000       0.000000      0.5488866E-01  0.1861388     ?        ?        41.31128 17.84475 0.000000       17.84475 
1 1 1 13 9  17  o 47.32170 17.88215 0.1702508      0.1598857     0.1116426      0.2268052     0.2281485      0.2254261     46.62539 19.91072 53.15475 20.92249 -6.529366      28.88230 
1 1 1 13 9  18  o 16.53941 8.180116 -0.1472611     0.6890989E-01 0.000000       0.000000      -0.1472611     0.6890989E-01 ?        ?        16.53941 8.180116 0.000000       8.180116 
1 1 1 13 9  19  o 33.23600 14.46273 0.1368768E-01  0.1240831     0.8442560E-02  0.1865066     0.1785297E-01  0.1662031     38.71206 17.24864 37.50523 16.51784 1.206829       23.88210 
1 1 1 13 9  20  o 25.59425 11.89083 -0.6616183E-01 0.1011640     -0.3125453E-01 0.1563685     -0.9129007E-01 0.1326699     34.02388 15.42144 28.64172 13.40864 5.382158       20.43557 
1 1 1 13 9  21  o 24.26695 11.34208 -0.7097561E-01 0.9426858E-01 -0.1982022     0.1495102     0.1298010E-01  0.1214526     26.75842 12.97918 32.77267 14.28402 -6.014252      19.30006 
1 1 1 13 9  22  o 48.77176 18.32005 0.1948306      0.1672603     0.8008361E-01  0.2456182     0.2940560      0.2284026     45.25603 19.99796 56.35735 21.35463 -11.10132      29.25643 
1 1 1 13 9  23  o 28.07356 12.84952 -0.4513778E-01 0.1119977     0.6836422E-01  0.1732405     -0.1266381     0.1468005     40.34596 17.31967 28.73037 13.64703 11.61560       22.05022 
1 1 1 13 9  24  o 23.13683 10.33628 -0.1678531E-01 0.6745367E-01 0.1114038E-01  0.8347915E-01 -0.6931683E-01 0.1144949     27.86327 11.99321 27.10777 12.61263 0.7555008      17.40447 
1 1 1 13 9  25  o 31.39360 14.10302 -0.1557441E-01 0.1274410     0.1831960      0.2018187     -0.1473966     0.1643538     48.13871 19.50828 29.76335 14.22193 18.37536       24.14200 
1 1 1 13 9  26  o 30.44153 13.57346 -0.7411180E-02 0.1157216     0.2002535      0.1768470     -0.1629154     0.1530339     48.43726 18.68276 27.92217 13.44149 20.51509       23.01563 
1 1 1 13 9  27  o 24.12658 11.22931 -0.5866121E-01 0.9087870E-01 -0.4162255E-01 0.1586972     -0.6697518E-01 0.1108552     33.00122 15.17494 26.52349 12.36404 6.477726       19.57418 
1 1 1 13 9  28  o 27.20378 11.94176 0.1194060E-02  0.8624338E-01 -0.2530063     0.1518158     0.1223158      0.1047948     25.04603 12.34059 39.70236 14.57805 -14.65633      19.09999 
1 1 1 13 9  29  o 26.19551 11.97947 -0.3536492E-01 0.9705188E-01 -0.2626686E-01 0.1615593     -0.4050180E-01 0.1213969     33.64128 15.41077 28.96548 13.30184 4.675804       20.35757 
1 1 1 13 9  30  o 44.84381 16.58054 0.1745822      0.1359455     0.3807976      0.1723697     -0.1647813     0.2211225     62.47009 18.59855 33.47541 16.12550 28.99468       24.61581 
1 1 1 13 9  31  o 36.92538 14.54064 0.9762287E-01  0.1089230     0.4302119E-01  0.1357343     0.1963802      0.1825455     34.67701 15.10765 46.51334 18.65698 -11.83633      24.00675 
1 1 1 13 9  32  o 35.99096 15.38453 0.6753886E-01  0.1356491     0.1824133      0.2057200     -0.2082919E-01 0.1804316     45.49508 19.17462 34.64256 16.01925 10.85253       24.98565 
1 1 1 13 9  33  o 37.56398 15.68127 0.9578116E-01  0.1355636     0.1842497      0.1930572     0.9729316E-02  0.1904021     44.82515 18.71302 36.15521 16.62398 8.669937       25.03066 
1 1 1 13 9  34  o 43.84129 17.46430 0.1820032      0.1588172     0.1545352      0.2345220     0.2052697      0.2158421     43.32153 19.31927 45.47221 19.42104 -2.150681      27.39363 
1 1 1 13 9  35  f 16.18474 7.777132 -0.6322287E-01 0.5068643E-01 -0.2118814     0.1103056     -0.2343208E-01 0.5706819E-01 20.44250 10.15198 20.13053 9.198250 0.3119717      13.69929 
1 1 1 13 9  36  o 40.99714 16.79308 0.1580788      0.1515163     0.2917108E-01  0.2241782     0.2664857      0.2055805     37.04379 17.37003 47.36598 19.49981 -10.32219      26.11438 
1 1 1 13 9  37  o 30.98920 13.54726 0.4344299E-01  0.1099798     0.3903025E-01  0.1972794     0.4543282E-01  0.1324756     35.56776 16.55122 32.60161 14.53073 2.966148       22.02465 
1 1 1 13 9  38  o 32.05499 13.53543 0.6967784E-01  0.1028202     0.1039985E-01  0.1266560     0.1842512      0.1760844     29.91534 13.68225 41.07109 17.54138 -11.15576      22.24644 
1 1 1 13 9  39  o 19.35583 9.270879 -0.6744646E-01 0.7074677E-01 -0.1011358     0.9112672E-01 -0.1633396E-01 0.1122440     20.86076 10.12183 27.00946 12.54060 -6.148697      16.11577 
1 1 1 13 9  40  o 29.60730 13.53271 0.2764779E-01  0.1236459     0.1240571      0.1817359     -0.5543943E-01 0.1687130     36.11177 16.46710 29.08573 14.02976 7.026041       21.63330 
1 1 1 13 9  41  o 21.05585 10.13930 -0.7283540E-01 0.8724105E-01 -0.1886092E-02 0.1215601     -0.1481922     0.1252789     27.52537 12.86977 22.64542 11.16794 4.879950       17.03977 
1 1 1 13 9  42  o 32.36495 14.74517 0.9427018E-01  0.1452983     0.2252306      0.2042697     -0.3984822E-01 0.2067179     37.74946 17.30584 29.78143 14.61940 7.968031       22.65434 
1 1 1 13 9  43  o 34.02047 15.48907 0.1508751      0.1599902     0.9537554E-01  0.2249784     0.2076579      0.2275643     32.27666 15.71627 35.21528 16.80141 -2.938614      23.00627 
1 1 1 13 9  44  o 32.66903 15.97440 0.1732799      0.2395729     0.000000       0.000000      0.1732799      0.2395729     ?        ?        32.66903 15.97440 0.000000       15.97440 
1 1 1 13 9  45  o 27.76441 13.70283 0.2818142E-01  0.1898551     0.000000       0.000000      0.2818142E-01  0.1898551     ?        ?        27.76441 13.70283 0.000000       13.70283 
1 1 1 13 9  46  o 23.55414 11.67238 -0.5663609E-01 0.1428690     -0.5663609E-01 0.1428690     0.000000       0.000000      23.55414 11.67238 ?        ?        0.000000       11.67238 
1 1 1 13 9  47  o 24.63812 11.68948 0.4897102E-01  0.1070917     0.9515217E-01  0.1659407     0.1600834E-01  0.1401948     26.61121 13.07029 24.27079 11.93925 2.340425       17.70249 
1 1 1 13 9  48  o 24.72446 11.60755 0.7627148E-01  0.1006287     0.2705257E-01  0.1345307     0.1387873      0.1516178     23.32920 11.51779 26.40125 12.86557 -3.072048      17.26796 
1 1 1 13 9  49  o 27.90162 12.54837 0.1628078      0.1012183     0.1509161      0.1252703     0.1851726      0.1717941     25.81304 12.35652 25.31324 12.58735 0.4997997      17.63873 
1 1 1 13 9  50  f 27.26615 12.50285 0.1991528      0.1067064     0.1820929      0.1327653     0.2302805      0.1793368     24.58475 11.99327 23.96059 12.05128 0.6241627      17.00212 
1 1 1 13 9  51  o 25.05807 11.85902 0.2059456      0.1088751     0.1541577      0.1352326     0.3013570      0.1835555     21.89107 10.93060 22.87664 11.58731 -0.9855785     15.92934 
1 1 1 13 9  52  o 20.26881 9.925662 0.1084700      0.9351688E-01 0.1448405      0.1156437     0.3974239E-01  0.1589691     20.45809 10.19793 18.30813 9.396160 2.149960       13.86671 
1 1 1 13 9  53  o 17.39988 8.608617 0.4968990E-01  0.7655888E-01 0.6823996E-01  0.1019393     0.2569033E-01  0.1159500     17.64678 8.902167 16.87266 8.609455 0.7741203      12.38432 
1 1 1 13 9  54  f 19.13179 9.733539 0.3425450      0.1398829     0.3105510      0.1587028     0.4539519      0.2961460     17.92531 9.209319 16.63386 8.651872 1.291451       12.63592 
1 1 1 13 9  55  o 15.38066 7.882151 0.9597647E-01  0.1075004     -0.9655082E-03 0.1203774     0.4777577      0.2388891     14.31517 7.382686 15.79141 8.207675 -1.476244      11.03947 
1 1 1 13 9  56  o 14.91080 7.676857 0.1905079      0.1214403     0.8913391E-01  0.1367417     0.5689464      0.2642015     13.92887 7.213869 14.49809 7.547036 -0.5692158     10.44020 
1 1 1 13 9  57  o 13.63807 7.028565 0.1207942      0.1059238     0.1296702      0.1191217     0.8726452E-01  0.2315248     13.52015 6.986247 12.90920 6.721530 0.6109457      9.694669 
1 1 1 13 9  58  o 11.53013 5.940966 -0.1376319E-01 0.7502210E-01 0.6066605E-02  0.8201444E-01 -0.1154053     0.1856812     11.79382 6.082893 11.67158 6.077153 0.1222467      8.598453 
1 1 1 13 9  59  f 7.455632 3.848988 -0.1266431     0.3434087E-01 -0.1164411     0.3558501E-01 -0.2649368     0.1310159     7.752506 3.998890 10.33097 5.377211 -2.578462      6.701158 
1 1 1 13 9  60  o 10.87083 5.661201 0.2623995      0.1784776     0.2623995      0.1784776     0.000000       0.000000      10.87083 5.661201 ?        ?        0.000000       5.661201 
1 1 1 13 9  61  o 9.625504 5.010561 0.5731142E-02  0.1160636     0.5731142E-02  0.1160636     0.000000       0.000000      9.625504 5.010561 ?        ?        0.000000       5.010561 
1 1 1 13 9  62  o 9.307525 4.847321 0.3348008      0.1394761     0.3479587      0.1603913     0.2939883      0.2824783     9.187028 4.784180 ?        ?        0.000000       4.784180 
1 1 1 13 9  63  o 8.145768 4.240983 0.7715183E-01  0.8786262E-01 0.6585589E-01  0.1125902     0.9474470E-01  0.1405101     8.047688 4.191001 8.046392 4.188988 0.1296043E-02  5.925548 
1 1 1 13 9  64  o 7.358818 3.831971 0.5482894E-01  0.8043937E-01 0.4529378E-01  0.1055489     0.6804009E-01  0.1242396     7.293575 3.797986 7.304010 3.801685 -0.1043558E-01 5.373779 
1 1 1 13 9  65  o 6.535174 3.402924 0.2725688E-01  0.8200162E-01 0.1612444E-01  0.1084136     0.4214136E-01  0.1253589     6.509657 3.386806 6.528464 3.393816 -0.1880741E-01 4.794627 
1 1 1 13 9  66  o 5.934917 3.086118 0.1368627      0.1006388     0.4251043E-01  0.1270949     0.2954730      0.1647849     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  67  o 5.120845 2.662094 0.5856911E-03  0.7670079E-01 0.3988475E-01  0.9521580E-01 -0.7204834E-01 0.1294458     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  68  o ?        ?        -0.2300967E-01 0.7586087E-01 -0.1587679     0.9470557E-01 0.2200533      0.1267219     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  69  o ?        ?        0.8904107E-01  0.1068433     0.7432447E-01  0.1514580     0.1036191      0.1507430     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  70  o ?        ?        0.8288769E-01  0.1061350     0.6110779E-01  0.1502455     0.1045820      0.1499501     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  71  o ?        ?        -0.8393520E-02 0.7347211E-01 0.3741283E-01  0.9288352E-01 -0.8496660E-01 0.1200919     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  72  f ?        ?        0.1006613E-01  0.8397524E-01 -0.4543487E-02 0.1056948     0.3507483E-01  0.1382865     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  73  o ?        ?        0.6321553E-01  0.1028214     0.2945204E-01  0.1445544     0.9779181E-01  0.1462840     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 9  74  o ?        ?        0.8063350E-01  0.2333235     0.8063350E-01  0.2333235     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 0   o 52.53748 29.08966 0.4566976      0.3093989     0.000000       0.000000      0.4566976      0.3093989     52.53748 29.08966 52.53748 29.08966 0.000000       0.000000 
1 1 1 13 10 1   o ?        ?        -0.2505359     0.4922844E-01 0.000000       0.000000      -0.2505359     0.4922844E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 10 3   o 21.02965 10.27231 -0.1469623     0.9829661E-01 0.000000       0.000000      -0.1469623     0.9829661E-01 ?        ?        21.02965 10.27231 0.000000       10.27231 
1 1 1 13 10 4   o 37.34768 16.88353 0.3864411E-01  0.1860093     0.000000       0.000000      0.3864411E-01  0.1860093     ?        ?        37.34768 16.88353 0.000000       16.88353 
1 1 1 13 10 5   o 27.43960 12.98830 -0.8563658E-01 0.1307072     0.000000       0.000000      -0.8563658E-01 0.1307072     ?        ?        27.43960 12.98830 0.000000       12.98830 
1 1 1 13 10 6   o 34.28511 14.85543 0.5076451E-01  0.1297994     0.3751052E-01  0.1753831     0.6681625E-01  0.1930081     36.56061 16.47313 38.85306 17.41173 -2.292446      23.96940 
1 1 1 13 10 7   o 45.42081 19.44327 0.1900978      0.2172256     0.000000       0.000000      0.1900978      0.2172256     ?        ?        45.42081 19.44327 0.000000       19.44327 
1 1 1 13 10 8   o 44.18450 19.27953 0.1667446      0.2218140     0.000000       0.000000      0.1667446      0.2218140     ?        ?        44.18450 19.27953 0.000000       19.27953 
1 1 1 13 10 9   o 51.03101 21.65019 0.3141011      0.2650588     0.000000       0.000000      0.3141011      0.2650588     ?        ?        51.03101 21.65019 0.000000       21.65019 
1 1 1 13 10 10  o 41.19477 18.26798 0.1178140      0.2067391     0.000000       0.000000      0.1178140      0.2067391     ?        ?        41.19477 18.26798 0.000000       18.26798 
1 1 1 13 10 11  o 11.68847 5.938962 -0.1833276     0.5086336E-01 0.000000       0.000000      -0.1833276     0.5086336E-01 ?        ?        11.68847 5.938962 0.000000       5.938962 
1 1 1 13 10 12  o 31.48442 14.09315 0.1710164E-01  0.1260569     0.1508171      0.1837071     -0.1018811     0.1732914     41.90464 17.90771 30.40718 14.54976 11.49746       23.07340 
1 1 1 13 10 13  o 40.04030 17.98407 0.1046399      0.2071324     0.000000       0.000000      0.1046399      0.2071324     ?        ?        40.04030 17.98407 0.000000       17.98407 
1 1 1 13 10 14  f 19.03694 9.189499 -0.8991819E-01 0.7270097E-01 -0.1463430     0.1097978     -0.4586742E-01 0.9701423E-01 22.30982 10.88859 24.83461 11.57331 -2.524790      15.89034 
1 1 1 13 10 15  o 31.82669 14.76597 -0.1479058E-01 0.1551779     0.000000       0.000000      -0.1479058E-01 0.1551779     ?        ?        31.82669 14.76597 0.000000       14.76597 
1 1 1 13 10 16  o 25.86938 12.27937 -0.7490569E-01 0.1184421     0.000000       0.000000      -0.7490569E-01 0.1184421     ?        ?        25.86938 12.27937 0.000000       12.27937 
1 1 1 13 10 17  o ?        ?        -0.2811438     0.4982079E-01 0.000000       0.000000      -0.2811438     0.4982079E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 18  o 26.43258 12.55585 -0.6956238E-01 0.1242769     0.000000       0.000000      -0.6956238E-01 0.1242769     ?        ?        26.43258 12.55585 0.000000       12.55585 
1 1 1 13 10 19  o 38.21534 17.41290 0.1101408      0.2027168     0.000000       0.000000      0.1101408      0.2027168     ?        ?        38.21534 17.41290 0.000000       17.41290 
1 1 1 13 10 20  f 19.18772 9.293164 -0.9186462E-01 0.7591981E-01 -0.4266585E-01 0.1039477     -0.1481145     0.1111472     25.21460 11.82478 21.94862 10.76333 3.265984       15.98983 
1 1 1 13 10 21  o 29.96657 14.05402 -0.1631309E-01 0.1468682     0.000000       0.000000      -0.1631309E-01 0.1468682     ?        ?        29.96657 14.05402 0.000000       14.05402 
1 1 1 13 10 22  o 28.31871 13.36049 -0.3084080E-01 0.1362528     0.000000       0.000000      -0.3084080E-01 0.1362528     ?        ?        28.31871 13.36049 0.000000       13.36049 
1 1 1 13 10 23  o ?        ?        -0.2597249     0.4836102E-01 0.000000       0.000000      -0.2597249     0.4836102E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 24  o 37.37349 17.31615 0.1559840      0.2123616     0.000000       0.000000      0.1559840      0.2123616     ?        ?        37.37349 17.31615 0.000000       17.31615 
1 1 1 13 10 25  o 32.75491 15.41480 0.5833308E-01  0.1793128     0.000000       0.000000      0.5833308E-01  0.1793128     ?        ?        32.75491 15.41480 0.000000       15.41480 
1 1 1 13 10 26  o 30.25716 14.36163 0.1952381E-01  0.1619913     0.000000       0.000000      0.1952381E-01  0.1619913     ?        ?        30.25716 14.36163 0.000000       14.36163 
1 1 1 13 10 27  o 36.44806 16.01264 0.1748092      0.1553402     0.2059367      0.2181140     0.1427689      0.2212889     36.68833 17.18105 34.69437 16.55710 1.993961       23.86055 
1 1 1 13 10 28  o 35.31200 16.85204 0.1996045      0.2292568     0.000000       0.000000      0.1996045      0.2292568     ?        ?        35.31200 16.85204 0.000000       16.85204 
1 1 1 13 10 29  o 25.37033 12.27644 -0.3820939E-01 0.1317380     0.000000       0.000000      -0.3820939E-01 0.1317380     ?        ?        25.37033 12.27644 0.000000       12.27644 
1 1 1 13 10 30  o 36.68310 16.60901 0.2582485      0.1808231     0.4314341      0.2654490     0.1083088      0.2469924     38.19530 18.20187 31.28153 15.47406 6.913774       23.89047 
1 1 1 13 10 31  o 20.45366 10.08171 -0.9706384E-01 0.1016473     0.2498189      0.1639635     -0.3135986     0.1295447     35.92871 16.07845 18.36184 9.344266 17.56687       18.59656 
1 1 1 13 10 32  o 24.45941 11.35837 0.2792756E-01  0.9213616E-01 -0.4233521     0.1468600     0.3208402      0.1183177     18.03619 9.241051 46.31573 15.61259 -28.27954      18.14249 
1 1 1 13 10 33  o 21.10258 10.15492 -0.2554775E-01 0.8715869E-01 -0.2179062     0.1431084     0.8787560E-01  0.1098907     20.24730 10.25282 27.53674 12.64943 -7.289438      16.28276 
1 1 1 13 10 34  o 13.09345 6.654496 -0.1835826     0.6414278E-01 -0.1835826     0.6414278E-01 0.000000       0.000000      13.09345 6.654496 ?        ?        0.000000       6.654496 
1 1 1 13 10 35  o 26.12897 12.66952 0.1058841      0.1421335     0.1058841      0.1421335     0.000000       0.000000      26.12897 12.66952 ?        ?        0.000000       12.66952 
1 1 1 13 10 36  o 23.76702 11.92655 0.4792755E-01  0.1706492     0.4792755E-01  0.1706492     0.000000       0.000000      23.76702 11.92655 ?        ?        0.000000       11.92655 
1 1 1 13 10 37  o 16.17750 8.183413 -0.1404836     0.8969667E-01 -0.1404836     0.8969667E-01 0.000000       0.000000      16.17750 8.183413 ?        ?        0.000000       8.183413 
1 1 1 13 10 38  o 22.09675 11.02326 0.7934604E-01  0.1362243     0.1931444E-01  0.1975357     0.1337855      0.1881103     21.31405 10.90492 22.65914 11.50383 -1.345089      15.85104 
1 1 1 13 10 39  o 20.71149 10.26616 0.6246755E-01  0.1107629     0.1960523      0.1928978     -0.3242133E-02 0.1352893     22.08964 11.25650 19.51471 9.891362 2.574924       14.98492 
1 1 1 13 10 40  o 13.11422 6.688043 -0.1455397     0.6921262E-01 0.4875107E-01  0.1172873     -0.2493471     0.8573119E-01 19.21780 9.676067 12.95619 6.658848 6.261607       11.74592 
1 1 1 13 10 41  o 18.56219 9.468673 0.8420733E-01  0.1393946     0.2121269      0.2072908     -0.2138878E-01 0.1883369     19.13898 9.862093 17.62290 9.094292 1.516083       13.41518 
1 1 1 13 10 42  o 15.66621 8.001292 -0.4570099E-01 0.1022037     0.5511446E-01  0.1591581     -0.1164451     0.1333247     17.28657 8.894487 15.54712 8.006313 1.739450       11.96716 
1 1 1 13 10 43  f 12.68976 6.471597 -0.8732177E-01 0.6480990E-01 -0.8894230E-02 0.8214052E-01 -0.2166717     0.1054888     15.02215 7.624040 13.13321 6.778547 1.888946       10.20170 
1 1 1 13 10 44  f 16.59230 8.508923 0.1758514      0.1276678     0.1978110      0.1558796     0.1311080      0.2225063     16.25264 8.382775 15.44949 8.028235 0.8031521      11.60704 
1 1 1 13 10 45  o 8.803326 4.530590 -0.1447430     0.4163201E-01 -0.1620963     0.8115557E-01 -0.1385454     0.4849986E-01 11.61729 5.994116 9.677979 4.976042 1.939313       7.790406 
1 1 1 13 10 46  o 10.94855 5.639654 -0.1221471     0.6679919E-01 -0.7540360E-01 0.1058902     -0.1530445     0.8609060E-01 12.53959 6.485795 11.44788 5.916296 1.091712       8.778844 
1 1 1 13 10 47  f ?        ?        -0.3431251     0.3617599E-01 -0.3476422     0.5321454E-01 -0.3392439     0.4932745E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 48  o 11.75726 6.076979 -0.1595210E-01 0.9144874E-01 -0.1069849     0.1593993     0.2871108E-01  0.1116509     11.71239 6.095044 12.12322 6.285826 -0.4108353     8.755636 
1 1 1 13 10 49  o 10.72731 5.563884 -0.8938788E-01 0.8984441E-01 0.9165408E-01  0.1276711     -0.2670000     0.1264560     11.82893 6.145530 10.49185 5.459641 1.337081       8.220415 
1 1 1 13 10 50  o 9.826893 5.100513 -0.1148936     0.7999302E-01 -0.2859523E-01 0.1129475     -0.2017433     0.1133077     10.60576 5.514256 9.970690 5.188152 0.6350660      7.571258 
1 1 1 13 10 51  o 10.13072 5.272724 -0.1614827E-02 0.1229534     -0.2244037     0.1734155     0.2235892      0.1743529     9.835567 5.122128 10.51587 5.476519 -0.6803064     7.498563 
1 1 1 13 10 52  o 9.505634 4.950064 0.4915747E-01  0.1379955     0.9187378E-01  0.1952303     0.6506872E-02  0.1950801     9.515179 4.953836 9.432047 4.910242 0.8313179E-01  6.975025 
1 1 1 13 10 53  o 8.646748 4.499941 -0.1303071E-01 0.8813552E-01 0.7700687E-01  0.1039472     -0.2433128     0.1662382     8.919209 4.643416 8.483749 4.415709 0.4354601      6.407792 
1 1 1 13 10 54  o 8.215669 4.278523 0.1214463      0.1209150     0.1212474      0.1443220     0.1219148      0.2214740     8.162268 4.249367 ?        ?        0.000000       4.249367 
1 1 1 13 10 55  o 7.436342 3.871943 0.1309028E-01  0.7685176E-01 -0.3763154E-01 0.9400528E-01 0.1153057      0.1334483     7.331768 3.818232 7.535197 3.921694 -0.2034297     5.473444 
1 1 1 13 10 56  o 6.840318 3.562274 0.3894999E-01  0.8348425E-01 -0.2460917E-01 0.1028491     0.1617173      0.1429397     6.738192 3.507464 6.886873 3.579698 -0.1486812     5.011640 
1 1 1 13 10 57  o 6.258888 3.259342 0.4064500E-01  0.7394482E-01 0.8211933E-01  0.1000997     -0.9172553E-02 0.1097070     6.274282 3.264318 6.181694 3.214221 0.9258842E-01  4.581156 
1 1 1 13 10 58  f 5.640164 2.934761 0.6750272E-01  0.7960381E-01 0.6569347E-01  0.1075862     0.6969149E-01  0.1183333     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 59  o 4.981797 2.588832 -0.5423693E-02 0.7728724E-01 -0.7107297E-01 0.9436546E-01 0.1283443      0.1347021     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 60  o ?        ?        0.1280865E-01  0.7550190E-01 0.4618251E-01  0.9216940E-01 -0.5526713E-01 0.1316376     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 61  o ?        ?        0.6977063E-01  0.9042875E-01 0.1444457      0.1091214     -0.9393544E-01 0.1615677     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 62  o ?        ?        0.3195316E-01  0.1043045     0.6140008E-01  0.1225624     -0.4539067E-01 0.1986324     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 63  o ?        ?        0.5432415E-01  0.1001281     0.1598567      0.1163244     -0.2474754     0.1967147     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 64  o ?        ?        0.3922452E-01  0.1001769     0.1334738      0.1169065     -0.2212124     0.1943349     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 65  o ?        ?        -0.2091021E-03 0.9190327E-01 0.6176039E-01  0.1079934     -0.1629416     0.1750030     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 10 66  o ?        ?        -0.1499386     0.3450426E-01 -0.1397319     0.3617414E-01 -0.2528962     0.1148906     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 2   o 25.83344 12.78746 0.5202872E-01  0.1697012     0.000000       0.000000      0.5202872E-01  0.1697012     ?        ?        25.83344 12.78746 0.000000       12.78746 
1 1 1 13 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 5   o 26.26394 13.08273 0.8397403E-01  0.1889100     0.8397403E-01  0.1889100     0.000000       0.000000      26.26394 13.08273 ?        ?        0.000000       13.08273 
1 1 1 13 11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 9   o 11.08856 5.638365 -0.1439964     0.4646527E-01 0.000000       0.000000      -0.1439964     0.4646527E-01 ?        ?        11.08856 5.638365 0.000000       5.638365 
1 1 1 13 11 10  o 22.10235 11.04906 -0.3640455E-01 0.1400313     0.000000       0.000000      -0.3640455E-01 0.1400313     ?        ?        22.10235 11.04906 0.000000       11.04906 
1 1 1 13 11 11  o 20.35423 10.19967 -0.7713809E-01 0.1226845     0.000000       0.000000      -0.7713809E-01 0.1226845     ?        ?        20.35423 10.19967 0.000000       10.19967 
1 1 1 13 11 12  o 17.27724 8.658441 -0.1071495     0.8848935E-01 -0.1300861E-01 0.1390691     -0.1711952     0.1147062     22.12727 11.05392 17.89857 9.076018 4.228701       14.30256 
1 1 1 13 11 13  o ?        ?        -0.3462625     0.5182286E-01 0.000000       0.000000      -0.3462625     0.5182286E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 14  o 19.23994 9.701702 -0.9484915E-01 0.1203620     0.000000       0.000000      -0.9484915E-01 0.1203620     ?        ?        19.23994 9.701702 0.000000       9.701702 
1 1 1 13 11 15  f 18.06981 9.044016 -0.7385158E-01 0.9511214E-01 -0.2047014     0.1300237     0.7675076E-01  0.1394927     17.69453 9.036215 23.04600 11.44004 -5.351469      14.57833 
1 1 1 13 11 16  o 20.46501 10.38832 -0.4678442E-01 0.1529950     0.000000       0.000000      -0.4678442E-01 0.1529950     ?        ?        20.46501 10.38832 0.000000       10.38832 
1 1 1 13 11 17  o 21.72929 11.04902 0.5492471E-01  0.1784302     0.000000       0.000000      0.5492471E-01  0.1784302     ?        ?        21.72929 11.04902 0.000000       11.04902 
1 1 1 13 11 18  o 19.21962 9.772207 -0.5830618E-01 0.1393935     0.000000       0.000000      -0.5830618E-01 0.1393935     ?        ?        19.21962 9.772207 0.000000       9.772207 
1 1 1 13 11 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 22  o 18.82710 9.603857 0.5429348E-01  0.1434172     0.5429348E-01  0.1434172     0.000000       0.000000      18.82710 9.603857 ?        ?        0.000000       9.603857 
1 1 1 13 11 23  o 17.94016 9.243681 0.2385057E-01  0.1815420     0.2385057E-01  0.1815420     0.000000       0.000000      17.94016 9.243681 ?        ?        0.000000       9.243681 
1 1 1 13 11 24  o 17.46302 9.006613 0.2633318E-01  0.1795716     0.000000       0.000000      0.2633318E-01  0.1795716     ?        ?        17.46302 9.006613 0.000000       9.006613 
1 1 1 13 11 25  o 16.56575 8.533510 -0.1225233E-01 0.1532114     0.000000       0.000000      -0.1225233E-01 0.1532114     ?        ?        16.56575 8.533510 0.000000       8.533510 
1 1 1 13 11 26  o 16.69931 8.657748 0.1327837      0.2104766     0.000000       0.000000      0.1327837      0.2104766     ?        ?        16.69931 8.657748 0.000000       8.657748 
1 1 1 13 11 27  o 14.03990 7.221764 -0.9482107E-01 0.1038344     0.000000       0.000000      -0.9482107E-01 0.1038344     ?        ?        14.03990 7.221764 0.000000       7.221764 
1 1 1 13 11 28  o 14.62924 7.557339 -0.3847043E-01 0.1371864     0.000000       0.000000      -0.3847043E-01 0.1371864     ?        ?        14.62924 7.557339 0.000000       7.557339 
1 1 1 13 11 29  o 9.717248 5.000333 -0.1552352     0.5047721E-01 0.000000       0.000000      -0.1552352     0.5047721E-01 ?        ?        9.717248 5.000333 0.000000       5.000333 
1 1 1 13 11 30  o 14.54136 7.485925 0.9049162E-01  0.1150178     0.4756078E-01  0.1417040     0.1733907      0.1969121     14.08072 7.294015 14.43595 7.502398 -0.3552313     10.46368 
1 1 1 13 11 31  o 11.51259 5.933060 -0.1096115     0.7542423E-01 -0.4627141E-01 0.1117342     -0.1626347     0.1022303     12.86036 6.653686 11.87415 6.152372 0.9862051      9.062186 
1 1 1 13 11 32  o 12.61085 6.530856 -0.3060985E-01 0.1116820     0.1302087      0.1644704     -0.1682087     0.1521343     13.40162 6.962888 12.28358 6.386715 1.118046       9.448383 
1 1 1 13 11 33  o 12.82156 6.655333 0.7110089E-01  0.1369964     0.1615271E-01  0.2016092     0.1182376      0.1867297     12.58416 6.551083 12.84262 6.682242 -0.2584591     9.357834 
1 1 1 13 11 34  o 11.70371 6.075089 -0.4367920E-01 0.1141600     0.2046952      0.1744242     -0.2298032     0.1509922     12.55608 6.532590 11.30492 5.883355 1.251157       8.791394 
1 1 1 13 11 35  o 12.11401 6.300911 0.1529075      0.1569474     0.1765371      0.2327595     0.1332066      0.2125315     11.92986 6.213070 11.90057 6.197332 0.2928162E-01  8.775486 
1 1 1 13 11 36  o 11.06431 5.749484 -0.1072831E-01 0.1140109     0.4320392E-01  0.1768319     -0.4909704E-01 0.1491506     11.25046 5.858060 11.01941 5.735531 0.2310486      8.198364 
1 1 1 13 11 37  o 9.766243 5.067127 -0.1021497     0.7648967E-01 -0.7637286E-01 0.1344736     -0.1144785     0.9299991E-01 10.43610 5.431893 9.975580 5.183799 0.4605160      7.508478 
1 1 1 13 11 38  f 9.693738 5.035981 -0.7575936E-01 0.8526291E-01 -0.8935814E-01 0.1461746     -0.6874666E-01 0.1049699     10.00996 5.212492 9.892187 5.145345 0.1177683      7.324251 
1 1 1 13 11 39  o 9.808299 5.100218 0.3614913E-01  0.9807827E-01 0.3293288E-01  0.1209470     0.4232585E-01  0.1676099     9.768663 5.085210 9.759766 5.082882 0.8897781E-02  7.189928 
1 1 1 13 11 40  o ?        ?        -0.1714293     0.3710379E-01 -0.2333695     0.5838432E-01 -0.1294651     0.4805612E-01 ?        ?        7.600549 3.945159 0.000000       3.945159 
1 1 1 13 11 41  o 8.465829 4.408411 -0.4739366E-01 0.1063424     0.7520752E-01  0.1645951     -0.1352397     0.1393255     8.675964 4.516443 8.405032 4.376667 0.2709322      6.289155 
1 1 1 13 11 42  o 8.106440 4.221547 0.4035916E-01  0.1050963     -0.1109961     0.1877232     0.1094550      0.1268367     7.970791 4.143490 8.188543 4.264302 -0.2177520     5.945820 
1 1 1 13 11 43  f 7.556395 3.934186 0.1818072E-01  0.1190829     -0.6262348E-01 0.1793427     0.8189964E-01  0.1592579     7.506653 3.900366 7.601507 3.953341 -0.9485340E-01 5.553535 
1 1 1 13 11 44  o ?        ?        -0.2672946     0.4282931E-01 0.3405839E-01  0.8274145E-01 -0.3775917     0.5005730E-01 7.133579 3.715211 ?        ?        0.000000       3.715211 
1 1 1 13 11 45  o ?        ?        0.1406523      0.1556609     0.1934993      0.2303528     0.9623990E-01  0.2111713     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 46  o ?        ?        0.7290470E-01  0.1307737     -0.1506449     0.1963698     0.2510598      0.1753020     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 47  o ?        ?        0.9833816E-01  0.1465089     0.1675748      0.2167163     0.4006009E-01  0.1988273     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 48  o ?        ?        -0.3565632     0.4710795E-01 -0.3565632     0.4710795E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 49  o ?        ?        0.2330423      0.1389621     0.1686243      0.1694514     0.3653304      0.2428297     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 50  o ?        ?        0.5855590E-01  0.1330714     0.7535002E-01  0.1948512     0.4387647E-01  0.1821709     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 51  o ?        ?        0.1210117      0.1256053     0.1837377      0.2221311     0.9152887E-01  0.1522897     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 52  o ?        ?        -0.9291502E-02 0.1172366     0.5434894E-01  0.1733757     -0.6290568E-01 0.1591335     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 53  o ?        ?        0.2571042E-01  0.1236003     -0.9631594E-01 0.1807906     0.1327978      0.1693628     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 54  o ?        ?        0.3690813E-01  0.1380800     0.2501938      0.2021191     -0.1497494     0.1890816     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 55  o ?        ?        -0.4777886E-01 0.1105601     -0.1688861     0.1590625     0.6542155E-01  0.1537824     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 11 56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 3   o 11.58886 6.034974 0.1970605      0.2383735     0.000000       0.000000      0.1970605      0.2383735     ?        ?        11.58886 6.034974 0.000000       6.034974 
1 1 1 13 12 4   o 9.535148 4.929733 -0.1224408     0.6094864E-01 -0.1392785     0.7599413E-01 -0.9208320E-01 0.1020402     9.936806 5.152897 10.71840 5.567170 -0.7815981     7.585890 
1 1 1 13 12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 11  o 8.183849 4.238888 -0.1471221     0.4751521E-01 0.000000       0.000000      -0.1471221     0.4751521E-01 ?        ?        8.183849 4.238888 0.000000       4.238888 
1 1 1 13 12 12  o 10.32360 5.370415 -0.3299431E-01 0.1159219     0.1586440      0.1786096     -0.1724703     0.1523749     10.74005 5.593158 10.11720 5.268489 0.6228514      7.683774 
1 1 1 13 12 13  o 10.35310 5.391851 0.4032414E-01  0.1845709     0.000000       0.000000      0.4032414E-01  0.1845709     ?        ?        10.35310 5.391851 0.000000       5.391851 
1 1 1 13 12 14  o 10.16897 5.295888 0.4043479E-01  0.1826248     0.000000       0.000000      0.4043479E-01  0.1826248     ?        ?        10.16897 5.295888 0.000000       5.295888 
1 1 1 13 12 15  o ?        ?        -0.2932448     0.5356102E-01 0.000000       0.000000      -0.2932448     0.5356102E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 16  o 7.714713 4.007784 -0.1987039     0.5387223E-01 0.000000       0.000000      -0.1987039     0.5387223E-01 ?        ?        7.714713 4.007784 0.000000       4.007784 
1 1 1 13 12 17  o 9.596316 4.991794 0.2005279      0.2422147     0.000000       0.000000      0.2005279      0.2422147     ?        ?        9.596316 4.991794 0.000000       4.991794 
1 1 1 13 12 18  o ?        ?        -0.3051980     0.5472638E-01 0.000000       0.000000      -0.3051980     0.5472638E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 19  o ?        ?        0.2863322      0.2713030     0.000000       0.000000      0.2863322      0.2713030     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 20  o 8.785072 4.571526 0.6698551E-01  0.1863484     0.000000       0.000000      0.6698551E-01  0.1863484     ?        ?        8.785072 4.571526 0.000000       4.571526 
1 1 1 13 12 21  o ?        ?        -0.2019625     0.5196569E-01 0.000000       0.000000      -0.2019625     0.5196569E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 22  o 8.010914 4.171955 -0.9642492E-01 0.1163498     0.000000       0.000000      -0.9642492E-01 0.1163498     ?        ?        8.010914 4.171955 0.000000       4.171955 
1 1 1 13 12 23  o 7.532783 3.923040 -0.1314403     0.9134049E-01 0.000000       0.000000      -0.1314403     0.9134049E-01 ?        ?        7.532783 3.923040 0.000000       3.923040 
1 1 1 13 12 24  o 7.471128 3.890848 -0.5760769E-01 0.9502700E-01 -0.9152214E-01 0.1308370     -0.1974365E-01 0.1382457     7.500367 3.903940 7.582808 3.946253 -0.8244133E-01 5.551005 
1 1 1 13 12 25  o 7.295538 3.798597 -0.4435103E-01 0.1084266     0.6004252E-01  0.1598548     -0.1333025     0.1475589     7.412112 3.853653 7.263810 3.777669 0.1483021      5.396427 
1 1 1 13 12 26  o ?        ?        -0.2178989     0.5276930E-01 0.000000       0.000000      -0.2178989     0.5276930E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 27  o ?        ?        -0.2585555     0.5275590E-01 0.000000       0.000000      -0.2585555     0.5275590E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 28  o 6.373913 3.313483 -0.7459332E-01 0.1193073     0.000000       0.000000      -0.7459332E-01 0.1193073     ?        ?        6.373913 3.313483 0.000000       3.313483 
1 1 1 13 12 29  o 5.927608 3.085988 -0.1340753     0.7545391E-01 0.000000       0.000000      -0.1340753     0.7545391E-01 ?        ?        5.927608 3.085988 0.000000       3.085988 
1 1 1 13 12 30  o 5.704967 2.967421 -0.1203401     0.8738276E-01 0.000000       0.000000      -0.1203401     0.8738276E-01 ?        ?        5.704967 2.967421 0.000000       2.967421 
1 1 1 13 12 31  o ?        ?        -0.3815200E-01 0.1409581     0.000000       0.000000      -0.3815200E-01 0.1409581     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 32  o ?        ?        0.1748836      0.1641477     0.2787051      0.2367654     0.7879660E-01  0.2277754     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 33  o ?        ?        0.2161541      0.1728021     0.2303710      0.2469608     0.2025167      0.2418765     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 34  o ?        ?        0.7677297E-01  0.1152302     0.8632172E-01  0.1423412     0.5861633E-01  0.1962795     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 35  o ?        ?        0.8179690E-01  0.1458835     0.1481212      0.2136125     0.2382522E-01  0.1997093     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 36  o ?        ?        0.1028824      0.1492512     -0.4231427E-01 0.2180410     0.2308962      0.2047331     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 37  o ?        ?        -0.1832825     0.7393064E-01 0.5226840E-01  0.1227703     -0.3172978     0.9260366E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 38  f ?        ?        -0.3866213E-01 0.1073335     -0.3873457E-01 0.1696875     -0.3861381E-01 0.1385787     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 39  o ?        ?        0.2216084      0.2366484     0.000000       0.000000      0.2216084      0.2366484     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 40  o ?        ?        0.4537888E-01  0.1747423     0.000000       0.000000      0.4537888E-01  0.1747423     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 41  o ?        ?        -0.7182519E-01 0.1129959     0.000000       0.000000      -0.7182519E-01 0.1129959     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 42  o ?        ?        -0.3029959     0.4899409E-01 0.000000       0.000000      -0.3029959     0.4899409E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 43  o ?        ?        0.2389750E-01  0.1668493     0.000000       0.000000      0.2389750E-01  0.1668493     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 12 44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 4   o ?        ?        0.1105168      0.2107813     0.1105168      0.2107813     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 5   o ?        ?        -0.2413437     0.4831302E-01 0.000000       0.000000      -0.2413437     0.4831302E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 13  o ?        ?        0.6527232E-01  0.1792193     0.000000       0.000000      0.6527232E-01  0.1792193     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 14  o ?        ?        -0.2860575E-01 0.1517597     0.000000       0.000000      -0.2860575E-01 0.1517597     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 16  o ?        ?        -0.1304150     0.7992232E-01 -0.1304150     0.7992232E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 17  o ?        ?        0.6072290E-01  0.1954353     0.000000       0.000000      0.6072290E-01  0.1954353     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 22  o ?        ?        -0.9651338E-02 0.1489826     0.000000       0.000000      -0.9651338E-02 0.1489826     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 23  o ?        ?        0.6754290E-01  0.1888952     0.000000       0.000000      0.6754290E-01  0.1888952     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 24  o ?        ?        0.1260013      0.2193253     0.000000       0.000000      0.1260013      0.2193253     ?        ?        ?        ?        0.000000       ?        
1 1 1 13 13 25  o ?        ?        -0.1718408     0.6156360E-01 -0.2906555     0.7827296E-01 0.2088417E-01  0.9968861E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  5   o 78.82461 30.05588 0.6269957      0.3081240     0.6269957      0.3081240     0.000000       0.000000      78.82461 30.05588 78.82461 30.05588 0.000000       0.000000 
1 1 1 14 0  6   o 44.63249 23.94781 0.2153180      0.2030393     0.2153180      0.2030393     0.000000       0.000000      44.63249 23.94781 44.63249 23.94781 0.000000       0.000000 
1 1 1 14 0  7   o 49.09908 25.44430 0.2662912      0.2228902     0.2662912      0.2228902     0.000000       0.000000      49.09908 25.44430 49.09908 25.44430 0.000000       0.000000 
1 1 1 14 0  8   o 90.92210 31.37160 0.8041734      0.3547193     0.8041734      0.3547193     0.000000       0.000000      90.92210 31.37160 90.92210 31.37160 0.000000       0.000000 
1 1 1 14 0  9   o 81.83791 31.02005 0.6789173      0.3290389     0.6789173      0.3290389     0.000000       0.000000      81.83791 31.02005 81.83791 31.02005 0.000000       0.000000 
1 1 1 14 0  10  o 207.3096 25.60726 3.345828       0.7029904     3.345828       0.7029904     0.000000       0.000000      207.3096 25.60726 207.3096 25.60726 0.000000       0.000000 
1 1 1 14 0  11  o 62.78071 28.89408 0.4343977      0.2748592     0.4343977      0.2748592     0.000000       0.000000      62.78071 28.89408 62.78071 28.89408 0.000000       0.000000 
1 1 1 14 0  12  o 88.64606 31.89357 0.7835720      0.3573918     0.7835720      0.3573918     0.000000       0.000000      88.64606 31.89357 88.64606 31.89357 0.000000       0.000000 
1 1 1 14 0  13  o 68.64800 30.30944 0.5151841      0.3019698     0.5151841      0.3019698     0.000000       0.000000      68.64800 30.30944 68.64800 30.30944 0.000000       0.000000 
1 1 1 14 0  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  16  o 187.9399 26.88144 2.818053       0.6562458     2.818053       0.6562458     0.000000       0.000000      187.9399 26.88144 187.9399 26.88144 0.000000       0.000000 
1 1 1 14 0  17  o 133.4088 30.77513 1.542623       0.4934253     1.542623       0.4934253     0.000000       0.000000      133.4088 30.77513 133.4088 30.77513 0.000000       0.000000 
1 1 1 14 0  18  o 208.9073 26.40549 3.453306       0.7285954     3.453306       0.7285954     0.000000       0.000000      208.9073 26.40549 208.9073 26.40549 0.000000       0.000000 
1 1 1 14 0  19  o 127.1487 31.67829 1.436230       0.4812388     1.436230       0.4812388     0.000000       0.000000      127.1487 31.67829 127.1487 31.67829 0.000000       0.000000 
1 1 1 14 0  20  o 91.19743 33.10891 0.8494141      0.3831899     0.8494141      0.3831899     0.000000       0.000000      91.19743 33.10891 91.19743 33.10891 0.000000       0.000000 
1 1 1 14 0  21  o 27.02589 16.01094 0.6145073E-01  0.1034076     0.1569365      0.1936263     0.2334937E-01  0.1223110     39.28009 22.51244 25.42967 16.11733 0.000000       0.000000 
1 1 1 14 0  22  o 40.46920 19.89773 0.1769968      0.1325554     0.1753011      0.2233276     0.1779191      0.1647061     41.46940 23.99670 40.45176 21.61239 0.000000       0.000000 
1 1 1 14 0  23  o 89.03759 22.34437 0.6755943      0.2376185     1.169947       0.3606144     0.2962477      0.3158950     118.4483 25.06495 51.07517 28.96159 0.000000       0.000000 
1 1 1 14 0  24  o 166.6017 13.80395 2.017608       0.3125406     1.236415       0.5583899     2.373993       0.3771531     104.9707 40.57318 179.9031 15.44428 0.000000       0.000000 
1 1 1 14 0  25  o 137.3849 14.06836 1.387574       0.2604700     1.368295       0.4750936     1.395859       0.3114498     121.8533 32.67469 135.7161 17.40391 0.000000       0.000000 
1 1 1 14 0  26  o 53.72195 18.25414 0.2675572      0.1213519     0.1081480      0.2480161     0.3177328      0.1391457     38.15609 23.64586 58.81565 19.31444 0.000000       0.000000 
1 1 1 14 0  27  o 35.10519 15.58479 0.1268882      0.7982266E-01 0.1209356      0.1235514     0.1311529      0.1045786     33.89978 18.52223 34.94823 17.58342 0.000000       0.000000 
1 1 1 14 0  28  o 49.02747 16.88780 0.2231085      0.1028991     0.2804341      0.1553670     0.1783156      0.1373377     52.15309 21.65839 40.38004 20.18531 0.000000       0.000000 
1 1 1 14 0  29  o 126.1943 12.34033 1.161260       0.2103125     0.8221043      0.3027110     1.477725       0.2924099     95.50117 26.53670 140.8383 15.51652 0.000000       0.000000 
1 1 1 14 0  30  o 143.2469 12.18461 1.486634       0.2369981     1.531945       0.3422063     1.444869       0.3285430     141.4470 18.37748 137.3215 18.22269 0.000000       0.000000 
1 1 1 14 0  31  o 203.5656 11.94214 2.969381       0.3330349     2.379418       0.4738255     3.545393       0.4681899     175.9086 20.19747 219.9220 15.59780 0.000000       0.000000 
1 1 1 14 0  32  o 78.95909 30.55848 0.6600865      0.3165894     0.000000       0.000000      0.6600865      0.3165894     78.95909 30.55848 78.95909 30.55848 0.000000       0.000000 
1 1 1 14 0  33  o 118.7739 30.72876 1.288156       0.4355446     0.000000       0.000000      1.288156       0.4355446     118.7739 30.72876 118.7739 30.72876 0.000000       0.000000 
1 1 1 14 0  34  o 39.78155 18.86709 0.1704530      0.1178135     0.2017010      0.1484826     0.1173466      0.1935701     42.73021 21.05074 36.05330 21.63835 0.000000       0.000000 
1 1 1 14 0  35  o 49.76396 20.91829 0.2571836      0.1446348     0.3884422      0.1804064     0.2102899E-01  0.2419838     63.15374 22.63326 33.41125 21.74216 0.000000       0.000000 
1 1 1 14 0  36  o 82.44437 15.10086 0.5320269      0.1548704     0.5960411      0.2248603     0.4742568      0.2136121     81.69793 23.02206 69.69064 24.47855 0.000000       0.000000 
1 1 1 14 0  37  o 117.9943 13.04533 1.028371       0.2059105     1.070219       0.2972880     0.9897826      0.2854740     115.3925 20.61832 110.4679 20.89413 0.000000       0.000000 
1 1 1 14 0  38  o 88.96709 14.51220 0.6089591      0.1640367     0.6862815      0.2385141     0.5395620      0.2259604     89.17052 22.39581 75.49619 24.50659 0.000000       0.000000 
1 1 1 14 0  39  o 143.7206 12.51525 1.504345       0.2440360     1.527814       0.3512014     1.482434       0.3393421     140.2684 19.14208 138.4057 18.72069 0.000000       0.000000 
1 1 1 14 0  40  o 93.36628 14.19277 0.6647153      0.1704433     0.7432317      0.2482288     0.5946751      0.2344476     93.45097 22.15906 80.36330 24.22975 0.000000       0.000000 
1 1 1 14 0  41  o 66.56217 17.66595 0.3788777      0.1402873     0.5903853      0.2049851     0.1925353      0.1924044     83.23188 20.60594 41.57917 22.96939 0.000000       0.000000 
1 1 1 14 0  42  o 35.16253 17.86201 0.1342426      0.1085229     0.1953987      0.1596973     0.8176945E-01  0.1479268     41.75340 21.56509 31.23277 18.83022 0.000000       0.000000 
1 1 1 14 0  43  o 83.17184 16.40576 0.5515178      0.1675550     0.8775761      0.2439059     0.2601329      0.2305729     105.2016 18.49980 47.29266 25.47364 0.000000       0.000000 
1 1 1 14 0  44  o 101.7822 14.45650 0.7855841      0.1913347     0.7974986      0.2752648     0.7744461      0.2661420     95.56474 24.12128 94.44917 23.58760 0.000000       0.000000 
1 1 1 14 0  45  o 86.00154 16.14680 0.5842874      0.1719763     1.034245       0.2500925     0.1806562      0.2368683     116.1065 16.57811 41.62422 24.43225 0.000000       0.000000 
1 1 1 14 0  46  o 102.7744 14.44617 0.8001275      0.1933770     0.8218303      0.2787367     0.7799892      0.2685030     97.36813 23.94214 94.70888 23.73552 0.000000       0.000000 
1 1 1 14 0  47  o 50.71727 19.59536 0.2554780      0.1302676     0.2964999      0.1889143     0.2182896      0.1798706     51.65151 23.94538 43.87548 22.82417 0.000000       0.000000 
1 1 1 14 0  48  o 80.33163 17.24509 0.5245094      0.1679313     0.4265533      0.2427663     0.6143904      0.2325449     61.95287 27.17314 82.57848 23.53445 0.000000       0.000000 
1 1 1 14 0  49  o 75.13787 18.12612 0.4726948      0.1630502     0.4699259      0.2350124     0.4752645      0.2264040     66.92988 26.43681 68.30044 25.67840 0.000000       0.000000 
1 1 1 14 0  50  o 77.07930 21.47853 0.5265669      0.1977707     1.006993       0.3788098     0.3465482      0.2318819     102.0111 30.83055 54.61946 26.40512 0.000000       0.000000 
1 1 1 14 0  51  o 94.74006 24.97269 0.8018782      0.2822520     1.183172       0.4183744     0.4833718      0.3823791     111.3286 31.42975 60.76606 32.78109 0.000000       0.000000 
1 1 1 14 0  52  o 116.7380 22.19477 1.125869       0.3201669     0.2396729      0.4442880     2.083251       0.4617878     49.04595 30.93099 161.5418 21.82376 0.000000       0.000000 
1 1 1 14 0  53  o 37.06377 20.78905 0.1499633      0.1604135     0.2966950      0.2229121     -0.7640727E-02 0.2310232     49.91176 25.54481 31.20634 20.62695 0.000000       0.000000 
1 1 1 14 0  54  o 141.2146 16.07218 1.517062       0.3029091     1.811368       0.3767272     0.9788113      0.5094714     152.4822 18.63689 85.23255 39.33261 0.000000       0.000000 
1 1 1 14 0  55  o 56.79192 20.29372 0.3155650      0.1452942     0.4821306      0.2076179     0.1556971      0.2034009     69.93935 23.93576 38.26685 22.55597 0.000000       0.000000 
1 1 1 14 0  56  o 83.29465 17.20204 0.5690659      0.1746635     0.5957475      0.2490267     0.5432309      0.2450443     76.88079 26.16318 71.87537 26.61043 0.000000       0.000000 
1 1 1 14 0  57  o 59.70220 19.99234 0.3421538      0.1470488     0.2474546      0.2093678     0.4343455      0.2065772     44.81337 24.23075 63.83926 24.67885 0.000000       0.000000 
1 1 1 14 0  58  o 24.44888 15.19691 0.3956140E-01  0.1032242     -0.2110404E-01 0.1503226     0.9369155E-01  0.1419951     24.53108 16.35168 31.06822 18.58987 0.000000       0.000000 
1 1 1 14 0  59  o 32.89516 17.95296 0.1228241      0.1159267     0.2423625      0.1677071     0.1344080E-01  0.1604255     44.81174 22.32165 26.85918 17.55736 0.000000       0.000000 
1 1 1 14 0  60  o 80.29815 19.44345 0.5680233      0.1868633     0.8054316      0.2694394     0.3480162      0.2593770     92.17979 24.49979 50.30149 27.04229 0.000000       0.000000 
1 1 1 14 0  61  o 41.94848 20.10466 0.2077872      0.1341336     0.3419845      0.1900190     0.7450511E-01  0.1893698     53.17258 24.04661 31.29054 19.92238 0.000000       0.000000 
1 1 1 14 0  62  o 124.0565 15.23698 1.222397       0.2504569     1.350157       0.3588009     1.100988       0.3497709     120.6505 24.30057 103.0293 28.42883 0.000000       0.000000 
1 1 1 14 0  63  o 46.28673 21.12641 0.2580277      0.1468131     0.2560460      0.2061529     0.2600669      0.2091292     42.69429 23.70704 42.92761 23.86283 0.000000       0.000000 
1 1 1 14 0  64  o 133.3271 14.57809 1.422677       0.2602271     1.740547       0.3713007     1.115809       0.3648183     139.6418 20.56455 96.72573 30.97663 0.000000       0.000000 
1 1 1 14 0  65  o 56.07674 21.74114 0.3620403      0.1601349     0.4538043      0.2262158     0.2698711      0.2267148     56.66576 26.20629 41.20998 24.03335 0.000000       0.000000 
1 1 1 14 0  66  o 73.14761 20.93241 0.5481976      0.1832734     0.5503832      0.2600189     0.5460399      0.2583644     58.91587 28.01925 58.76563 27.93198 0.000000       0.000000 
1 1 1 14 0  67  o 28.16269 17.04561 0.1010938      0.1221614     0.4196126      0.1731351     -0.2146962     0.1723919     58.05675 22.63119 18.55754 13.37804 0.000000       0.000000 
1 1 1 14 0  68  f 36.90326 19.84270 0.2109136      0.1396738     0.1980240      0.1993887     0.2233332      0.1957196     33.38986 20.91662 34.99936 21.37044 0.000000       0.000000 
1 1 1 14 0  69  o 36.49297 21.10241 0.2518542      0.1725192     0.8215725      0.3251316     0.2858898E-01  0.2035352     57.38517 30.45677 25.06827 17.32933 0.000000       0.000000 
1 1 1 14 0  70  o 34.07895 21.62696 0.2939181      0.2210069     0.2351513      0.3260465     0.3438712      0.3006036     29.75794 20.87371 32.91382 22.29114 0.000000       0.000000 
1 1 1 14 0  71  o 32.30210 20.67448 0.2934417      0.2072567     0.4070872      0.2855661     0.1669491      0.3012750     32.53324 21.94303 26.44087 18.83215 0.000000       0.000000 
1 1 1 14 0  72  o ?        ?        -0.3146953     0.4461466E-01 -0.3057546     0.6447580E-01 -0.3229090     0.6179863E-01 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  73  o 15.83730 11.37575 -0.6179858E-01 0.1196092     0.4660388E-01  0.1539010     -0.2271491     0.1900748     19.83338 13.99904 16.02351 11.81085 0.000000       0.000000 
1 1 1 14 0  74  o 16.37307 11.72307 -0.9659790E-02 0.1228422     0.8973537E-01  0.1782904     -0.9948847E-01 0.1694935     19.33806 13.89005 15.98970 11.72615 0.000000       0.000000 
1 1 1 14 0  75  o 20.69763 14.37552 0.1964119      0.1443338     0.4407980      0.2098268     -0.2307950E-01 0.1988527     23.36570 16.46271 16.06599 11.86178 0.000000       0.000000 
1 1 1 14 0  76  o 15.81626 11.44823 0.7682958E-01  0.1326262     0.1441126      0.1936562     0.1739672E-01  0.1820087     16.32637 12.02469 14.98002 11.08157 0.000000       0.000000 
1 1 1 14 0  77  o 14.90641 10.88019 0.1232896      0.1347682     0.2638704      0.1962408     -0.2191762E-02 0.1854026     15.47922 11.45497 13.33857 9.942853 0.000000       0.000000 
1 1 1 14 0  78  o 14.58538 10.73373 0.2495395      0.1518414     0.4295464      0.2206518     0.8762085E-01  0.2092721     14.33340 10.69182 12.62400 9.416074 0.000000       0.000000 
1 1 1 14 0  79  o 11.22288 8.338294 0.1994500E-01  0.1164113     -0.1471722E-01 0.1717849     0.4937943E-01  0.1583014     11.15748 8.328577 11.46757 8.572787 0.000000       0.000000 
1 1 1 14 0  80  o 10.63819 7.933046 0.5243027E-01  0.1198869     0.1189784      0.1775972     -0.3283382E-02 0.1624983     10.83558 8.096983 10.32808 7.718147 0.000000       0.000000 
1 1 1 14 0  81  o 9.183779 6.855422 -0.1438269E-01 0.1052758     -0.2924735E-01 0.1568700     -0.2202125E-02 0.1420026     9.300442 6.958728 9.373508 7.009315 0.000000       0.000000 
1 1 1 14 0  82  o 9.159354 6.849783 0.2169732      0.1422099     0.1326626      0.2091205     0.2895054      0.1939639     8.635396 6.471532 8.965157 6.716876 0.000000       0.000000 
1 1 1 14 0  83  o 7.059418 5.284730 -0.8491754E-01 0.9816157E-01 0.2777107E-01  0.1484788     -0.1724123     0.1308324     7.510660 5.628307 7.039090 5.274874 0.000000       0.000000 
1 1 1 14 0  84  o 6.466055 4.845518 -0.4817261E-01 0.1099569     -0.5765495E-03 0.1641152     -0.8694175E-01 0.1481175     6.605679 4.950581 6.483544 4.859205 0.000000       0.000000 
1 1 1 14 0  85  o 5.844681 4.380217 0.1121755      0.1316344     0.6176043E-01  0.1925167     0.1564404      0.1803925     5.757766 4.312253 5.820400 4.360085 0.000000       0.000000 
1 1 1 14 0  86  o 4.853686 3.637037 -0.5875623E-01 0.1031836     0.6770234E-01  0.1525008     -0.1655307     0.1401302     4.969796 3.721895 4.826602 3.614513 0.000000       0.000000 
1 1 1 14 0  87  o 4.193730 3.139804 -0.1253918E-01 0.1158364     0.6348271E-01  0.1687908     -0.8021769E-01 0.1592593     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  88  o ?        ?        -0.7444020E-01 0.1325553     0.6113151      0.2718067     -0.2884301     0.1518351     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  89  o ?        ?        -0.5175433E-01 0.1606766     -0.3279128     0.2470057     0.1508200      0.2115534     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  90  o ?        ?        -0.4650471E-01 0.1326540     0.4348311E-01  0.1715682     -0.1802643     0.2091739     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  91  o ?        ?        0.7795645E-01  0.1633714     0.1448966      0.2258761     0.4521874E-02  0.2365796     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 14 0  92  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 1  0   o 251.3631 25.23655 4.846533       0.8556813     4.846533       0.8556813     0.000000       0.000000      251.3631 25.23655 251.3631 25.23655 0.000000       0.000000 
1 1 1 14 1  1   o 162.1754 17.50305 1.980914       0.3857416     1.944107       0.5439836     2.018141       0.5470715     152.7307 26.77004 156.0996 26.31672 -3.368896      37.53938 
1 1 1 14 1  2   o 211.7002 17.31413 3.358732       0.5016983     3.445415       0.7087036     3.271652       0.7103162     205.4383 25.53380 199.0137 26.50744 6.424637       36.80515 
1 1 1 14 1  3   o 211.6437 17.32594 3.358019       0.5018998     3.746987       0.7110843     2.971862       0.7085096     215.7916 24.28639 187.5979 28.22581 28.19376       37.23607 
1 1 1 14 1  4   o 160.4603 17.49240 1.940621       0.3812954     2.179654       0.5366916     1.697006       0.5418110     164.0359 24.44079 140.3621 28.91731 23.67380       37.86243 
1 1 1 14 1  5   o 99.53249 26.43807 0.8419442      0.3695008     0.000000       0.000000      0.8419442      0.3695008     ?        ?        99.53249 26.43807 0.000000       26.43807 
1 1 1 14 1  6   o 64.94914 17.92099 0.3272004      0.1659628     0.2588471      0.2191877     0.4190413      0.2540705     59.74127 21.19381 72.30730 22.78648 -12.56603      31.11915 
1 1 1 14 1  7   o 94.40514 18.39697 0.6898507      0.2311974     0.5706577      0.3121277     0.8347430      0.3441355     82.70093 25.11968 99.94569 24.99953 -17.24476      35.43973 
1 1 1 14 1  8   o 133.7300 17.75647 1.359247       0.3197795     1.212012       0.4392162     1.525335       0.4664880     119.0621 27.29824 135.3047 25.91193 -16.24258      37.63804 
1 1 1 14 1  9   o 200.5468 17.26735 3.024900       0.4735044     3.058400       0.6593832     2.989233       0.6803832     193.0410 25.35011 189.1499 26.79984 3.891052       36.88983 
1 1 1 14 1  10  o 113.2718 25.96387 1.083507       0.3974140     1.083507       0.3974140     0.000000       0.000000      113.2718 25.96387 ?        ?        0.000000       25.96387 
1 1 1 14 1  11  o 178.5794 25.95252 2.648800       0.6212219     2.648800       0.6212219     0.000000       0.000000      178.5794 25.95252 ?        ?        0.000000       25.95252 
1 1 1 14 1  12  o 138.2216 13.99746 1.405591       0.2634712     1.454016       0.4588853     1.381777       0.3217982     131.2894 26.23027 134.6173 17.74433 -3.327942      31.66841 
1 1 1 14 1  13  o 141.7945 14.01456 1.479907       0.2708040     1.577673       0.4727643     1.432163       0.3303743     137.0205 25.93721 136.8839 17.90840 0.1366425      31.51904 
1 1 1 14 1  14  o 86.89796 15.23110 0.5703229      0.1760967     0.7350900      0.3157599     0.4959435      0.2121525     93.56537 24.24332 78.92631 19.56450 14.63906       31.15298 
1 1 1 14 1  15  o 149.1765 17.65583 1.697900       0.3566307     0.000000       0.000000      1.697900       0.3566307     ?        ?        149.1765 17.65583 0.000000       17.65583 
1 1 1 14 1  16  o 165.9307 14.24710 2.031835       0.3232650     1.941542       0.3924077     2.222518       0.5702510     159.0464 18.19541 161.9903 26.40369 -2.943909      32.06599 
1 1 1 14 1  17  o 218.5674 14.12189 3.515852       0.4239234     3.635478       0.5178432     3.272801       0.7381346     218.9790 17.26615 194.0408 28.38863 24.93819       33.22701 
1 1 1 14 1  18  f 137.0181 12.32640 1.368481       0.2307166     1.264942       0.3289563     1.468721       0.3236731     127.0076 19.37041 138.6094 17.28703 -11.60183      25.96255 
1 1 1 14 1  19  o 86.46140 13.32262 0.5562236      0.1539474     0.7093192      0.2209848     0.4118667      0.2145853     95.66956 17.36793 71.25661 20.62707 24.41294       26.96518 
1 1 1 14 1  20  o 98.05051 12.92584 0.7103304      0.1707376     0.7501534      0.2435935     0.6718730      0.2393805     97.51254 18.77242 91.71437 19.50243 5.798172       27.06933 
1 1 1 14 1  21  o 53.87241 14.28030 0.2217481      0.1079463     0.3035875      0.1550780     0.1448229      0.1503500     62.15809 17.38690 47.04475 17.42839 15.11334       24.61815 
1 1 1 14 1  22  o 59.43562 14.68592 0.2715578      0.1198286     0.3661552      0.1734067     0.1851017      0.1657770     67.82943 18.15537 51.17693 18.40207 16.65250       25.85060 
1 1 1 14 1  23  o 84.39618 13.69024 0.5347282      0.1540747     0.5762467      0.2217398     0.4959698      0.2142426     84.55501 19.40326 78.09664 19.83064 6.458366       27.74420 
1 1 1 14 1  24  o 116.7456 12.74990 1.005239       0.2021931     0.9239957      0.2885429     1.083620       0.2834146     106.9504 20.28056 117.7547 18.00217 -10.80429      27.11788 
1 1 1 14 1  25  o 128.5850 10.96637 1.198949       0.1928501     1.143568       0.2479753     1.283708       0.3067752     123.1516 14.88446 128.3698 17.78467 -5.218262      23.19141 
1 1 1 14 1  26  o 132.3278 10.96030 1.270084       0.1984651     1.096982       0.2547861     1.537177       0.3164864     119.9138 15.76999 141.5866 16.49739 -21.67272      22.82228 
1 1 1 14 1  27  o 62.16230 12.54806 0.2911823      0.1039945     0.3485918      0.1330849     0.2011579      0.1666547     67.24498 14.73946 52.31047 18.48861 14.93451       23.64488 
1 1 1 14 1  28  o 90.96366 11.92739 0.6106037      0.1462033     0.4416700      0.1873531     0.8736877      0.2338029     74.01551 18.40830 106.2739 16.46512 -32.25838      24.69749 
1 1 1 14 1  29  o 194.4977 12.16360 2.770112       0.3250329     2.294890       0.4546337     3.266971       0.4648689     169.2617 19.82772 206.5448 16.43563 -37.28305      25.75399 
1 1 1 14 1  30  o 134.9905 11.04886 1.325777       0.2041442     1.020455       0.3221981     1.530555       0.2638674     110.5031 21.89003 143.3622 13.48805 -32.85912      25.71189 
1 1 1 14 1  31  o 146.4799 9.914269 1.545432       0.1993480     1.424083       0.2452103     1.781956       0.3423404     138.5759 12.96554 151.9505 16.58552 -13.37462      21.05195 
1 1 1 14 1  32  o 95.26003 13.50369 0.6825534      0.1726508     0.5375646      0.2540615     0.8069634      0.2353418     79.10634 22.29923 101.1057 17.49024 -21.99936      28.34015 
1 1 1 14 1  33  o 133.4671 12.66722 1.319504       0.2306529     1.297685       0.4758989     1.326203       0.2636943     115.9198 29.62152 132.3100 14.68095 -16.39022      33.06002 
1 1 1 14 1  34  o 110.1539 11.42105 0.8905358      0.1711931     0.7932556      0.2202574     1.038977       0.2720792     100.8843 16.37262 114.6125 17.76705 -13.72815      24.16052 
1 1 1 14 1  35  o 100.1584 9.793439 0.7262197      0.1337112     0.6895741      0.1796571     0.7717244      0.2001989     95.31850 14.07317 100.4064 14.89115 -5.087875      20.48903 
1 1 1 14 1  36  o 102.4138 9.023558 0.7540725      0.1263031     0.5147135      0.1803782     0.9843191      0.1769114     80.58543 16.75657 115.9365 11.18993 -35.35106      20.14937 
1 1 1 14 1  37  o 163.1427 8.671646 1.900929       0.1946456     1.629769       0.2769974     2.165432       0.2735755     147.3418 13.77463 171.9473 11.59004 -24.60548      18.00192 
1 1 1 14 1  38  o 146.5753 8.673012 1.535682       0.1747560     1.277317       0.2486799     1.787754       0.2456328     130.0721 14.07004 156.2453 11.46528 -26.17319      18.14989 
1 1 1 14 1  39  o 142.1924 8.741763 1.446474       0.1708063     1.278279       0.2439808     1.608147       0.2392032     130.3338 13.76517 147.8736 11.81352 -17.53975      18.13943 
1 1 1 14 1  40  o 88.35954 9.403839 0.5649990      0.1129720     0.4490454      0.1619004     0.6750346      0.1577148     75.46815 16.03105 95.21566 12.28204 -19.74751      20.19513 
1 1 1 14 1  41  o 127.5056 8.809310 1.164762       0.1541479     1.063831       0.2191632     1.263574       0.2168513     118.9198 13.59084 130.7474 12.15030 -11.82761      18.23022 
1 1 1 14 1  42  o 77.84745 9.759463 0.4413373      0.1026022     0.3759906      0.1459533     0.5051804      0.1442644     69.10247 15.65843 81.71449 13.23852 -12.61202      20.50476 
1 1 1 14 1  43  o 65.31819 10.61248 0.3153881      0.9243140E-01 0.3111599      0.1315383     0.3195124      0.1299124     62.92823 15.28884 63.90993 14.98185 -0.9816971     21.40571 
1 1 1 14 1  44  o 53.94714 11.65435 0.2196911      0.8427845E-01 0.2269738      0.1200079     0.2126041      0.1183842     53.83896 15.37823 52.21640 15.38026 1.622562       21.74954 
1 1 1 14 1  45  o 75.23952 10.35145 0.4150983      0.1046957     0.4416700      0.1490394     0.3892123      0.1471037     75.51173 14.82302 70.41718 15.54479 5.094559       21.47935 
1 1 1 14 1  46  o 147.1218 8.880666 1.549721       0.1795643     1.467371       0.2548126     1.630955       0.2530808     140.0731 13.33529 148.4319 12.46330 -8.358749      18.25277 
1 1 1 14 1  47  o 107.6213 9.291555 0.8348048      0.1367242     0.8121990      0.1944147     0.8569253      0.1923168     103.5125 13.95774 106.7592 13.33685 -3.246735      19.30518 
1 1 1 14 1  48  o 120.0823 9.897437 1.044186       0.1626497     0.9120544      0.2153904     1.219507       0.2481064     109.2392 14.64838 126.6653 14.44372 -17.42612      20.57173 
1 1 1 14 1  49  o 97.14183 11.17237 0.6950006      0.1471324     0.6593853      0.2078948     0.7307407      0.2082588     90.92831 17.18771 96.52639 16.19884 -5.598076      23.61821 
1 1 1 14 1  50  o 110.9275 10.86710 0.9023935      0.1643150     0.9564512      0.2867289     0.8759596      0.2005045     107.2649 20.09718 107.3876 13.84411 -0.1226959     24.40402 
1 1 1 14 1  51  o 91.62981 12.85426 0.6337136      0.1581632     0.6457561      0.2057988     0.6163380      0.2472033     89.62968 17.25466 84.48287 21.21941 5.146812       27.34934 
1 1 1 14 1  52  o 53.39436 14.93385 0.2255399      0.1144128     0.1399496      0.1792399     0.2843948      0.1486325     47.18330 18.62955 59.05289 17.18797 -11.86959      25.34731 
1 1 1 14 1  53  o 75.32748 13.65395 0.4388538      0.1367905     0.3471995      0.2176305     0.4987114      0.1758744     63.27140 21.17510 78.42937 16.74911 -15.15797      26.99848 
1 1 1 14 1  54  o 69.43225 11.94095 0.3662357      0.1103546     0.4019343      0.1484039     0.3220796      0.1650498     70.69471 15.61904 61.87746 18.14175 8.817253       23.93904 
1 1 1 14 1  55  o 57.83355 12.06395 0.2579117      0.9322271E-01 0.2703722      0.1347863     0.2464850      0.1290729     57.28650 16.27501 54.86787 16.03073 2.418629       22.84426 
1 1 1 14 1  56  f 73.85636 11.00323 0.4116686      0.1087880     0.4110272      0.1566371     0.4122662      0.1512056     70.35104 16.42317 70.86776 15.84905 -0.5167236     22.82352 
1 1 1 14 1  57  o 52.96483 12.45251 0.2210832      0.8953825E-01 0.1337017      0.1292896     0.3016177      0.1241209     42.91794 16.10970 60.64052 14.92429 -17.72258      21.96034 
1 1 1 14 1  58  o 47.07405 12.90690 0.1773809      0.8640405E-01 0.1488731      0.1239259     0.2043487      0.1205323     43.84481 15.89019 49.53972 15.70355 -5.694916      22.34053 
1 1 1 14 1  59  o 23.69365 10.37650 -0.4362362E-02 0.6477938E-01 -0.8946058E-01 0.9390682E-01 0.7289727E-01  0.8947738E-01 23.18788 10.98540 34.21108 13.26291 -11.02320      17.22161 
1 1 1 14 1  60  o 26.33786 11.12299 0.1780361E-01  0.6945141E-01 -0.1218588E-01 0.1003068     0.4542014E-01  0.9625658E-01 28.25656 12.61539 32.05550 13.28342 -3.798937      18.31931 
1 1 1 14 1  61  o 44.21287 13.14858 0.1616716      0.8618613E-01 0.1278660      0.1231816     0.1940910      0.1206296     40.79876 15.62895 47.24041 15.76515 -6.441658      22.19919 
1 1 1 14 1  62  f 53.42110 13.04349 0.2390405      0.9537963E-01 0.1675165      0.1361443     0.3079826      0.1336643     44.05852 16.53252 58.22021 16.09052 -14.16169      23.07010 
1 1 1 14 1  63  o 49.85749 13.16485 0.2130962      0.9197180E-01 0.1967167E-01  0.1321402     0.3948452      0.1280899     32.66451 14.53896 67.48065 14.19642 -34.81615      20.32043 
1 1 1 14 1  64  o 97.76087 10.82650 0.7660314      0.1436936     0.6063184      0.2041941     0.9227124      0.2022468     75.48526 19.46473 101.6451 14.84774 -26.15984      24.48124 
1 1 1 14 1  65  f 58.70863 13.24844 0.3064269      0.1048493     0.3234246      0.1512479     0.2907012      0.1454789     54.74364 17.61633 52.13608 17.30886 2.607559       24.69679 
1 1 1 14 1  66  o 42.94521 14.11036 0.1795013      0.9677278E-01 0.1289058      0.1404580     0.2252219      0.1335201     37.52563 15.83133 45.30804 16.48259 -7.782410      22.85403 
1 1 1 14 1  67  o 34.87462 13.20097 0.1143369      0.8722631E-01 0.1347255      0.1273479     0.9631807E-01  0.1197185     36.53365 15.22044 33.71331 14.43302 2.820335       20.97556 
1 1 1 14 1  68  o 38.17624 14.43919 0.1632406      0.1043044     0.1642158      0.1381811     0.1619490      0.1590225     36.96402 15.65427 36.47469 16.10567 0.4893303      22.45994 
1 1 1 14 1  69  o 27.79896 12.68887 0.4308971E-01  0.1082419     0.4186093      0.1822957     -0.1614009     0.1345231     47.83508 18.81919 22.33518 11.11168 25.49990       21.85478 
1 1 1 14 1  70  o 36.24953 15.66625 0.2231570      0.1436121     0.3989829      0.2130621     0.7676392E-01  0.1944130     39.34913 17.89939 29.60118 14.45644 9.747946       23.00819 
1 1 1 14 1  71  o 25.44766 12.02777 0.4376598E-01  0.1113385     -0.9207985E-01 0.1564804     0.1830547      0.1584509     23.24123 11.62766 30.93690 14.53740 -7.695669      18.61554 
1 1 1 14 1  72  o 19.92204 9.626341 -0.1836705E-01 0.8027816E-01 0.5434219E-02  0.1337644     -0.3176543E-01 0.1003614     23.11982 11.42762 20.72299 10.17549 2.396828       15.30134 
1 1 1 14 1  73  o 24.87599 11.55145 0.1085450      0.9528300E-01 0.1502457      0.1286619     0.5789712E-01  0.1417943     25.36554 12.23948 22.63717 11.28544 2.728367       16.64831 
1 1 1 14 1  74  o 25.84885 11.86622 0.1749377      0.9648545E-01 0.1680013      0.1382495     0.1815245      0.1347210     22.90528 11.37337 23.37773 11.53878 -0.4724483     16.20177 
1 1 1 14 1  75  o 18.94984 9.300691 0.6599244E-01  0.8355307E-01 0.1189689      0.1204136     0.1680131E-01  0.1160320     19.61407 9.866497 17.74685 9.012490 1.867220       13.36311 
1 1 1 14 1  76  o 14.87949 7.529065 -0.1749582E-01 0.7626456E-01 -0.1098666     0.1099141     0.6826148E-01  0.1059063     14.45157 7.433336 16.77731 8.529158 -2.325737      11.31375 
1 1 1 14 1  77  o 13.85324 7.049671 -0.8870383E-02 0.7369761E-01 -0.1341510     0.1068641     0.1047526      0.1017707     13.08857 6.758227 15.74846 8.038497 -2.659893      10.50196 
1 1 1 14 1  78  o 11.51118 5.917548 -0.7822309E-01 0.6820001E-01 -0.9929097E-01 0.9816109E-01 -0.5856324E-01 0.9482423E-01 12.12612 6.268558 12.41089 6.406655 -0.2847729     8.963261 
1 1 1 14 1  79  o 11.37888 5.860625 -0.4134358E-01 0.7181845E-01 -0.1016023     0.1038211     0.1395110E-01  0.9945290E-01 11.41201 5.920527 12.16065 6.289010 -0.7486372     8.637377 
1 1 1 14 1  80  o 11.86360 6.124164 0.9701259E-01  0.8666133E-01 0.1059582      0.1244904     0.8860171E-01  0.1207122     11.54129 5.997418 11.48589 5.967502 0.5539894E-01  8.460503 
1 1 1 14 1  81  o 10.42548 5.406209 0.5824704E-01  0.8348512E-01 0.7918801E-01  0.1202845     0.3878289E-01  0.1159655     10.34558 5.382815 10.21897 5.316651 0.1266136      7.565810 
1 1 1 14 1  82  o 8.730537 4.537233 -0.3137754E-01 0.7195073E-01 -0.1954819     0.1037643     0.1205962      0.9985559E-01 8.430612 4.390120 9.348057 4.864288 -0.9174452     6.552438 
1 1 1 14 1  83  o 7.815620 4.067946 -0.1475438E-01 0.7522071E-01 -0.7537519E-01 0.1083393     0.4166746E-01  0.1045198     7.756011 4.039186 7.971722 4.151746 -0.2157111     5.792411 
1 1 1 14 1  84  o 6.971388 3.630617 -0.2355791E-02 0.7803316E-01 0.5502129E-02  0.1128396     -0.9557951E-02 0.1080287     6.995405 3.641010 6.975443 3.631267 0.1996183E-01  5.142281 
1 1 1 14 1  85  o 6.075329 3.162557 0.1175370E-01  0.8139364E-01 0.8100941E-01  0.1172804     -0.5259820E-01 0.1130520     6.123475 3.182030 6.025014 3.130948 0.9846115E-01  4.464096 
1 1 1 14 1  86  o 5.189941 2.696830 0.4099782E-01  0.8434839E-01 0.7582414E-01  0.1217068     0.8810135E-02  0.1170054     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 1  87  o ?        ?        -0.3684454E-01 0.8247924E-01 -0.6138102E-01 0.1100039     -0.5339001E-02 0.1246509     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 1  88  o ?        ?        0.7085459E-01  0.1031439     0.1288209E-01  0.1453245     0.1297017      0.1464167     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 1  89  o ?        ?        0.2822373E-01  0.1004831     0.1823240      0.1868945     -0.3443270E-01 0.1191729     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 1  90  o ?        ?        -0.9193840E-01 0.8787875E-01 -0.2068588     0.1217067     0.3323983E-01  0.1270224     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 1  91  o ?        ?        -0.1008900     0.1019727     -0.8519476E-01 0.1266152     -0.1298633     0.1720285     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  0   o 127.0551 28.74492 1.374037       0.4398250     1.374037       0.4398250     0.000000       0.000000      127.0551 28.74492 127.0551 28.74492 0.000000       0.000000 
1 1 1 14 2  1   o 125.6130 17.36691 1.201537       0.2931702     1.201537       0.2931702     0.000000       0.000000      125.6130 17.36691 ?        ?        0.000000       17.36691 
1 1 1 14 2  2   o 72.37476 22.42614 0.4244679      0.2472589     0.4244679      0.2472589     0.000000       0.000000      72.37476 22.42614 ?        ?        0.000000       22.42614 
1 1 1 14 2  3   o 159.1575 17.03928 1.914187       0.3686512     1.914187       0.3686512     0.000000       0.000000      159.1575 17.03928 ?        ?        0.000000       17.03928 
1 1 1 14 2  4   o 149.7010 17.12122 1.697138       0.3475487     1.697138       0.3475487     0.000000       0.000000      149.7010 17.12122 ?        ?        0.000000       17.12122 
1 1 1 14 2  5   o 194.2119 13.62302 2.759154       0.3630193     2.263272       0.6293179     3.006446       0.4444120     160.5386 29.47537 200.4890 16.19118 -39.95038      33.62963 
1 1 1 14 2  6   o 86.11413 12.41370 0.5448838      0.1433452     0.6356020      0.2038648     0.4561739      0.2015957     91.03160 16.83876 75.79902 19.23055 15.23258       25.56087 
1 1 1 14 2  7   o 115.8209 11.96769 0.9749605      0.1886373     0.8631136      0.2665814     1.087130       0.2669658     105.0309 19.08420 119.7638 16.58873 -14.73294      25.28621 
1 1 1 14 2  8   o 135.5671 13.95243 1.355345       0.2574517     1.469720       0.4514789     1.300232       0.3134008     132.0334 25.68828 130.1773 17.90947 1.856125       31.31512 
1 1 1 14 2  9   o 79.37971 12.96980 0.4673532      0.1372507     0.5207320      0.1942653     0.4141538      0.1939386     81.69367 17.73044 72.17036 19.14600 9.523308       26.09479 
1 1 1 14 2  10  o 50.65769 13.42733 0.1936737      0.9543984E-01 0.2295891      0.1330498     0.1556046      0.1369807     54.82830 16.34394 47.45277 16.76302 7.375526       23.41203 
1 1 1 14 2  11  o 71.08118 13.59843 0.3793100      0.1286062     0.3379837      0.1816412     0.4208513      0.1821129     65.37962 18.99275 73.07601 18.13391 -7.696396      26.25954 
1 1 1 14 2  12  o 72.62205 13.45011 0.3951778      0.1299082     0.5198631      0.1831747     0.2690025      0.1842659     82.00923 16.74218 59.15838 19.47242 22.85085       25.68026 
1 1 1 14 2  13  o 161.4966 14.13352 1.927978       0.3120019     1.495806       0.5463599     2.137110       0.3800676     126.4534 31.42743 168.0442 16.59629 -41.59078      35.54040 
1 1 1 14 2  14  o 74.08580 19.82753 0.4424752      0.2068353     0.7511374      0.3089904     0.1918815      0.2784122     94.33434 23.73985 57.25132 23.01378 37.08302       33.06380 
1 1 1 14 2  15  o 124.7522 14.45783 1.160393       0.2444350     1.194943       0.3010063     1.093493       0.4188579     124.1517 18.09004 110.9532 27.48225 13.19843       32.90173 
1 1 1 14 2  16  o 91.95103 15.06226 0.6404268      0.1846191     0.6361037      0.3145664     0.6426983      0.2280207     85.71189 25.02135 89.92943 18.95991 -4.217537      31.39340 
1 1 1 14 2  17  o 28.51670 11.89033 0.1754554E-01  0.7781040E-01 0.2769292E-01  0.1271670     0.1147289E-01  0.9837538E-01 35.83203 15.08740 31.00081 13.17258 4.831217       20.02864 
1 1 1 14 2  18  o 43.42043 14.87441 0.1329234      0.1074108     0.3297248      0.1832999     0.3000732E-01  0.1325531     64.23856 19.19148 36.57679 15.40242 27.66177       24.60788 
1 1 1 14 2  19  o 42.99305 14.95615 0.1285259      0.1087863     0.1748233      0.1841188     0.1036947      0.1348397     51.16600 19.22080 42.41857 16.32702 8.747429       25.21925 
1 1 1 14 2  20  o 107.6388 15.06402 0.8767707      0.2177631     1.001169       0.3738408     0.8128840      0.2679076     106.8929 25.65438 100.3591 20.03430 6.533852       32.55028 
1 1 1 14 2  21  o 136.1204 14.53224 1.388606       0.2689234     1.621657       0.4633909     1.270257       0.3302203     137.1419 25.40590 126.2985 19.56806 10.84344       32.06819 
1 1 1 14 2  22  o 91.59230 44.86615 1.071053       1.914967      1.149074       2.702592      0.9923831      2.713786      92.14552 46.40152 91.49583 46.12778 0.6496887      65.42838 
1 1 1 14 2  23  o 77.63580 13.84804 0.4562903      0.1430082     0.4255240      0.1962890     0.4910957      0.2087762     72.31711 19.29824 77.62751 19.50218 -5.310402      27.43642 
1 1 1 14 2  24  o 86.57837 13.63628 0.5640785      0.1576278     0.4302999      0.2168515     0.7139536      0.2295270     72.04221 20.70139 94.84274 18.18811 -22.80054      27.55640 
1 1 1 14 2  25  o 84.30910 12.42013 0.5285005      0.1402582     0.5970920      0.1797332     0.4216769      0.2242987     88.18292 15.31637 71.07465 21.22859 17.10828       26.17717 
1 1 1 14 2  26  o 108.3155 11.74652 0.8614152      0.1728706     0.8598151      0.2225579     0.8638487      0.2744780     105.8486 15.70337 103.0413 20.01251 2.807350       25.43809 
1 1 1 14 2  27  o 80.97427 14.49276 0.5010483      0.1560953     0.4811310      0.1801651     0.5610083      0.3125983     77.85982 17.21520 79.20308 25.30892 -1.343262      30.60890 
1 1 1 14 2  28  o 80.60394 14.65989 0.4980571      0.1571536     0.4667794      0.1814519     0.5919454      0.3143767     76.42583 17.56276 81.14236 25.31118 -4.716530      30.80757 
1 1 1 14 2  29  o 115.0784 10.47386 0.9612840      0.1646112     0.9742622      0.2360846     0.9490045      0.2296399     112.6734 15.59217 111.3582 15.34168 1.315208       21.87425 
1 1 1 14 2  30  o 68.20090 12.30569 0.3493693      0.1116229     0.2390753      0.1615876     0.4500386      0.1543764     55.30158 18.23636 76.18310 15.20787 -20.88152      23.74540 
1 1 1 14 2  31  o 50.35778 14.27350 0.1954522      0.1037968     0.2929882      0.1760924     0.1435203      0.1284918     60.25542 18.96754 45.26294 16.20888 14.99248       24.94986 
1 1 1 14 2  32  o 86.00033 14.15755 0.5636421      0.1622710     0.5604723      0.3312881     0.5646426      0.1861281     78.17742 26.12592 84.71779 16.50443 -6.540367      30.90242 
1 1 1 14 2  33  o 61.49078 15.23195 0.2964957      0.1286614     0.2226935      0.1876538     0.3619668      0.1767452     54.34772 19.57483 66.56905 18.54101 -12.22133      26.96188 
1 1 1 14 2  34  o 109.4064 11.82049 0.8832136      0.1757351     0.8859072      0.2300870     0.8794424      0.2722548     106.7933 16.10350 103.6290 19.74738 3.164291       25.48100 
1 1 1 14 2  35  o 60.34525 12.84302 0.2775975      0.1037305     0.2659945      0.1497375     0.2883038      0.1438347     57.71323 17.36926 60.09759 16.72150 -2.384361      24.11016 
1 1 1 14 2  36  o 78.74093 12.09377 0.4630834      0.1272876     0.5797014      0.1821034     0.3516735      0.1779908     86.12238 15.89884 65.47515 18.73754 20.64723       24.57374 
1 1 1 14 2  37  o 163.4813 10.25259 1.934746       0.2302694     1.695784       0.3270881     2.169551       0.3242308     147.9598 16.27895 169.9026 13.94319 -21.94279      21.43401 
1 1 1 14 2  38  o 84.37920 12.94859 0.5361564      0.1460491     0.3169064      0.2312761     0.6815835      0.1883577     62.13916 21.79634 94.08742 15.00204 -31.94825      26.46019 
1 1 1 14 2  39  o 54.86954 14.82144 0.2352978      0.1149427     0.3013523      0.1815971     0.1911455      0.1484684     60.78727 19.27595 50.41506 17.47601 10.37222       26.01871 
1 1 1 14 2  40  o 138.0674 11.62289 1.400245       0.2195252     0.8812714      0.3441169     1.756385       0.2850651     98.63506 25.17981 153.0588 13.63066 -54.42374      28.63246 
1 1 1 14 2  41  f 136.5985 10.32890 1.353410       0.1933826     1.439944       0.2699960     1.262254       0.2771112     137.9027 14.39104 127.6920 16.07247 10.21068       21.57374 
1 1 1 14 2  42  o 151.0380 10.29166 1.652466       0.2133602     1.688482       0.2977936     1.614477       0.3058412     149.2061 14.64276 145.1077 15.50395 4.098419       21.32564 
1 1 1 14 2  43  o 86.47713 10.53518 0.5473447      0.1232002     0.5738773      0.1595649     0.5081798      0.1938636     86.93946 13.74901 79.18556 18.12204 7.753899       22.74738 
1 1 1 14 2  44  o 73.99760 11.06849 0.4049853      0.1096212     0.3942661      0.1427716     0.4203805      0.1711011     71.14855 15.00474 72.27161 17.36236 -1.123062      22.94764 
1 1 1 14 2  45  o 77.54649 11.67232 0.4473093      0.1211108     0.3807298      0.1670962     0.5209949      0.1757873     68.59461 17.56526 81.32397 16.22295 -12.72936      23.91072 
1 1 1 14 2  46  o 88.84926 11.38157 0.5832826      0.1364250     0.4672289      0.1883270     0.7114307      0.1978969     75.67921 18.23676 95.79232 15.49004 -20.11311      23.92741 
1 1 1 14 2  47  o 66.54727 11.57391 0.3314589      0.1024909     0.3523256      0.1540107     0.3148721      0.1373107     66.20869 16.81438 62.99027 15.81100 3.218414       23.08054 
1 1 1 14 2  48  o 94.50043 10.09703 0.6511469      0.1297150     0.5673442      0.1731725     0.7582722      0.1957925     85.35266 15.25324 99.29075 14.72710 -13.93809      21.20256 
1 1 1 14 2  49  o 81.34246 11.47842 0.4923522      0.1253419     0.4897428      0.1792358     0.4948495      0.1753485     77.91118 17.12719 78.61707 16.66989 -0.7058945     23.90033 
1 1 1 14 2  50  o 42.26188 14.95267 0.1271546      0.1090324     0.2128462      0.1784459     0.7610403E-01  0.1377330     52.69134 19.07220 39.75756 16.11453 12.93378       24.96852 
1 1 1 14 2  51  o 50.68633 15.22888 0.2029043      0.1151786     0.1959483      0.1799937     0.2077275      0.1498833     51.21428 19.05019 51.42467 17.57106 -0.2103920     25.91624 
1 1 1 14 2  52  o 42.40432 12.69168 0.1375504      0.8011044E-01 0.1068527      0.1217194     0.1610095      0.1064052     40.82248 15.56013 45.69292 14.78338 -4.870441      21.46313 
1 1 1 14 2  53  o 25.42911 10.71348 0.1205027E-01  0.6418315E-01 -0.4113695E-01 0.8963472E-01 0.6801672E-01  0.9194677E-01 25.50339 11.60447 34.61114 13.43722 -9.107754      17.75451 
1 1 1 14 2  54  o 41.95734 13.11606 0.1356386      0.8436660E-01 0.3515783E-01  0.1148039     0.2536144      0.1243975     34.01209 14.32893 55.68692 15.57072 -21.67483      21.16047 
1 1 1 14 2  55  o 44.52622 12.66713 0.1558219      0.8159311E-01 0.2109895      0.1180862     0.1054200      0.1128706     50.75817 15.45811 39.56594 15.00706 11.19223       21.54449 
1 1 1 14 2  56  o 47.16649 12.79909 0.1769737      0.8548441E-01 0.2279085      0.1234725     0.1300832      0.1184691     52.26014 15.78252 41.99789 15.48806 10.26225       22.11262 
1 1 1 14 2  57  o 68.94673 11.33810 0.3663970      0.1041892     0.3779400      0.1484975     0.3552052      0.1462205     66.54163 16.29236 64.36491 16.40403 2.176727       23.11997 
1 1 1 14 2  58  o 70.91744 11.22957 0.3889763      0.1063019     0.3255582      0.1520361     0.4496314      0.1486872     60.42347 17.32527 73.29227 15.19086 -12.86879      23.04186 
1 1 1 14 2  59  o 51.80426 12.78087 0.2192882      0.9086065E-01 0.2486893      0.1308167     0.1918843      0.1262953     53.00574 16.29359 47.20107 16.12927 5.804672       22.92672 
1 1 1 14 2  60  o 87.68657 10.74742 0.5957428      0.1274052     0.5924916      0.1824695     0.5988357      0.1779710     81.51726 16.77030 82.62701 16.17772 -1.109749      23.30153 
1 1 1 14 2  61  f 52.49987 12.83712 0.2310849      0.9228408E-01 0.1586721      0.1340960     0.2962373      0.1271960     43.03772 16.34933 57.22809 15.64720 -14.19037      22.63041 
1 1 1 14 2  62  o 50.49883 13.28222 0.2207551      0.9385647E-01 0.1529439      0.1370332     0.2806757      0.1288139     41.89057 16.36489 54.54131 16.03734 -12.65074      22.91301 
1 1 1 14 2  63  o 42.34765 13.39565 0.1593048      0.8774264E-01 0.1887523      0.1291041     0.1340280      0.1196124     44.19508 16.18788 39.28972 15.30582 4.905365       22.27814 
1 1 1 14 2  64  o 41.19925 13.35870 0.1551327      0.8684885E-01 0.1873784      0.1273302     0.1270804      0.1187625     43.09203 16.02395 37.85637 15.09532 5.235657       22.01444 
1 1 1 14 2  65  f 36.33236 13.03651 0.1205039      0.8315633E-01 0.8915363E-01  0.1214481     0.1481740      0.1140974     34.13490 14.57317 38.73817 14.98832 -4.603271      20.90520 
1 1 1 14 2  66  o 42.30046 14.15390 0.1865916      0.9723446E-01 0.2542230      0.1287099     0.9668002E-01  0.1484040     46.35110 16.26004 34.16541 15.29244 12.18570       22.32146 
1 1 1 14 2  67  o 35.24619 13.93105 0.1336815      0.1003284     0.1883635      0.1421043     0.7933463E-01  0.1416682     38.10229 15.99110 31.81748 14.52054 6.284809       21.60003 
1 1 1 14 2  68  o 26.81179 11.66635 0.5134215E-01  0.8072681E-01 0.1387328      0.1310446     -0.2103396E-02 0.1024808     33.39965 14.68950 24.91915 11.70373 8.480499       18.78188 
1 1 1 14 2  69  o 26.22139 11.78337 0.5273139E-01  0.8904608E-01 -0.1511154E-01 0.1380993     0.1010109      0.1164986     25.32690 12.32812 29.58103 13.36802 -4.254128      18.18478 
1 1 1 14 2  70  o 31.72358 14.18754 0.1790020      0.1274476     0.2113645      0.1933568     0.1541409      0.1694720     30.38326 14.74264 29.26765 14.10325 1.115614       20.40213 
1 1 1 14 2  71  o 24.37862 11.40602 0.6743980E-01  0.9575288E-01 -0.5720636E-01 0.1607671     0.1359655      0.1192022     22.26310 11.22440 27.28354 12.75273 -5.020437      16.98879 
1 1 1 14 2  72  o 21.52744 10.26229 0.4503339E-01  0.8452842E-01 0.1260570E-02  0.1286303     0.7830314E-01  0.1121414     20.97635 10.50150 22.91936 11.14544 -1.943007      15.31347 
1 1 1 14 2  73  o 16.92893 8.329975 -0.1685428E-01 0.6840324E-01 -0.1067238     0.9934118E-01 0.6417206E-01  0.9432706E-01 16.39825 8.328797 20.56733 10.04990 -4.169079      13.05256 
1 1 1 14 2  74  o 11.15708 5.690524 -0.1238184     0.5021049E-01 -0.1198181     0.8557761E-01 -0.1259185     0.6200461E-01 14.31928 7.314035 12.42687 6.336851 1.892403       9.677334 
1 1 1 14 2  75  o 21.27752 10.36726 0.2400009      0.9835123E-01 0.3235053      0.1430900     0.1652231      0.1354070     19.36279 9.850424 17.55070 8.983163 1.812088       13.33147 
1 1 1 14 2  76  o 16.00544 8.087142 0.1046417      0.8612020E-01 0.1603532      0.1259220     0.5568296E-01  0.1180441     15.77765 8.108763 14.81648 7.625412 0.9611750      11.13099 
1 1 1 14 2  77  o 14.42198 7.369425 0.1138829      0.8766525E-01 0.1265375      0.1277250     0.1026118      0.1205414     13.82990 7.149364 13.72857 7.091801 0.1013336      10.07011 
1 1 1 14 2  78  o 13.59069 6.980726 0.1527748      0.9029330E-01 0.1912166      0.1309893     0.1179718      0.1246355     13.00339 6.743618 12.66702 6.569440 0.3363686      9.414559 
1 1 1 14 2  79  o 10.75275 5.551651 -0.1868740E-01 0.7177468E-01 0.5395164E-01  0.1062047     -0.7975437E-01 0.9737819E-01 11.34682 5.889115 10.58125 5.494843 0.7655725      8.054501 
1 1 1 14 2  80  o 9.855464 5.104640 -0.1297895E-01 0.6884134E-01 -0.1102236     0.1025767     0.6671448E-01  0.9285966E-01 9.614368 5.002094 10.38711 5.393520 -0.7727461     7.356018 
1 1 1 14 2  81  o 8.832521 4.589896 -0.1288292E-01 0.7315872E-01 -0.1516078     0.1086342     0.1022453      0.9896467E-01 8.568923 4.462133 9.280432 4.829263 -0.7115088     6.575136 
1 1 1 14 2  82  o 7.429570 3.867461 -0.1076188     0.6909587E-01 -0.1134673     0.1036460     -0.1029404     0.9270026E-01 7.675183 3.997232 7.642827 3.980228 0.3235579E-01  5.640929 
1 1 1 14 2  83  o 6.955344 3.622000 -0.1069859E-01 0.7207002E-01 0.1777880E-01  0.1087484     -0.3300122E-01 0.9623896E-01 7.022604 3.655667 6.943692 3.615670 0.7891226E-01  5.141690 
1 1 1 14 2  84  o 6.041376 3.145972 -0.2220642E-01 0.7115296E-01 -0.1100469     0.1059768     0.4988984E-01  0.9601073E-01 5.998309 3.118207 6.145013 3.197059 -0.1467042     4.465916 
1 1 1 14 2  85  o 5.166986 2.686611 -0.1461194E-01 0.7664037E-01 -0.5001263E-01 0.1124415     0.1610513E-01  0.1047396     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  86  o ?        ?        0.8809388E-01  0.9655873E-01 0.4111625E-01  0.1267340     0.1530992      0.1490809     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  87  o ?        ?        0.1985330E-01  0.9819403E-01 0.3063113E-01  0.1406732     0.9611685E-02  0.1371292     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  88  o ?        ?        -0.4096301E-01 0.9074771E-01 0.7124901E-01  0.1664803     -0.8839919E-01 0.1082425     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  89  o ?        ?        -0.8189095E-01 0.8158239E-01 0.2830029E-01  0.1288088     -0.1557030     0.1054231     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 2  90  o ?        ?        0.4689306E-02  0.1175486     -0.1604377E-01 0.1489884     0.3887642E-01  0.1913162     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  0   f 193.7019 26.95118 3.020126       0.6809601     0.000000       0.000000      3.020126       0.6809601     193.7019 26.95118 193.7019 26.95118 0.000000       0.000000 
1 1 1 14 3  1   o 176.9240 17.90952 2.410900       0.4315034     2.510855       0.6092846     2.310316       0.6111959     170.5605 26.75032 161.4764 28.45098 9.084061       39.05173 
1 1 1 14 3  2   o 124.3341 18.76041 1.210540       0.3120652     1.670197       0.4398678     0.7447326      0.4428005     142.2476 23.19373 89.05090 30.20237 53.19674       38.08060 
1 1 1 14 3  3   o 43.95114 14.20810 0.1408429      0.9830036E-01 0.4026884      0.1140073     -0.6179060     0.1940704     73.96223 11.53983 23.93648 12.09988 50.02575       16.72049 
1 1 1 14 3  4   o 140.8951 14.26104 1.476841       0.2736288     1.504043       0.4763922     1.463448       0.3342682     130.7433 27.27065 137.3961 18.05632 -6.652786      32.70656 
1 1 1 14 3  5   o 153.8710 12.15426 1.725976       0.2561376     1.362847       0.3591154     2.101995       0.3654339     130.4271 20.62609 166.7204 16.07296 -36.29326      26.14911 
1 1 1 14 3  6   o 211.4456 11.95542 3.246779       0.3476309     3.172214       0.4904976     3.322033       0.4927589     203.2372 17.65352 208.4434 17.27590 -5.206177      24.70028 
1 1 1 14 3  7   o 170.9541 11.99740 2.126699       0.2814135     2.070352       0.3968975     2.183663       0.3990689     163.7553 17.84146 168.6463 17.38625 -4.891037      24.91183 
1 1 1 14 3  8   o 119.5964 14.52810 1.071629       0.2349925     1.298600       0.4092314     0.9599699      0.2870331     123.3048 24.89311 109.6997 19.67181 13.60513       31.72771 
1 1 1 14 3  9   o 150.1653 14.02859 1.675327       0.2875156     1.373252       0.3536691     2.264036       0.4937313     131.1097 20.18289 166.8268 21.96741 -35.71710      29.83146 
1 1 1 14 3  10  o 141.4532 14.15083 1.490398       0.2726885     1.418210       0.3378315     1.625366       0.4619376     134.4550 18.70290 137.8009 25.20577 -3.345901      31.38677 
1 1 1 14 3  11  o 83.61076 12.74256 0.5198804      0.1424637     0.5029579      0.1662281     0.5666991      0.2764919     80.92867 15.43861 81.45599 23.36640 -0.5273132     28.00606 
1 1 1 14 3  12  o 129.4002 12.26457 1.227278       0.2165252     1.349543       0.3057640     1.104293       0.3066637     132.2735 17.14406 117.7096 19.55350 14.56392       26.00497 
1 1 1 14 3  13  o 186.2282 9.641937 2.480831       0.2470912     2.421040       0.3009955     2.604391       0.4326940     182.2150 12.03064 184.0436 17.22678 -1.828583      21.01186 
1 1 1 14 3  14  o 142.9268 9.739332 1.465178       0.1910665     1.617608       0.2328544     1.151052       0.3342729     149.2038 11.38830 118.7729 21.15760 30.43088       24.02785 
1 1 1 14 3  15  o 162.1732 9.708614 1.884745       0.2164078     1.992455       0.2640160     1.664201       0.3777897     165.4623 11.62952 144.8242 19.37748 20.63806       22.59939 
1 1 1 14 3  16  o 153.1340 9.746191 1.682171       0.2050123     1.608738       0.2493449     1.835395       0.3601800     148.1118 12.30331 154.1349 17.21730 -6.023102      21.16145 
1 1 1 14 3  17  o 98.15233 10.19562 0.6975203      0.1361660     0.8706290      0.1656374     0.3366672      0.2391466     109.2987 11.13035 64.43739 22.18869 44.86127       24.82383 
1 1 1 14 3  18  o 113.0167 10.05208 0.9218549      0.1552312     1.023124       0.1891727     0.7131017      0.2716050     118.1968 11.74642 92.30180 21.67941 25.89503       24.65716 
1 1 1 14 3  19  f 72.78235 11.04564 0.3900581      0.1075215     0.4660669      0.1303791     0.2284632      0.1901036     79.12065 12.33616 55.24677 19.72289 23.87388       23.26312 
1 1 1 14 3  20  o 83.03449 10.85740 0.5047990      0.1215051     0.4681732      0.1471132     0.5834064      0.2155211     78.44611 14.09965 84.98905 18.85783 -6.542938      23.54608 
1 1 1 14 3  21  o 133.6341 11.03262 1.298837       0.2017590     1.351125       0.2241786     1.075946       0.4628499     135.6307 12.09709 104.7924 30.28229 30.83836       32.60915 
1 1 1 14 3  22  o 69.29694 12.65192 0.3613628      0.1166012     0.4242064      0.1286937     0.7331638E-01  0.2755229     75.11534 12.87075 50.35350 21.73065 24.76184       25.25623 
1 1 1 14 3  23  o 91.35152 13.73891 0.6296799      0.1679375     0.6240659      0.1931835     0.6470469      0.3397776     89.50295 16.22891 83.98171 26.33301 5.521240       30.93227 
1 1 1 14 3  24  o 104.0854 11.76467 0.7976909      0.1661178     0.7817161      0.2152337     0.8212261      0.2612480     100.4660 16.05565 100.5404 19.52186 -0.7440186E-01 25.27621 
1 1 1 14 3  25  f 105.6313 13.28216 0.8352176      0.1894474     0.9015116      0.2690788     0.7700541      0.2667743     105.6939 19.14182 96.34459 20.67202 9.349297       28.17342 
1 1 1 14 3  26  o 140.0683 12.70455 1.453165       0.2430446     1.324162       0.3434714     1.582537       0.3439629     127.4669 20.18695 141.6350 17.99352 -14.16813      27.04218 
1 1 1 14 3  27  o 103.5120 15.85258 0.8287904      0.2193679     1.479075       0.3779111     0.4983256      0.2694017     133.7637 21.16469 75.42926 23.41473 58.33441       31.56254 
1 1 1 14 3  28  o 101.4511 11.87433 0.7604395      0.1631958     0.7285418      0.2606782     0.7809990      0.2092822     93.40411 20.75085 100.5862 15.57115 -7.182076      25.94337 
1 1 1 14 3  29  o 81.96564 17.48112 0.5374974      0.1918140     0.7400460      0.3356477     0.4392688      0.2337428     89.79229 25.74125 71.69947 21.72890 18.09282       33.68616 
1 1 1 14 3  30  o 91.29479 17.11413 0.6602691      0.2078175     1.021943       0.3662145     0.4884787      0.2523923     106.6518 25.25708 74.99983 22.54557 31.65197       33.85591 
1 1 1 14 3  31  o 153.9093 12.55016 1.753748       0.2643956     1.887579       0.3804543     1.628743       0.3676958     154.2292 18.21648 142.1728 19.22273 12.05640       26.48308 
1 1 1 14 3  32  o 162.3494 14.83197 2.001843       0.3288244     2.109675       0.4053949     1.794453       0.5622101     162.9289 18.33825 134.8793 30.85580 28.04953       35.89390 
1 1 1 14 3  33  o 111.0451 13.84101 0.9313698      0.2076220     1.138540       0.2938111     0.7247323      0.2934329     119.2396 18.43976 90.83036 23.28648 28.40926       29.70328 
1 1 1 14 3  34  o 165.3680 11.19003 1.996855       0.2540137     2.088139       0.4049191     1.937623       0.3261764     161.9202 18.43933 159.5239 14.98331 2.396271       23.75939 
1 1 1 14 3  35  f 106.2973 12.00310 0.8365796      0.1730930     0.7292501      0.2756121     0.9064854      0.2224308     92.25172 21.95404 108.5596 15.25980 -16.30783      26.73652 
1 1 1 14 3  36  o 74.22993 13.39117 0.4192955      0.1322073     0.1961133      0.2117404     0.5618989      0.1692540     53.16031 20.46024 85.33067 14.90725 -32.17036      25.31496 
1 1 1 14 3  37  o 52.46275 13.73007 0.2126500      0.1006186     0.2758989      0.1453967     0.1545224      0.1393859     58.75515 16.97070 46.71738 16.86433 12.03777       23.92510 
1 1 1 14 3  38  o 43.24543 13.50452 0.1400923      0.8946448E-01 0.8756801E-01  0.1269053     0.1919865      0.1261419     40.03841 15.71783 49.99581 16.08788 -9.957397      22.49155 
1 1 1 14 3  39  o 103.0462 12.48258 0.7904471      0.1739893     0.9243560      0.2212999     0.5736862      0.2815574     109.8792 14.97578 80.34159 23.73476 29.53765       28.06444 
1 1 1 14 3  40  o 158.1664 13.13381 1.863374       0.2842473     1.969990       0.3985881     1.753044       0.4054731     156.9774 18.76028 145.9546 20.69892 11.02280       27.93552 
1 1 1 14 3  41  o 76.97067 13.97484 0.4534083      0.1430582     0.9118511E-01  0.2226414     0.7081239      0.1867005     47.46663 19.97350 96.27596 14.49327 -48.80934      24.67784 
1 1 1 14 3  42  o 110.7763 12.37257 0.9116800      0.1860210     0.9657672      0.2947827     0.8758889      0.2397961     107.8836 20.53852 105.3790 17.06309 2.504654       26.70168 
1 1 1 14 3  43  o 78.83162 12.54616 0.4671670      0.1319912     0.4409404      0.1859407     0.4938056      0.1873954     73.39043 18.38660 78.14168 17.76921 -4.751244      25.56974 
1 1 1 14 3  44  f 107.4661 11.26036 0.8494362      0.1646127     0.8143718      0.2325196     0.8846690      0.2330764     101.2689 17.24629 106.2521 16.41537 -4.983208      23.80964 
1 1 1 14 3  45  o 49.01363 14.87606 0.1860046      0.1094968     0.8321100E-01  0.1419496     0.3370373      0.1720627     40.81386 16.42344 64.00203 18.45429 -23.18817      24.70405 
1 1 1 14 3  46  o 71.80299 14.61490 0.4018587      0.1399753     0.4051868      0.1813968     0.3969602      0.2200715     69.95975 18.49610 67.94229 21.17455 2.017456       28.11525 
1 1 1 14 3  47  o 70.79216 14.64162 0.3920994      0.1384003     0.4303352      0.2217768     0.3677110      0.1771222     70.41244 21.12663 66.44943 18.57962 3.963005       28.13426 
1 1 1 14 3  48  o 120.2798 12.35715 1.083231       0.2023164     1.153102       0.3241040     1.038621       0.2589689     116.3630 20.94126 114.0421 16.96187 2.320892       26.94887 
1 1 1 14 3  49  o 98.42653 12.71043 0.7336880      0.1687110     0.9163952      0.2679996     0.6137521      0.2171357     104.7037 19.24598 85.51517 18.89238 19.18857       26.96905 
1 1 1 14 3  50  o 108.2001 12.55621 0.8866651      0.1841087     0.7099150      0.2920927     1.003174       0.2371484     87.04948 23.67454 112.5300 15.68885 -25.48048      28.40112 
1 1 1 14 3  51  o 62.38459 14.60203 0.3119318      0.1235604     0.1840855      0.1622798     0.4882899      0.1905978     49.02435 18.11758 75.67612 18.41471 -26.65178      25.83309 
1 1 1 14 3  52  o 74.63010 14.14936 0.4421374      0.1404745     0.4351093      0.1841551     0.4519176      0.2172415     70.75318 18.60287 70.25741 20.87097 0.4957733      27.95825 
1 1 1 14 3  53  o 55.32957 12.72550 0.2419403      0.9519611E-01 0.2358103      0.1242277     0.2506608      0.1481700     53.24653 15.77469 54.23440 17.43445 -0.9878731     23.51172 
1 1 1 14 3  54  o 62.02171 12.74450 0.3044119      0.1054955     0.3671863      0.1390362     0.2192310      0.1619600     66.40907 15.45265 50.89091 18.20062 15.51816       23.87565 
1 1 1 14 3  55  o 52.63139 12.88147 0.2231109      0.9285621E-01 0.2199565      0.1390518     0.2256497      0.1247468     50.60471 16.92603 51.48294 15.92531 -0.8782349     23.24018 
1 1 1 14 3  56  o 108.3817 10.26891 0.8886534      0.1518469     1.104536       0.2311801     0.7248414      0.2013790     115.8320 14.79159 91.91369 16.47209 23.91836       22.13868 
1 1 1 14 3  57  o 112.6292 10.40773 0.9681671      0.1600315     1.139750       0.2449130     0.8403243      0.2114040     115.6792 15.74149 98.86552 16.03497 16.81367       22.47031 
1 1 1 14 3  58  o 53.61106 12.74008 0.2377617      0.9292036E-01 0.2260266      0.1409714     0.2467772      0.1235615     49.60011 17.03839 52.46832 15.77538 -2.868214      23.22002 
1 1 1 14 3  59  o 48.93078 13.29797 0.2047217      0.9219600E-01 0.1577853      0.1400912     0.2405821      0.1224515     42.86718 16.60190 51.21129 15.76770 -8.344109      22.89636 
1 1 1 14 3  60  o 77.56045 11.94837 0.4936478      0.1238551     0.5642996      0.1884940     0.4399673      0.1643025     75.13856 18.33052 66.80552 17.57474 8.333038       25.39447 
1 1 1 14 3  61  o 58.00171 13.05573 0.2939875      0.1020410     0.2815075      0.1553010     0.3034684      0.1353608     51.19618 17.86642 55.07319 16.50081 -3.877007      24.32047 
1 1 1 14 3  62  o 66.42786 13.96783 0.4045426      0.1240559     0.4667055      0.1728250     0.3384671      0.1781806     64.64558 18.45101 52.59272 19.05471 12.05286       26.52399 
1 1 1 14 3  63  o 42.50235 14.98867 0.1863506      0.1094720     0.2175481      0.1699190     0.1642125      0.1431368     42.61567 17.65325 39.52814 16.27183 3.087528       24.00853 
1 1 1 14 3  64  o 71.16594 14.10037 0.4980263      0.1336621     0.7337307      0.2312490     0.3797753      0.1637942     69.24212 21.72626 53.16934 18.36010 16.07278       28.44510 
1 1 1 14 3  65  o 37.94696 13.54371 0.1553847      0.8963975E-01 0.1456022      0.1371220     0.1626852      0.1184561     35.30455 15.28294 36.99301 14.96172 -1.688461      21.38741 
1 1 1 14 3  66  o 30.74952 12.39898 0.9592625E-01  0.8108591E-01 0.5582691E-01  0.1123492     0.1395234      0.1171468     28.38999 12.94650 33.67299 14.34278 -5.282995      19.32168 
1 1 1 14 3  67  o 25.73817 11.61320 0.4654251E-01  0.8752271E-01 -0.4082225E-01 0.1536175     0.8853200E-01  0.1064984     25.24592 12.43413 28.81294 12.92154 -3.567026      17.93248 
1 1 1 14 3  68  o 20.86187 9.840078 -0.5345904E-02 0.7382911E-01 0.1832741      0.1315766     -0.9202152E-01 0.8919354E-01 31.75126 14.29076 18.75018 9.279378 13.00107       17.03915 
1 1 1 14 3  69  o 33.94671 14.20136 0.2334336      0.1115185     0.8712550E-01  0.1589554     0.3752480      0.1564952     25.20024 12.45618 35.66634 15.85138 -10.46609      20.15993 
1 1 1 14 3  70  o 31.42900 13.29619 0.2182024      0.9951887E-01 0.1492623      0.1536274     0.2680501      0.1306338     24.44938 12.11384 29.81708 13.73195 -5.367706      18.31151 
1 1 1 14 3  71  o 21.52205 10.26969 0.7855602E-01  0.8508182E-01 0.1387646      0.1186051     0.1472632E-01  0.1221196     22.71882 11.13651 19.62699 9.880990 3.091833       14.88811 
1 1 1 14 3  72  o 22.53020 10.81092 0.1762615      0.9717932E-01 0.1558005      0.1332410     0.1995161      0.1420458     20.05344 10.12372 20.55243 10.38481 -0.4989929     14.50290 
1 1 1 14 3  73  o 18.61748 9.124108 0.1070125      0.7947949E-01 0.1000685      0.1167722     0.1130061      0.1084866     17.30520 8.812795 17.68545 8.952362 -0.3802471     12.56225 
1 1 1 14 3  74  o 13.21980 6.740038 -0.4221625E-01 0.6989789E-01 -0.2040645E-01 0.1055760     -0.5923647E-01 0.9326570E-01 14.28892 7.346525 13.63764 7.009573 0.6512794      10.15409 
1 1 1 14 3  75  o 8.018301 4.124695 -0.1218677     0.3395221E-01 -0.7779881E-01 0.7142898E-01 -0.1347307     0.3859045E-01 11.76332 6.047696 8.419464 4.334443 3.343855       7.440566 
1 1 1 14 3  76  o 11.94792 6.141114 -0.9712721E-02 0.7149570E-01 0.1087709E-01  0.1087607     -0.2538097E-01 0.9487590E-01 12.34615 6.395329 12.01440 6.209145 0.3317490      8.913681 
1 1 1 14 3  77  o 12.11460 6.230661 0.7896526E-01  0.7692432E-01 0.5087154E-01  0.1149130     0.1017765      0.1035474     11.57988 6.012648 11.94902 6.191187 -0.3691378     8.630338 
1 1 1 14 3  78  o 10.24197 5.287041 0.2354695E-02  0.6458212E-01 -0.8979519E-01 0.1008058     0.6650846E-01  0.8411035E-01 9.922376 5.159676 10.75594 5.573258 -0.8335686     7.594963 
1 1 1 14 3  79  o 9.039281 4.693628 -0.2449097E-01 0.7027404E-01 0.9823215E-01  0.1071538     -0.1171114     0.9308885E-01 9.563074 4.976712 8.808989 4.584825 0.7540855      6.766704 
1 1 1 14 3  80  o 8.736300 4.547060 0.1593678      0.9200016E-01 0.2406824      0.1347261     0.8831979E-01  0.1259342     8.600760 4.479165 8.392074 4.370391 0.2086859      6.258053 
1 1 1 14 3  81  o 7.400305 3.853816 0.3564162E-01  0.8030736E-01 0.1091579      0.1195436     -0.2482293E-01 0.1084139     7.453286 3.880311 7.280284 3.790480 0.1730018      5.424440 
1 1 1 14 3  82  f 6.296005 3.278655 -0.3081768E-01 0.7468764E-01 0.3619766E-01  0.1131740     -0.8252193E-01 0.9940834E-01 6.399154 3.328030 6.272151 3.263319 0.1270037      4.661012 
1 1 1 14 3  83  o 5.503416 2.861026 -0.1743174E-01 0.8990468E-01 -0.3823952E-02 0.1247216     -0.3215078E-01 0.1297142     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  84  o ?        ?        0.2696917E-01  0.1040799     0.3473911E-01  0.1595678     0.2121571E-01  0.1373097     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  85  o ?        ?        -0.3502256E-01 0.7541182E-01 -0.4281654E-01 0.1413649     -0.3192236E-01 0.8915736E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  86  o ?        ?        0.3018797E-01  0.8537487E-01 0.2635031E-01  0.1291417     0.3316731E-01  0.1137873     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  87  f ?        ?        0.1170455      0.1087273     0.1357386E-01  0.1754435     0.1815646      0.1385386     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  88  o ?        ?        0.1362803      0.1342752     0.6382056E-01  0.2722503     0.1595720      0.1543548     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 3  89  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  3   o 130.6264 18.96395 1.356397       0.3320603     1.495192       0.4679787     1.215657       0.4712467     128.8611 27.15706 112.5882 29.83369 16.27290       40.34297 
1 1 1 14 4  4   o 201.3223 17.84319 3.156750       0.4908840     3.334970       0.6900423     2.974152       0.6984640     194.8933 26.31411 179.9527 29.10263 14.94067       39.23513 
1 1 1 14 4  5   o 142.5810 14.47274 1.528517       0.2809888     1.694313       0.3425038     1.187216       0.4914147     147.8887 17.08685 109.5602 31.05838 38.32848       35.44831 
1 1 1 14 4  6   o 103.3462 19.32403 0.8604215      0.2656211     1.045256       0.3718908     0.6679307      0.3795151     108.8652 25.23208 84.42290 27.95309 24.44226       37.65678 
1 1 1 14 4  7   o 147.9216 18.30176 1.722074       0.3658426     1.684622       0.5109218     1.761481       0.5240886     135.6169 28.20291 138.6008 28.34040 -2.983871      39.98228 
1 1 1 14 4  8   o 148.5461 14.50973 1.659929       0.2938174     1.946097       0.3575500     1.064831       0.5156091     159.0572 16.52068 101.3368 32.51723 57.72039       36.47332 
1 1 1 14 4  9   o 80.99786 13.55981 0.4956377      0.1462971     0.5559868      0.1649815     0.2735549      0.3164881     85.38157 14.51316 61.92641 24.65834 23.45515       28.61233 
1 1 1 14 4  10  o 107.8506 15.39885 0.8900310      0.2228125     0.8685220      0.2669822     0.9393898      0.4044388     103.7312 19.35135 99.86142 28.12978 3.869797       34.14322 
1 1 1 14 4  11  o 80.66771 16.15285 0.5085067      0.1736481     0.5768559      0.2055841     0.3383347      0.3243898     84.87117 18.09516 65.47689 25.28971 19.39428       31.09669 
1 1 1 14 4  12  o 73.35988 16.61050 0.4252917      0.1643473     0.3947817      0.1943342     0.5019087      0.3079579     69.30920 19.49051 75.21552 25.18893 -5.906319      31.84906 
1 1 1 14 4  13  o 83.29095 16.19390 0.5421243      0.1795388     0.5220597      0.2129111     0.5915073      0.3340187     79.73095 19.50044 80.49044 26.20362 -0.7594910     32.66338 
1 1 1 14 4  14  o 113.2778 12.72017 0.9526683      0.1955254     0.9588701      0.2211496     0.9304618      0.4184711     112.4557 14.58539 98.22227 28.91266 14.23338       32.38326 
1 1 1 14 4  15  o 160.6412 14.57355 1.945733       0.3197476     1.578919       0.3827350     2.793296       0.5817831     139.1029 20.54444 180.8988 23.87427 -41.79585      31.49690 
1 1 1 14 4  16  o 93.99403 15.81725 0.6843255      0.1980006     0.7839971      0.3460706     0.6358210      0.2414181     92.61062 25.99759 87.52077 20.36016 5.089851       33.02137 
1 1 1 14 4  17  o 49.05140 14.68536 0.1845826      0.1072443     0.2003352      0.1491407     0.1677158      0.1543247     51.44311 17.52772 48.70581 17.72000 2.737297       24.92427 
1 1 1 14 4  18  o 86.66164 11.65385 0.5553275      0.1359202     0.6297042      0.1727346     0.4344032      0.2202509     90.99250 14.21262 71.80702 20.92972 19.18548       25.29924 
1 1 1 14 4  19  o 107.4407 11.17600 0.8455100      0.1633768     0.9177399      0.2092385     0.7326897      0.2615029     110.2131 14.07002 93.72536 20.75369 16.48777       25.07351 
1 1 1 14 4  20  o 75.41417 12.19489 0.4253298      0.1226553     0.4851537      0.1567765     0.3309349      0.1969327     79.28217 14.86698 63.42117 20.06935 15.86099       24.97610 
1 1 1 14 4  21  o 54.34570 12.99878 0.2261510      0.9623252E-01 0.2451982      0.1220241     0.1948159      0.1565109     55.93023 15.33964 51.07973 17.92967 4.850502       23.59614 
1 1 1 14 4  22  o 92.81542 11.49068 0.6354418      0.1441191     0.5467082      0.1840277     0.7761749      0.2317594     83.22401 16.59599 98.81400 17.63237 -15.58998      24.21420 
1 1 1 14 4  23  o 104.4133 11.46199 0.8021107      0.1625364     0.9264312      0.2087613     0.6107531      0.2590010     110.7240 13.96494 84.27097 22.01584 26.45300       26.07137 
1 1 1 14 4  24  o 80.43140 12.11449 0.4827288      0.1303712     0.5722200      0.1668788     0.3425640      0.2088480     86.40112 14.50140 64.19824 20.70514 22.20287       25.27832 
1 1 1 14 4  25  o 25.81301 10.47839 0.2292103E-01  0.5833087E-01 0.1334226      0.8008087E-01 -0.1019705     0.8513559E-01 42.16814 12.70481 21.63095 10.30816 20.53719       16.36064 
1 1 1 14 4  26  o 82.04047 15.91300 0.5273065      0.1737631     0.4496051      0.2171520     0.6656259      0.2897283     72.95450 20.63373 86.71948 23.57591 -13.76498      31.33009 
1 1 1 14 4  27  o 109.5135 12.85002 0.8956737      0.1906232     0.9839841      0.2228777     0.6550732      0.3678821     113.6978 14.52855 82.74659 27.52726 30.95119       31.12601 
1 1 1 14 4  28  o 137.4124 12.48344 1.399448       0.2342792     1.312294       0.2723388     1.647540       0.4594841     130.7932 15.37272 136.0996 25.38357 -5.306412      29.67568 
1 1 1 14 4  29  o 122.6789 11.38509 1.104351       0.1906627     1.194031       0.2458822     0.9691125      0.3019479     125.4119 14.46391 107.6420 21.06906 17.76991       25.55602 
1 1 1 14 4  30  o 122.7682 11.37048 1.105759       0.1905652     1.205779       0.2450823     0.9528228      0.3030551     126.1415 14.32473 106.4572 21.35902 19.68436       25.71781 
1 1 1 14 4  31  o 135.2213 12.61463 1.357242       0.2328167     1.609585       0.3254394     1.092715       0.3332029     143.7401 16.70834 113.5587 22.04449 30.18137       27.66095 
1 1 1 14 4  32  o 184.0431 12.33087 2.498617       0.3115536     2.958227       0.4375674     2.026027       0.4437033     195.7229 16.34011 156.5545 21.05948 39.16840       26.65522 
1 1 1 14 4  33  o 71.79681 13.19766 0.3916199      0.1260184     0.1489566      0.1928565     0.5724321      0.1664739     49.11777 19.34617 86.43424 14.45907 -37.31647      24.15242 
1 1 1 14 4  34  o 34.48447 13.65485 0.5740412E-01  0.9655286E-01 0.5527654E-01  0.1300940     0.6001320E-01  0.1440650     37.78414 15.52851 39.45578 16.29225 -1.671642      22.50715 
1 1 1 14 4  35  o 93.56796 12.44895 0.6529241      0.1568495     0.8140042      0.2014601     0.4050036      0.2499333     103.3306 14.52029 68.67631 22.68177 34.65427       26.93143 
1 1 1 14 4  36  o 92.79460 12.62726 0.6437833      0.1575951     0.7911237      0.2028674     0.4195422      0.2502701     101.5837 14.90612 69.72377 22.68114 31.85993       27.14086 
1 1 1 14 4  37  o 54.16645 14.24498 0.2279923      0.1079653     0.7695099E-01  0.1692259     0.3316744      0.1402073     42.72564 17.65133 64.75902 15.81591 -22.03337      23.70047 
1 1 1 14 4  38  o 86.04164 12.72890 0.5559382      0.1466657     0.7858227      0.2312376     0.4012136      0.1897070     99.37429 17.49055 69.61105 19.14074 29.76324       25.92850 
1 1 1 14 4  39  o 56.47977 14.47491 0.2490631      0.1134065     0.2976700      0.1771492     0.2153099      0.1476206     60.38607 19.02668 52.60279 17.43446 7.783283       25.80649 
1 1 1 14 4  40  o 103.5919 16.38907 0.8419975      0.2266322     1.025758       0.2752132     0.4548666      0.3994592     112.9641 18.26727 71.03337 27.88594 41.93068       33.33646 
1 1 1 14 4  41  o 65.83635 18.01563 0.3555633      0.1685352     0.5440446      0.2040845     -0.4859676E-01 0.2988496     81.34853 18.57659 46.42266 21.14861 34.92587       28.14878 
1 1 1 14 4  42  o 65.61076 14.64859 0.3373388      0.1293537     0.4634560      0.1708013     0.1677146      0.1980833     75.96116 16.73569 50.25001 19.66299 25.71115       25.82085 
1 1 1 14 4  43  o 59.58292 16.37987 0.2863362      0.1389441     0.5445977      0.3031082     0.2176312      0.1563371     76.26256 24.96830 52.61592 17.94552 23.64664       30.74830 
1 1 1 14 4  44  o 96.20015 14.65443 0.7180859      0.1885124     1.214186       0.4000612     0.5764940      0.2137277     113.4114 26.08961 82.90120 19.06813 30.51018       32.31503 
1 1 1 14 4  45  o 50.25529 14.79111 0.1996162      0.1095260     0.1044265      0.1762993     0.2594464      0.1397706     44.37487 18.13839 56.42853 16.73589 -12.05366      24.67978 
1 1 1 14 4  46  o 56.40986 14.93485 0.2552615      0.1181609     0.4010113      0.1917903     0.1660929      0.1500128     68.11932 19.43516 47.37294 17.43475 20.74637       26.10931 
1 1 1 14 4  47  o 65.20274 16.01126 0.3484203      0.1431008     0.4420651      0.2875745     0.3176006      0.1649768     67.80903 24.25241 61.07162 18.19833 6.737408       30.32092 
1 1 1 14 4  48  o 116.7689 16.00637 1.100312       0.2512901     1.241577       0.4413711     1.032559       0.3056676     106.3833 29.17256 107.3195 21.37776 -0.9362640     36.16693 
1 1 1 14 4  49  o 64.01656 16.22649 0.3433565      0.1436238     0.2649237      0.2038971     0.4205970      0.2023413     55.25500 20.32764 67.91958 20.13475 -12.66458      28.61156 
1 1 1 14 4  50  o 84.07207 13.49473 0.5587394      0.1513591     0.6420442      0.2380711     0.5022224      0.1960925     83.25852 20.77523 75.05810 18.92463 8.200424       28.10252 
1 1 1 14 4  51  o 42.56068 14.01310 0.1438900      0.9542505E-01 0.9577432E-01  0.1345033     0.1926522      0.1354040     39.63290 15.97326 48.10242 16.68855 -8.469517      23.10092 
1 1 1 14 4  52  o 45.43282 14.23487 0.1696125      0.9931017E-01 0.2082057      0.1392709     0.1296890      0.1416509     49.23497 16.93404 42.37359 16.61484 6.861382       23.72371 
1 1 1 14 4  53  o 15.51300 7.602010 -0.1003558     0.5513891E-01 -0.1539343     0.7675727E-01 -0.4322743E-01 0.7925929E-01 17.59626 8.689753 23.18790 10.68535 -5.591642      13.77274 
1 1 1 14 4  54  o 26.52361 11.25088 0.1813035E-01  0.7156069E-01 -0.6891339E-01 0.1040296     0.9631446E-01  0.9859329E-01 25.38689 11.88125 36.68245 13.99890 -11.29555      18.36119 
1 1 1 14 4  55  o 17.16788 8.220181 -0.6740382E-01 0.5551640E-01 -0.7679983E-01 0.8034582E-01 -0.5881919E-01 0.7679835E-01 21.29810 10.11070 21.66130 10.16017 -0.3632011     14.33371 
1 1 1 14 4  56  o 60.20224 14.32979 0.3172036      0.1174030     0.3246334      0.1648357     0.3095538      0.1672565     56.56964 18.40738 55.04287 18.56268 1.526768       26.14200 
1 1 1 14 4  57  o 37.96588 14.55024 0.1187533      0.1067940     0.1304447      0.1318558     0.9645928E-01  0.1820788     39.59684 15.86571 39.16404 17.26647 0.4328003      23.44892 
1 1 1 14 4  58  o 51.56625 17.22976 0.2796042      0.1440855     0.2663980      0.1939379     0.2958740      0.2152616     47.91056 19.22578 49.05971 20.04681 -1.149151      27.77598 
1 1 1 14 4  59  o 35.92360 14.80188 0.1075899      0.1185814     0.1394967      0.1560783     0.6402613E-01  0.1823744     38.85400 16.55264 35.74698 16.37466 3.107021       23.28346 
1 1 1 14 4  60  f 48.61446 16.08224 0.2591846      0.1256314     0.4597625      0.1957311     0.1186547      0.1638335     57.81747 20.06439 36.72958 16.27630 21.08788       25.83598 
1 1 1 14 4  61  o 47.06848 15.03642 0.2431178      0.1103445     0.1889696      0.1561814     0.2970850      0.1559201     39.15701 16.61616 46.92635 17.67612 -7.769341      24.25988 
1 1 1 14 4  62  o 33.30219 13.24679 0.1123898      0.9125095E-01 0.1806902      0.1287346     0.4341951E-01  0.1293643     37.92906 15.50117 29.53213 13.62378 8.396936       20.63719 
1 1 1 14 4  63  f 27.76667 12.33238 0.5610337E-01  0.9457389E-01 0.3068815E-01  0.1229944     0.9286615E-01  0.1479254     27.60232 12.91835 31.02326 14.40156 -3.420946      19.34655 
1 1 1 14 4  64  o 33.32306 14.17914 0.1566586      0.1142751     0.2834507      0.1626612     0.3309407E-01  0.1605776     37.73318 16.48598 27.60324 13.40320 10.12995       21.24696 
1 1 1 14 4  65  f 29.50744 13.08542 0.1214103      0.1060806     -0.7622524E-01 0.1640924     0.2633094      0.1390419     23.78246 11.89971 36.10162 15.50749 -12.31916      19.54701 
1 1 1 14 4  66  o 28.57984 12.42307 0.1265722      0.9135488E-01 0.1695852      0.1198039     0.6681549E-01  0.1412096     29.45958 13.40900 24.98524 12.22713 4.474344       18.14674 
1 1 1 14 4  67  o 12.74465 6.197143 -0.3666234E-01 0.3465372E-01 -0.1746608     0.5871985E-01 0.3708452E-01  0.4292592E-01 12.09780 6.168841 20.35928 8.677279 -8.261479      10.64659 
1 1 1 14 4  68  o 35.71991 14.60520 0.3658873      0.1143504     0.4908904      0.1747563     0.2722909      0.1512174     29.06381 14.08203 25.31088 12.44081 3.752935       18.79035 
1 1 1 14 4  69  o 24.17063 11.28133 0.1831767      0.9274874E-01 0.1337913      0.1247057     0.2443103      0.1387482     20.47818 10.26495 22.31185 11.12967 -1.833666      15.14063 
1 1 1 14 4  70  f 22.92533 10.99659 0.2431004      0.1003470     0.1684482      0.1347458     0.3360545      0.1503586     18.77428 9.551799 20.68069 10.47640 -1.906406      14.17716 
1 1 1 14 4  71  o 20.65803 10.08040 0.2499855      0.9397101E-01 0.3200090      0.1332007     0.1806011      0.1325915     18.54683 9.441953 16.78737 8.613293 1.759462       12.78043 
1 1 1 14 4  72  o 16.65750 8.386548 0.1754391      0.8804756E-01 0.2076548      0.1265710     0.1452320      0.1225619     15.44548 7.946336 14.93886 7.692282 0.5066185      11.05963 
1 1 1 14 4  73  o 14.56782 7.441976 0.1516345      0.8886513E-01 0.1406641      0.1282975     0.1617514      0.1232057     13.55150 7.017371 13.76817 7.114101 -0.2166653     9.992694 
1 1 1 14 4  74  o 12.62772 6.501842 0.9758519E-01  0.8734792E-01 0.1781160      0.1356991     0.4061289E-01  0.1141373     12.51584 6.499212 11.95820 6.203977 0.5576420      8.984937 
1 1 1 14 4  75  o 11.01330 5.684464 0.3463313E-01  0.7422945E-01 0.9008518E-01  0.1175850     -0.2107328E-02 0.9571174E-01 11.14289 5.791100 10.72431 5.566610 0.4185829      8.032682 
1 1 1 14 4  76  o 10.50026 5.444007 0.1073696      0.8335123E-01 0.2132915E-01  0.1304192     0.1667787      0.1083720     9.911319 5.160376 10.48726 5.452109 -0.5759420     7.506994 
1 1 1 14 4  77  o 9.087328 4.725585 0.7609009E-01  0.8496635E-01 0.1743528      0.1333698     0.8965677E-02  0.1102309     9.098918 4.738688 8.804534 4.584754 0.2943840      6.593567 
1 1 1 14 4  78  o 8.116474 4.225464 0.1157043      0.8544277E-01 0.3091109      0.1355305     -0.1186627E-01 0.1100720     8.161513 4.249571 7.762134 4.042422 0.3993797      5.865154 
1 1 1 14 4  79  o 6.972102 3.629362 0.1453258E-01  0.6116077E-01 -0.2556993E-01 0.9983715E-01 0.3862337E-01  0.7738058E-01 6.898505 3.591474 7.022396 3.657105 -0.1238909     5.125730 
1 1 1 14 4  80  o 6.126008 3.188320 0.3876882E-01  0.8799013E-01 0.1644743E-01  0.1216002     0.6330175E-01  0.1274818     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  81  o ?        ?        0.1901899      0.1149226     0.3022527      0.1766775     0.1080010      0.1513063     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  82  o ?        ?        0.4299228E-01  0.8096896E-01 0.8609787E-02  0.1435834     0.5902410E-01  0.9804530E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  83  o ?        ?        0.3515994E-01  0.7981542E-01 0.1083099      0.1228131     -0.1832628E-01 0.1050168     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  84  o ?        ?        -0.5193843E-01 0.6833535E-01 -0.1126831     0.1076197     -0.1090125E-01 0.8845586E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  85  o ?        ?        -0.2753934E-01 0.9920511E-01 0.2003407      0.2145806     -0.8948743E-01 0.1118797     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  86  o ?        ?        0.1632606      0.1388610     0.1026325      0.2466597     0.1913908      0.1680149     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 4  87  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 5  0   o 33.08372 20.13336 0.8890665E-01  0.1724021     0.000000       0.000000      0.8890665E-01  0.1724021     33.08372 20.13336 33.08372 20.13336 0.000000       0.000000 
1 1 1 14 5  1   o 42.94513 16.16289 0.1178504      0.1303135     0.2369238      0.1830889     -0.4402530E-02 0.1855173     55.36797 19.39476 39.59148 17.44318 15.77649       26.08488 
1 1 1 14 5  2   o 75.43146 19.64597 0.4722358      0.2066572     0.4761328      0.2910585     0.4682739      0.2934713     73.25823 24.48828 72.69672 24.58814 0.5615082      34.70234 
1 1 1 14 5  3   o 80.77857 19.80942 0.5415899      0.2192685     0.3369299      0.3056213     0.7586803      0.3147658     64.57103 24.64569 92.21839 24.35679 -27.64736      34.65059 
1 1 1 14 5  4   o 55.55424 18.19888 0.2432011      0.1610223     0.2341060      0.2205574     0.2535816      0.2356289     56.16947 21.04938 57.92799 21.74721 -1.758518      30.26578 
1 1 1 14 5  5   o 90.99989 19.70466 0.6819650      0.2404271     0.7648231      0.3354777     0.5944673      0.3447420     91.45978 25.56918 79.85368 26.65131 11.60609       36.93339 
1 1 1 14 5  6   o 87.53651 19.78594 0.6333200      0.2335349     0.8581393      0.3240042     0.3902337      0.3369102     98.60102 24.01936 67.92162 25.88797 30.67941       35.31454 
1 1 1 14 5  7   o 43.00508 15.71568 0.1246100      0.1215816     0.2680997      0.1545225     -0.1086001     0.1969949     57.91003 17.69308 36.15169 16.72458 21.75834       24.34660 
1 1 1 14 5  8   o 24.01330 10.94503 -0.4324657E-01 0.8016753E-01 -0.5596827E-01 0.9431855E-01 -0.1013397E-01 0.1521673     25.62566 11.75212 35.90884 15.81028 -10.28318      19.69968 
1 1 1 14 5  9   o 53.09485 18.35198 0.2157898      0.1636685     0.1141663      0.2135906     0.3603308      0.2547303     48.19342 19.86245 65.46429 22.87978 -17.27087      30.29853 
1 1 1 14 5  10  o 50.28120 17.20959 0.1907393      0.1437825     0.2644934      0.1823986     0.6968786E-01  0.2336757     57.63102 19.38498 47.13643 20.17155 10.49460       27.97622 
1 1 1 14 5  11  o 34.90575 14.16427 0.4994780E-01  0.1065435     0.8758002E-01  0.1333942     -0.1635915E-01 0.1770665     40.59143 16.05724 38.15629 16.91410 2.435139       23.32213 
1 1 1 14 5  12  o 68.88364 19.31901 0.3926786      0.1911960     0.3790253      0.2575699     0.4094349      0.2853416     66.74329 23.02496 68.74714 24.20369 -2.003853      33.40609 
1 1 1 14 5  13  o 59.28662 18.17924 0.2832777      0.1629623     0.4555224      0.2145539     0.4841967E-01  0.2505337     73.57331 20.40546 47.25795 20.55755 26.31536       28.96542 
1 1 1 14 5  14  o 138.6453 14.58827 1.458537       0.2750947     1.505234       0.3293790     1.350841       0.5002097     138.0814 17.68129 116.1747 30.71429 21.90675       35.44003 
1 1 1 14 5  15  o 81.19299 19.29385 0.5436826      0.2131171     0.8230075      0.2804665     0.1620445      0.3278326     98.91660 21.17322 56.49186 24.02627 42.42474       32.02448 
1 1 1 14 5  16  o 91.44796 19.98809 0.6930689      0.2453511     0.7891347      0.3285477     0.5719521      0.3689061     93.34984 24.99202 77.83163 27.50776 15.51821       37.16555 
1 1 1 14 5  17  o 102.2051 19.64511 0.8560148      0.2671739     1.192270       0.3641681     0.4640508      0.3931792     117.5240 23.26409 71.96035 27.82874 45.56366       36.27198 
1 1 1 14 5  18  o 77.07706 19.43645 0.4923205      0.2068218     0.7616265      0.2764421     0.1499325      0.3117026     94.65582 21.62398 55.23178 23.45759 39.42404       31.90384 
1 1 1 14 5  19  o 57.41612 18.15662 0.2637143      0.1612050     0.000000       0.000000      0.2637143      0.1612050     ?        ?        57.41612 18.15662 0.000000       18.15662 
1 1 1 14 5  20  o 67.03039 18.79699 0.3692580      0.1810143     0.2458301      0.2701092     0.4698794      0.2438810     58.38634 22.92767 73.72358 22.16222 -15.33723      31.88796 
1 1 1 14 5  21  o 123.8905 10.91483 1.120671       0.1848137     0.9882769      0.2067784     1.646417       0.4120589     114.8098 13.28896 139.8962 22.06231 -25.08640      25.75542 
1 1 1 14 5  22  o 146.2881 12.12753 1.578552       0.2427644     1.390828       0.2803572     2.141130       0.4853364     134.7351 15.34293 158.8541 22.77805 -24.11905      27.46353 
1 1 1 14 5  23  o 87.41584 11.78822 0.5667168      0.1386621     0.5036234      0.1762104     0.6693230      0.2247121     79.78480 16.53773 90.92503 18.52688 -11.14023      24.83429 
1 1 1 14 5  24  o 121.9505 11.10766 1.087793       0.1849933     1.170685       0.2366751     0.9576203      0.2965882     124.5609 14.00318 107.3353 20.76202 17.22560       25.04297 
1 1 1 14 5  25  o 51.01675 13.18082 0.1998562      0.9351402E-01 0.2911351      0.1183294     0.4801517E-01  0.1526166     61.27289 14.25428 39.44707 16.56461 21.82582       21.85339 
1 1 1 14 5  26  f 122.6789 11.20802 1.101716       0.1877642     1.133934       0.2409991     1.051952       0.2995170     122.1634 14.57457 113.4459 19.84294 8.717468       24.62032 
1 1 1 14 5  27  o 57.12622 12.95204 0.2496114      0.9981227E-01 0.2445015      0.1270534     0.2578487      0.1613146     55.72726 15.79053 56.89706 18.18095 -1.169800      24.08087 
1 1 1 14 5  28  o 41.22023 12.98188 0.1259729      0.8247735E-01 0.6082815E-01  0.1037181     0.2380222      0.1360252     35.55937 14.12966 54.93014 16.56009 -19.37077      21.76888 
1 1 1 14 5  29  o 113.3703 11.41241 0.9442990      0.1762262     1.020808       0.2249222     0.8226646      0.2835981     115.9690 14.35250 98.67926 21.42723 17.28973       25.78993 
1 1 1 14 5  30  o 71.91595 12.91036 0.3917013      0.1234925     0.4845152      0.1571267     0.2417342      0.1997292     79.08875 14.93533 56.03042 20.19335 23.05833       25.11644 
1 1 1 14 5  31  o 99.93608 10.71664 0.7306532      0.1455756     0.8828313      0.2036217     0.5715476      0.2082049     107.9393 13.99091 83.77243 18.49385 24.16685       23.18983 
1 1 1 14 5  32  o 47.55024 14.45395 0.1734342      0.1033135     0.2446738      0.1311988     0.5715691E-01  0.1676164     55.59403 16.13912 41.28745 17.34963 14.30658       23.69559 
1 1 1 14 5  33  o 47.68219 13.95141 0.1748857      0.9769802E-01 0.2060713      0.1234128     0.1225339      0.1599004     51.38428 15.83088 45.12934 17.66449 6.254932       23.72026 
1 1 1 14 5  34  o 39.52358 13.94534 0.1082155      0.9477381E-01 0.1658180      0.1029412     -0.2121879     0.2427822     46.57091 14.47668 36.93368 17.54555 9.637226       22.74688 
1 1 1 14 5  35  o 62.53294 14.15373 0.3045286      0.1193648     0.2904697      0.1481373     0.3305541      0.2015527     59.93545 17.07401 62.80207 20.34923 -2.866619      26.56338 
1 1 1 14 5  36  o 67.66218 15.81369 0.3647150      0.1450917     0.3352886      0.2033801     0.3952131      0.2070505     63.05095 20.44246 68.04189 20.41267 -4.990948      28.88895 
1 1 1 14 5  37  o 132.6059 13.30380 1.327456       0.2403151     1.166983       0.3391348     1.489302       0.3405837     116.3475 21.91343 135.1912 18.74950 -18.84374      28.83994 
1 1 1 14 5  38  o 71.08063 15.71227 0.4034539      0.1501142     0.5040143      0.2142629     0.3065076      0.2103774     76.67316 20.02115 60.32115 20.80901 16.35202       28.87665 
1 1 1 14 5  39  o 184.4497 11.43263 2.515560       0.2897455     2.473695       0.3727695     2.579459       0.4605293     178.3714 15.28239 176.7059 19.18225 1.665482       24.52571 
1 1 1 14 5  40  o 94.91085 12.67883 0.6843253      0.1620084     0.6631100      0.2080373     0.7170170      0.2582473     90.01192 17.36722 90.36738 21.08200 -0.3554611     27.31430 
1 1 1 14 5  41  o 91.41305 11.47494 0.6274297      0.1416509     0.5039992      0.1995215     0.7528675      0.2011374     76.65746 18.95574 97.26051 15.49681 -20.60304      24.48410 
1 1 1 14 5  42  o 63.74903 14.43188 0.3251035      0.1240814     0.3049683      0.1585775     0.3568968      0.1992653     59.92135 17.83878 63.39056 20.20152 -3.469215      26.95039 
1 1 1 14 5  43  o 45.88029 15.57872 0.1656771      0.1178134     0.2482798      0.1632524     0.7590392E-01  0.1701907     54.15735 18.33877 41.38900 17.44202 12.76836       25.30879 
1 1 1 14 5  44  o 23.26327 10.85519 -0.6569590E-01 0.8579161E-01 -0.1239130     0.1025620     0.6995553E-01  0.1565572     23.18667 11.12072 39.80698 16.74960 -16.62031      20.10521 
1 1 1 14 5  45  o 75.32674 15.51385 0.4689175      0.1559911     0.4333467      0.1790632     0.5808850      0.3176913     70.00800 18.31355 72.82084 25.54572 -2.812836      31.43199 
1 1 1 14 5  46  o 72.75219 15.53068 0.4421783      0.1512701     0.4950829      0.2103992     0.3855692      0.2176410     72.56204 20.23613 63.03176 21.17521 9.530285       29.28977 
1 1 1 14 5  47  o 120.6354 12.00872 1.128424       0.1973779     1.316520       0.3057163     0.9939786      0.2584647     121.5247 18.82763 106.0668 18.30927 15.45782       26.26231 
1 1 1 14 5  48  o 129.8112 11.95203 1.314828       0.2118295     1.222121       0.3264355     1.382262       0.2784083     111.3356 22.01375 127.3475 16.19932 -16.01195      27.33173 
1 1 1 14 5  49  o 50.19484 14.80744 0.2168786      0.1096561     0.2042593      0.1620786     0.2275307      0.1489111     48.00234 18.03345 50.08017 17.49397 -2.077835      25.12458 
1 1 1 14 5  50  o 47.64749 15.09912 0.1991009      0.1114389     0.1226012      0.1653759     0.2627301      0.1508242     41.65478 17.34858 52.69506 17.62796 -11.04028      24.73294 
1 1 1 14 5  51  o 35.64689 14.03415 0.8957388E-01  0.1014464     0.2005364      0.1293184     -0.8797275E-01 0.1635793     46.77343 16.30458 30.78075 14.55780 15.99267       21.85792 
1 1 1 14 5  52  o 39.19844 15.13110 0.1267126      0.1160707     0.1000685      0.1507252     0.1655373      0.1819444     38.43755 16.31780 43.40025 18.14643 -4.962700      24.40417 
1 1 1 14 5  53  o 48.70246 14.88367 0.2217792      0.1093385     0.3154563      0.1674438     0.1521444      0.1443661     53.76773 18.56370 41.15769 16.56234 12.61004       24.87815 
1 1 1 14 5  54  o 30.54575 12.59099 0.5744717E-01  0.8584514E-01 -0.1244530E-01 0.1292905     0.1125541      0.1148033     29.65070 13.65749 36.77736 14.78013 -7.126667      20.12409 
1 1 1 14 5  55  o 39.14475 14.50442 0.1470043      0.1041429     0.1841868      0.1600161     0.1196814      0.1371699     41.39859 17.13863 37.00278 15.62968 4.395817       23.19525 
1 1 1 14 5  56  o 36.11723 14.12957 0.1246485      0.1022660     0.8646304E-01  0.1562082     0.1532911      0.1352889     34.54658 15.55789 38.26741 15.79380 -3.720833      22.16962 
1 1 1 14 5  57  o 28.89609 12.40689 0.5471940E-01  0.8892964E-01 0.7102830E-01  0.1321059     0.4120459E-01  0.1202583     31.92486 14.34881 29.77821 13.50779 2.146650       19.70657 
1 1 1 14 5  58  o 34.71180 13.95804 0.1311839      0.1024516     0.5603867E-01  0.1520685     0.1936417      0.1386380     30.81131 14.40241 38.25623 15.90462 -7.444923      21.45662 
1 1 1 14 5  59  o 38.60486 15.18133 0.2035025      0.1185822     0.3416256      0.1635424     0.5038110E-01  0.1721929     44.22324 17.68717 29.83735 14.33670 14.38589       22.76790 
1 1 1 14 5  60  o 34.17579 14.37384 0.1682828      0.1152127     0.1305658      0.1603776     0.2085056      0.1656196     30.88114 14.54672 33.93077 15.56538 -3.049631      21.30465 
1 1 1 14 5  61  o 17.62797 8.498907 -0.4360489E-01 0.6173626E-01 -0.1973751     0.1061855     0.3491537E-01  0.7587871E-01 17.86568 9.021443 23.66348 10.73238 -5.797796      14.02036 
1 1 1 14 5  62  o 25.19237 11.67651 0.7199485E-01  0.9668775E-01 -0.5073602E-01 0.1652041     0.1359360      0.1192433     23.02911 11.58058 28.07666 12.99704 -5.047552      17.40784 
1 1 1 14 5  63  o 22.72481 10.77106 0.5228681E-01  0.9048587E-01 0.5887314E-01  0.1353589     0.4696560E-01  0.1216662     23.30540 11.51487 22.87240 11.22537 0.4330025      16.08108 
1 1 1 14 5  64  o 23.74554 11.19136 0.1122522      0.9515364E-01 0.2837192      0.1343840     -0.6015503E-01 0.1347519     28.10236 13.26151 19.27819 9.782108 8.824165       16.47899 
1 1 1 14 5  65  f 19.68677 9.660137 0.5697846E-01  0.8997117E-01 0.2823366E-01  0.1490481     0.7345686E-01  0.1128507     19.19675 9.792251 20.00426 9.987975 -0.8075104     13.98742 
1 1 1 14 5  66  o 18.19691 9.203149 0.7259997E-01  0.1131162     0.9500393E-01  0.1682959     0.5413911E-01  0.1527696     18.12769 9.317517 17.78772 9.134031 0.3399754      13.04786 
1 1 1 14 5  67  o 17.02802 8.633399 0.9604097E-01  0.1035554     0.1531798      0.1346978     0.1345877E-01  0.1619340     17.25102 8.839505 15.87553 8.201466 1.375496       12.05823 
1 1 1 14 5  68  o 13.62766 6.948534 -0.1621761E-01 0.7441146E-01 -0.2785190E-01 0.1127976     -0.7253274E-02 0.9901229E-01 14.02297 7.228198 14.11045 7.250978 -0.8748436E-01 10.23834 
1 1 1 14 5  69  o 13.43618 6.893239 0.3433554E-01  0.8471648E-01 0.7361204E-01  0.1311727     0.6229869E-02  0.1109619     13.61364 7.051043 13.16615 6.801365 0.4474821      9.796722 
1 1 1 14 5  70  o 11.54332 5.949903 -0.4893721E-01 0.7635476E-01 -0.5302026E-01 0.1233652     -0.4640184E-01 0.9721222E-01 12.03872 6.250538 11.87063 6.145769 0.1680899      8.765826 
1 1 1 14 5  71  o 10.64669 5.490254 -0.4751602E-01 0.6631994E-01 -0.1668633     0.1079731     0.2478961E-01  0.8404184E-01 10.58887 5.503826 11.56716 5.973393 -0.9782915     8.122410 
1 1 1 14 5  72  o 10.44203 5.417411 -0.5392476E-03 0.8706879E-01 -0.6151097E-01 0.1393131     0.3854237E-01  0.1115358     10.35694 5.391778 10.64685 5.534958 -0.2899103     7.727032 
1 1 1 14 5  73  o 9.682609 5.032123 0.3902738E-01  0.8866386E-01 -0.1286906     0.1419486     0.1463244      0.1135364     9.302071 4.844687 9.976122 5.191023 -0.6740513     7.100543 
1 1 1 14 5  74  f 8.827346 4.596004 0.1088203      0.1047294     -0.4542232E-01 0.1661391     0.2105261      0.1349095     8.519388 4.434518 8.891665 4.630566 -0.3722773     6.411481 
1 1 1 14 5  75  o 7.584104 3.949553 0.1844219E-02  0.8442979E-01 -0.2061964     0.1318614     0.1463991      0.1099158     7.378747 3.839640 7.832856 4.079164 -0.4541092     5.602001 
1 1 1 14 5  76  o 6.802288 3.540477 0.2798087E-01  0.1079494     0.8697984E-01  0.1407596     -0.5627193E-01 0.1682085     6.835616 3.553078 ?        ?        0.000000       3.553078 
1 1 1 14 5  77  o ?        ?        0.7157236E-01  0.1207599     0.5095834E-01  0.1604863     0.9847794E-01  0.1833487     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  78  o ?        ?        0.1176515      0.9898009E-01 0.1904793      0.1366829     0.3734912E-01  0.1435257     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  79  o ?        ?        0.1097124E-01  0.7410797E-01 -0.2841409E-01 0.9812178E-01 0.6327046E-01  0.1130696     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  80  o ?        ?        0.8166378E-01  0.8111856E-01 0.1184616      0.1237972     0.5397671E-01  0.1073837     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  81  o ?        ?        0.1816967E-01  0.8245859E-01 0.9716343E-01  0.1226327     -0.4701876E-01 0.1114026     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  82  o ?        ?        -0.2816347E-01 0.7790612E-01 0.9267262E-01  0.1384190     -0.8418884E-01 0.9425184E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  83  o ?        ?        0.3952737E-01  0.1074132     0.3844681E-01  0.2295880     0.3983017E-01  0.1215347     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 5  84  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 6  0   o 167.0919 28.89131 2.373609       0.6068250     0.000000       0.000000      2.373609       0.6068250     167.0919 28.89131 167.0919 28.89131 0.000000       0.000000 
1 1 1 14 6  1   o 114.2823 19.33074 1.059010       0.2941678     1.215281       0.4184030     0.9062551      0.4136697     114.8593 26.86054 96.23121 28.84907 18.62811       39.41772 
1 1 1 14 6  2   o 85.03000 20.18150 0.6026354      0.2334009     0.8637658      0.3296171     0.3400370      0.3305422     98.58321 24.35604 65.12249 25.42309 33.46072       35.20725 
1 1 1 14 6  3   o 77.38028 19.89724 0.4989357      0.2137882     0.5612289      0.2953410     0.4303645      0.3098661     79.01042 24.51437 70.08398 25.16330 8.926445       35.13041 
1 1 1 14 6  4   o 85.46096 20.40083 0.6107485      0.2374080     0.4551132      0.3296971     0.7783527      0.3421398     71.53642 25.91945 91.96863 25.86085 -20.43221      36.61422 
1 1 1 14 6  5   o 124.9507 19.19270 1.260026       0.3205508     1.363212       0.4502926     1.154011       0.4564241     121.1168 27.54671 108.3364 29.64838 12.78041       40.47033 
1 1 1 14 6  6   o 77.47224 20.07676 0.5015079      0.2165279     0.7933593      0.3022402     0.1937755      0.3103544     95.41266 23.17164 57.25259 23.79880 38.16006       33.21608 
1 1 1 14 6  7   o 75.01871 19.94704 0.4696783      0.2101971     0.4434999      0.2870586     0.4999411      0.3086405     71.05126 24.31661 74.51956 25.21555 -3.468300      35.03030 
1 1 1 14 6  8   o 101.5075 15.85349 0.7989826      0.2149436     0.9700274      0.2608282     0.4369960      0.3794424     110.6329 17.66833 70.69360 27.33844 39.93933       32.55089 
1 1 1 14 6  9   o 75.33545 24.95625 0.5104878      0.3024884     0.5104878      0.3024884     0.000000       0.000000      75.33545 24.95625 ?        ?        0.000000       24.95625 
1 1 1 14 6  10  o 31.59692 13.85649 -0.1009433E-01 0.1158630     -0.1009433E-01 0.1158630     0.000000       0.000000      31.59692 13.85649 ?        ?        0.000000       13.85649 
1 1 1 14 6  11  f 45.39650 18.45273 0.1035787      0.1811848     0.1035787      0.1811848     0.000000       0.000000      45.39650 18.45273 ?        ?        0.000000       18.45273 
1 1 1 14 6  12  o 60.16698 18.61212 0.2929350      0.1703890     0.2929350      0.1703890     0.000000       0.000000      60.16698 18.61212 ?        ?        0.000000       18.61212 
1 1 1 14 6  13  o 42.17051 16.02383 0.1104302      0.1288295     0.1104302      0.1288295     0.000000       0.000000      42.17051 16.02383 ?        ?        0.000000       16.02383 
1 1 1 14 6  14  o 55.96204 16.66347 0.2479348      0.1383596     0.2952856      0.1629288     0.1254815      0.2620113     60.45660 18.10093 51.63878 21.69512 8.817818       28.25459 
1 1 1 14 6  15  o 59.72915 19.86515 0.2886435      0.1915915     0.3945647      0.2641535     0.1710714      0.2783026     67.80978 23.32167 54.72010 22.62377 13.08968       32.49208 
1 1 1 14 6  16  o 61.43471 17.22466 0.3032937      0.1520125     0.3752058      0.1812573     0.1327975      0.2790949     67.58530 18.75919 52.87683 22.31241 14.70847       29.15048 
1 1 1 14 6  17  o 40.18021 14.62641 0.1071696      0.1051649     0.1875958      0.1207089     -0.1461739     0.2142375     49.42839 15.72003 36.46928 17.06229 12.95910       23.20003 
1 1 1 14 6  18  o 73.15051 21.17111 0.4561872      0.2260741     0.3249544      0.3109054     0.6034287      0.3293231     63.81068 24.72700 80.62666 25.99967 -16.81597      35.88046 
1 1 1 14 6  19  o 45.84574 17.85695 0.1285524      0.1627886     0.1129374      0.2236843     0.1461351      0.2373596     48.66782 20.21512 51.29490 21.01576 -2.627075      29.16013 
1 1 1 14 6  20  o 45.47927 16.01842 0.1488912      0.1249926     0.1608889      0.1468083     0.1172795      0.2383007     47.58509 17.28754 49.74728 20.78106 -2.162186      27.03168 
1 1 1 14 6  21  o 58.18922 14.97071 0.2658303      0.1209809     0.3214459      0.1372716     0.7234656E-01  0.2560384     63.72837 15.70154 48.58257 20.95732 15.14580       26.18678 
1 1 1 14 6  22  f 51.75592 18.53164 0.2007084      0.1679514     0.9817866E-01  0.2289051     0.3202676      0.2471851     48.09775 20.24650 62.34137 22.46494 -14.24362      30.24226 
1 1 1 14 6  23  o 55.48921 16.85535 0.2451638      0.1405305     0.3632985      0.1661771     -0.5143078E-01 0.2633081     66.76938 17.72733 43.90858 19.94443 22.86080       26.68405 
1 1 1 14 6  24  o 98.73316 16.31950 0.7665539      0.2147156     1.085299       0.2556984     0.4318630E-02  0.3954126     117.9291 16.12500 53.61598 24.38729 64.31317       29.23620 
1 1 1 14 6  25  o 49.91634 16.49202 0.1922556      0.1321305     0.3024458      0.1526941     -0.1361973     0.2636255     61.04696 17.31518 40.94157 19.07894 20.10539       25.76474 
1 1 1 14 6  26  o 59.65836 16.96780 0.2878874      0.1464211     0.4112378      0.1702397     -0.6273339E-01 0.2870182     71.03248 17.47630 45.02578 20.59455 26.00669       27.01030 
1 1 1 14 6  27  o 51.44859 16.68560 0.2079745      0.1354883     0.3524639      0.1575499     -0.2023039     0.2654847     65.76923 17.16543 38.99134 18.47195 26.77788       25.21636 
1 1 1 14 6  28  o 37.01491 13.65526 0.8851867E-01  0.9210514E-01 -0.2097461E-01 0.1307532     0.1963635      0.1297651     32.58344 14.48481 50.12322 16.33331 -17.53978      21.83087 
1 1 1 14 6  29  o 119.1402 11.43491 1.051463       0.1858064     1.203575       0.2380835     0.8144792      0.2971722     125.5092 13.97506 95.47677 22.84646 30.03239       26.78177 
1 1 1 14 6  30  o 112.2870 11.60559 0.9383204      0.1773467     0.8518509      0.2264354     1.075529       0.2852352     103.4028 16.40682 114.2060 18.73741 -10.80323      24.90530 
1 1 1 14 6  31  o 112.2215 11.64019 0.9392727      0.1777503     0.9354606      0.2257521     0.9454913      0.2883304     109.0929 15.41584 104.9100 20.63900 4.182884       25.76076 
1 1 1 14 6  32  o 177.4678 12.49414 2.369109       0.3042171     1.858260       0.3492196     3.976865       0.6195301     152.0487 16.92026 214.7261 21.17035 -62.67740      27.10127 
1 1 1 14 6  33  o 114.1905 11.63477 0.9774336      0.1808907     0.7409170      0.2321956     1.342603       0.2885163     93.81947 18.58075 129.1254 16.56340 -35.30595      24.89158 
1 1 1 14 6  34  o 79.73592 14.29932 0.5018097      0.1516532     0.4747684      0.1768488     0.5769488      0.2947962     75.32679 17.35909 76.34409 24.59695 -1.017303      30.10561 
1 1 1 14 6  35  o 92.30609 13.88806 0.6679693      0.1715314     0.5922567      0.1993913     0.8835410      0.3364482     83.71139 17.79776 93.80071 25.36605 -10.08932      30.98704 
1 1 1 14 6  36  o 63.27907 15.33881 0.3293688      0.1326313     0.3154476      0.1550169     0.3673997      0.2562179     60.57780 17.53067 62.19158 22.80093 -1.613773      28.76120 
1 1 1 14 6  37  o 91.92261 13.94869 0.6695102      0.1714893     0.6270532      0.1992498     0.7908292      0.3368121     85.96321 17.38342 85.82414 26.09981 0.1390686      31.35894 
1 1 1 14 6  38  o 75.93167 14.97706 0.4719682      0.1514528     0.2875597      0.2134793     0.6588411      0.2149010     56.21617 20.77910 86.64337 18.52367 -30.42720      27.83697 
1 1 1 14 6  39  o 101.5003 16.29043 0.8630784      0.2205941     0.6879163      0.2708631     1.208096       0.3801464     82.70528 22.92342 106.2528 26.09928 -23.54747      34.73695 
1 1 1 14 6  40  o 80.26862 14.61676 0.5294324      0.1560387     0.4273167      0.1799272     0.8392267      0.3133915     68.38676 18.57356 88.38222 24.71472 -19.99545      30.91593 
1 1 1 14 6  41  o 105.6185 13.70932 0.9013894      0.1952215     0.7731214      0.2246697     1.296736       0.3944343     92.89298 18.16642 106.5193 26.83082 -13.62628      32.40234 
1 1 1 14 6  42  o 34.56852 13.22844 0.8073921E-01  0.8819019E-01 0.8392259E-01  0.1064661     0.7377961E-01  0.1574194     36.13344 14.32892 38.79306 16.57748 -2.659622      21.91189 
1 1 1 14 6  43  o 33.43900 12.29999 0.8006907E-01  0.7464895E-01 0.1553470      0.8784252E-01 -0.1155999     0.1416224     43.22619 13.36242 27.98527 13.32493 15.24092       18.87082 
1 1 1 14 6  44  o 22.78538 9.705396 0.9581503E-02  0.5364130E-01 0.7044663E-01  0.5827225E-01 -0.3283391     0.1373045     31.00775 10.93554 21.45535 10.75704 9.552393       15.33949 
1 1 1 14 6  45  o 44.83432 16.03095 0.1812247      0.1256409     0.2046145      0.1482419     0.1215765      0.2367316     46.70581 17.30519 43.28218 19.34795 3.423634       25.95791 
1 1 1 14 6  46  o 46.88495 16.43228 0.2099492      0.1314369     0.2066027      0.1550293     0.2185034      0.2478611     46.06935 17.56050 46.71463 20.38191 -0.6452827     26.90341 
1 1 1 14 6  47  o 75.15522 16.19862 0.5342188      0.1631497     0.3820989      0.1861245     1.038809       0.3389845     57.89399 19.58144 83.99920 26.29636 -26.10521      32.78615 
1 1 1 14 6  48  o 38.17758 14.47686 0.1291093      0.1050197     0.1476981      0.1183952     0.6050227E-01  0.2274533     39.95962 15.31880 38.10362 17.74484 1.855999       23.44238 
1 1 1 14 6  49  o 106.3457 15.24095 1.078004       0.2174061     0.8957821      0.2488798     1.664877       0.4466434     85.69682 21.15890 87.75890 30.31759 -2.062080      36.97100 
1 1 1 14 6  50  o 38.94734 14.80811 0.1520483      0.1100646     0.1604509      0.1242372     0.1213944      0.2372938     39.40065 15.52480 38.10535 17.86880 1.295296       23.67095 
1 1 1 14 6  51  o 46.43310 15.01877 0.2338872      0.1098263     0.2117159      0.1403925     0.2688529      0.1763070     41.74008 16.48529 43.80753 18.04926 -2.067451      24.44464 
1 1 1 14 6  52  o 30.28277 12.48486 0.7739549E-01  0.8442311E-01 0.6272274E-01  0.1106387     0.9784593E-01  0.1306178     30.15556 13.36867 32.87159 14.55148 -2.716022      19.76023 
1 1 1 14 6  53  o 38.77411 14.15896 0.1767149      0.9866155E-01 0.1219783      0.1322625     0.2453826      0.1481406     33.09214 14.64628 40.39347 16.58221 -7.301327      22.12426 
1 1 1 14 6  54  o 21.06265 9.806550 -0.1298444E-01 0.6940177E-01 0.9060132E-02  0.8479614E-01 -0.5771482E-01 0.1207887     23.89850 11.02669 23.74062 11.54999 0.1578789      15.96841 
1 1 1 14 6  55  o 31.68362 13.65728 0.1356290      0.1085684     0.1868741      0.1449164     0.7007097E-01  0.1639097     33.21018 14.96783 28.40551 13.73268 4.804670       20.31311 
1 1 1 14 6  56  o 32.65979 14.34007 0.1880316      0.1244252     0.2615808E-01  0.2186974     0.2655063      0.1512989     26.69486 13.41032 34.84305 15.52934 -8.148191      20.51821 
1 1 1 14 6  57  o 18.28387 8.927926 -0.4721253E-01 0.7406470E-01 -0.1929952E-01 0.1110579     -0.6957133E-01 0.9939630E-01 21.81257 10.70919 19.63063 9.729464 2.181942       14.46890 
1 1 1 14 6  58  o 26.41732 12.21314 0.1302015      0.1047943     0.2296427      0.1556520     0.4775599E-01  0.1417278     27.74325 13.40522 23.10585 11.48022 4.637400       17.64923 
1 1 1 14 6  59  o 27.25975 12.48826 0.1911591      0.1061170     0.2093741      0.1595542     0.1767110      0.1421017     24.51037 12.17854 24.35535 11.98843 0.1550179      17.08916 
1 1 1 14 6  60  o 16.89503 8.344783 -0.1636494E-01 0.7088146E-01 -0.5271028E-01 0.1022434     0.1726697E-01  0.9835280E-01 17.34465 8.769459 18.84313 9.394776 -1.498480      12.85166 
1 1 1 14 6  61  o 18.03244 9.131455 0.4606779E-01  0.1135551     -0.1592771     0.2233844     0.1176207      0.1318635     17.09269 8.863164 19.10002 9.690160 -2.007332      13.13221 
1 1 1 14 6  62  o 16.91521 8.654276 0.7222963E-01  0.1243892     0.1892241      0.2226736     0.1916104E-01  0.1499702     17.13395 8.883697 16.34314 8.419959 0.7908096      12.23993 
1 1 1 14 6  63  o 12.23883 6.226801 -0.6493624E-01 0.5727091E-01 -0.1157945E-01 0.7760721E-01 -0.1287397     0.8486517E-01 14.21614 7.234336 12.69206 6.528492 1.524083       9.744579 
1 1 1 14 6  64  o 12.02257 6.149409 -0.5534144E-01 0.6241806E-01 -0.1340547     0.8637708E-01 0.3068077E-01  0.9029836E-01 11.94014 6.161592 13.91311 7.136447 -1.972969      9.428367 
1 1 1 14 6  65  o 14.04823 7.244867 0.1706424      0.1158235     0.5849868E-01  0.1731465     0.2614634      0.1558187     13.02467 6.772748 13.93261 7.228909 -0.9079351     9.905920 
1 1 1 14 6  66  o 13.35098 6.901919 0.2457867      0.1191765     0.4970317      0.1803576     0.5106435E-01  0.1587792     13.25153 6.890975 12.06998 6.279019 1.181545       9.322640 
1 1 1 14 6  67  o 10.84887 5.605440 -0.1269904E-01 0.7629468E-01 -0.1862265E-01 0.1154849     -0.8111345E-02 0.1016317     10.98841 5.711220 11.00013 5.710409 -0.1172638E-01 8.076311 
1 1 1 14 6  68  o 10.18819 5.288404 0.5575359E-02  0.8648489E-01 0.5512492E-01  0.1324798     -0.3122368E-01 0.1141689     10.35977 5.392162 10.08729 5.248389 0.2724791      7.524693 
1 1 1 14 6  69  o 9.478307 4.928508 0.5392974E-01  0.9124126E-01 0.1088545      0.1330203     0.5127790E-02  0.1253870     9.499870 4.947015 9.285889 4.835360 0.2139816      6.917634 
1 1 1 14 6  70  o 8.512984 4.433519 0.7859731E-01  0.1184186     0.2792246E-01  0.1497437     0.1631919      0.1934744     8.407084 4.377115 8.497083 4.419881 -0.8999920E-01 6.220489 
1 1 1 14 6  71  o 7.399986 3.853585 -0.3606300E-01 0.8378299E-01 0.6060498E-02  0.9973114E-01 -0.1370943     0.1544531     7.511180 3.911667 7.408662 3.852561 0.1025181      5.490297 
1 1 1 14 6  72  o 6.716137 3.496943 0.1332796E-01  0.9291297E-01 0.3891181E-01  0.1150994     -0.3452859E-01 0.1574204     6.739698 3.506581 ?        ?        0.000000       3.506581 
1 1 1 14 6  73  o 5.522869 2.876303 -0.1285590     0.5354289E-01 -0.1562849     0.7330951E-01 -0.9685914E-01 0.7838747E-01 5.650088 2.940907 5.759639 2.997633 -0.1095514     4.199373 
1 1 1 14 6  74  o ?        ?        0.1347055      0.1053751     0.1077212      0.1585992     0.1560318      0.1409950     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  75  o ?        ?        0.8370941E-01  0.1050180     -0.2900778E-02 0.1807873     0.1278189      0.1290178     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  76  o ?        ?        0.8286923E-01  0.1075224     -0.8870992E-01 0.1844885     0.1711291      0.1323179     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  77  o ?        ?        -0.9706200E-03 0.8029144E-01 -0.1088190     0.1126711     0.1103069      0.1144483     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  78  o ?        ?        0.7832382E-01  0.1271818     -0.1386266     0.2069663     0.2099531      0.1612114     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  79  o ?        ?        -0.6053350E-01 0.4407043E-01 0.000000       0.000000      -0.6053350E-01 0.4407043E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 6  80  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 7  0   o 93.86659 34.29138 0.9541038      0.4097231     0.000000       0.000000      0.9541038      0.4097231     93.86659 34.29138 93.86659 34.29138 0.000000       0.000000 
1 1 1 14 7  1   o 45.50983 17.35338 0.1365427      0.1514274     0.2052087      0.2246088     0.7932629E-01  0.2050293     53.77141 20.96662 45.21835 19.10471 8.553055       28.36528 
1 1 1 14 7  2   o 54.34995 18.94708 0.2328829      0.1746344     0.1437325      0.2494719     0.3185450      0.2445424     51.31675 21.33476 61.73301 22.32949 -10.41626      30.88330 
1 1 1 14 7  3   o 93.40485 20.65703 0.7415218      0.2593550     0.6893874      0.3671553     0.7934455      0.3664127     83.49342 27.48689 90.06436 27.18539 -6.570938      38.65973 
1 1 1 14 7  4   o 85.87307 20.46172 0.6281072      0.2391764     0.6756335      0.3337890     0.5779546      0.3428873     84.01915 26.06005 77.42722 26.57430 6.591934       37.21988 
1 1 1 14 7  5   o 96.50997 20.55551 0.7894102      0.2655380     0.8738623      0.3759292     0.7053183      0.3751269     94.55487 27.28165 84.05202 27.78913 10.50285       38.94257 
1 1 1 14 7  6   o 69.32652 20.36343 0.4116968      0.2077789     0.6540213      0.2966693     0.1783891      0.2910974     84.32116 24.20856 54.86449 22.94759 29.45667       33.35635 
1 1 1 14 7  7   o 59.48470 19.58159 0.2930292      0.1863362     0.4285083      0.2616659     0.1536428      0.2654124     69.24281 23.21854 52.49628 21.93056 16.74653       31.93822 
1 1 1 14 7  8   o 60.08604 19.33304 0.3000785      0.1821669     0.2536336      0.2468504     0.3556188      0.2699413     57.35477 22.08676 64.16272 23.42176 -6.807953      32.19323 
1 1 1 14 7  9   o 40.13209 17.16726 0.4094191E-01  0.1691317     0.000000       0.000000      0.4094191E-01  0.1691317     ?        ?        40.13209 17.16726 0.000000       17.16726 
1 1 1 14 7  10  o 66.64368 24.11707 0.3966134      0.2853118     0.000000       0.000000      0.3966134      0.2853118     ?        ?        66.64368 24.11707 0.000000       24.11707 
1 1 1 14 7  11  o 77.27021 25.98446 0.5770279      0.3277304     0.000000       0.000000      0.5770279      0.3277304     ?        ?        77.27021 25.98446 0.000000       25.98446 
1 1 1 14 7  12  o 77.71441 20.04115 0.5178477      0.2164555     0.7906165      0.3011317     0.2262477      0.3113529     93.39214 23.39933 57.50109 23.86415 35.89105       33.42195 
1 1 1 14 7  13  o 53.06104 20.90688 0.2001723      0.2253042     0.000000       0.000000      0.2001723      0.2253042     ?        ?        53.06104 20.90688 0.000000       20.90688 
1 1 1 14 7  14  o 47.52644 17.55354 0.1639676      0.1522876     0.2752451      0.2179273     0.5776967E-01  0.2128953     57.85623 21.05602 44.28052 19.10587 13.57571       28.43220 
1 1 1 14 7  15  o 20.68105 9.835595 -0.8785307E-01 0.7670662E-01 -0.2132964     0.1148876     0.1304506E-01  0.1030365     22.12108 10.86705 31.23886 13.38214 -9.117779      17.23875 
1 1 1 14 7  16  o 60.97175 17.24258 0.3072155      0.1516491     0.3346798      0.1841394     0.2493222      0.2673480     62.65167 19.34324 56.99383 22.67306 5.657841       29.80317 
1 1 1 14 7  17  o 50.61004 18.64756 0.1956230      0.1716796     0.7963664E-01  0.2395503     0.3181063      0.2461681     46.85136 20.24077 60.72351 22.33617 -13.87215      30.14288 
1 1 1 14 7  18  f 35.49937 15.36676 0.1734466E-01  0.1386211     0.4085416      0.2011588     -0.3364201     0.1912928     68.33810 20.02595 28.24521 13.90437 40.09290       24.37971 
1 1 1 14 7  19  o 79.45435 17.34526 0.5230491      0.1849603     0.6839941      0.2256342     0.1933587      0.3229381     89.95296 18.77246 55.36986 23.70462 34.58310       30.23763 
1 1 1 14 7  20  o 74.55437 17.64781 0.4662961      0.1788582     0.7129357      0.2176981     -0.4597393E-01 0.3137420     92.73891 17.64493 46.08105 21.24360 46.65786       27.61583 
1 1 1 14 7  21  o 68.02354 21.05832 0.4194102      0.2180744     0.5356572      0.3133903     0.3102785      0.3036478     72.87642 25.38303 59.96126 24.05847 12.91516       34.97297 
1 1 1 14 7  22  o 41.35369 17.09424 0.8553611E-01  0.1588428     0.4482250      0.2325742     -0.2315500     0.2174618     69.47132 21.78683 33.24215 16.00766 36.22917       27.03538 
1 1 1 14 7  23  o 28.51452 13.07005 -0.5414817E-01 0.1164472     -0.1685430     0.1709597     0.4486004E-01  0.1590472     30.38528 14.51516 38.68633 16.60079 -8.301052      22.05167 
1 1 1 14 7  24  o 49.11805 17.00898 0.1957998      0.1406219     0.1758903      0.1689330     0.2407231      0.2537582     48.06744 18.32892 54.50974 21.95024 -6.442303      28.59654 
1 1 1 14 7  25  o 30.19932 13.45190 -0.1540952E-01 0.1133506     0.5349981E-01  0.1498123     -0.1076804     0.1733567     38.24025 16.25227 32.62534 15.29071 5.614910       22.31462 
1 1 1 14 7  26  o 49.66713 18.48710 0.2005235      0.1695664     0.2062117      0.2305595     0.1938220      0.2502558     51.49364 20.85699 51.36424 21.36253 0.1293983      29.85584 
1 1 1 14 7  27  o 26.89856 12.17086 -0.3148459E-01 0.9691370E-01 0.1553389      0.1253499     -0.3091119     0.1528056     44.54794 16.00348 24.20964 12.01015 20.33830       20.00888 
1 1 1 14 7  28  o 53.60284 19.32485 0.2547221      0.1829398     0.4295039      0.2533798     0.6440001E-01  0.2644043     65.04774 22.81428 45.50762 20.38762 19.54012       30.59651 
1 1 1 14 7  29  o 38.87412 17.28284 0.2445937E-01  0.1861872     0.000000       0.000000      0.2445937E-01  0.1861872     ?        ?        38.87412 17.28284 0.000000       17.28284 
1 1 1 14 7  30  o 41.29057 18.07654 0.6376994E-01  0.1964372     0.000000       0.000000      0.6376994E-01  0.1964372     ?        ?        41.29057 18.07654 0.000000       18.07654 
1 1 1 14 7  31  o 52.46826 21.76894 0.2488350      0.2589706     0.000000       0.000000      0.2488350      0.2589706     ?        ?        52.46826 21.76894 0.000000       21.76894 
1 1 1 14 7  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 7  33  o 40.05983 17.44223 0.7369822E-01  0.1806819     0.000000       0.000000      0.7369822E-01  0.1806819     ?        ?        40.05983 17.44223 0.000000       17.44223 
1 1 1 14 7  34  o 36.84472 15.43625 0.7494672E-01  0.1320372     0.3391188E-01  0.1871803     0.1155880      0.1862805     38.15810 17.12029 42.26541 18.04655 -4.107304      24.87533 
1 1 1 14 7  35  o 48.38887 14.09121 0.2021971      0.9987648E-01 0.2045752      0.1251414     0.1980243      0.1657665     47.63591 16.05649 46.68633 18.06537 0.9495888      24.16958 
1 1 1 14 7  36  f 73.23380 13.67211 0.4532888      0.1331715     0.4430206      0.1654963     0.4721512      0.2243044     68.20764 17.48896 64.55058 21.49549 3.657066       27.71136 
1 1 1 14 7  37  o 38.08438 13.50074 0.1199669      0.8892734E-01 0.1462964      0.1063437     0.5874377E-01  0.1621621     41.10578 14.74317 36.77965 16.25091 4.326130       21.94205 
1 1 1 14 7  38  o 59.23814 14.31680 0.3140522      0.1158073     0.3651158      0.1418624     0.2120453      0.2005053     61.69562 16.37863 45.78683 19.08879 15.90879       25.15237 
1 1 1 14 7  39  o 106.5299 12.72875 0.9622435      0.1835308     1.008761       0.2306188     0.8818966      0.3030888     102.4770 16.88612 79.05347 24.88422 23.42352       30.07267 
1 1 1 14 7  40  o 72.37891 14.14488 0.4740279      0.1362993     0.4609519      0.1689843     0.4983729      0.2305758     65.74284 18.06014 60.58590 21.71132 5.156933       28.24093 
1 1 1 14 7  41  o 54.66168 13.75432 0.2778620      0.1037300     0.2963355      0.1386542     0.2543806      0.1563226     52.29535 16.87101 47.01357 17.70088 5.281784       24.45305 
1 1 1 14 7  42  o 76.48249 14.17492 0.5497625      0.1441870     0.6641425      0.1787430     0.3366693      0.2439714     80.12566 16.69707 46.78003 20.31797 33.34562       26.29852 
1 1 1 14 7  43  o 59.48030 16.82322 0.3991886      0.1443515     0.2545671      0.1636933     0.9049724      0.3061236     44.19905 17.68902 66.98882 24.85848 -22.78977      30.50976 
1 1 1 14 7  44  o 34.28416 13.58984 0.1142999      0.9572903E-01 0.1575817      0.1070219     -0.5893155E-01 0.2141081     38.12775 14.57678 30.74566 15.04822 7.382092       20.95069 
1 1 1 14 7  45  o 33.19115 13.54715 0.1105763      0.9816355E-01 0.8401573E-01  0.1090386     0.2241594      0.2254854     31.25374 13.57881 37.70043 17.59410 -6.446684      22.22468 
1 1 1 14 7  46  o 31.87844 13.33513 0.1050535      0.9831873E-01 0.9574074E-01  0.1092030     0.1449089      0.2259122     31.21827 13.57625 33.75584 16.27034 -2.537575      21.19053 
1 1 1 14 7  47  o 35.75572 14.98430 0.1812635      0.1244766     0.1812635      0.1244766     0.000000       0.000000      35.75572 14.98430 ?        ?        0.000000       14.98430 
1 1 1 14 7  48  o 41.42690 15.66740 0.2712690      0.1227973     0.2637906      0.1401691     0.2959545      0.2546647     38.37668 15.97658 33.30366 16.32377 5.073021       22.84112 
1 1 1 14 7  49  o 36.12651 15.78365 0.2744915      0.1490898     0.2603244      0.1763683     0.3099613      0.2790682     33.35180 15.56321 31.16926 15.58410 2.182539       22.02448 
1 1 1 14 7  50  o 30.83295 14.16695 0.2008654      0.1379506     0.1393712      0.1634760     0.3529647      0.2570991     27.69498 13.46523 29.94691 14.97072 -2.251932      20.13541 
1 1 1 14 7  51  o 22.73655 10.86420 0.3766811E-01  0.9590443E-01 0.1188352      0.1113392     -0.1957186     0.1887974     26.40653 12.33679 20.98921 10.73243 5.417316       16.35180 
1 1 1 14 7  52  o 24.63279 11.24898 0.9848367E-01  0.8519670E-01 0.1600341      0.1000033     -0.6443848E-01 0.1627005     27.42760 12.39104 20.74548 10.54896 6.682119       16.27324 
1 1 1 14 7  53  f 19.13929 9.207796 0.2121203E-01  0.7154992E-01 0.7155643E-01  0.8127540E-01 -0.1521935     0.1508395     21.71208 10.26653 18.21325 9.333970 3.498827       13.87532 
1 1 1 14 7  54  o 17.81402 8.820199 0.6663550E-02  0.8093300E-01 -0.6796324E-02 0.9415566E-01 0.4474519E-01  0.1583740     17.79622 8.920413 19.33629 9.882558 -1.540066      13.31310 
1 1 1 14 7  55  o 14.50614 7.250540 -0.3698647E-01 0.6019275E-01 -0.1700700E-01 0.6720176E-01 -0.1180572     0.1353695     15.56487 7.761174 16.07063 8.265289 -0.5057545     11.33803 
1 1 1 14 7  56  o 15.85126 7.994152 0.1507590E-01  0.8188885E-01 0.5991951E-01  0.1158261     -0.2974021E-01 0.1157906     16.71966 8.537578 15.55986 7.987791 1.159798       11.69166 
1 1 1 14 7  57  o 16.16029 8.222947 0.9279741E-01  0.1001028     0.7820688E-01  0.1385964     0.1087093      0.1447364     15.59264 8.036070 15.80128 8.146771 -0.2086353     11.44326 
1 1 1 14 7  58  o 14.44131 7.376235 0.5325276E-01  0.8700451E-01 0.8501499E-02  0.1103477     0.1267866      0.1414504     13.86860 7.148661 14.68464 7.588862 -0.8160372     10.42565 
1 1 1 14 7  59  o 11.47828 5.882942 -0.5325777E-01 0.6007317E-01 -0.5021061E-01 0.7478151E-01 -0.5880179E-01 0.1008695     12.00329 6.171972 12.38542 6.400939 -0.3821278     8.891865 
1 1 1 14 7  60  o 12.82013 6.589530 0.6400658E-01  0.8420219E-01 0.7114638E-01  0.1060695     0.5184015E-01  0.1384616     12.69401 6.560551 12.45765 6.470773 0.2363558      9.214756 
1 1 1 14 7  61  o 12.70495 6.578603 0.2082135      0.1123739     0.2522912      0.1437761     0.1390152      0.1801460     12.40315 6.445283 11.82371 6.155516 0.5794430      8.912466 
1 1 1 14 7  62  o 10.72515 5.557513 0.2147662E-01  0.8381290E-01 -0.2635127E-02 0.1052857     0.6318976E-01  0.1384815     10.60011 5.508392 10.82495 5.633570 -0.2248363     7.879054 
1 1 1 14 7  63  o 10.24425 5.333274 0.1631291      0.1384663     0.8321419E-01  0.1640182     0.3613678      0.2583286     10.01064 5.213587 10.13415 5.272597 -0.1235104     7.414969 
1 1 1 14 7  64  o 9.145981 4.762609 0.8995420E-01  0.1242626     0.5956961E-01  0.1460889     0.1694649      0.2363215     9.054425 4.715329 9.079210 4.720680 -0.2478504E-01 6.672267 
1 1 1 14 7  65  o 6.440808 3.344933 -0.1296536     0.3628355E-01 -0.1085162     0.3776452E-01 -0.3834074     0.1308471     6.720764 3.488705 7.663758 3.989653 -0.9429941     5.299848 
1 1 1 14 7  66  o 7.190775 3.743295 -0.4374060E-01 0.6562391E-01 0.4750103E-01  0.8719358E-01 -0.1629473     0.9966400E-01 7.488478 3.899875 7.109415 3.702015 0.3790631      5.377169 
1 1 1 14 7  67  o 6.394224 3.328590 -0.3945902E-01 0.5179938E-01 -0.9524189E-01 0.6494906E-01 0.5803632E-01  0.8586465E-01 6.316270 3.289526 6.690619 3.483912 -0.3743486     4.791516 
1 1 1 14 7  68  o 5.936964 3.087657 0.6344730E-01  0.9746262E-01 0.6642351E-01  0.1407386     0.6070478E-01  0.1351001     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  69  o 5.130214 2.666195 -0.4830254E-01 0.8019896E-01 -0.3671339E-02 0.1139239     -0.9215035E-01 0.1129197     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  70  f ?        ?        0.6481426E-01  0.1158135     -0.5273662E-01 0.2000599     0.1240631      0.1420323     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  71  o ?        ?        -0.1521992E-01 0.9224779E-01 -0.3618786E-02 0.1503684     -0.2222096E-01 0.1168120     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  72  o ?        ?        0.6691453E-01  0.1224125     -0.2411496E-01 0.1878018     0.1341603      0.1614140     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  73  o ?        ?        0.1054010      0.1265596     0.2299368      0.1962495     0.1673269E-01  0.1655944     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  74  o ?        ?        -0.3793542E-01 0.6537950E-01 0.3238779E-01  0.9383914E-01 -0.1042728     0.9114102E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 7  75  o ?        ?        0.2481392E-01  0.1217983     0.000000       0.000000      0.2481392E-01  0.1217983     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  0   f 34.22842 21.29391 0.1070859      0.2031042     0.000000       0.000000      0.1070859      0.2031042     34.22842 21.29391 34.22842 21.29391 0.000000       0.000000 
1 1 1 14 8  1   o 39.07299 15.96143 0.8732597E-01  0.1364150     -0.2657553E-01 0.1838369     0.2268931      0.2034977     36.43917 16.59532 51.49871 19.99127 -15.05954      25.98183 
1 1 1 14 8  2   o 36.80125 15.50007 0.5785746E-01  0.1342829     0.7974309E-01  0.1918156     0.3682274E-01  0.1880497     42.12686 18.15607 39.68065 17.51803 2.446209       25.22943 
1 1 1 14 8  3   o 46.59999 17.74866 0.1723330      0.1582906     0.2135706      0.2247332     0.1317326      0.2229905     50.96381 20.60948 46.39171 19.77501 4.572094       28.56225 
1 1 1 14 8  4   o 51.70036 18.37458 0.2337633      0.1648244     0.5535118E-01  0.2389880     0.3956074      0.2276211     43.59249 19.46667 63.17710 21.65315 -19.58461      29.11717 
1 1 1 14 8  5   o 41.92965 16.44056 0.1236350      0.1386935     -0.6178735E-02 0.2038901     0.2354350      0.1892155     38.78001 17.59006 51.82307 19.48161 -13.04306      26.24773 
1 1 1 14 8  6   o 49.71749 18.00184 0.2114353      0.1589982     0.2692894      0.2212561     0.1496550      0.2286406     54.24096 20.90402 47.39999 20.10872 6.840969       29.00584 
1 1 1 14 8  7   o 31.02362 14.11522 -0.3476305E-01 0.1325862     0.000000       0.000000      -0.3476305E-01 0.1325862     ?        ?        31.02362 14.11522 0.000000       14.11522 
1 1 1 14 8  8   o 53.46451 21.48739 0.2576899      0.2426543     0.000000       0.000000      0.2576899      0.2426543     ?        ?        53.46451 21.48739 0.000000       21.48739 
1 1 1 14 8  9   o 49.24907 20.34313 0.1907967      0.2247231     0.000000       0.000000      0.1907967      0.2247231     ?        ?        49.24907 20.34313 0.000000       20.34313 
1 1 1 14 8  10  o 44.57991 18.79264 0.1261734      0.1976688     0.000000       0.000000      0.1261734      0.1976688     ?        ?        44.57991 18.79264 0.000000       18.79264 
1 1 1 14 8  11  o 32.97252 13.46333 0.5431126E-01  0.9700172E-01 0.1216752      0.1191591     -0.7802892E-01 0.1670165     40.55953 15.41093 32.46773 15.14876 8.091801       21.60976 
1 1 1 14 8  12  o 55.81578 22.12881 0.3103284      0.2538664     0.000000       0.000000      0.3103284      0.2538664     ?        ?        55.81578 22.12881 0.000000       22.12881 
1 1 1 14 8  13  o 43.46440 18.48408 0.1161532      0.1940029     0.000000       0.000000      0.1161532      0.1940029     ?        ?        43.46440 18.48408 0.000000       18.48408 
1 1 1 14 8  14  o 43.69231 18.59008 0.1204210      0.1964092     0.000000       0.000000      0.1204210      0.1964092     ?        ?        43.69231 18.59008 0.000000       18.59008 
1 1 1 14 8  15  o 35.79499 15.88333 0.2145618E-01  0.1565242     0.000000       0.000000      0.2145618E-01  0.1565242     ?        ?        35.79499 15.88333 0.000000       15.88333 
1 1 1 14 8  16  o 37.55966 16.43777 0.4772415E-01  0.1623161     0.000000       0.000000      0.4772415E-01  0.1623161     ?        ?        37.55966 16.43777 0.000000       16.43777 
1 1 1 14 8  17  o 18.62768 8.956611 -0.8637077E-01 0.6747238E-01 -0.5924204E-01 0.1134454     -0.1012198     0.8393068E-01 27.10660 12.59295 20.84228 10.01319 6.264318       16.08870 
1 1 1 14 8  18  o 30.32938 13.72166 -0.1747357E-01 0.1231444     0.000000       0.000000      -0.1747357E-01 0.1231444     ?        ?        30.32938 13.72166 0.000000       13.72166 
1 1 1 14 8  19  o ?        ?        -0.2208203     0.4182503E-01 0.000000       0.000000      -0.2208203     0.4182503E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  20  o 37.15677 16.28624 0.5447517E-01  0.1598757     0.000000       0.000000      0.5447517E-01  0.1598757     ?        ?        37.15677 16.28624 0.000000       16.28624 
1 1 1 14 8  21  o 54.40616 22.09146 0.3399456      0.2593505     0.000000       0.000000      0.3399456      0.2593505     ?        ?        54.40616 22.09146 0.000000       22.09146 
1 1 1 14 8  22  o 39.51241 17.49723 0.7672120E-01  0.1890125     0.7672120E-01  0.1890125     0.000000       0.000000      39.51241 17.49723 ?        ?        0.000000       17.49723 
1 1 1 14 8  23  o 45.08307 19.40993 0.1774765      0.2187625     0.1774765      0.2187625     0.000000       0.000000      45.08307 19.40993 ?        ?        0.000000       19.40993 
1 1 1 14 8  24  o 42.58273 18.65492 0.1397417      0.2095244     0.1397417      0.2095244     0.000000       0.000000      42.58273 18.65492 ?        ?        0.000000       18.65492 
1 1 1 14 8  25  o 49.48275 21.12294 0.2910116      0.2550890     0.2910116      0.2550890     0.000000       0.000000      49.48275 21.12294 ?        ?        0.000000       21.12294 
1 1 1 14 8  26  o 35.19677 15.06601 0.7433998E-01  0.1304172     0.2205385      0.1937143     -0.4686136E-01 0.1763778     45.80312 18.90101 32.40025 15.26011 13.40286       24.29237 
1 1 1 14 8  27  o 41.16056 16.79805 0.1571795      0.1509078     0.2577415      0.2218358     0.7055727E-01  0.2058872     46.92028 19.85069 38.07558 17.42549 8.844707       26.41397 
1 1 1 14 8  28  o 26.90433 11.84414 0.1392128E-01  0.8537368E-01 -0.3616837E-01 0.1076649     0.9876455E-01  0.1401229     26.36553 12.25507 36.57388 15.63499 -10.20835      19.86554 
1 1 1 14 8  29  o 23.70415 10.98175 -0.3209318E-01 0.8538201E-01 0.6618676E-01  0.1178492     -0.1406764     0.1238727     32.96863 14.22007 23.79386 11.60243 9.174768       18.35284 
1 1 1 14 8  30  o 31.77720 14.10158 0.4723712E-01  0.1233997     0.1626789      0.1777641     -0.6013082E-01 0.1714351     39.97012 17.35176 30.27626 14.48304 9.693857       22.60182 
1 1 1 14 8  31  o 30.10362 13.56877 0.2897746E-01  0.1191189     0.3395068E-01  0.1700832     0.2418971E-01  0.1668815     33.17860 15.41565 32.64065 15.20034 0.5379524      21.64931 
1 1 1 14 8  32  o 24.49006 11.46730 -0.3274499E-01 0.9711633E-01 -0.1742892     0.1373840     0.1086312      0.1373025     23.56138 11.63371 35.05503 15.23389 -11.49365      19.16806 
1 1 1 14 8  33  o 24.63847 11.58296 -0.3176579E-01 0.1007832     -0.1527861     0.1399792     0.9849226E-01  0.1452234     24.06435 11.85551 33.97486 15.17307 -9.910519      19.25552 
1 1 1 14 8  34  o 24.04702 11.13889 -0.1272524E-01 0.8779389E-01 0.1674173E-01  0.1063235     -0.7586940E-01 0.1556425     27.31129 12.50766 27.04183 13.14558 0.2694626      18.14519 
1 1 1 14 8  35  o 26.21323 11.86563 0.2248811E-01  0.9222289E-01 -0.1117460E-01 0.1074110     0.1169134      0.1798947     25.56055 11.99760 33.78627 15.74988 -8.225721      19.79902 
1 1 1 14 8  36  o 14.87405 7.366941 -0.1022030     0.5662990E-01 -0.3827680E-01 0.7139830E-01 -0.2106284     0.9298525E-01 20.16926 9.562109 17.07395 8.599042 3.095308       12.85992 
1 1 1 14 8  37  o 35.12039 15.06798 0.1731896      0.1309918     0.3085689      0.2186812     0.9743122E-01  0.1635878     37.48679 17.43812 30.99450 14.62796 6.492289       22.76104 
1 1 1 14 8  38  o 24.01001 11.45994 -0.1247279E-01 0.1060949     0.1672522      0.1434901     -0.2292245     0.1575792     33.19124 14.93271 21.88636 11.04435 11.30488       18.57319 
1 1 1 14 8  39  o 31.29644 14.65750 0.1637417      0.1588143     0.2566920      0.2191400     0.6091911E-01  0.2304839     32.62711 15.79897 28.47920 14.22762 4.147913       21.26105 
1 1 1 14 8  40  o 22.29634 10.81940 -0.2461587E-01 0.1041862     0.6870506E-01  0.1401421     -0.1399228     0.1557783     26.83387 12.90380 22.23221 11.18843 4.601654       17.07890 
1 1 1 14 8  41  o 26.02689 12.37304 0.8146131E-01  0.1211550     0.7356866E-01  0.1913325     0.8674424E-01  0.1565362     26.03262 12.99901 26.23934 12.84779 -0.2067146     18.27676 
1 1 1 14 8  42  o 24.41838 11.36515 0.6946527E-01  0.9309167E-01 0.2012411E-01  0.1037645     0.2729838      0.2107395     22.41613 10.85865 28.04715 13.94593 -5.631020      17.67482 
1 1 1 14 8  43  o 22.17097 10.48091 0.4632735E-01  0.8461002E-01 0.3643215E-01  0.9351727E-01 0.9097460E-01  0.1986446     21.88360 10.52775 23.71305 12.01575 -1.829453      15.97535 
1 1 1 14 8  44  o 8.936423 4.538717 -0.9174883E-01 0.2948178E-01 -0.7281077E-01 0.3207489E-01 -0.1948699     0.7484645E-01 10.22330 5.135727 13.44448 6.864993 -3.221180      8.573437 
1 1 1 14 8  45  o 23.34765 11.21261 0.1390357      0.1050231     0.1314695      0.1174766     0.1691539      0.2343823     22.54862 11.05918 21.37454 10.98694 1.174086       15.58904 
1 1 1 14 8  46  o 20.99526 10.33732 0.1212094      0.1058961     0.3351526E-01  0.1186467     0.4646872      0.2348117     18.75151 9.476756 21.79663 11.19849 -3.045118      14.67021 
1 1 1 14 8  47  o 23.19526 11.53179 0.3784818      0.1438843     0.2546519      0.1627878     0.8206992      0.3076289     20.03148 10.21946 20.26622 10.50558 -0.2347336     14.65621 
1 1 1 14 8  48  o 17.77041 9.049169 0.1257843      0.1229833     0.9329353E-01  0.1438616     0.2139903      0.2370358     17.10893 8.788747 17.24699 8.947655 -0.1380634     12.54203 
1 1 1 14 8  49  o 17.29227 8.782177 0.1590125      0.1102952     0.1622712      0.1244659     0.1470964      0.2380120     16.91304 8.653450 15.80241 8.213094 1.110627       11.93051 
1 1 1 14 8  50  o 15.79757 8.100461 0.1560580      0.1153613     0.1735286      0.1480467     0.1290528      0.1840634     15.36363 7.933721 14.83718 7.701886 0.5264559      11.05726 
1 1 1 14 8  51  o 12.15303 6.216342 -0.3968403E-01 0.6383289E-01 -0.2148656E-02 0.7446092E-01 -0.1437418     0.1239782     13.04516 6.675871 12.50288 6.486062 0.5422754      9.307859 
1 1 1 14 8  52  o 13.74725 7.041229 0.8919670E-01  0.8458003E-01 0.1385580      0.1045519     -0.4287774E-02 0.1438826     13.92223 7.165732 12.73827 6.616205 1.183958       9.753045 
1 1 1 14 8  53  o 12.10051 6.219165 0.2389298E-01  0.7481997E-01 0.1127325      0.8231490E-01 -0.3983881     0.1794635     13.20142 6.774316 11.18239 5.822934 2.019033       8.932968 
1 1 1 14 8  54  o 12.05770 6.241248 0.1082509      0.9880433E-01 0.1533586      0.1107746     -0.6727920E-01 0.2185197     12.20110 6.324210 11.31629 5.893250 0.8848190      8.644422 
1 1 1 14 8  55  o 11.49974 5.976630 0.2334182      0.1254367     0.1802239      0.1416632     0.4265333      0.2699184     11.14837 5.800947 11.00763 5.730431 0.1407366      8.154068 
1 1 1 14 8  56  o 10.44835 5.438594 0.2060065      0.1359182     0.2479173      0.1606273     0.1003411      0.2550485     10.38587 5.408420 10.03247 5.219768 0.3533955      7.516448 
1 1 1 14 8  57  o 9.344422 4.864836 0.8700332E-01  0.1130537     0.1632196      0.1321436     -0.1211082     0.2183587     9.447221 4.919482 9.057180 4.711146 0.3900404      6.811476 
1 1 1 14 8  58  o 8.315590 4.329655 -0.1672296E-01 0.9496409E-01 -0.4483644E-01 0.1095833     0.6806140E-01  0.1903027     8.276849 4.310299 8.439328 4.390031 -0.1624794     6.152321 
1 1 1 14 8  59  o 7.554382 3.933704 -0.2367778E-01 0.8238838E-01 -0.4918379E-01 0.9140832E-01 0.8676296E-01  0.1902082     7.514612 3.913639 7.695555 3.998156 -0.1809435     5.594803 
1 1 1 14 8  60  o 7.049530 3.671197 0.2441375E-01  0.8663478E-01 0.5978063E-01  0.9645368E-01 -0.1232444     0.1970830     7.102235 3.698397 ?        ?        0.000000       3.698397 
1 1 1 14 8  61  f 6.428356 3.346408 0.8874903E-01  0.9008604E-01 0.5920386E-01  0.1160164     0.1336142      0.1429654     6.359323 3.306534 ?        ?        0.000000       3.306534 
1 1 1 14 8  62  o 5.685505 2.959605 -0.6891749E-02 0.7257568E-01 -0.3349316E-01 0.9028562E-01 0.4168762E-01  0.1220091     5.667408 2.947121 ?        ?        0.000000       2.947121 
1 1 1 14 8  63  o 4.854861 2.527384 -0.9227013E-01 0.5249165E-01 -0.9926818E-01 0.6412176E-01 -0.7805254E-01 0.9139651E-01 4.905727 2.551756 ?        ?        0.000000       2.551756 
1 1 1 14 8  64  o ?        ?        0.1322771      0.1003463     0.7352512E-01  0.1269550     0.2300908      0.1638092     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  65  o ?        ?        0.6282822E-01  0.9160407E-01 0.1236989      0.1341836     0.9698673E-02  0.1253613     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  66  o ?        ?        -0.5949647E-01 0.7248348E-01 -0.3300963E-01 0.9316985E-01 -0.1001056     0.1153645     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  67  o ?        ?        -0.4046099E-01 0.7363210E-01 -0.8131395E-02 0.9542432E-01 -0.8803847E-01 0.1157603     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  68  o ?        ?        0.1440080      0.1293412     0.1868593      0.1606712     0.6511094E-01  0.2180152     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  69  o ?        ?        -0.1398481     0.8097341E-01 -0.1289844E-02 0.1451495     -0.2024516     0.9756611E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 8  70  o ?        ?        -0.2347564E-01 0.1919588     -0.2347564E-01 0.1919588     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  2   o 36.59064 16.61349 0.9827414E-01  0.1824584     0.000000       0.000000      0.9827414E-01  0.1824584     ?        ?        36.59064 16.61349 0.000000       16.61349 
1 1 1 14 9  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  4   f 39.41988 17.75785 0.1586461      0.2036861     0.1586461      0.2036861     0.000000       0.000000      39.41988 17.75785 ?        ?        0.000000       17.75785 
1 1 1 14 9  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  10  o 29.59618 13.98760 -0.1526686E-01 0.1505315     -0.1526686E-01 0.1505315     0.000000       0.000000      29.59618 13.98760 ?        ?        0.000000       13.98760 
1 1 1 14 9  11  o 28.27680 13.36709 -0.2408439E-01 0.1376144     0.000000       0.000000      -0.2408439E-01 0.1376144     ?        ?        28.27680 13.36709 0.000000       13.36709 
1 1 1 14 9  12  o 35.48710 15.42769 0.1230017      0.1409279     0.6771734E-01  0.2016786     0.1757549      0.1970077     34.23631 16.18362 38.23957 17.32302 -4.003254      23.70646 
1 1 1 14 9  13  o 28.70951 13.57177 -0.1179150E-01 0.1418667     0.000000       0.000000      -0.1179150E-01 0.1418667     ?        ?        28.70951 13.57177 0.000000       13.57177 
1 1 1 14 9  14  o 18.37920 8.976472 -0.9759760E-01 0.7498997E-01 0.000000       0.000000      -0.9759760E-01 0.7498997E-01 ?        ?        18.37920 8.976472 0.000000       8.976472 
1 1 1 14 9  15  o 29.88168 13.52041 0.4901551E-01  0.1195918     0.2268311E-02  0.1838920     0.8327735E-01  0.1574310     30.78268 14.79734 32.87925 15.11717 -2.096577      21.15396 
1 1 1 14 9  16  o 36.03956 16.81994 0.1613089      0.2061244     0.000000       0.000000      0.1613089      0.2061244     ?        ?        36.03956 16.81994 0.000000       16.81994 
1 1 1 14 9  17  o 32.14073 15.14770 0.7290384E-01  0.1743046     0.000000       0.000000      0.7290384E-01  0.1743046     ?        ?        32.14073 15.14770 0.000000       15.14770 
1 1 1 14 9  18  o 15.65526 7.758117 -0.1128124     0.6312028E-01 -0.2710985E-01 0.1016641     -0.1665726     0.8051949E-01 24.13326 11.43237 16.61837 8.318113 7.514893       14.13825 
1 1 1 14 9  19  o 25.46744 11.94234 -0.2155000E-02 0.1059869     0.1117716      0.1545820     -0.1032232     0.1455974     32.51781 14.96163 24.70817 12.15686 7.809641       19.27795 
1 1 1 14 9  20  o 10.64353 5.423759 -0.1642264     0.4478329E-01 0.000000       0.000000      -0.1642264     0.4478329E-01 ?        ?        10.64353 5.423759 0.000000       5.423759 
1 1 1 14 9  21  o 24.27992 11.70477 -0.3673071E-01 0.1170239     0.000000       0.000000      -0.3673071E-01 0.1170239     ?        ?        24.27992 11.70477 0.000000       11.70477 
1 1 1 14 9  22  o 29.16380 14.01868 0.5790029E-01  0.1650157     0.000000       0.000000      0.5790029E-01  0.1650157     ?        ?        29.16380 14.01868 0.000000       14.01868 
1 1 1 14 9  23  o 10.48932 5.344940 -0.1562431     0.4345074E-01 0.000000       0.000000      -0.1562431     0.4345074E-01 ?        ?        10.48932 5.344940 0.000000       5.344940 
1 1 1 14 9  24  o 23.88494 11.60864 -0.2671781E-01 0.1212145     0.000000       0.000000      -0.2671781E-01 0.1212145     ?        ?        23.88494 11.60864 0.000000       11.60864 
1 1 1 14 9  25  o 21.03428 10.00279 -0.1746562E-01 0.7930642E-01 -0.2572201E-01 0.9978472E-01 -0.3306404E-02 0.1306737     22.28881 10.76090 24.71754 12.02249 -2.428720      16.13497 
1 1 1 14 9  26  o 24.16084 11.47956 0.2335895E-01  0.1040084     -0.1480379     0.1586798     0.1524629      0.1377178     22.18249 11.17964 30.07602 13.93844 -7.893538      17.86797 
1 1 1 14 9  27  o 21.52767 10.49928 -0.2744737E-01 0.1015674     0.7965880E-01  0.1559519     -0.1063405     0.1338452     26.37274 12.89414 21.24081 10.64535 5.131935       16.72071 
1 1 1 14 9  28  o 16.78571 8.380473 -0.1074657     0.7939894E-01 0.8819920E-01  0.1285019     -0.2282968     0.1009816     25.81521 12.39901 16.24343 8.264639 9.571774       14.90099 
1 1 1 14 9  29  o 27.25415 13.19844 0.1721411      0.1530238     -0.1551722E-01 0.2218657     0.3424077      0.2113348     23.67364 12.06443 29.21102 14.42435 -5.537378      18.80458 
1 1 1 14 9  30  o 26.42877 12.94694 0.1888222      0.1595442     0.1482726      0.2312838     0.2256355      0.2203707     24.62069 12.52509 25.71228 12.98516 -1.091591      18.04141 
1 1 1 14 9  31  o 21.87703 10.87727 0.3825685E-01  0.1281173     0.2871875      0.1945340     -0.1524134     0.1702542     25.93750 12.97480 19.73910 10.10099 6.198397       16.44310 
1 1 1 14 9  32  o 23.96015 11.55839 0.1351482      0.1145685     0.2029808      0.1404051     -0.8324617E-05 0.1981902     24.97563 12.21603 21.00091 10.75819 3.974720       16.27790 
1 1 1 14 9  33  o 15.98115 7.986083 -0.5895764E-01 0.7284824E-01 -0.1525890     0.1138816     0.5892160E-02  0.9477574E-01 16.57139 8.462169 18.98169 9.423741 -2.410297      12.66551 
1 1 1 14 9  34  o 15.86883 8.002300 -0.6751712E-01 0.8195529E-01 -0.1219134E-01 0.1251075     -0.1091059     0.1084695     18.39254 9.342216 16.39466 8.362061 1.997885       12.53798 
1 1 1 14 9  35  o 15.08731 7.652616 -0.8035116E-01 0.8192609E-01 0.4439127E-01  0.1235957     -0.1781156     0.1094175     18.45660 9.365548 14.97894 7.693430 3.477659       12.12033 
1 1 1 14 9  36  o ?        ?        -0.1419541     0.3463307E-01 -0.2497231     0.5136730E-01 -0.5213480E-01 0.4689481E-01 ?        ?        12.67480 6.344763 0.000000       6.344763 
1 1 1 14 9  37  o 13.06289 6.650616 -0.8718018E-01 0.6617306E-01 -0.1711017     0.1017122     -0.2558943E-01 0.8713535E-01 13.73985 7.071661 15.25423 7.753008 -1.514382      10.49369 
1 1 1 14 9  38  o 16.25186 8.358685 0.8890590E-01  0.1385674     0.1159555      0.1946730     0.6112679E-01  0.1972807     16.14772 8.370204 15.88942 8.241395 0.2582989      11.74653 
1 1 1 14 9  39  o 14.61341 7.467452 0.7885873E-02  0.9007083E-01 -0.6346925E-01 0.1072049     0.1791467      0.1660853     13.95928 7.188176 15.86533 8.199924 -1.906047      10.90452 
1 1 1 14 9  40  o 14.65148 7.528416 0.7382351E-01  0.1064939     0.3778706E-01  0.1260598     0.1636426      0.1990170     14.22874 7.346705 14.60291 7.588348 -0.3741693     10.56206 
1 1 1 14 9  41  o 13.79537 7.149502 0.8934049E-01  0.1400214     0.2095966E-01  0.1916620     0.1676128      0.2050562     13.43488 6.987820 13.82079 7.188807 -0.3859091     10.02540 
1 1 1 14 9  42  o 12.97192 6.723505 0.3244053E-01  0.1248482     0.1394088      0.1727851     -0.8442024E-01 0.1805981     13.30356 6.915627 12.62551 6.569297 0.6780462      9.538425 
1 1 1 14 9  43  o 12.20764 6.332849 0.3702574E-02  0.1181132     0.1276779E-01  0.1643347     -0.5984527E-02 0.1698779     12.28748 6.392081 12.23761 6.367495 0.4987144E-01  9.022400 
1 1 1 14 9  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  45  o 11.17398 5.818858 0.3520346E-01  0.1860056     0.000000       0.000000      0.3520346E-01  0.1860056     ?        ?        11.17398 5.818858 0.000000       5.818858 
1 1 1 14 9  46  o 10.65577 5.548920 0.8273482E-01  0.2086907     0.000000       0.000000      0.8273482E-01  0.2086907     ?        ?        10.65577 5.548920 0.000000       5.548920 
1 1 1 14 9  47  o 9.789895 5.079208 -0.7573093E-02 0.7666966E-01 0.7210229E-01  0.1245818     -0.5614511E-01 0.9727152E-01 10.11175 5.263107 9.642855 5.015148 0.4688921      7.269938 
1 1 1 14 9  48  o 9.593289 4.985243 0.8371238E-01  0.8631470E-01 0.9985677E-01  0.1059811     0.5190737E-01  0.1487530     9.528811 4.958811 9.313847 4.850399 0.2149649      6.936582 
1 1 1 14 9  49  f 8.747874 4.549620 0.3989811E-01  0.7987842E-01 0.3014389E-01  0.9533902E-01 0.6287272E-01  0.1463182     8.679440 4.518178 8.691758 4.526160 -0.1231766E-01 6.395315 
1 1 1 14 9  50  o 8.065987 4.200135 0.5804093E-01  0.9357244E-01 0.3890800E-01  0.1044274     0.1359849      0.2107732     8.002306 4.167573 ?        ?        0.000000       4.167573 
1 1 1 14 9  51  o 7.452633 3.881169 0.2598035E-01  0.8719026E-01 0.1991942E-02  0.9701478E-01 0.1267488      0.1988381     7.399795 3.853485 ?        ?        0.000000       3.853485 
1 1 1 14 9  52  o 6.706891 3.493023 -0.3184004E-01 0.7767382E-01 -0.7001515E-01 0.8563046E-01 0.1454163      0.1845181     6.654438 3.465195 ?        ?        0.000000       3.465195 
1 1 1 14 9  53  o 6.200544 3.228765 -0.1542392E-01 0.7567368E-01 0.1318985E-01  0.8402333E-01 -0.1383091     0.1741254     6.251369 3.254552 ?        ?        0.000000       3.254552 
1 1 1 14 9  54  o 5.712076 2.971629 0.3436079E-01  0.8548843E-01 0.6443340E-01  0.9511074E-01 -0.9211008E-01 0.1950469     5.733801 2.981172 ?        ?        0.000000       2.981172 
1 1 1 14 9  55  o 5.058436 2.629655 -0.2223801E-01 0.7476359E-01 -0.1394370E-01 0.8260009E-01 -0.5983333E-01 0.1758561     5.070835 2.634515 ?        ?        0.000000       2.634515 
1 1 1 14 9  56  o 4.455729 2.318020 -0.8344923E-01 0.5184367E-01 -0.7508147E-01 0.6149999E-01 -0.1039983     0.9637544E-01 4.502133 2.340007 ?        ?        0.000000       2.340007 
1 1 1 14 9  57  o ?        ?        0.2067282E-01  0.8422133E-01 0.3038302E-01  0.9290480E-01 -0.2410838E-01 0.1995134     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  58  o ?        ?        0.4808447E-02  0.9719758E-01 0.1366732E-02  0.1113661     0.1581176E-01  0.1991256     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  59  o ?        ?        -0.6266052E-01 0.8834080E-01 -0.6266052E-01 0.8834080E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  60  o ?        ?        0.4044891E-02  0.1027087     -0.8551886E-02 0.1124590     0.6738560E-01  0.2521772     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  61  f ?        ?        0.1409549E-02  0.1083552     -0.3477911E-01 0.1192988     0.1719544      0.2589817     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  62  o ?        ?        -0.7300082E-01 0.8716031E-01 -0.3266051E-01 0.1062333     -0.1560846     0.1524576     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 9  63  o ?        ?        0.1959221      0.2396379     0.1959221      0.2396379     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 2   o 22.22471 11.34456 0.1533169      0.2028546     0.1533169      0.2028546     0.000000       0.000000      22.22471 11.34456 ?        ?        0.000000       11.34456 
1 1 1 14 10 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 4   o 21.42818 10.89547 0.8631161E-01  0.1733739     0.000000       0.000000      0.8631161E-01  0.1733739     ?        ?        21.42818 10.89547 0.000000       10.89547 
1 1 1 14 10 5   o 14.74408 7.461228 -0.1189669     0.7499829E-01 0.000000       0.000000      -0.1189669     0.7499829E-01 ?        ?        14.74408 7.461228 0.000000       7.461228 
1 1 1 14 10 6   o 19.97371 10.15165 0.2736578E-03  0.1493797     0.000000       0.000000      0.2736578E-03  0.1493797     ?        ?        19.97371 10.15165 0.000000       10.15165 
1 1 1 14 10 7   o 10.15383 5.207082 -0.1759057     0.4779978E-01 0.000000       0.000000      -0.1759057     0.4779978E-01 ?        ?        10.15383 5.207082 0.000000       5.207082 
1 1 1 14 10 8   o 14.76189 7.481277 -0.1172010     0.7721431E-01 0.000000       0.000000      -0.1172010     0.7721431E-01 ?        ?        14.76189 7.481277 0.000000       7.481277 
1 1 1 14 10 9   o 18.69073 9.396910 -0.3257180E-02 0.1084772     -0.1959810     0.1566780     0.1741854      0.1503382     17.34950 8.921544 22.05133 11.08319 -4.701838      14.22783 
1 1 1 14 10 10  o 20.01521 10.27625 0.7959168E-01  0.1924002     0.000000       0.000000      0.7959168E-01  0.1924002     ?        ?        20.01521 10.27625 0.000000       10.27625 
1 1 1 14 10 11  o ?        ?        -0.2162192     0.4461212E-01 0.000000       0.000000      -0.2162192     0.4461212E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 12  o 18.11964 9.264782 -0.2142381E-01 0.1405744     0.000000       0.000000      -0.2142381E-01 0.1405744     ?        ?        18.11964 9.264782 0.000000       9.264782 
1 1 1 14 10 13  o 19.63308 9.965611 0.1127127      0.1406959     0.1110897      0.1999649     0.1143041      0.1979977     19.17612 9.871846 19.20912 9.885610 -0.3300285E-01 13.97063 
1 1 1 14 10 14  o 15.90487 8.117579 -0.8245818E-01 0.1035749     0.000000       0.000000      -0.8245818E-01 0.1035749     ?        ?        15.90487 8.117579 0.000000       8.117579 
1 1 1 14 10 15  o 18.37157 9.471686 0.1052774      0.1953872     0.000000       0.000000      0.1052774      0.1953872     ?        ?        18.37157 9.471686 0.000000       9.471686 
1 1 1 14 10 16  o 16.37823 8.403967 -0.5242317E-01 0.1264668     0.000000       0.000000      -0.5242317E-01 0.1264668     ?        ?        16.37823 8.403967 0.000000       8.403967 
1 1 1 14 10 17  o 17.40964 8.981886 0.6477203E-01  0.1812389     0.000000       0.000000      0.6477203E-01  0.1812389     ?        ?        17.40964 8.981886 0.000000       8.981886 
1 1 1 14 10 18  o 14.06424 7.194869 -0.9403656E-01 0.8576066E-01 0.000000       0.000000      -0.9403656E-01 0.8576066E-01 ?        ?        14.06424 7.194869 0.000000       7.194869 
1 1 1 14 10 19  o 16.63661 8.611754 0.1081574      0.1886907     0.000000       0.000000      0.1081574      0.1886907     ?        ?        16.63661 8.611754 0.000000       8.611754 
1 1 1 14 10 20  o 16.00099 8.285300 0.7035368E-01  0.1782585     0.000000       0.000000      0.7035368E-01  0.1782585     ?        ?        16.00099 8.285300 0.000000       8.285300 
1 1 1 14 10 21  o 15.27656 7.859699 0.2442300E-01  0.1239709     0.2011493      0.1850542     -0.1194648     0.1669785     16.19851 8.389412 14.58133 7.563391 1.617187       11.29545 
1 1 1 14 10 22  o 15.02051 7.785390 0.4125993E-01  0.1675171     0.000000       0.000000      0.4125993E-01  0.1675171     ?        ?        15.02051 7.785390 0.000000       7.785390 
1 1 1 14 10 23  o 14.58596 7.572787 0.6914137E-01  0.1804798     0.000000       0.000000      0.6914137E-01  0.1804798     ?        ?        14.58596 7.572787 0.000000       7.572787 
1 1 1 14 10 24  o 14.14235 7.343968 0.5696779E-01  0.1736380     0.000000       0.000000      0.5696779E-01  0.1736380     ?        ?        14.14235 7.343968 0.000000       7.343968 
1 1 1 14 10 25  o 12.22076 6.306151 -0.9736751E-01 0.9029941E-01 0.000000       0.000000      -0.9736751E-01 0.9029941E-01 ?        ?        12.22076 6.306151 0.000000       6.306151 
1 1 1 14 10 26  o 12.45554 6.439147 -0.6504996E-01 0.1038577     0.000000       0.000000      -0.6504996E-01 0.1038577     ?        ?        12.45554 6.439147 0.000000       6.439147 
1 1 1 14 10 27  o 10.34418 5.323608 -0.1097651     0.5749284E-01 0.000000       0.000000      -0.1097651     0.5749284E-01 ?        ?        10.34418 5.323608 0.000000       5.323608 
1 1 1 14 10 28  o 12.96416 6.729297 0.1217473      0.1399637     0.1101887      0.2030217     0.1322168      0.1932190     12.70273 6.612469 12.77502 6.648474 -0.7228565E-01 9.376938 
1 1 1 14 10 29  o 12.34661 6.428801 0.1792462      0.2142321     0.000000       0.000000      0.1792462      0.2142321     ?        ?        12.34661 6.428801 0.000000       6.428801 
1 1 1 14 10 30  o 10.83735 5.602252 -0.7333118E-01 0.7833356E-01 -0.7958862E-01 0.1344046     -0.7011227E-01 0.9639845E-01 11.39983 5.928363 11.14295 5.778974 0.2568741      8.279012 
1 1 1 14 10 31  o 11.63412 6.049910 0.1112169      0.1390508     -0.1095489E-01 0.2063976     0.2127522      0.1881602     11.27994 5.874672 11.68665 6.085105 -0.4067059     8.458149 
1 1 1 14 10 32  o 11.06265 5.754445 0.7960142E-01  0.1321180     0.3259524E-01  0.1974439     0.1177131      0.1777849     10.88401 5.668064 11.04287 5.750337 -0.1588554     8.074238 
1 1 1 14 10 33  o 10.49418 5.458995 0.2259150E-01  0.1194373     0.1025252      0.1794962     -0.4092071E-01 0.1599997     10.61223 5.526506 10.36414 5.397123 0.2480898      7.724714 
1 1 1 14 10 34  o 10.21942 5.315952 0.3364800      0.2788862     0.3364800      0.2788862     0.000000       0.000000      10.21942 5.315952 ?        ?        0.000000       5.315952 
1 1 1 14 10 35  o ?        ?        -0.3003871     0.4537974E-01 -0.3003871     0.4537974E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 36  o 9.046922 4.710986 0.2183222E-01  0.1168312     0.2183222E-01  0.1168312     0.000000       0.000000      9.046922 4.710986 ?        ?        0.000000       4.710986 
1 1 1 14 10 37  o 8.618568 4.484112 0.6243163E-01  0.1874424     0.6243163E-01  0.1874424     0.000000       0.000000      8.618568 4.484112 ?        ?        0.000000       4.484112 
1 1 1 14 10 38  o 8.139982 4.238033 0.8697609E-01  0.1382114     0.1394636      0.2031843     0.4177455E-01  0.1885554     8.123219 4.221489 8.070343 4.196004 0.5287647E-01  5.952094 
1 1 1 14 10 39  o 7.561770 3.937741 -0.9682810E-02 0.1050515     -0.3149130E-01 0.1586675     0.7338513E-02  0.1401754     7.566628 3.935203 7.594254 3.951905 -0.2762556E-01 5.577040 
1 1 1 14 10 40  o 7.259541 3.774497 0.1445816      0.1509663     0.1234820      0.2187623     0.1637661      0.2085975     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 41  o 6.589391 3.429240 -0.6740218E-01 0.1044156     0.2551944      0.1578245     -0.3185202     0.1392463     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 42  o 6.286479 3.269944 0.3261795E-01  0.1050872     0.1977220      0.1847269     -0.4637872E-01 0.1277779     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 43  o ?        ?        0.1438478      0.1499706     0.1912263      0.2092841     0.9383996E-01  0.2150130     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 44  o 5.271605 2.740109 -0.3896860E-01 0.8307112E-01 -0.1632741     0.1038937     0.1813731      0.1383224     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 45  o 4.869998 2.530012 -0.5537086E-01 0.7646561E-01 -0.6325348E-01 0.8958047E-01 -0.3420626E-01 0.1467855     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 46  o ?        ?        0.1158159      0.1500616     0.1234048      0.2086867     0.1076904      0.2159372     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 47  o ?        ?        -0.1839849E-01 0.1134256     0.1044454      0.1567191     -0.1535300     0.1643703     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 48  o ?        ?        0.8416602E-01  0.1439812     0.1421652      0.2003120     0.2217069E-01  0.2070979     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 49  o ?        ?        -0.7902042E-02 0.1169972     0.7211349E-01  0.1631060     -0.9270722E-01 0.1679168     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 50  o ?        ?        0.1419096      0.1610277     0.1228890E-01  0.2229550     0.2832549      0.2328203     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 51  o ?        ?        -0.4339583E-01 0.8900292E-01 -0.1578902     0.1540146     0.1401102E-01  0.1090565     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 52  o ?        ?        0.4479683E-01  0.1309455     0.1186122      0.1749777     -0.4916385E-01 0.1974160     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 53  o ?        ?        0.5386661E-01  0.1136563     0.4190864E-01  0.1859278     0.6100102E-01  0.1436133     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 10 54  o ?        ?        0.4315797E-01  0.1402930     -0.1117415     0.1912174     0.2237500      0.2064675     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 1   o 10.16421 5.293273 0.9490214E-01  0.1857428     0.9490214E-01  0.1857428     0.000000       0.000000      10.16421 5.293273 ?        ?        0.000000       5.293273 
1 1 1 14 11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 6   o 8.939021 4.642643 -0.1105837     0.7038681E-01 0.000000       0.000000      -0.1105837     0.7038681E-01 ?        ?        8.939021 4.642643 0.000000       4.642643 
1 1 1 14 11 7   o ?        ?        -0.2281198     0.4525863E-01 0.000000       0.000000      -0.2281198     0.4525863E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 8   o 9.615713 5.005449 0.2550257E-01  0.1156484     0.1102026      0.1628963     -0.6057385E-01 0.1642146     9.727146 5.065847 9.479996 4.937043 0.2471504      7.073698 
1 1 1 14 11 9   o 8.894215 4.626994 -0.1131285     0.8634135E-01 0.000000       0.000000      -0.1131285     0.8634135E-01 ?        ?        8.894215 4.626994 0.000000       4.626994 
1 1 1 14 11 10  o 9.424459 4.906113 0.9441545E-01  0.1968061     0.000000       0.000000      0.9441545E-01  0.1968061     ?        ?        9.424459 4.906113 0.000000       4.906113 
1 1 1 14 11 11  o 9.032849 4.704140 -0.6267224E-01 0.1293998     0.000000       0.000000      -0.6267224E-01 0.1293998     ?        ?        9.032849 4.704140 0.000000       4.704140 
1 1 1 14 11 12  o 9.062424 4.718112 0.3524324E-01  0.1756259     0.000000       0.000000      0.3524324E-01  0.1756259     ?        ?        9.062424 4.718112 0.000000       4.718112 
1 1 1 14 11 13  o 8.782121 4.573221 -0.4927864E-01 0.1420166     0.000000       0.000000      -0.4927864E-01 0.1420166     ?        ?        8.782121 4.573221 0.000000       4.573221 
1 1 1 14 11 14  o 8.806087 4.586035 0.6937604E-01  0.1312812     0.1480772      0.1924895     0.9315624E-03  0.1795088     8.819293 4.589153 8.700899 4.528406 0.1183939      6.447231 
1 1 1 14 11 15  o 8.553811 4.450992 0.5361198E-01  0.1797853     0.000000       0.000000      0.5361198E-01  0.1797853     ?        ?        8.553811 4.450992 0.000000       4.450992 
1 1 1 14 11 16  o ?        ?        0.3314475      0.2693127     0.000000       0.000000      0.3314475      0.2693127     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 17  o 7.867301 4.097169 -0.9437796E-01 0.1054003     0.000000       0.000000      -0.9437796E-01 0.1054003     ?        ?        7.867301 4.097169 0.000000       4.097169 
1 1 1 14 11 18  o 7.788056 4.054100 -0.4476296E-01 0.1377979     0.000000       0.000000      -0.4476296E-01 0.1377979     ?        ?        7.788056 4.054100 0.000000       4.054100 
1 1 1 14 11 19  o ?        ?        0.1667865      0.2279206     0.000000       0.000000      0.1667865      0.2279206     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 21  o 7.165099 3.725391 -0.4479459E-01 0.1470575     -0.4479459E-01 0.1470575     0.000000       0.000000      7.165099 3.725391 ?        ?        0.000000       3.725391 
1 1 1 14 11 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 25  f 5.688257 2.962365 -0.1536055     0.5336886E-01 0.000000       0.000000      -0.1536055     0.5336886E-01 ?        ?        5.688257 2.962365 0.000000       2.962365 
1 1 1 14 11 26  o ?        ?        0.2671031      0.2527263     0.000000       0.000000      0.2671031      0.2527263     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 27  o ?        ?        -0.1198451E-01 0.1532286     0.000000       0.000000      -0.1198451E-01 0.1532286     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 28  o ?        ?        0.9467506E-01  0.1942398     0.000000       0.000000      0.9467506E-01  0.1942398     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 29  f ?        ?        0.2380593      0.1722127     0.2935466      0.2422480     0.1813671      0.2448643     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 30  f ?        ?        -0.2454020     0.3512459E-01 -0.3016112     0.5341958E-01 -0.2025928     0.4661928E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 31  o ?        ?        0.1143706E-01  0.8872981E-01 -0.1406986     0.1155089     0.2304333      0.1385856     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 32  o ?        ?        0.1137317      0.1212986     0.1897304      0.1530920     -0.1444541E-01 0.1988177     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 33  o ?        ?        -0.4306421E-01 0.7343896E-01 -0.2204684     0.1293010     0.4141711E-01  0.8922783E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 34  o ?        ?        0.7060786E-01  0.1388247     0.2228345      0.2087813     -0.5003700E-01 0.1858663     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 35  o ?        ?        0.7778967E-01  0.1392177     0.1497680      0.2119732     0.2319098E-01  0.1846168     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 36  o ?        ?        -0.8976161E-01 0.7868733E-01 -0.6840594E-01 0.1389318     -0.9984738E-01 0.9547714E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 37  f ?        ?        -0.1234199     0.6016734E-01 -0.9492782E-01 0.1207459     -0.1328313     0.6939666E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 38  o ?        ?        0.4759583E-01  0.1206238     -0.1669753E-01 0.1714045     0.1106783      0.1697828     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 39  o ?        ?        0.3740148E-01  0.1291927     0.2145106      0.1912221     -0.1113310     0.1752349     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 40  o ?        ?        0.2735580E-01  0.1010834     0.9835164E-01  0.1275971     -0.9228897E-01 0.1656423     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 41  o ?        ?        -0.9404604E-01 0.4032284E-01 -0.3430183     0.7489316E-01 0.7587494E-02  0.4785036E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 11 42  o ?        ?        -0.9451555E-01 0.1299179     -0.9451555E-01 0.1299179     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 1   o ?        ?        -0.2014985E-01 0.1394353     0.000000       0.000000      -0.2014985E-01 0.1394353     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 8   o ?        ?        -0.1607670     0.4970512E-01 0.000000       0.000000      -0.1607670     0.4970512E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 9   f ?        ?        0.1690860      0.2117226     0.000000       0.000000      0.1690860      0.2117226     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 14  o ?        ?        0.1091302      0.2076657     0.1091302      0.2076657     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 16  o ?        ?        0.3244629      0.2803426     0.000000       0.000000      0.3244629      0.2803426     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 17  o ?        ?        0.7773545E-01  0.1835302     0.000000       0.000000      0.7773545E-01  0.1835302     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 18  o ?        ?        0.8160424E-01  0.1961025     0.000000       0.000000      0.8160424E-01  0.1961025     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 19  f ?        ?        -0.9402775E-02 0.1592809     0.000000       0.000000      -0.9402775E-02 0.1592809     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 20  o ?        ?        0.5227066E-01  0.1852948     0.000000       0.000000      0.5227066E-01  0.1852948     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 21  o ?        ?        -0.8827861E-01 0.1191629     0.000000       0.000000      -0.8827861E-01 0.1191629     ?        ?        ?        ?        0.000000       ?        
1 1 1 14 12 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 23  o ?        ?        0.2656899      0.2546606     0.2656899      0.2546606     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  6   o 113.4348 30.98684 1.199936       0.4196141     1.199936       0.4196141     0.000000       0.000000      113.4348 30.98684 113.4348 30.98684 0.000000       0.000000 
1 1 1 15 0  7   o 76.96893 30.83783 0.6442083      0.3182462     0.6442083      0.3182462     0.000000       0.000000      76.96893 30.83783 76.96893 30.83783 0.000000       0.000000 
1 1 1 15 0  8   o 127.3296 31.37807 1.478473       0.4776534     1.478473       0.4776534     0.000000       0.000000      127.3296 31.37807 127.3296 31.37807 0.000000       0.000000 
1 1 1 15 0  9   o 67.73965 30.32825 0.5278022      0.3021975     0.5278022      0.3021975     0.000000       0.000000      67.73965 30.32825 67.73965 30.32825 0.000000       0.000000 
1 1 1 15 0  10  f 69.22185 30.14755 0.5420764      0.2988972     0.5420764      0.2988972     0.000000       0.000000      69.22185 30.14755 69.22185 30.14755 0.000000       0.000000 
1 1 1 15 0  11  o 57.10852 27.89220 0.3828319      0.2597522     0.3828319      0.2597522     0.000000       0.000000      57.10852 27.89220 57.10852 27.89220 0.000000       0.000000 
1 1 1 15 0  12  o 65.08275 29.56315 0.4877208      0.2873390     0.4877208      0.2873390     0.000000       0.000000      65.08275 29.56315 65.08275 29.56315 0.000000       0.000000 
1 1 1 15 0  13  o 159.0129 28.68188 2.154882       0.5688954     2.154882       0.5688954     0.000000       0.000000      159.0129 28.68188 159.0129 28.68188 0.000000       0.000000 
1 1 1 15 0  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  16  f 67.03934 30.66154 0.5243971      0.3093112     0.5243971      0.3093112     0.000000       0.000000      67.03934 30.66154 67.03934 30.66154 0.000000       0.000000 
1 1 1 15 0  17  o 23.26407 15.42280 -0.2263787E-01 0.1307027     -0.2263787E-01 0.1307027     0.000000       0.000000      23.26407 15.42280 23.26407 15.42280 0.000000       0.000000 
1 1 1 15 0  18  o 37.29271 22.16940 0.1330348      0.1994561     0.1330348      0.1994561     0.000000       0.000000      37.29271 22.16940 37.29271 22.16940 0.000000       0.000000 
1 1 1 15 0  19  o 45.63652 25.35704 0.2377211      0.2360177     0.2377211      0.2360177     0.000000       0.000000      45.63652 25.35704 45.63652 25.35704 0.000000       0.000000 
1 1 1 15 0  20  o 14.44325 10.22135 -0.1017301     0.8385140E-01 -0.1017301     0.8385140E-01 0.000000       0.000000      14.44325 10.22135 14.44325 10.22135 0.000000       0.000000 
1 1 1 15 0  21  o 171.8358 28.89446 2.502435       0.6273509     2.502435       0.6273509     0.000000       0.000000      171.8358 28.89446 171.8358 28.89446 0.000000       0.000000 
1 1 1 15 0  22  o 108.2338 33.37717 1.153613       0.4364558     1.153613       0.4364558     0.000000       0.000000      108.2338 33.37717 108.2338 33.37717 0.000000       0.000000 
1 1 1 15 0  23  o 140.7696 31.23897 1.767863       0.5307741     1.767863       0.5307741     0.000000       0.000000      140.7696 31.23897 140.7696 31.23897 0.000000       0.000000 
1 1 1 15 0  24  o 48.24047 26.06074 0.2716312      0.2419871     0.2716312      0.2419871     0.000000       0.000000      48.24047 26.06074 48.24047 26.06074 0.000000       0.000000 
1 1 1 15 0  25  o 71.83623 22.60920 0.4774958      0.1970062     0.3305500      0.2953086     0.5953405      0.2644555     52.35930 28.62564 77.28571 27.27594 0.000000       0.000000 
1 1 1 15 0  26  o 57.33523 22.63206 0.3352844      0.1722801     0.3799613      0.2634106     0.3018872      0.2277441     56.71846 28.02160 50.89404 25.87075 0.000000       0.000000 
1 1 1 15 0  27  o 34.76553 16.71979 0.1292547      0.9285063E-01 0.8326246E-01  0.1976699     0.1422755      0.1051759     34.01363 21.09244 36.28968 17.74430 0.000000       0.000000 
1 1 1 15 0  28  o 30.58053 15.98186 0.9972943E-01  0.8850040E-01 0.8476581E-01  0.1926495     0.1037320      0.9963601E-01 33.82297 20.90746 31.26064 16.77494 0.000000       0.000000 
1 1 1 15 0  29  o 102.1001 15.65665 0.8019671      0.2053052     1.049258       0.3820617     0.7015698      0.2434395     105.3950 30.27583 89.99213 22.65130 0.000000       0.000000 
1 1 1 15 0  30  o 90.98846 16.43525 0.6523381      0.1864848     0.2703460      0.3455432     0.8093202      0.2215135     48.92205 29.13446 101.4682 17.32707 0.000000       0.000000 
1 1 1 15 0  31  o 93.49917 13.58355 0.6626534      0.1645851     0.3291027      0.2377087     0.9697970      0.2281050     52.83557 26.52628 112.8460 15.46331 0.000000       0.000000 
1 1 1 15 0  32  o 58.46147 22.39310 0.3449234      0.1707207     0.000000       0.000000      0.3449234      0.1707207     58.46147 22.39310 58.46147 22.39310 0.000000       0.000000 
1 1 1 15 0  33  o 71.94251 22.76076 0.4834570      0.1988432     0.000000       0.000000      0.4834570      0.1988432     71.94251 22.76076 71.94251 22.76076 0.000000       0.000000 
1 1 1 15 0  34  o 49.29011 26.94663 0.2933413      0.2616709     0.2933413      0.2616709     0.000000       0.000000      49.29011 26.94663 49.29011 26.94663 0.000000       0.000000 
1 1 1 15 0  35  o 62.01345 30.64083 0.4793481      0.3149686     0.4793481      0.3149686     0.000000       0.000000      62.01345 30.64083 62.01345 30.64083 0.000000       0.000000 
1 1 1 15 0  36  o 35.22041 18.22457 0.1369039      0.1142154     0.2547456      0.2240592     0.9553222E-01  0.1327593     46.25679 25.04894 31.34862 18.34298 0.000000       0.000000 
1 1 1 15 0  37  o 34.30911 17.94039 0.1297296      0.1115668     0.1235238      0.2188290     0.1319092      0.1296878     36.88266 22.55627 34.68863 18.96808 0.000000       0.000000 
1 1 1 15 0  38  o 35.63594 18.60971 0.1416689      0.1199278     0.2993586      0.2311469     0.8358397E-01  0.1402873     49.50726 25.84075 30.59899 18.39280 0.000000       0.000000 
1 1 1 15 0  39  o 50.64360 20.77525 0.2693593      0.1434519     -0.5640957E-02 0.2645845     0.3838540      0.1707224     32.83429 21.82596 62.52130 21.84983 0.000000       0.000000 
1 1 1 15 0  40  f 21.71430 13.92641 0.1249182E-01  0.9463092E-01 0.1022344      0.1854375     -0.1910789E-01 0.1100373     33.84045 20.72788 21.19897 14.08619 0.000000       0.000000 
1 1 1 15 0  41  o 15.08273 10.48120 -0.6242136E-01 0.7698418E-01 0.1615160      0.1558988     -0.1346374     0.8853126E-01 37.45124 20.68061 13.81566 9.901633 0.000000       0.000000 
1 1 1 15 0  42  o 18.68904 12.46251 -0.1986245E-01 0.8747212E-01 0.7774948E-01  0.1701907     -0.5490432E-01 0.1019713     31.32905 19.49113 18.42976 12.61742 0.000000       0.000000 
1 1 1 15 0  43  o ?        ?        -0.1755458     0.3363265E-01 -0.7570035E-01 0.8576486E-01 -0.1936905     0.3656115E-01 15.56707 10.87297 15.56707 10.87297 0.000000       0.000000 
1 1 1 15 0  44  o 17.71329 12.01355 -0.3637421E-01 0.8795191E-01 0.1186934      0.1656962     -0.9720335E-01 0.1037786     33.63226 20.10294 16.78618 11.77505 0.000000       0.000000 
1 1 1 15 0  45  o 25.26217 15.67317 0.4658603E-01  0.1092794     0.1541486      0.2025925     0.2447394E-02  0.1297783     36.86788 22.13205 23.88749 15.67674 0.000000       0.000000 
1 1 1 15 0  46  o 18.91134 12.94236 -0.5232453E-01 0.1070735     0.3456810E-02  0.1629732     -0.9468936E-01 0.1420282     26.24693 17.34084 20.52995 14.25934 0.000000       0.000000 
1 1 1 15 0  47  o 22.86049 15.14252 -0.6443419E-02 0.1255712     -0.6029082E-01 0.1882183     0.3674881E-01  0.1685707     25.20116 17.22366 28.11958 18.24170 0.000000       0.000000 
1 1 1 15 0  48  o 21.49987 14.50648 -0.3014563E-01 0.1250183     0.1194512      0.1870926     -0.1508295     0.1680428     33.39265 20.62488 20.76445 14.65078 0.000000       0.000000 
1 1 1 15 0  49  o 8.571114 6.357987 -0.2338514     0.6450412E-01 0.5778192E-01  0.1026578     -0.4241073     0.8291677E-01 25.29163 15.45901 25.29163 15.45901 0.000000       0.000000 
1 1 1 15 0  50  o 27.93085 17.80012 0.6199229E-01  0.1516166     0.8040310E-01  0.2238189     0.4637953E-01  0.2061106     31.76919 20.75688 29.61615 19.54513 0.000000       0.000000 
1 1 1 15 0  51  o 56.77794 31.30919 0.6136005      0.3567582     0.000000       0.000000      0.6136005      0.3567582     56.77794 31.30919 56.77794 31.30919 0.000000       0.000000 
1 1 1 15 0  52  o 43.94920 26.86049 0.3680154      0.3098574     0.000000       0.000000      0.3680154      0.3098574     43.94920 26.86049 43.94920 26.86049 0.000000       0.000000 
1 1 1 15 0  53  o 34.40648 22.66921 0.1703429      0.2754164     0.1703429      0.2754164     0.000000       0.000000      34.40648 22.66921 34.40648 22.66921 0.000000       0.000000 
1 1 1 15 0  54  o 35.02047 22.88324 0.2149980      0.2721170     0.2149980      0.2721170     0.000000       0.000000      35.02047 22.88324 35.02047 22.88324 0.000000       0.000000 
1 1 1 15 0  55  o 15.74443 11.23093 -0.1155381     0.1086932     0.4679277E-01  0.1495694     -0.2972040     0.1582264     24.93452 16.51963 15.88932 11.61860 0.000000       0.000000 
1 1 1 15 0  56  o 18.97390 13.29073 -0.6250680E-01 0.1308566     0.6111665E-01  0.1842808     -0.1882412     0.1858475     26.04899 17.58674 19.25520 13.88231 0.000000       0.000000 
1 1 1 15 0  57  o 22.56226 15.47718 0.1347677E-01  0.1551080     0.1431879      0.2190350     -0.1169975     0.2196783     28.64970 19.29203 21.71531 15.56871 0.000000       0.000000 
1 1 1 15 0  58  o 19.32495 13.62416 -0.5117426E-01 0.1443965     -0.1162902     0.2027005     0.1591478E-01  0.2057487     20.43167 14.69581 23.47342 16.49003 0.000000       0.000000 
1 1 1 15 0  59  o 21.82565 15.23547 0.2403224E-01  0.1677354     -0.2050169     0.2334287     0.2685640      0.2411890     19.43076 14.19759 29.55150 20.00084 0.000000       0.000000 
1 1 1 15 0  60  f 25.02575 17.16508 0.1576658      0.1906635     0.2804862      0.2692879     0.3420280E-01  0.2699914     26.90754 18.89493 22.41810 16.24117 0.000000       0.000000 
1 1 1 15 0  61  o 21.60687 15.19700 0.9216747E-01  0.1763960     0.2861266      0.2511528     -0.9665383E-01 0.2478041     25.28800 17.85571 19.20906 14.09612 0.000000       0.000000 
1 1 1 15 0  62  o 17.87240 12.90785 -0.4945599E-02 0.1640275     -0.4794905     0.2306992     0.4802010      0.2332620     14.66475 10.93868 28.39645 19.34494 0.000000       0.000000 
1 1 1 15 0  63  o 16.79563 12.20411 0.2608913E-02  0.1587104     0.3276296E-01  0.2247846     -0.2736641E-01 0.2241175     17.75382 13.06495 17.12035 12.63643 0.000000       0.000000 
1 1 1 15 0  64  o 16.62560 12.16996 0.7395751E-01  0.1767582     -0.1919885     0.2512655     0.3345045      0.2487019     14.88844 11.11930 18.91412 13.90253 0.000000       0.000000 
1 1 1 15 0  65  o 13.99086 10.33476 -0.2529238E-01 0.1527026     -0.8666542E-01 0.2185110     0.3328966E-01  0.2134847     14.08841 10.51518 14.86847 11.06115 0.000000       0.000000 
1 1 1 15 0  66  o 11.39189 8.471528 -0.1352342     0.1236692     -0.6559545E-01 0.1758305     -0.2034099     0.1739737     12.83325 9.571540 11.93356 8.915283 0.000000       0.000000 
1 1 1 15 0  67  o 12.42312 9.267565 0.2778427E-01  0.1662879     -0.9434887E-01 0.2392159     0.1419840      0.2313161     12.09452 9.043896 12.96854 9.680018 0.000000       0.000000 
1 1 1 15 0  68  o 8.893485 6.640707 -0.2131022     0.9800820E-01 -0.1035583     0.1434687     -0.3089547     0.1342038     10.67887 7.968295 9.396018 7.021509 0.000000       0.000000 
1 1 1 15 0  69  o 9.345934 6.973892 -0.1606369     0.1174766     -0.5113878E-01 0.1733070     -0.2537194     0.1597890     10.45382 7.815644 9.570588 7.158939 0.000000       0.000000 
1 1 1 15 0  70  o 10.10714 7.557136 0.6480876E-01  0.1632640     0.1623726      0.2295424     -0.3508044E-01 0.2322618     10.24211 7.671061 9.843307 7.374703 0.000000       0.000000 
1 1 1 15 0  71  o 9.174476 6.875498 0.4421980E-01  0.2305054     0.000000       0.000000      0.4421980E-01  0.2305054     9.174476 6.875498 9.174476 6.875498 0.000000       0.000000 
1 1 1 15 0  72  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  73  o 7.506846 5.623509 0.2222043      0.3011372     0.2222043      0.3011372     0.000000       0.000000      7.506846 5.623509 7.506846 5.623509 0.000000       0.000000 
1 1 1 15 0  74  o 6.150932 4.609695 -0.1937879     0.1113655     0.3382651E-01  0.1713612     -0.3602114     0.1465278     6.636367 4.973453 6.135210 4.597864 0.000000       0.000000 
1 1 1 15 0  75  o 5.837408 4.373672 0.1149985E-01  0.1615974     -0.2830045E-01 0.2416332     0.4370442E-01  0.2173563     5.829930 4.364515 5.856842 4.385434 0.000000       0.000000 
1 1 1 15 0  76  o 4.911806 3.680437 -0.1938890     0.1085175     -0.1390119     0.1718002     -0.2303187     0.1399766     5.079354 3.803020 4.979134 3.729171 0.000000       0.000000 
1 1 1 15 0  77  o ?        ?        0.1019362      0.1843390     0.1178085      0.2755951     0.8908580E-01  0.2479762     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 0  78  o ?        ?        0.3241338      0.2286693     0.6313060      0.3404250     0.7158609E-01  0.3086756     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 0  79  o ?        ?        -0.1026566     0.1437172     0.3202091E-01  0.2212411     -0.2009749     0.1890320     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 0  80  o ?        ?        -0.7867476E-01 0.1504469     0.2087459E-01  0.2303633     -0.1527136     0.1986662     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 0  81  o ?        ?        -0.2434685     0.8753774E-01 -0.3516303     0.1515960     -0.1893621     0.1072198     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 0  82  o ?        ?        -0.2597549     0.1189840     0.000000       0.000000      -0.2597549     0.1189840     ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 1  0   o 73.96677 30.40342 0.6010438      0.3070508     0.6010438      0.3070508     0.000000       0.000000      73.96677 30.40342 73.96677 30.40342 0.000000       0.000000 
1 1 1 15 1  1   o 141.1094 18.21256 1.581673       0.3465842     1.322142       0.4884696     1.844792       0.4918359     115.6103 30.24967 143.9605 25.68429 -28.35023      39.68281 
1 1 1 15 1  2   o 69.55817 23.26881 0.4188146      0.2627940     0.000000       0.000000      0.4188146      0.2627940     ?        ?        69.55817 23.26881 0.000000       23.26881 
1 1 1 15 1  3   o 103.9767 27.17694 1.012308       0.3945454     0.000000       0.000000      1.012308       0.3945454     ?        ?        103.9767 27.17694 0.000000       27.17694 
1 1 1 15 1  4   o 57.36964 20.85431 0.2542301      0.2136812     0.000000       0.000000      0.2542301      0.2136812     ?        ?        57.36964 20.85431 0.000000       20.85431 
1 1 1 15 1  5   f 111.8993 27.63625 1.174975       0.4244916     0.000000       0.000000      1.174975       0.4244916     ?        ?        111.8993 27.63625 0.000000       27.63625 
1 1 1 15 1  6   o 69.50118 23.36353 0.4182828      0.2649506     0.000000       0.000000      0.4182828      0.2649506     ?        ?        69.50118 23.36353 0.000000       23.36353 
1 1 1 15 1  7   o 97.21327 18.62710 0.7634478      0.2409373     0.4408982      0.3295285     1.133944       0.3531725     70.67754 25.86615 114.8087 23.07828 -44.13117      34.66504 
1 1 1 15 1  8   o 75.85556 18.54949 0.4700825      0.1926766     0.4043578      0.2634401     0.5456787      0.2825322     68.52737 23.29555 78.28924 23.92526 -9.761871      33.39312 
1 1 1 15 1  9   o 109.7780 18.55622 0.9678190      0.2712571     0.6337734      0.3724927     1.344972       0.3957982     81.47504 27.70070 124.4163 23.90742 -42.94128      36.59089 
1 1 1 15 1  10  o 127.3578 18.15530 1.289909       0.3102387     1.220565       0.4322001     1.363618       0.4455939     114.0678 27.71343 121.4811 27.23666 -7.413330      38.85704 
1 1 1 15 1  11  o 92.87723 25.77284 0.7922231      0.3421757     0.7922231      0.3421757     0.000000       0.000000      92.87723 25.77284 ?        ?        0.000000       25.77284 
1 1 1 15 1  12  f 140.6205 27.55681 1.820514       0.5159423     1.820514       0.5159423     0.000000       0.000000      140.6205 27.55681 ?        ?        0.000000       27.55681 
1 1 1 15 1  13  o 143.2615 18.28003 1.631137       0.3533711     1.506355       0.4921200     1.763960       0.5077300     125.7513 28.94170 138.4022 27.53635 -12.65094      39.94838 
1 1 1 15 1  14  o 101.2044 19.46027 0.8361924      0.2620715     0.7207172      0.3624338     0.9627304      0.3793981     87.18690 27.17378 101.8637 26.66249 -14.67678      38.06971 
1 1 1 15 1  15  o 115.0023 18.51553 1.059428       0.2840423     0.000000       0.000000      1.059428       0.2840423     ?        ?        115.0023 18.51553 0.000000       18.51553 
1 1 1 15 1  16  o 68.80980 24.30650 0.4093114      0.2880019     0.000000       0.000000      0.4093114      0.2880019     ?        ?        68.80980 24.30650 0.000000       24.30650 
1 1 1 15 1  17  f 50.68468 18.09475 0.1891406      0.1600138     0.1456695      0.2256043     0.2331472      0.2269894     50.75694 20.60609 56.30560 21.29962 -5.548660      29.63587 
1 1 1 15 1  18  o 131.9901 14.58655 1.321385       0.2614044     1.288058       0.4629884     1.336980       0.3167145     115.7993 29.01459 129.7186 18.18129 -13.91925      34.24041 
1 1 1 15 1  19  f 137.5741 14.55980 1.434023       0.2723828     0.9622592      0.4798325     1.658322       0.3308581     96.19315 31.41102 146.0582 16.70554 -49.86504      35.57706 
1 1 1 15 1  20  o 110.1729 12.76624 0.9044062      0.1906130     0.6967425      0.2735042     1.100530       0.2657960     90.13018 22.13710 118.7914 16.66245 -28.66123      27.70720 
1 1 1 15 1  21  o 198.4737 12.23262 2.898920       0.3336101     2.619399       0.4755810     3.169716       0.4680997     180.5312 19.38138 202.0049 16.93816 -21.47363      25.73984 
1 1 1 15 1  22  o 80.93201 13.71111 0.4979823      0.1477548     0.2700955      0.2144622     0.7038838      0.2038547     58.59513 20.94518 95.01974 16.11275 -36.42461      26.42577 
1 1 1 15 1  23  o 133.8379 12.51813 1.327219       0.2286563     1.040800       0.3253000     1.606937       0.3214717     110.9212 22.01570 143.9543 16.46898 -33.03301      27.49397 
1 1 1 15 1  24  o 50.86372 14.36667 0.2001844      0.1053465     0.1673716      0.1531740     0.2296363      0.1451173     48.51867 17.65352 54.09637 17.23963 -5.577702      24.67492 
1 1 1 15 1  25  o 73.99025 14.20573 0.4208668      0.1398597     0.4202628      0.2023158     0.4214198      0.1935577     70.96798 19.86204 71.39517 19.21153 -0.4271927     27.63301 
1 1 1 15 1  26  o 49.55730 14.43428 0.1896128      0.1047897     -0.1853105E-01 0.1546224     0.3664187      0.1425079     35.69680 15.81571 68.29893 15.46970 -32.60213      22.12347 
1 1 1 15 1  27  o 76.22840 14.56793 0.4487798      0.1477488     0.4756233      0.2141642     0.4244009      0.2040959     75.22619 20.19397 71.18373 19.95869 4.042458       28.39271 
1 1 1 15 1  28  o 81.12439 14.29817 0.5054368      0.1543135     0.4353435      0.2215104     0.5715289      0.2150954     71.47553 21.03433 83.31752 19.10385 -11.84199      28.41479 
1 1 1 15 1  29  o 104.5361 13.39826 0.8238684      0.1889476     0.5623419      0.2678486     1.082924       0.2665803     79.73156 23.03516 117.2853 16.95256 -37.55375      28.60084 
1 1 1 15 1  30  o 45.68642 15.63497 0.1542078      0.1186748     0.1424786      0.1495254     0.1741725      0.1950797     46.04654 17.31665 50.73553 19.60734 -4.688984      26.15940 
1 1 1 15 1  31  o 67.33270 19.59002 0.3803805      0.1931133     0.3467085      0.2777846     0.4118747      0.2686513     64.11655 23.70225 68.41149 23.51991 -4.294945      33.39136 
1 1 1 15 1  32  o 48.53958 17.62723 0.1715326      0.1526122     0.000000       0.000000      0.1715326      0.1526122     ?        ?        48.53958 17.62723 0.000000       17.62723 
1 1 1 15 1  33  o 58.46688 16.88903 0.2766277      0.1439946     0.2102792      0.2382981     0.3147869      0.1807193     54.52397 21.49557 61.48880 19.19230 -6.964832      28.81673 
1 1 1 15 1  34  o 43.02338 14.00073 0.1391320      0.9535985E-01 0.1551386      0.1288282     0.1197329      0.1418251     45.92699 16.25304 43.43885 16.73759 2.488132       23.33042 
1 1 1 15 1  35  o 34.13580 12.19491 0.7775599E-01  0.7269079E-01 0.1328051      0.9198537E-01 -0.1379085E-01 0.1186220     42.08929 13.75342 31.44592 13.89641 10.64337       19.55164 
1 1 1 15 1  36  o 31.39645 11.65730 0.6037784E-01  0.6733871E-01 0.2799539E-01  0.9228748E-01 0.9724894E-01  0.9847613E-01 31.04361 12.94709 38.29239 14.12093 -7.248779      19.15797 
1 1 1 15 1  37  o 27.65808 11.06497 0.3305279E-01  0.6402453E-01 0.8172649E-01  0.9337546E-01 -0.1013498E-01 0.8795609E-01 36.18840 13.66793 27.36006 12.03387 8.828344       18.21061 
1 1 1 15 1  38  o 53.64297 13.04570 0.2257293      0.9570042E-01 0.2818199      0.1373077     0.1727413      0.1334561     58.47274 16.36197 47.27660 16.55867 11.19614       23.27882 
1 1 1 15 1  39  o 33.09139 12.23208 0.7032690E-01  0.7397975E-01 0.1938478      0.1064871     -0.4490886E-01 0.1028538     49.20270 14.61142 27.20611 12.39914 21.99659       19.16330 
1 1 1 15 1  40  o 44.37823 13.98220 0.1550267      0.9566823E-01 0.2467453      0.1205736     -0.8427307E-03 0.1571824     54.80909 15.33104 35.91193 15.92684 18.89716       22.10668 
1 1 1 15 1  41  o 50.01889 14.31716 0.2028485      0.1039063     0.1816307      0.1312981     0.2384049      0.1699680     47.51431 16.43647 52.97395 18.67703 -5.459633      24.87949 
1 1 1 15 1  42  o 26.92714 11.44269 0.1374871E-01  0.7424633E-01 0.8015268E-02  0.9207052E-01 0.2441023E-01  0.1255517     28.95097 12.52785 33.98293 14.66744 -5.031961      19.28940 
1 1 1 15 1  43  o 66.99020 13.94802 0.3638358      0.1248279     0.3730332      0.1596316     0.3493600      0.2002661     65.20610 17.40442 60.86493 20.31306 4.341167       26.74947 
1 1 1 15 1  44  o 41.87883 14.09683 0.1394863      0.9645768E-01 0.2393935      0.1219580     -0.2740768E-01 0.1576276     52.96789 15.61327 33.91753 15.41593 19.05037       21.94140 
1 1 1 15 1  45  o 36.31454 13.62777 0.9312166E-01  0.9250976E-01 0.8373161E-01  0.1163392     0.1092688      0.1525599     36.99294 14.87447 41.10680 16.84588 -4.113853      22.47296 
1 1 1 15 1  46  o 52.07625 15.05741 0.2341574      0.1144065     0.2001694      0.1449863     0.2902406      0.1862435     47.76919 17.20604 54.76311 19.52466 -6.993927      26.02422 
1 1 1 15 1  47  o 38.95974 14.13388 0.1196725      0.9808079E-01 0.2016302      0.1229362     -0.2384714E-01 0.1626824     47.72383 15.91462 33.74113 15.45935 13.98270       22.18708 
1 1 1 15 1  48  o 31.80178 12.96289 0.5592024E-01  0.8972928E-01 0.7082685E-01  0.1111626     0.2804656E-01  0.1520081     34.77338 14.33006 35.04338 15.59605 -0.2700005     21.17989 
1 1 1 15 1  49  f 31.52174 12.96530 0.5454329E-01  0.9078202E-01 0.6728450E-01  0.1125779     0.3085299E-01  0.1535088     34.26650 14.29619 34.89281 15.59024 -0.6263084     21.15270 
1 1 1 15 1  50  o 46.18562 17.27953 0.2112992      0.1485108     0.1389453      0.1786427     0.3731816      0.2672109     41.30166 17.65483 53.20955 22.09751 -11.90789      28.28415 
1 1 1 15 1  51  o 35.34390 15.76886 0.5827451E-01  0.1564363     0.1054873      0.2210709     0.1092180E-01  0.2213982     39.94962 18.19577 36.56671 17.18327 3.382912       25.02700 
1 1 1 15 1  52  o 32.90049 14.94662 0.3314534E-01  0.1479537     0.000000       0.000000      0.3314534E-01  0.1479537     ?        ?        32.90049 14.94662 0.000000       14.94662 
1 1 1 15 1  53  f 63.55157 22.63416 0.6343216      0.2502270     0.7665582      0.3392122     0.4764651      0.3706184     59.22892 24.77219 47.48955 22.28916 11.73937       33.32369 
1 1 1 15 1  54  o 59.54326 19.93972 0.4992197      0.1929788     0.5620961      0.2336539     0.3642847      0.3422879     57.57282 21.64765 42.65897 20.42178 14.91385       29.76021 
1 1 1 15 1  55  o 43.93677 16.74916 0.2539053      0.1410428     0.4079561      0.1977974     0.9454886E-01  0.2011747     49.29062 19.53569 34.21044 16.16894 15.08018       25.35898 
1 1 1 15 1  56  o 33.27289 14.47384 0.1221879      0.1241894     0.2266939      0.1746047     0.1518997E-01  0.1766743     37.96743 16.81491 29.73538 14.34663 8.232042       22.10355 
1 1 1 15 1  57  o 38.75645 16.07381 0.2380348      0.1411158     0.1301414      0.1985154     0.3482472      0.2006373     32.10171 15.41642 40.03140 17.85935 -7.929695      23.59284 
1 1 1 15 1  58  o 29.85533 13.63574 0.1111496      0.1252373     0.9172204E-01  0.1774987     0.1304089      0.1767284     29.16134 14.14408 30.29846 14.54922 -1.137115      20.29125 
1 1 1 15 1  59  o 22.81842 11.03034 -0.1138314E-01 0.1056725     0.8743475E-02  0.1498267     -0.3130515E-01 0.1490631     25.14339 12.36351 24.12247 11.94841 1.020929       17.19362 
1 1 1 15 1  60  o 25.28955 12.09257 0.7834293E-01  0.1192510     0.8541028E-01  0.1681272     0.7118761E-01  0.1691705     25.52824 12.65272 25.22093 12.53306 0.3073082      17.80924 
1 1 1 15 1  61  o 22.45935 10.98658 0.4246317E-01  0.1136662     0.2079784      0.1560516     -0.1445937     0.1658961     26.72634 13.03021 20.21251 10.31224 6.513830       16.61712 
1 1 1 15 1  62  o 22.84310 11.24118 0.1178779      0.1246723     0.9156102E-01  0.1760135     0.1443749      0.1766146     21.78802 11.06832 22.52711 11.40535 -0.7390804     15.89307 
1 1 1 15 1  63  o 20.02771 10.04200 0.8244846E-01  0.1197667     0.3035941E-01  0.1692601     0.1346800      0.1694915     19.17858 9.832575 20.33239 10.37791 -1.153814      14.29617 
1 1 1 15 1  64  o 16.99558 8.642288 0.6187643E-02  0.1092322     0.6439462E-01  0.1555155     -0.5049110E-01 0.1534604     17.86505 9.175634 16.80862 8.652825 1.056435       12.61204 
1 1 1 15 1  65  f 15.74288 8.060737 0.1546480E-01  0.1099840     -0.1189899     0.1560443     0.1481980      0.1550421     15.02269 7.777936 16.92017 8.709620 -1.897479      11.67706 
1 1 1 15 1  66  o 13.46141 6.927686 -0.6583110E-01 0.9725077E-01 -0.8793821E-01 0.1396390     -0.4500894E-01 0.1355201     13.88998 7.196614 14.12088 7.309189 -0.2309008     10.25746 
1 1 1 15 1  67  o 13.42059 6.929552 0.2716120E-01  0.1122554     -0.1034166     0.1590797     0.1566722      0.1584285     12.90960 6.709663 13.99027 7.259637 -1.080677      9.885439 
1 1 1 15 1  68  o 12.45138 6.449688 0.1071352E-01  0.1104535     0.2401803E-01  0.1555561     -0.2815290E-02 0.1568618     12.54221 6.520784 12.45038 6.473689 0.9183693E-01  9.188540 
1 1 1 15 1  69  o 11.00808 5.708772 -0.7159235E-01 0.9380046E-01 0.4279068E-01  0.1330654     -0.1845712     0.1322461     11.74873 6.106766 10.92958 5.686364 0.8191500      8.344298 
1 1 1 15 1  70  o ?        ?        -0.2893856     0.4723111E-01 -0.3795328     0.5484838E-01 -0.3076074E-01 0.9290152E-01 ?        ?        10.39730 5.398744 0.000000       5.398744 
1 1 1 15 1  71  o 9.533169 4.964646 -0.1449432     0.1624835     0.000000       0.000000      -0.1449432     0.1624835     ?        ?        9.533169 4.964646 0.000000       4.964646 
1 1 1 15 1  72  o 8.422740 4.385881 -0.2207713     0.1399740     0.000000       0.000000      -0.2207713     0.1399740     ?        ?        8.422740 4.385881 0.000000       4.385881 
1 1 1 15 1  73  o 7.893801 4.108170 0.1141811      0.1491991     0.6866760E-01  0.1794689     0.2160182      0.2684552     7.835018 4.073072 ?        ?        0.000000       4.073072 
1 1 1 15 1  74  o 7.022357 3.654751 0.2884017E-01  0.1168425     0.6629089E-01  0.1613142     -0.1249215E-01 0.1694678     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  75  o 6.179828 3.212773 -0.1372879E-01 0.1112787     0.4522440E-02  0.1544232     -0.3344372E-01 0.1604960     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  76  o ?        ?        0.1930636      0.1429690     0.5375621E-01  0.1997083     0.3395132      0.2047638     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  77  o ?        ?        0.1430032      0.1372288     0.2365472      0.1928339     0.4702016E-01  0.1953317     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  78  o ?        ?        0.6331648E-01  0.1278128     0.4215033      0.1810408     -0.2926140     0.1804697     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  79  o ?        ?        -0.1222976     0.9749708E-01 -0.2755343     0.1373364     0.3339707E-01  0.1384335     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  80  o ?        ?        -0.1054742E-01 0.1193178     0.6372947E-01  0.1687560     -0.8479750E-01 0.1687256     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  81  o ?        ?        -0.5004044E-03 0.1204538     -0.2540409E-01 0.1719595     0.2349077E-01  0.1687797     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 1  82  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 2  0   o 47.37772 24.57426 0.2586825      0.2080499     0.2586825      0.2080499     0.000000       0.000000      47.37772 24.57426 47.37772 24.57426 0.000000       0.000000 
1 1 1 15 2  1   o 126.4197 17.92586 1.266940       0.3041547     1.222940       0.4277333     1.311943       0.4325872     114.5870 27.40304 119.5276 26.86404 -4.940605      38.37451 
1 1 1 15 2  2   o 73.36197 18.33437 0.4386819      0.1852096     0.4386819      0.1852096     0.000000       0.000000      73.36197 18.33437 ?        ?        0.000000       18.33437 
1 1 1 15 2  3   o 157.9144 17.57858 1.960090       0.3767990     1.960090       0.3767990     0.000000       0.000000      157.9144 17.57858 ?        ?        0.000000       17.57858 
1 1 1 15 2  4   o 123.2157 17.99245 1.205275       0.2970967     1.205275       0.2970967     0.000000       0.000000      123.2157 17.99245 ?        ?        0.000000       17.99245 
1 1 1 15 2  5   o 112.9254 18.09058 1.016100       0.2725636     1.016100       0.2725636     0.000000       0.000000      112.9254 18.09058 ?        ?        0.000000       18.09058 
1 1 1 15 2  6   o 86.70937 14.93663 0.5793297      0.1723821     0.7442459      0.2093601     0.2321654      0.3037593     97.76221 16.06738 58.85852 23.90506 38.90369       28.80300 
1 1 1 15 2  7   f 45.91300 12.10201 0.1600230      0.7780956E-01 0.1787781      0.1104276     0.1415294      0.1096552     48.32964 14.98900 44.11441 15.02941 4.215225       21.22624 
1 1 1 15 2  8   o 52.80642 14.40173 0.2164195      0.1079132     -0.2656642E-01 0.1987854     0.3179478      0.1284953     39.75996 17.75468 63.84248 14.85528 -24.08252      23.14969 
1 1 1 15 2  9   o 139.9460 12.15846 1.444803       0.2326159     1.254771       0.3285643     1.635772       0.3293744     124.1231 19.83838 144.9762 16.76247 -20.85306      25.97194 
1 1 1 15 2  10  o 84.79924 15.53072 0.5588605      0.1751518     0.4624870      0.3114282     0.6034479      0.2118288     72.11240 25.29291 86.40511 18.32273 -14.29271      31.23225 
1 1 1 15 2  11  o 32.95087 11.78846 0.7021282E-01  0.6794908E-01 0.3438630E-01  0.9397673E-01 0.1094611      0.9836222E-01 32.09538 13.19520 40.00607 14.19707 -7.910686      19.38221 
1 1 1 15 2  12  o 54.67633 14.15269 0.2317545      0.1076807     0.2186527      0.1509908     0.2453148      0.1536099     53.12107 17.63360 55.70512 17.73527 -2.584053      25.00968 
1 1 1 15 2  13  f 73.47886 16.15129 0.4260264      0.1594056     0.3228632      0.2785744     0.4762509      0.1943733     63.29770 23.66903 76.37331 18.60346 -13.07561      30.10501 
1 1 1 15 2  14  o 50.78292 17.54885 0.1939447      0.1496525     0.000000       0.000000      0.1939447      0.1496525     ?        ?        50.78292 17.54885 0.000000       17.54885 
1 1 1 15 2  15  o 61.12193 18.59130 0.3028561      0.1708841     0.3493297      0.2268440     0.2418818      0.2598348     64.71029 21.61887 57.94629 22.56300 6.764000       31.24843 
1 1 1 15 2  16  o 81.49000 19.65783 0.5494232      0.2186434     0.5934541      0.2971068     0.4974087      0.3229207     81.31417 24.46526 74.23412 25.77117 7.080055       35.53452 
1 1 1 15 2  17  o 78.97175 15.85889 0.4883507      0.1669285     0.3987428      0.2873564     0.5339913      0.2050801     68.16386 24.25765 80.90794 18.72705 -12.74409      30.64533 
1 1 1 15 2  18  o 101.1314 15.29885 0.7871622      0.2069650     0.7665300      0.3576720     0.7975481      0.2537642     90.44495 26.76017 98.97696 19.26083 -8.532013      32.97099 
1 1 1 15 2  19  f 67.64719 16.56609 0.3644764      0.1535080     0.4829627      0.2726313     0.3094739      0.1857516     74.07004 23.63220 61.57660 19.49189 12.49344       30.63355 
1 1 1 15 2  20  o 92.69398 13.53765 0.6489556      0.1681640     0.5773564      0.2390081     0.7191486      0.2366492     82.66301 20.92112 94.12371 18.86529 -11.46070      28.17077 
1 1 1 15 2  21  o 58.18118 14.60208 0.2639247      0.1171261     0.2724987      0.1665210     0.2555295      0.1647753     58.26736 18.45652 56.68810 18.40195 1.579266       26.06291 
1 1 1 15 2  22  o 42.55850 15.32131 0.1243380      0.1149488     0.2019167      0.2022663     0.8732993E-01  0.1397013     53.21654 20.11220 41.07894 16.37465 12.13760       25.93510 
1 1 1 15 2  23  o 57.22039 16.62501 0.2603234      0.1391660     0.2998298      0.2402735     0.2403796      0.1707167     61.04407 22.12553 55.34430 18.75327 5.699772       29.00386 
1 1 1 15 2  24  o 60.17914 17.19099 0.2909978      0.1499601     0.4865761      0.2583239     0.1915888      0.1841692     74.49192 22.89611 51.69347 19.26169 22.79845       29.92064 
1 1 1 15 2  25  o 66.34307 17.40238 0.3560439      0.1614005     0.6637056      0.2811951     0.2048833      0.1971017     86.83727 23.06239 53.13397 19.90124 33.70329       30.46200 
1 1 1 15 2  26  o 49.99113 15.14708 0.1938364      0.1135930     0.3705390      0.1559590     -0.5821462E-02 0.1657800     67.97298 16.72947 37.47598 16.50126 30.49700       23.49823 
1 1 1 15 2  27  o 64.60312 16.92231 0.3364635      0.1527572     0.4322591      0.1869269     0.1438739      0.2650423     72.40190 18.59895 52.41603 21.90770 19.98587       28.73793 
1 1 1 15 2  28  o 34.06718 13.85527 0.4697918E-01  0.1022197     -0.3103066E-01 0.1231895     0.2194245      0.1831575     31.17207 13.94416 53.60498 19.33470 -22.43291      23.83842 
1 1 1 15 2  29  o 59.98339 15.28608 0.2849795      0.1269770     0.3605071      0.1752446     0.2015010      0.1842381     66.01042 18.48936 52.16290 19.29909 13.84752       26.72661 
1 1 1 15 2  30  o 37.59709 13.64486 0.9380797E-01  0.9142412E-01 0.1783941      0.1222194     -0.1365214E-01 0.1377571     48.20153 15.85835 33.88342 14.97437 14.31811       21.81099 
1 1 1 15 2  31  o 39.66606 14.20165 0.1085178      0.9863372E-01 0.1218931      0.1326136     0.9195796E-01  0.1475585     43.08624 16.28479 41.71626 16.75948 1.369987       23.36824 
1 1 1 15 2  32  o 46.39994 16.18362 0.1609037      0.1274154     0.1093010      0.2015104     0.1952776      0.1644660     46.46493 19.23417 50.71185 18.31690 -4.246918      26.56054 
1 1 1 15 2  33  o 48.48507 17.78188 0.1736064      0.1558523     0.1532770      0.2015259     0.2038586      0.2458371     49.02683 19.62492 53.95607 21.64799 -4.929241      29.21939 
1 1 1 15 2  34  o 44.05664 15.78989 0.1411336      0.1219586     0.1862761      0.1444086     0.2885062E-01  0.2277493     49.12068 17.22361 43.80752 19.31242 5.313160       25.87706 
1 1 1 15 2  35  o 29.06065 12.22684 0.1957931E-01  0.8341298E-01 0.1200476E-01  0.1135911     0.2844385E-01  0.1228837     32.35888 13.95893 34.55079 14.70258 -2.191914      20.27357 
1 1 1 15 2  36  o 49.32565 15.27767 0.1945661      0.1147650     0.3474651      0.1583989     0.2560925E-01  0.1665090     64.29914 17.41184 38.49778 16.75310 25.80136       24.16275 
1 1 1 15 2  37  o 28.74374 11.63626 0.3418803E-01  0.7172341E-01 0.1455036      0.1135573     -0.3969080E-01 0.9251175E-01 43.79237 15.27797 25.96278 11.80413 17.82959       19.30683 
1 1 1 15 2  38  o 31.18058 12.49852 0.4647822E-01  0.8186325E-01 0.5253277E-01  0.1282529     0.4231548E-01  0.1063447     36.44049 15.23586 33.51685 13.93158 2.923641       20.64510 
1 1 1 15 2  39  o 35.03833 13.60594 0.7356604E-01  0.9428561E-01 0.1716588      0.1265910     -0.4864280E-01 0.1412979     46.44627 16.13505 31.70072 14.48057 14.74555       21.68010 
1 1 1 15 2  40  o 52.00675 16.07370 0.2272321      0.1271128     0.3415515      0.1767149     0.1046656      0.1829780     61.60912 18.93735 43.42842 18.18146 18.18070       26.25240 
1 1 1 15 2  41  o 48.23032 16.77918 0.1935943      0.1369239     0.4096702      0.2264902     0.6913757E-01  0.1718919     64.63816 21.60197 40.38827 17.29259 24.24989       27.67090 
1 1 1 15 2  42  f 34.68433 14.45941 0.5301041E-01  0.1150377     0.1502570      0.1853565     -0.7914108E-02 0.1467124     45.72939 18.63454 33.86209 15.17742 11.86730       24.03331 
1 1 1 15 2  43  o 49.43665 17.47020 0.2140279      0.1487951     0.1991104      0.2446572     0.2227844      0.1874465     49.70353 20.92747 50.21199 19.26892 -0.5084572     28.44733 
1 1 1 15 2  44  o 55.55152 18.27336 0.2890597      0.1622810     0.1254014      0.2657062     0.3864276      0.2049466     46.38968 20.63416 61.83767 20.54487 -15.44798      29.11804 
1 1 1 15 2  45  o 68.44238 16.10933 0.4148458      0.1497136     0.5951090      0.2013459     0.1919369      0.2238994     79.44719 18.66983 47.70722 20.04992 31.73997       27.39639 
1 1 1 15 2  46  o 76.34402 16.13386 0.5202804      0.1647549     0.5561601      0.2223141     0.4765663      0.2453881     72.45393 21.00149 64.08175 22.45295 8.372185       30.74406 
1 1 1 15 2  47  o 64.39333 18.71182 0.4184256      0.1762840     0.5203999      0.2792612     0.3508726      0.2272936     63.16730 23.68287 55.35610 21.22421 7.811203       31.80166 
1 1 1 15 2  48  o 44.00488 16.37895 0.1803534      0.1330968     0.3440619      0.1573211     -0.2318681     0.2496414     58.14546 17.86722 32.72894 16.06617 25.41652       24.02831 
1 1 1 15 2  49  o 32.54459 14.18245 0.4574363E-01  0.1196906     0.1542393E-01  0.1410644     0.1236785      0.2261627     32.38733 14.66641 41.17547 18.61512 -8.788139      23.69866 
1 1 1 15 2  50  o 24.03622 11.08118 -0.2899264E-01 0.8537682E-01 -0.1288314E-01 0.1104543     -0.5290359E-01 0.1345674     27.84823 12.75163 28.27281 13.32013 -0.4245796     18.43990 
1 1 1 15 2  51  o 56.47590 17.17113 0.3501541      0.1457956     0.4195722      0.1966751     0.2654713      0.2172256     56.15818 20.05954 44.99921 19.35781 11.15897       27.87669 
1 1 1 15 2  52  o 50.71878 18.32413 0.3321889      0.1646111     0.4571096      0.2619993     0.2507157      0.2115877     50.00935 21.37893 42.67923 18.72063 7.330120       28.41690 
1 1 1 15 2  53  o 38.01439 15.89845 0.1667992      0.1397070     0.4827294E-01  0.1651117     0.4655409      0.2621310     32.17475 15.02885 47.58608 20.85584 -15.41133      25.70666 
1 1 1 15 2  54  o 21.53383 10.21053 -0.4244332E-01 0.8146804E-01 -0.9043822E-01 0.1098317     0.1626412E-01  0.1214721     22.65437 11.01970 27.92057 12.99096 -5.266195      17.03522 
1 1 1 15 2  55  o 44.78757 16.94319 0.3039462      0.1436358     0.2735902      0.1964365     0.3388247      0.2105618     38.36492 17.34621 40.39223 18.13791 -2.027317      25.09731 
1 1 1 15 2  56  o 40.17896 16.22109 0.2670485      0.1389670     0.2888612      0.1902376     0.2420911      0.2034890     37.05934 16.87930 34.71196 16.36172 2.347382       23.50780 
1 1 1 15 2  57  o 55.55743 19.58565 0.6486053      0.1869027     0.7399400      0.2609981     0.5524676      0.2677726     43.65549 19.83998 37.25128 17.89352 6.404209       26.71709 
1 1 1 15 2  58  o 26.45478 12.67128 0.8178727E-01  0.1321743     0.6727564E-01  0.2118355     0.9103837E-01  0.1691364     26.45543 13.27734 26.79815 13.16888 -0.3427277     18.70046 
1 1 1 15 2  59  o 31.85340 15.05330 0.3505110      0.1742860     0.3169115      0.2847349     0.3706420      0.2203973     26.91367 13.71130 29.37662 14.54695 -2.462954      19.99034 
1 1 1 15 2  60  o 22.34424 11.05353 0.5653708E-01  0.1260826     0.1057110      0.2020645     0.2518499E-01  0.1613452     23.14431 11.76752 21.94406 11.08557 1.200256       16.16676 
1 1 1 15 2  61  o 21.97508 10.97640 0.1153128      0.1369132     0.5775310E-01  0.2201675     0.1516069      0.1748285     20.85532 10.71830 22.05531 11.18609 -1.199993      15.49228 
1 1 1 15 2  62  o 16.36555 8.311123 -0.6220955E-01 0.9869715E-01 0.1860486E-01  0.1521381     -0.1209362     0.1296914     18.44763 9.448322 16.52513 8.481488 1.922495       12.69671 
1 1 1 15 2  63  o 18.52391 9.468041 0.1552729      0.1456023     0.4065518      0.2371644     0.3273266E-02  0.1844559     18.91699 9.777918 17.02601 8.794446 1.890982       13.15104 
1 1 1 15 2  64  o 15.03452 7.728505 -0.1764179E-01 0.1161926     -0.1129657     0.1854481     0.4396311E-01  0.1490833     14.96574 7.767718 15.69162 8.097402 -0.7258797     11.22076 
1 1 1 15 2  65  o 14.94677 7.723281 0.1348134      0.1454217     0.4081859      0.2376639     -0.2878818E-01 0.1838567     15.22004 7.914577 14.07115 7.311885 1.148895       10.77517 
1 1 1 15 2  66  f 13.69782 7.103107 0.1278916      0.1441321     0.3745610      0.2341918     -0.2250654E-01 0.1828670     13.87344 7.221017 13.04494 6.785289 0.8284988      9.908745 
1 1 1 15 2  67  o 11.90258 6.168358 -0.3638274E-01 0.1040083     0.5718492E-01  0.1448299     -0.1360278     0.1494594     12.45399 6.471681 11.78050 6.127702 0.6734877      8.912429 
1 1 1 15 2  68  o 11.19381 5.815801 -0.3173249E-01 0.1147384     -0.2017454E-01 0.1391427     -0.5629092E-01 0.2028245     11.30766 5.882360 11.32276 5.896762 -0.1509857E-01 8.329103 
1 1 1 15 2  69  o 10.60724 5.524014 0.5574306E-01  0.1727542     -0.1316110     0.2549753     0.2147324      0.2348824     10.42876 5.427721 10.73137 5.587428 -0.3026047     7.789705 
1 1 1 15 2  70  o 9.439104 4.915862 -0.5348090E-01 0.1435920     0.000000       0.000000      -0.5348090E-01 0.1435920     ?        ?        9.439104 4.915862 0.000000       4.915862 
1 1 1 15 2  71  o 8.781817 4.573196 0.1216467      0.1412653     0.2337955      0.2279349     0.5170485E-01  0.1800040     8.750400 4.548806 8.660075 4.507007 0.9032440E-01  6.403495 
1 1 1 15 2  72  o 7.808720 4.063112 0.1510657      0.1523473     0.8643681E-01  0.1836919     0.2934767      0.2726770     7.732273 4.018406 ?        ?        0.000000       4.018406 
1 1 1 15 2  73  o 6.939292 3.607003 0.9758499E-01  0.1438584     0.8431184E-01  0.1723837     0.1280355      0.2610997     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  74  o 6.037935 3.140169 -0.5139085E-01 0.1004942     -0.1063485     0.1375144     0.1160030E-01  0.1472223     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  75  o ?        ?        0.2366344E-01  0.1158348     -0.2503449E-01 0.1600073     0.7728948E-01  0.1679084     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  76  o ?        ?        -0.3181862E-01 0.1062923     0.1007858E-01  0.1461695     -0.7883716E-01 0.1548455     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  77  o ?        ?        0.2026657      0.1429500     0.1202384      0.1987210     0.2910598      0.2057877     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  78  o ?        ?        -0.1538294     0.8416393E-01 -0.2256626     0.1150659     -0.7118058E-01 0.1234248     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  79  o ?        ?        -0.8667056E-01 0.9737498E-01 -0.2164425     0.1343916     0.5675556E-01  0.1412849     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  80  f ?        ?        0.1036419      0.1293098     0.9351198E-01  0.1790084     0.1146960      0.1869963     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 2  81  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 3  0   o 23.57780 15.10096 0.1344429E-01  0.1108045     0.000000       0.000000      0.1344429E-01  0.1108045     23.57780 15.10096 23.57780 15.10096 0.000000       0.000000 
1 1 1 15 3  1   o 135.2180 14.67290 1.387300       0.2695644     0.8090046      0.4652634     1.679514       0.3307306     88.69854 30.92596 147.1454 16.56569 -58.44689      35.08329 
1 1 1 15 3  2   o 47.84393 14.96725 0.1744971      0.1098394     0.3528141      0.1896231     0.8445352E-01  0.1347476     65.40587 19.51504 40.48244 16.09907 24.92342       25.29855 
1 1 1 15 3  3   o 112.2978 18.76174 1.013613       0.2806616     0.000000       0.000000      1.013613       0.2806616     ?        ?        112.2978 18.76174 0.000000       18.76174 
1 1 1 15 3  4   o 53.20100 15.70658 0.2211730      0.1233348     0.1838598      0.2128383     0.2400368      0.1513330     52.50745 20.42760 55.19095 17.60671 -2.683502      26.96819 
1 1 1 15 3  5   o 87.97858 15.42422 0.5995554      0.1805465     0.5797396      0.3104121     0.6096864      0.2219515     79.89468 25.18757 86.33910 19.12130 -6.444427      31.62337 
1 1 1 15 3  6   o 48.79992 15.26698 0.1823246      0.1142813     0.2794326      0.1972418     0.1332514      0.1402147     59.07579 20.15690 44.92759 16.79367 14.14820       26.23601 
1 1 1 15 3  7   o 106.3661 14.98183 0.8659823      0.2139455     0.4002274      0.3649435     1.109874       0.2640862     68.78783 26.75234 119.4742 16.44362 -50.68640      31.40192 
1 1 1 15 3  8   o 55.64513 15.67609 0.2433304      0.1255954     0.2323776      0.2155952     0.2489569      0.1545231     55.90410 20.83845 56.06226 17.78145 -0.1581612     27.39381 
1 1 1 15 3  9   o 44.73771 14.74592 0.1483727      0.1056560     0.9118351E-02  0.1781847     0.2238843      0.1312117     39.59774 17.27889 53.47017 16.29693 -13.87243      23.75184 
1 1 1 15 3  10  o 27.24014 11.35300 0.1705017E-01  0.7089175E-01 0.4111826E-01  0.1182493     0.3546295E-02  0.8857411E-01 35.49694 14.71732 28.77055 12.36833 6.726395       19.22433 
1 1 1 15 3  11  o 109.8606 18.75751 0.9715154      0.2743327     0.5256321      0.3881520     1.416541       0.3877784     75.25111 27.97827 129.2597 22.54607 -54.00860      35.93200 
1 1 1 15 3  12  o 33.41491 13.58046 0.4373727E-01  0.9811798E-01 -0.3202418E-02 0.1474312     0.8105677E-01  0.1314580     35.78689 15.66384 39.91158 15.89210 -4.124695      22.31400 
1 1 1 15 3  13  o 110.6784 12.67667 0.9122766      0.1902403     0.7740493      0.2678984     1.052886       0.2701972     96.22432 20.77127 115.4431 17.49874 -19.21880      27.15974 
1 1 1 15 3  14  o 27.28990 11.67435 0.4932867E-02  0.7822180E-01 0.9505635E-01  0.1487522     -0.2951331E-01 0.9196338E-01 42.39542 16.89759 26.88627 12.03597 15.50915       20.74592 
1 1 1 15 3  15  o 91.87058 13.21923 0.6356534      0.1628662     0.5407615      0.2290288     0.7327287      0.2316487     80.10407 20.59244 95.43142 18.24426 -15.32735      27.51184 
1 1 1 15 3  16  o 63.45110 14.59703 0.3134688      0.1252300     0.3966498      0.1770165     0.2301269      0.1771875     69.73096 18.19289 54.58910 19.08200 15.14185       26.36483 
1 1 1 15 3  17  o 79.89607 38.77439 0.4797210      1.339143      0.5146752      1.640164      0.4098268      2.319306      81.44101 40.20955 82.60044 41.76331 -1.159431      57.97397 
1 1 1 15 3  18  o 20.13795 9.289145 -0.4313769E-01 0.6011935E-01 -0.7515822E-01 0.7973788E-01 -0.9578194E-03 0.9151730E-01 22.01282 10.33391 28.83041 12.48291 -6.817589      16.20533 
1 1 1 15 3  19  o 28.80238 11.89101 0.2439147E-01  0.7672169E-01 0.1980026E-01  0.1050340     0.2964318E-01  0.1123354     32.25246 13.65293 33.89103 14.22044 -1.638569      19.71354 
1 1 1 15 3  20  o 55.89701 14.86406 0.2449868      0.1167129     0.2112595      0.1617686     0.2816030      0.1685543     52.50372 18.23961 58.95142 18.55714 -6.447697      26.02020 
1 1 1 15 3  21  o 60.33482 16.62675 0.2918614      0.1429623     0.3321321      0.1706413     0.1970413      0.2618424     63.63645 18.38632 55.09254 22.25765 8.543907       28.86971 
1 1 1 15 3  22  o 14.50367 7.145023 -0.1058515     0.5082333E-01 -0.1224391     0.5475071E-01 -0.2515707E-02 0.1366542     14.69450 7.271879 34.49935 15.09089 -19.80484      16.75157 
1 1 1 15 3  23  o 85.77934 16.52244 0.5841154      0.1886027     0.6604533      0.2260882     0.4094338      0.3420042     89.65033 18.86114 68.19011 26.06087 21.46022       32.17004 
1 1 1 15 3  24  o 64.24979 16.84522 0.3337949      0.1512782     0.4477416      0.2463356     0.2648016      0.1916813     71.30666 22.43186 57.33234 19.85802 13.97432       29.95879 
1 1 1 15 3  25  o 75.31987 17.03408 0.4585753      0.1730099     0.4716794      0.2858687     0.4510013      0.2173306     71.96207 24.26792 72.39886 20.70012 -0.4367828     31.89713 
1 1 1 15 3  26  o 33.48428 13.77156 0.4090936E-01  0.1024151     0.1222556      0.1651213     -0.9950150E-02 0.1305631     45.16505 17.86550 33.22301 14.63556 11.94205       23.09493 
1 1 1 15 3  27  o 51.08409 16.63234 0.2056107      0.1345706     0.1735041      0.2216572     0.2243527      0.1693528     51.43002 20.58360 53.33796 18.65476 -1.907944      27.77921 
1 1 1 15 3  28  o 30.44460 12.94438 0.1569730E-01  0.9510563E-01 0.1910899      0.1527286     -0.9539077E-01 0.1215481     49.95201 17.69452 27.50201 12.86211 22.45000       21.87533 
1 1 1 15 3  29  o 44.44790 17.42054 0.1239951      0.1556701     0.000000       0.000000      0.1239951      0.1556701     ?        ?        44.44790 17.42054 0.000000       17.42054 
1 1 1 15 3  30  o 53.10911 18.83569 0.2254890      0.1731138     0.000000       0.000000      0.2254890      0.1731138     ?        ?        53.10911 18.83569 0.000000       18.83569 
1 1 1 15 3  31  o 69.83429 20.08253 0.4282930      0.2040085     0.6221437      0.2871940     0.2308434      0.2898475     80.71958 24.00126 56.16034 23.14105 24.55924       33.34019 
1 1 1 15 3  32  o 35.92913 14.88642 0.5147060E-01  0.1208647     0.1861929      0.1682879     -0.9205206E-01 0.1736974     49.42953 18.41359 33.64616 15.61441 15.78337       24.14270 
1 1 1 15 3  33  o 61.56548 17.48256 0.3209859      0.1555669     0.5273772      0.2634518     0.2104936      0.1927620     74.17297 23.17611 51.73337 19.61421 22.43959       30.36197 
1 1 1 15 3  34  o 53.25043 15.56010 0.2331000      0.1215987     0.5920943      0.2489333     0.1205945      0.1393561     79.51566 21.95141 42.52874 16.53383 36.98691       27.48149 
1 1 1 15 3  35  o 29.65171 12.54760 0.2111893E-01  0.8866557E-01 0.2089828      0.1229252     -0.1826200     0.1280137     50.37737 15.84581 24.67910 11.97963 25.69827       19.86457 
1 1 1 15 3  36  o 38.53936 14.56980 0.1010699      0.1061689     0.1358685      0.1465223     0.6260315E-01  0.1540516     43.76926 16.97103 39.02383 16.52783 4.745434       23.68934 
1 1 1 15 3  37  o 30.18058 12.25059 0.4101535E-01  0.7972494E-01 -0.4621212E-02 0.1253993     0.7197617E-01  0.1032868     32.07671 14.22585 35.45151 14.09600 -3.374794      20.02678 
1 1 1 15 3  38  o 28.59516 12.11477 0.2044596E-01  0.8281001E-01 0.9491149E-01  0.1052578     -0.1005114     0.1341507     37.59784 14.43668 28.24661 13.30526 9.351223       19.63282 
1 1 1 15 3  39  o 44.46423 15.39639 0.1611049      0.1152207     0.1236539      0.1520953     0.2115446      0.1765103     42.39583 17.02128 49.65174 18.78254 -7.255913      25.34774 
1 1 1 15 3  40  o 21.00213 9.799132 -0.5270329E-01 0.6988378E-01 -0.8491610E-01 0.8475902E-01 0.1568595E-01  0.1234996     21.83424 10.37087 32.65520 14.31358 -10.82096      17.67579 
1 1 1 15 3  41  o 29.96952 12.93120 0.1917842E-01  0.9752617E-01 0.4190569E-01  0.1378642     -0.3587520E-02 0.1379815     35.41195 15.32684 32.79074 14.70653 2.621216       21.24133 
1 1 1 15 3  42  o 41.02484 16.18061 0.1277691      0.1350785     -0.7073463E-01 0.2058087     0.2779883      0.1790367     35.33852 16.59365 53.33534 19.12959 -17.99682      25.32372 
1 1 1 15 3  43  o 14.60202 7.289089 -0.1476067     0.5996590E-01 -0.1743439     0.7113881E-01 -0.8197110E-01 0.1114599     15.83597 7.910274 25.56455 12.06808 -9.728582      14.42952 
1 1 1 15 3  44  o 22.95402 10.60987 -0.4088749E-01 0.7902790E-01 -0.5123386E-01 0.8836234E-01 0.4677850E-03  0.1766601     23.77301 11.06742 35.21222 16.12470 -11.43921      19.55745 
1 1 1 15 3  45  o 49.23398 17.10280 0.2394548      0.1422312     0.3098721      0.1676318     0.5846445E-01  0.2687476     54.19885 18.58200 41.10616 19.19169 13.09269       26.71350 
1 1 1 15 3  46  o 35.71817 14.73809 0.9113070E-01  0.1177676     0.6491512E-01  0.1368218     0.1660821      0.2313479     34.93004 15.19342 43.16828 19.22411 -8.238235      24.50319 
1 1 1 15 3  47  o 36.95977 14.71879 0.1146704      0.1127780     0.7961813E-01  0.1464152     0.1658060      0.1768436     35.74334 15.62817 41.54935 17.65817 -5.806011      23.58073 
1 1 1 15 3  48  o 25.89812 11.73066 -0.4696675E-02 0.9030665E-01 -0.6292664E-01 0.1135795     0.9538372E-01  0.1489022     25.46030 12.06760 35.98951 15.74743 -10.52921      19.83957 
1 1 1 15 3  49  o 35.59982 15.25165 0.1085389      0.1338578     -0.3316770E-01 0.2109631     0.2040381      0.1731855     32.74934 15.76942 41.60062 17.56641 -8.851276      23.60622 
1 1 1 15 3  50  o 17.08486 8.467618 -0.1373338     0.7527845E-01 -0.1868858     0.1031811     -0.8094199E-01 0.1100723     19.45416 9.687030 23.61675 11.37665 -4.162588      14.94211 
1 1 1 15 3  51  f 32.49265 14.14727 0.9446820E-01  0.1188625     0.1656816      0.1378689     -0.1117247     0.2345968     37.18918 15.68681 29.91675 14.84815 7.272430       21.59962 
1 1 1 15 3  52  o 24.86818 11.63341 -0.6357669E-02 0.9954800E-01 -0.1268209E-01 0.1138629     0.1415770E-01  0.2050746     25.65137 12.13610 30.46227 14.87047 -4.810907      19.19416 
1 1 1 15 3  53  o 26.63836 12.17128 0.3832110E-01  0.9990548E-01 0.9099019E-02  0.1297968     0.8080062E-01  0.1564941     26.72448 12.73339 30.24675 14.28491 -3.522270      19.13629 
1 1 1 15 3  54  o 26.15097 12.41870 0.2931410E-01  0.1214152     -0.1272432     0.1829352     0.1525763      0.1623213     24.59291 12.34202 31.37909 14.73514 -6.786184      19.22108 
1 1 1 15 3  55  o 32.63516 14.99431 0.2195422      0.1545087     0.1713930      0.2441730     0.2516972      0.1995389     29.23970 14.61302 31.77586 15.30971 -2.536158      21.16430 
1 1 1 15 3  56  o 16.52019 8.160966 -0.7701825E-01 0.6788846E-01 -0.3052689E-01 0.8213933E-01 -0.1772375     0.1205981     19.76443 9.594440 18.75931 9.489365 1.005119       13.49449 
1 1 1 15 3  57  o 29.42040 13.64483 0.2235253      0.1323399     0.1692219      0.1781895     0.2903246      0.1976306     25.78214 12.82035 27.71067 13.73148 -1.928535      18.78603 
1 1 1 15 3  58  o 20.03133 9.923356 0.1406974E-02  0.1029490     0.1532511      0.1499016     -0.1341490     0.1416337     23.90378 11.86470 18.74058 9.558291 5.163200       15.23588 
1 1 1 15 3  59  o 22.67165 11.32931 0.1907680      0.1465870     0.2471643      0.2273496     0.1506413      0.1917721     21.70182 11.14386 21.20642 10.84132 0.4954014      15.54734 
1 1 1 15 3  60  o 20.78209 10.53125 0.2303235      0.1527517     0.2976775      0.2385767     0.1835305      0.1988550     19.71091 10.17445 19.38665 9.973213 0.3242588      14.24726 
1 1 1 15 3  61  o 16.47557 8.411322 0.1359541E-01  0.1119377     0.7755102E-01  0.1637640     -0.4248890E-01 0.1533556     17.18324 8.850112 16.21742 8.362348 0.9658279      12.17593 
1 1 1 15 3  62  o 15.47817 7.954296 0.4327872E-01  0.1219813     -0.6113598E-01 0.1831224     0.1265639      0.1635477     14.96127 7.764283 15.95669 8.243357 -0.9954224     11.32418 
1 1 1 15 3  63  o 14.41499 7.441663 0.6608847E-01  0.1282850     -0.1942248E-01 0.1914510     0.1357670      0.1728209     13.97983 7.267244 14.59425 7.573207 -0.6144199     10.49601 
1 1 1 15 3  64  o 13.39236 6.939785 0.7244096E-01  0.1308805     -0.3124961E-01 0.1961502     0.1556535      0.1757169     12.97913 6.754301 13.55381 7.044592 -0.5746803     9.759449 
1 1 1 15 3  65  o 11.83927 6.132325 -0.2926352E-01 0.9953013E-01 0.5623052E-01  0.1361745     -0.1273184     0.1458353     12.37537 6.427857 11.70648 6.088845 0.6688929      8.853891 
1 1 1 15 3  66  o 11.37625 5.918756 0.1489433E-01  0.1435382     -0.4453252E-01 0.1790859     0.1216548      0.2400354     11.26567 5.866072 11.51087 5.994729 -0.2452040     8.387346 
1 1 1 15 3  67  o 10.74059 5.593632 0.1809492      0.2022950     0.000000       0.000000      0.1809492      0.2022950     ?        ?        10.74059 5.593632 0.000000       5.593632 
1 1 1 15 3  68  o 9.695916 5.048908 0.1149500      0.1858384     0.000000       0.000000      0.1149500      0.1858384     ?        ?        9.695916 5.048908 0.000000       5.048908 
1 1 1 15 3  69  o 8.964962 4.667370 0.2995068      0.1681466     0.5067383      0.2601715     0.1508584      0.2203494     ?        ?        8.746470 4.547390 0.000000       4.547390 
1 1 1 15 3  70  f 7.800416 4.060718 0.6181303E-01  0.1331483     -0.4914679E-02 0.1976368     0.1172692      0.1801729     ?        ?        7.810905 4.060427 0.000000       4.060427 
1 1 1 15 3  71  f ?        ?        -0.2949625     0.5632520E-01 -0.3375545     0.6032038E-01 -0.5008736E-02 0.1573853     ?        ?        6.965657 3.618694 0.000000       3.618694 
1 1 1 15 3  72  o ?        ?        0.2381674      0.1412607     0.3022055      0.1946506     0.1669153      0.2053219     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  73  o ?        ?        0.2408487E-01  0.1151636     -0.2842501E-01 0.1511808     0.9668163E-01  0.1777604     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  74  o ?        ?        0.1515319E-01  0.1116261     0.8231761E-02  0.1459336     0.2491343E-01  0.1732956     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  75  f ?        ?        0.7758926E-01  0.1209098     0.1277139      0.1587140     0.8268996E-02  0.1866464     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  76  o ?        ?        0.1733276E-01  0.1137964     -0.1888400E-01 0.1495585     0.6712963E-01  0.1753709     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  77  o ?        ?        -0.4834284E-01 0.1001017     -0.2006358E-01 0.1307087     -0.8845492E-01 0.1556711     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  78  o ?        ?        0.9704350E-01  0.1253664     0.1376929      0.1660691     0.4318545E-01  0.1911557     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 3  79  o ?        ?        -0.5564261E-01 0.2260454     0.000000       0.000000      -0.5564261E-01 0.2260454     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  0   o 85.69015 32.62745 0.7919482      0.3633166     0.000000       0.000000      0.7919482      0.3633166     85.69015 32.62745 85.69015 32.62745 0.000000       0.000000 
1 1 1 15 4  1   o 64.64671 23.16786 0.3515469      0.2625544     0.3515469      0.2625544     0.000000       0.000000      64.64671 23.16786 ?        ?        0.000000       23.16786 
1 1 1 15 4  2   o 57.11578 21.70315 0.2445115      0.2363382     0.2445115      0.2363382     0.000000       0.000000      57.11578 21.70315 ?        ?        0.000000       21.70315 
1 1 1 15 4  3   o 63.29055 22.93328 0.3319581      0.2581109     0.3319581      0.2581109     0.000000       0.000000      63.29055 22.93328 ?        ?        0.000000       22.93328 
1 1 1 15 4  4   o 78.23927 25.44017 0.5645065      0.3148741     0.5645065      0.3148741     0.000000       0.000000      78.23927 25.44017 ?        ?        0.000000       25.44017 
1 1 1 15 4  5   o 120.9260 29.13319 1.418664       0.4806974     1.418664       0.4806974     0.000000       0.000000      120.9260 29.13319 ?        ?        0.000000       29.13319 
1 1 1 15 4  6   f 85.75557 19.78242 0.6124017      0.2294767     0.5962716      0.3275208     0.6279556      0.3216179     79.89621 25.94443 82.21640 25.59362 -2.320190      36.44375 
1 1 1 15 4  7   o 136.9216 14.76764 1.430552       0.2747841     1.315023       0.3357803     1.664782       0.4781125     126.6461 19.85367 134.7648 26.63729 -8.118675      33.22219 
1 1 1 15 4  8   o 112.5327 15.38047 0.9778801      0.2327364     1.003257       0.2855212     0.9276322      0.4017680     110.7628 19.37395 97.39423 28.23343 13.36856       34.24144 
1 1 1 15 4  9   o 138.3337 12.54043 1.423017       0.2369366     0.8771333      0.3330795     1.982208       0.3371150     98.57361 24.56056 160.6437 15.38585 -62.07013      28.98181 
1 1 1 15 4  10  o 41.36620 13.51726 0.1261030      0.8885349E-01 0.7541147E-01  0.1295059     0.1711874      0.1221335     39.15548 15.71138 47.56668 15.86260 -8.411198      22.32643 
1 1 1 15 4  11  o 36.25874 12.82315 0.8891717E-01  0.8017940E-01 -0.7051487E-01 0.1154599     0.2374115      0.1114291     27.97587 12.89357 55.07930 14.46526 -27.10343      19.37751 
1 1 1 15 4  12  o 36.88808 14.56960 0.7033553E-01  0.1096638     -0.1867556     0.1599418     0.2984255      0.1506509     29.09228 13.93572 60.72200 17.19055 -31.62972      22.12961 
1 1 1 15 4  13  o 58.57405 16.12231 0.2741910      0.1345126     0.2487123      0.1630882     0.3284004      0.2378870     55.73425 18.31804 62.57983 22.09235 -6.845589      28.69882 
1 1 1 15 4  14  o 29.49396 12.71268 0.3898133E-02  0.9405830E-01 0.7653122E-02  0.1303985     -0.1745719E-03 0.1358031     34.36353 14.88955 34.49249 15.06700 -0.1289520     21.18285 
1 1 1 15 4  15  o 73.18057 19.81130 0.4532902      0.2050977     0.4239139      0.2856043     0.4845705      0.2947141     68.84230 24.21724 72.73598 24.63996 -3.893684      34.54855 
1 1 1 15 4  16  o 88.67595 13.50353 0.5993727      0.1601239     0.5325236      0.2234999     0.6698711      0.2295190     78.96546 20.36508 89.90749 19.07836 -10.94203      27.90556 
1 1 1 15 4  17  o 123.5573 15.22811 1.182593       0.2543097     0.5206898      0.4360296     1.523829       0.3130735     73.06458 28.99036 139.0066 16.64155 -65.94198      33.42727 
1 1 1 15 4  18  o 63.96011 16.62490 0.3317549      0.1481807     0.2173409      0.2585761     0.3877018      0.1808160     55.50348 22.22547 68.07748 18.67355 -12.57399      29.02883 
1 1 1 15 4  19  o 36.53288 13.17941 0.8925186E-01  0.8510810E-01 0.6517243E-01  0.1175443     0.1157860      0.1233904     37.03153 14.92970 41.90444 15.73619 -4.872906      21.69156 
1 1 1 15 4  20  o 42.39577 14.10224 0.1340632      0.9655249E-01 0.1172786      0.1346979     0.1518016      0.1384720     42.70164 16.34669 45.93317 16.77394 -3.231529      23.42177 
1 1 1 15 4  21  o 38.27994 13.69084 0.1009980      0.9164291E-01 0.1347031      0.1260289     0.6317910E-01  0.1334988     43.71888 15.99688 38.26710 15.72909 5.451778       22.43445 
1 1 1 15 4  22  o 53.33024 14.99660 0.2267870      0.1150523     0.1786041      0.1580782     0.2810601      0.1677712     48.89575 17.91206 58.09511 18.53885 -9.199360      25.77849 
1 1 1 15 4  23  o 40.99749 14.16306 0.1229204      0.9747322E-01 0.1792123      0.1372279     0.6559948E-01  0.1384765     48.21085 16.79636 38.75148 15.98460 9.459373       23.18674 
1 1 1 15 4  24  o 44.16510 14.80664 0.1487766      0.1064117     0.2184376      0.1526728     0.8296350E-01  0.1483962     52.03564 17.73403 40.70716 16.64043 11.32849       24.31871 
1 1 1 15 4  25  o 19.60269 9.252234 -0.6677219E-01 0.6546679E-01 -0.2114078     0.1203819     -0.6033392E-02 0.7801114E-01 22.88315 11.21758 26.07762 11.40464 -3.194473      15.99687 
1 1 1 15 4  26  o 61.65666 17.16547 0.3191374      0.1515268     0.1745967      0.2647705     0.3895339      0.1847779     52.10621 21.84598 66.90891 19.07196 -14.80270      28.99977 
1 1 1 15 4  27  o 47.33440 15.91513 0.1777692      0.1229445     0.1249079      0.1511850     0.2809809      0.2112536     43.64329 17.14840 56.99786 20.73301 -13.35457      26.90586 
1 1 1 15 4  28  o 39.60035 14.76652 0.1082577      0.1082785     0.1211335      0.1327098     0.8261793E-01  0.1872722     42.17218 16.20625 42.89862 18.19896 -0.7264366     24.36893 
1 1 1 15 4  29  o 35.43140 13.63461 0.7747661E-01  0.9401862E-01 -0.1315006E-01 0.1299350     0.1770705      0.1362118     32.31855 14.39866 47.20374 16.71151 -14.88520      22.05892 
1 1 1 15 4  30  o 34.67916 13.61929 0.6953590E-01  0.9531547E-01 -0.1155017     0.1314949     0.2743980      0.1383598     27.51507 13.02500 56.82255 16.59617 -29.30748      21.09700 
1 1 1 15 4  31  o 30.26043 12.47222 0.3587434E-01  0.8422358E-01 0.9486207E-01  0.1134127     -0.3665966E-01 0.1257626     38.33639 14.91238 30.36620 13.78949 7.970192       20.31081 
1 1 1 15 4  32  o 35.45389 14.38869 0.6621845E-01  0.1099627     0.7581136E-01  0.1726840     0.5967539E-01  0.1426159     40.83390 17.40388 37.67376 15.92631 3.160145       23.59115 
1 1 1 15 4  33  o 45.92999 16.53957 0.1717904      0.1339643     0.2685434      0.2191899     0.1140994      0.1692553     54.19662 20.82755 42.76479 17.65900 11.43183       27.30617 
1 1 1 15 4  34  o 104.4681 16.85407 0.9367591      0.2348489     1.041795       0.3899408     0.8769739      0.2941884     92.29560 28.08633 92.90118 23.04472 -0.6055756     36.33044 
1 1 1 15 4  35  o 36.75574 14.42737 0.8893090E-01  0.1069101     0.2487893      0.1565358     -0.5082633E-01 0.1463636     52.32407 17.95549 31.44520 14.50105 20.87887       23.07986 
1 1 1 15 4  36  o 59.43160 15.91297 0.3106451      0.1331898     0.1703289      0.2491684     0.3667760      0.1575940     47.76858 20.64005 63.30144 17.46206 -15.53286      27.03581 
1 1 1 15 4  37  o 43.36426 16.10072 0.1564386      0.1284570     0.1582446      0.1958645     0.1550754      0.1701654     45.16901 18.85190 44.24310 17.91894 0.9259148      26.00928 
1 1 1 15 4  38  o 49.25138 17.23083 0.2252064      0.1444914     0.1198027      0.2233203     0.3011040      0.1895023     43.54793 19.16395 54.33734 19.65628 -10.78941      27.45226 
1 1 1 15 4  39  o 54.34064 17.83338 0.2895858      0.1545938     0.3741540      0.2378121     0.2276935      0.2034457     56.81440 21.72719 48.30862 19.58339 8.505779       29.25030 
1 1 1 15 4  40  o 49.73401 18.61633 0.2535800      0.1724200     0.2526765      0.2255440     0.2548504      0.2674558     48.84245 20.29426 48.80874 21.23633 0.3371048E-01  29.37411 
1 1 1 15 4  41  o 25.52896 11.40663 -0.4993141E-02 0.8217914E-01 -0.2155727E-01 0.1205414     0.9391181E-02  0.1123303     28.95937 13.28274 29.87552 13.34327 -0.9161587     18.82748 
1 1 1 15 4  42  o 53.89301 17.94588 0.3118007      0.1563415     0.4360946      0.2396053     0.2196488      0.2063118     56.80968 21.78910 45.24787 19.14335 11.56182       29.00401 
1 1 1 15 4  43  o 25.16614 11.42705 -0.1243861E-01 0.8633694E-01 -0.8638946E-02 0.1105701     -0.1837425E-01 0.1381971     28.06854 12.81684 30.04114 13.93654 -1.972605      18.93406 
1 1 1 15 4  44  o 39.27683 15.83289 0.1508284      0.1321782     0.1410232      0.1954020     0.1590998      0.1794691     39.24109 17.55716 39.96466 17.39216 -0.7235718     24.71318 
1 1 1 15 4  45  o 38.81350 14.84523 0.1514400      0.1110292     0.3479171      0.1971886     0.6023358E-01  0.1343503     49.42530 19.53202 32.64625 14.58583 16.77905       24.37717 
1 1 1 15 4  46  o 29.65317 12.86438 0.5399456E-01  0.9757882E-01 0.4637982E-01  0.1728717     0.5755516E-01  0.1182112     32.76231 15.32760 30.99155 13.77509 1.770761       20.60797 
1 1 1 15 4  47  o 39.18630 17.70430 0.2300178      0.2041866     0.000000       0.000000      0.2300178      0.2041866     ?        ?        39.18630 17.70430 0.000000       17.70430 
1 1 1 15 4  48  f 24.28506 12.05748 -0.1562602     0.1552543     0.000000       0.000000      -0.1562602     0.1552543     ?        ?        24.28506 12.05748 0.000000       12.05748 
1 1 1 15 4  49  o 31.26303 14.09700 0.1036203      0.1287239     0.1078232      0.1495807     0.9162283E-01  0.2527264     31.57231 14.59462 31.80311 15.71734 -0.2308006     21.44849 
1 1 1 15 4  50  o 30.45766 13.39797 0.1084915      0.1090569     0.1142969      0.1437052     0.1006075      0.1674669     30.57273 14.19320 30.08503 14.37018 0.4877014      20.19775 
1 1 1 15 4  51  o 14.54157 7.132654 -0.6703652E-01 0.4889924E-01 -0.1004545     0.5383338E-01 0.9060284E-01  0.1169214     14.03361 6.989410 28.21505 12.99308 -14.18144      14.75371 
1 1 1 15 4  52  o 20.83249 10.09871 -0.2772450E-01 0.9014742E-01 -0.8848585E-01 0.1134765     0.7622162E-01  0.1484213     20.53392 10.21392 26.37945 12.82669 -5.845535      16.39659 
1 1 1 15 4  53  o 20.26972 9.999450 -0.4120893E-01 0.1007095     -0.1180928     0.1360438     0.5200569E-01  0.1497970     20.32375 10.25656 24.27114 12.01414 -3.947392      15.79672 
1 1 1 15 4  54  f 14.18749 6.862923 -0.3230827E-01 0.4108535E-01 0.3387118E-02  0.4447519E-01 -0.2400544     0.1072947     17.15762 7.940738 15.88255 8.118760 1.275072       11.35648 
1 1 1 15 4  55  o 17.85587 8.956600 -0.5364694E-01 0.9575183E-01 -0.9173007E-01 0.1274091     -0.4223277E-02 0.1451449     18.41792 9.362378 20.21034 10.24410 -1.792425      13.87789 
1 1 1 15 4  56  o 20.77209 10.46341 0.1226760      0.1380136     0.1753194E-01  0.2056361     0.2088590      0.1861734     19.33992 9.958713 21.16139 10.80715 -1.821472      14.69594 
1 1 1 15 4  57  o 16.95893 8.604936 -0.4973733E-02 0.1042006     0.1454175E-02  0.1441195     -0.1201449E-01 0.1508334     17.45777 8.958826 17.36745 8.926257 0.9032249E-01  12.64668 
1 1 1 15 4  58  o 16.58301 8.478683 0.4949949E-01  0.1176047     0.7016761E-01  0.1698089     0.3044763E-01  0.1630342     16.65932 8.598586 16.38974 8.458052 0.2695808      12.06127 
1 1 1 15 4  59  o 12.82267 6.589805 -0.1165532     0.8349635E-01 -0.1656409     0.1082845     -0.4456559E-01 0.1311321     13.19957 6.815092 14.59662 7.534914 -1.397046      10.15975 
1 1 1 15 4  60  o 13.81860 7.132552 0.4625396E-02  0.1169708     -0.2965480E-01 0.1731550     0.3339917E-01  0.1586397     13.79546 7.167014 14.04299 7.286421 -0.2475319     10.22047 
1 1 1 15 4  61  o 13.36214 6.923977 0.7524830E-01  0.1301348     0.1083599      0.1985795     0.5032486E-01  0.1722855     13.28273 6.911064 13.15418 6.839267 0.1285496      9.723085 
1 1 1 15 4  62  o 11.79794 6.131579 -0.7311473E-01 0.1319373     -0.2084043     0.1634020     0.1803134      0.2236416     11.57781 6.026192 12.46944 6.493108 -0.8916273     8.858636 
1 1 1 15 4  63  o 11.21426 5.815350 -0.1124500E-01 0.9680174E-01 0.1064670      0.1122012     -0.3539574     0.1914485     11.88983 6.168088 10.81220 5.631082 1.077630       8.351910 
1 1 1 15 4  64  o 10.98883 5.720699 0.1949630      0.1569155     0.2051740      0.2445118     0.1878130      0.2046065     10.76449 5.604442 10.81388 5.631671 -0.4939079E-01 7.945155 
1 1 1 15 4  65  o 9.701961 5.050352 0.5723721E-02  0.1178096     0.6479748E-01  0.1711269     -0.4749751E-01 0.1624290     9.798988 5.103080 9.635868 5.018177 0.1631203      7.157061 
1 1 1 15 4  66  o 9.062404 4.718825 0.2507333      0.1656126     0.4490360      0.2621806     0.1190751      0.2136290     8.992882 4.671923 8.865063 4.610744 0.1278191      6.563980 
1 1 1 15 4  67  o 7.835022 4.076497 -0.7050131E-01 0.1542857     0.000000       0.000000      -0.7050131E-01 0.1542857     ?        ?        7.835022 4.076497 0.000000       4.076497 
1 1 1 15 4  68  o ?        ?        0.3219853      0.3151027     0.000000       0.000000      0.3219853      0.3151027     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  69  o 6.381238 3.319403 0.1788184E-01  0.1075610     0.4927795E-01  0.1222235     -0.8992741E-01 0.2264878     6.403973 3.328945 ?        ?        0.000000       3.328945 
1 1 1 15 4  70  o 5.485191 2.856290 -0.7725354E-01 0.5761736E-01 -0.2121385E-01 0.6368041E-01 -0.3302175     0.1352967     5.622549 2.927694 ?        ?        0.000000       2.927694 
1 1 1 15 4  71  o ?        ?        0.6239808E-01  0.1083179     0.1443189      0.1355596     -0.8227556E-01 0.1801473     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  72  o ?        ?        0.5387258E-01  0.9971573E-01 0.2254613      0.1225444     -0.2823863     0.1715481     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  73  o ?        ?        0.1355248      0.1226778     0.1712754      0.1560671     0.7771499E-01  0.1984586     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  74  o ?        ?        -0.2743891     0.3323959E-01 -0.2122664     0.3911959E-01 -0.4357102     0.6303975E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  75  o ?        ?        0.5088224E-01  0.1093025     0.9596974E-01  0.1364195     -0.2995885E-01 0.1826688     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  76  o ?        ?        0.1816035      0.1542832     0.3161095      0.2296018     0.7087079E-01  0.2083254     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 4  77  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 5  0   o ?        ?        -0.2187195     0.3653983E-01 0.000000       0.000000      -0.2187195     0.3653983E-01 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 15 5  1   o 22.47592 10.12854 -0.2690563E-01 0.6633217E-01 0.9501207E-02  0.8845276E-01 -0.7369054E-01 0.1002704     28.98781 12.40789 25.39627 11.81193 3.591534       17.13119 
1 1 1 15 5  2   o 34.96769 14.02330 0.5897854E-01  0.1031100     0.6512473E-01  0.1410548     0.5192557E-01  0.1511022     39.00283 16.11446 38.99248 16.43359 0.1035309E-01  23.01605 
1 1 1 15 5  3   o 30.61332 12.80659 0.2557010E-01  0.9068611E-01 0.1143388E-01  0.1191455     0.4503797E-01  0.1398203     33.06245 14.27921 37.50065 15.80670 -4.438198      21.30135 
1 1 1 15 5  4   o 34.69196 13.99228 0.5580236E-01  0.1032932     -0.1353334E-01 0.1338398     0.1579304      0.1624348     33.20911 14.71395 47.33509 17.99122 -14.12598      23.24187 
1 1 1 15 5  5   o 42.28568 17.62361 0.7933907E-01  0.1708303     0.000000       0.000000      0.7933907E-01  0.1708303     ?        ?        42.28568 17.62361 0.000000       17.62361 
1 1 1 15 5  6   o 41.86082 17.45425 0.7673813E-01  0.1676680     0.000000       0.000000      0.7673813E-01  0.1676680     ?        ?        41.86082 17.45425 0.000000       17.45425 
1 1 1 15 5  7   o 17.18662 8.292233 -0.8683358E-01 0.5902596E-01 0.000000       0.000000      -0.8683358E-01 0.5902596E-01 ?        ?        17.18662 8.292233 0.000000       8.292233 
1 1 1 15 5  8   o 24.22071 11.28770 -0.7125323E-01 0.9230060E-01 0.000000       0.000000      -0.7125323E-01 0.9230060E-01 ?        ?        24.22071 11.28770 0.000000       11.28770 
1 1 1 15 5  9   o 49.40040 20.20685 0.1525793      0.2189951     0.000000       0.000000      0.1525793      0.2189951     ?        ?        49.40040 20.20685 0.000000       20.20685 
1 1 1 15 5  10  o 38.63816 16.93500 0.1616177E-01  0.1728541     0.000000       0.000000      0.1616177E-01  0.1728541     ?        ?        38.63816 16.93500 0.000000       16.93500 
1 1 1 15 5  11  o 29.83863 13.76301 -0.7106224E-01 0.1319449     0.000000       0.000000      -0.7106224E-01 0.1319449     ?        ?        29.83863 13.76301 0.000000       13.76301 
1 1 1 15 5  12  o 28.67219 13.29402 -0.7780462E-01 0.1254911     0.000000       0.000000      -0.7780462E-01 0.1254911     ?        ?        28.67219 13.29402 0.000000       13.29402 
1 1 1 15 5  13  o 17.04086 8.395385 -0.1417179     0.7019906E-01 0.000000       0.000000      -0.1417179     0.7019906E-01 ?        ?        17.04086 8.395385 0.000000       8.395385 
1 1 1 15 5  14  o 22.68063 10.90203 -0.1285335     0.9978447E-01 0.000000       0.000000      -0.1285335     0.9978447E-01 ?        ?        22.68063 10.90203 0.000000       10.90203 
1 1 1 15 5  15  o 53.61235 18.64169 0.2395423      0.1689978     0.1620231      0.2215997     0.3472982      0.2612671     49.53348 20.30148 61.58357 22.94283 -12.05009      30.63533 
1 1 1 15 5  16  o 49.72020 17.55670 0.1987474      0.1502442     0.000000       0.000000      0.1987474      0.1502442     ?        ?        49.72020 17.55670 0.000000       17.55670 
1 1 1 15 5  17  o 35.44260 14.13272 0.6751358E-01  0.1040982     0.000000       0.000000      0.6751358E-01  0.1040982     ?        ?        35.44260 14.13272 0.000000       14.13272 
1 1 1 15 5  18  o 39.85518 15.17215 0.1068671      0.1156331     0.000000       0.000000      0.1068671      0.1156331     ?        ?        39.85518 15.17215 0.000000       15.17215 
1 1 1 15 5  19  o 91.80682 42.91401 3.042205       1.350091      0.000000       0.000000      3.042205       1.350091      ?        ?        91.80682 42.91401 0.000000       42.91401 
1 1 1 15 5  20  o 46.81678 17.26375 0.1714149      0.1471866     0.000000       0.000000      0.1714149      0.1471866     ?        ?        46.81678 17.26375 0.000000       17.26375 
1 1 1 15 5  21  o 54.44568 18.25295 0.2577695      0.1617121     0.1704349      0.2344410     0.3370380      0.2233525     49.51746 20.64234 59.92432 21.37972 -10.40686      29.71866 
1 1 1 15 5  22  o 35.87424 14.71825 0.6318989E-01  0.1166219     0.1011654      0.1734579     0.3186248E-01  0.1575448     42.56375 17.75068 37.31053 16.26502 5.253216       24.07566 
1 1 1 15 5  23  f 24.41608 10.78916 -0.1007550E-01 0.7149408E-01 0.1069445      0.8888774E-01 -0.2244898     0.1203203     38.02829 13.49592 22.22984 10.95944 15.79845       17.38532 
1 1 1 15 5  24  o 62.62969 15.38124 0.3303457      0.1320489     0.3457310      0.1825896     0.3134754      0.1911983     61.05420 19.32515 57.97095 19.84538 3.083248       27.70018 
1 1 1 15 5  25  o 23.18262 10.50581 -0.2791540E-01 0.7253468E-01 -0.1148146     0.9709569E-01 0.8182275E-01  0.1091116     22.54124 10.81358 36.55299 14.50251 -14.01175      18.09023 
1 1 1 15 5  26  o 34.14797 13.18081 0.7466541E-01  0.8807366E-01 0.1178376      0.1172332     0.1872668E-01  0.1334458     40.14186 15.27784 33.92918 14.87523 6.212685       21.32334 
1 1 1 15 5  27  f 63.18170 15.63906 0.3443753      0.1357075     0.1926388      0.1840345     0.5252212      0.2009131     47.89563 18.88778 74.59411 19.34341 -26.69848      27.03545 
1 1 1 15 5  28  o 45.83689 15.04174 0.1778835      0.1099823     0.1405339      0.1467205     0.2257887      0.1661649     42.89029 16.88029 49.98064 18.35617 -7.090347      24.93779 
1 1 1 15 5  29  o 31.30004 12.81400 0.4832840E-01  0.8816012E-01 -0.4470840E-01 0.1159507     0.1758063      0.1357262     28.16578 12.95876 45.38937 16.60201 -17.22359      21.06078 
1 1 1 15 5  30  o 42.20076 14.61210 0.1485116      0.1037805     0.1355717      0.1368080     0.1660508      0.1592766     41.66937 16.33121 44.62560 17.57996 -2.956230      23.99507 
1 1 1 15 5  31  o 18.42630 8.648841 -0.4775376E-01 0.5581579E-01 -0.4678379E-01 0.6610025E-01 -0.5016385E-01 0.1041931     20.49711 9.552325 26.17787 12.12902 -5.680759      15.43892 
1 1 1 15 5  32  o 26.39885 11.48456 0.9101555E-02  0.7820207E-01 -0.8743656E-02 0.9645540E-01 0.4333330E-01  0.1335919     27.47213 12.31033 34.41115 14.99000 -6.939014      19.39701 
1 1 1 15 5  33  o 30.56087 12.68669 0.4651328E-01  0.8802753E-01 0.7286307E-01  0.9770954E-01 -0.6702702E-01 0.2028259     33.69868 13.60280 34.33659 16.23058 -0.6379128     21.17706 
1 1 1 15 5  34  o 14.96015 7.294050 -0.7979292E-01 0.4891612E-01 -0.7367013E-01 0.5113793E-01 -0.1456968     0.1677737     15.76892 7.634851 28.80087 13.91653 -13.03194      15.87327 
1 1 1 15 5  35  o 28.69314 12.18061 0.3397870E-01  0.8398023E-01 0.7815597E-01  0.9256861E-01 -0.1715049     0.1996425     33.36091 13.31941 30.40302 14.80415 2.957895       19.91406 
1 1 1 15 5  36  o 9.948101 5.008596 -0.9395556E-01 0.3140632E-01 -0.8660358E-01 0.3307820E-01 -0.1612187     0.1000526     10.70119 5.352660 20.47849 10.07614 -9.777302      11.40963 
1 1 1 15 5  37  o 42.60957 15.34794 0.1781815      0.1153634     0.1154976      0.1508652     0.2664464      0.1790215     37.73986 16.18066 47.52071 18.66411 -9.780846      24.70147 
1 1 1 15 5  38  o 28.64030 12.22728 0.4054724E-01  0.8549400E-01 0.3542627E-01  0.1089215     0.4876526E-01  0.1379816     30.15150 13.32065 32.80721 14.71074 -2.655703      19.84555 
1 1 1 15 5  39  o 47.07421 14.98925 0.2282572      0.1097218     0.1458165      0.1649313     0.2937103      0.1469593     38.33041 16.67689 49.90456 17.38197 -11.57415      24.08841 
1 1 1 15 5  40  o 35.02722 13.62296 0.1161425      0.9463611E-01 0.2245087      0.1209932     -0.5462380E-01 0.1518851     44.57854 15.75371 28.21503 13.53259 16.36350       20.76801 
1 1 1 15 5  41  o 31.71186 13.64378 0.8128113E-01  0.1079420     -0.8001686E-01 0.1379574     0.3359105      0.1733344     25.89535 12.53834 47.70405 18.46923 -21.80870      22.32314 
1 1 1 15 5  42  o 17.11276 8.249154 -0.6155026E-01 0.5810454E-01 -0.4841259E-01 0.6593666E-01 -0.1072058     0.1229177     19.09904 9.093346 23.34466 11.42076 -4.245615      14.59873 
1 1 1 15 5  43  o 25.98614 12.22938 -0.1384031E-02 0.1128623     -0.1728006     0.1719197     0.1284427      0.1496171     24.78303 12.36658 33.30700 15.09173 -8.523975      19.51134 
1 1 1 15 5  44  o 24.40619 11.75463 -0.3314585E-01 0.1173707     0.000000       0.000000      -0.3314585E-01 0.1173707     ?        ?        24.40619 11.75463 0.000000       11.75463 
1 1 1 15 5  45  o 31.36783 14.75904 0.1462038      0.1642286     0.8391672E-02  0.2118936     0.3535308      0.2598975     28.05568 13.95567 34.80766 16.93604 -6.751980      21.94516 
1 1 1 15 5  46  o 21.29661 10.45795 -0.6693166E-01 0.1060745     -0.1240128     0.1250656     0.7938399E-01  0.2002334     21.12131 10.54072 28.19420 13.94431 -7.072889      17.48001 
1 1 1 15 5  47  o 25.57248 12.11055 0.6146706E-01  0.1139167     0.1203049      0.1647706     0.7591683E-02  0.1576691     27.66342 13.46558 24.74400 12.26203 2.919422       18.21206 
1 1 1 15 5  48  o 26.89436 11.60394 0.9916582E-01  0.7852774E-01 0.3116056      0.9943519E-01 -0.2529225     0.1280112     44.97378 14.26392 17.78567 9.072683 27.18810       16.90482 
1 1 1 15 5  49  o 27.44771 13.19425 0.2123310      0.1462091     0.1817789      0.2232029     0.2352936      0.1935045     24.86497 12.61414 26.19972 13.08093 -1.334745      18.17216 
1 1 1 15 5  50  o 20.68556 10.19917 0.2784165E-01  0.1042961     0.1411300E-01  0.1460691     0.4212049E-01  0.1489674     20.94454 10.57671 21.45416 10.81504 -0.5096207     15.12719 
1 1 1 15 5  51  o 18.83351 9.330817 0.1182233E-01  0.9109820E-01 0.1004079      0.1216006     -0.1014917     0.1375296     21.32057 10.60001 17.94496 9.174531 3.375612       14.01900 
1 1 1 15 5  52  f 14.51463 7.324943 -0.7259192E-01 0.6938880E-01 -0.7081667E-01 0.8462505E-01 -0.7623442E-01 0.1212186     15.49992 7.852780 16.74557 8.565529 -1.245643      11.62043 
1 1 1 15 5  53  o 14.00946 7.080955 -0.6100364E-01 0.6634748E-01 -0.2877858E-01 0.7792877E-01 -0.1459005     0.1264872     15.39212 7.767152 15.25607 7.853693 0.1360512      11.04578 
1 1 1 15 5  54  f 16.18436 8.284768 0.5264726E-01  0.1154969     0.6971943E-01  0.1615948     0.3481836E-01  0.1651372     16.21243 8.368814 15.97679 8.254693 0.2356434      11.75487 
1 1 1 15 5  55  o 15.08878 7.771168 0.5895755E-01  0.1261438     -0.4853829E-01 0.1814959     0.1594070      0.1754465     14.51769 7.538360 15.47024 8.017079 -0.9525528     11.00456 
1 1 1 15 5  56  o 14.28622 7.372429 0.9721658E-01  0.1237953     0.1346781      0.1805306     0.6396586E-01  0.1700822     14.14117 7.346171 13.89871 7.218520 0.2424593      10.29919 
1 1 1 15 5  57  o 13.28775 6.877941 0.7440690E-01  0.1199915     0.9822175E-01  0.1736417     0.5264125E-01  0.1660030     13.19347 6.859779 13.05371 6.785705 0.1397667      9.648957 
1 1 1 15 5  58  o 11.34056 5.867227 -0.6237760E-01 0.8686247E-01 -0.3448728E-01 0.1007305     -0.1432659     0.1715446     11.70276 6.064970 11.69517 6.087941 0.7586479E-02  8.593421 
1 1 1 15 5  59  o 11.20974 5.827855 -0.2219171E-01 0.1240198     -0.1046891     0.1511206     0.1479792      0.2170432     11.04683 5.749813 11.56195 6.021558 -0.5151186     8.325834 
1 1 1 15 5  60  o 10.10864 5.250929 -0.7139467E-01 0.9164786E-01 -0.5151667E-01 0.1179074     -0.1017358     0.1456701     10.36689 5.393390 10.33498 5.381191 0.3191280E-01  7.618784 
1 1 1 15 5  61  o 7.976617 4.121387 -0.9340792E-01 0.4124068E-01 -0.7042540E-01 0.4450213E-01 -0.2331864     0.1097494     8.452127 4.364111 9.058383 4.716137 -0.6062565     6.425529 
1 1 1 15 5  62  o 8.912331 4.641163 0.1438638E-01  0.1208568     -0.1431704     0.1701551     0.1747981      0.1716898     8.748462 4.554300 9.085576 4.730248 -0.3371143     6.566346 
1 1 1 15 5  63  o 7.799521 4.060894 -0.8356501E-01 0.8344734E-01 -0.1044421     0.1031849     -0.4409986E-01 0.1418692     7.856119 4.091309 8.034319 4.182393 -0.1782002     5.850746 
1 1 1 15 5  64  o 7.294610 3.796351 -0.7774758E-01 0.1275576     0.000000       0.000000      -0.7774758E-01 0.1275576     ?        ?        7.294610 3.796351 0.000000       3.796351 
1 1 1 15 5  65  o ?        ?        0.1800020      0.2015856     0.000000       0.000000      0.1800020      0.2015856     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  66  o ?        ?        -0.1671746     0.4502042E-01 -0.1600329     0.4783071E-01 -0.2226474     0.1333052     5.343552 2.782874 ?        ?        0.000000       2.782874 
1 1 1 15 5  67  o ?        ?        -0.5424993E-01 0.1036112     -0.6222524E-01 0.1216362     -0.3316241E-01 0.1977890     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  68  o ?        ?        0.1781893E-01  0.1195548     -0.6645190E-01 0.1691217     0.1019986      0.1690302     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  69  o ?        ?        0.9076651E-01  0.1387247     -0.9300485E-01 0.2035354     0.2502009      0.1895798     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  70  f ?        ?        0.3891975E-01  0.6289220E-01 0.1331822      0.7224448E-01 -0.2560933     0.1278074     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  71  o ?        ?        -0.1226043     0.4942994E-01 -0.1143178     0.5375464E-01 -0.1679754     0.1257826     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  72  o ?        ?        -0.4169480E-01 0.4746049E-01 -0.7008510E-02 0.5135039E-01 -0.2449676     0.1243095     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  73  f ?        ?        -0.1537656E-01 0.2321060     0.000000       0.000000      -0.1537656E-01 0.2321060     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 5  74  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  4   o 33.58381 14.77463 0.1167881E-01  0.1326490     0.000000       0.000000      0.1167881E-01  0.1326490     ?        ?        33.58381 14.77463 0.000000       14.77463 
1 1 1 15 6  5   o 24.68863 11.51223 -0.6609430E-01 0.9622359E-01 0.000000       0.000000      -0.6609430E-01 0.9622359E-01 ?        ?        24.68863 11.51223 0.000000       11.51223 
1 1 1 15 6  6   o 16.32100 7.963406 -0.9969864E-01 0.5861054E-01 0.000000       0.000000      -0.9969864E-01 0.5861054E-01 ?        ?        16.32100 7.963406 0.000000       7.963406 
1 1 1 15 6  7   o 35.34090 14.67963 0.5912594E-01  0.1179552     0.1069924      0.1690511     0.1371208E-01  0.1646631     42.11279 17.53989 36.49082 16.23681 5.621967       23.90150 
1 1 1 15 6  8   o 47.75780 19.74441 0.1736751      0.2119578     0.000000       0.000000      0.1736751      0.2119578     ?        ?        47.75780 19.74441 0.000000       19.74441 
1 1 1 15 6  9   o 21.26290 10.16736 -0.9607308E-01 0.8431060E-01 0.000000       0.000000      -0.9607308E-01 0.8431060E-01 ?        ?        21.26290 10.16736 0.000000       10.16736 
1 1 1 15 6  10  f 52.15002 21.19812 0.2460001      0.2391117     0.000000       0.000000      0.2460001      0.2391117     ?        ?        52.15002 21.19812 0.000000       21.19812 
1 1 1 15 6  11  o 47.21814 19.63987 0.1706163      0.2115487     0.1706163      0.2115487     0.000000       0.000000      47.21814 19.63987 ?        ?        0.000000       19.63987 
1 1 1 15 6  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  15  o 49.25159 18.31876 0.2193394      0.1664313     0.3398097      0.2352574     0.9863945E-01  0.2354815     56.93597 21.64901 43.94644 19.49198 12.98953       29.13103 
1 1 1 15 6  16  o 20.61966 9.774702 -0.7276487E-01 0.7457328E-01 -0.1260095     0.9752758E-01 0.2189151E-02  0.1157143     21.94236 10.60442 30.74557 13.64903 -8.803205      17.28438 
1 1 1 15 6  17  o 30.03046 13.21032 0.8860571E-02  0.1060281     0.4547837E-01  0.1489460     -0.2875775E-01 0.1509672     36.18975 15.79460 32.51193 14.89475 3.677818       21.70998 
1 1 1 15 6  18  f 41.79670 15.38745 0.1439952      0.1168638     0.1772854      0.1401197     0.6792104E-01  0.2118165     45.13709 16.80450 40.92887 18.29834 4.208221       24.84393 
1 1 1 15 6  19  o 17.69836 8.351676 -0.5075325E-01 0.5329248E-01 -0.7273601E-02 0.5913116E-01 -0.2388778     0.1229974     22.14723 9.798046 21.77047 10.79588 0.3767681      14.57919 
1 1 1 15 6  20  o 25.86427 11.76231 -0.2555456E-01 0.9193137E-01 0.1724355E-01  0.1088840     -0.1318017     0.1715578     30.62426 13.43124 30.11044 14.42594 0.5138206      19.71056 
1 1 1 15 6  21  o 22.59775 10.65964 -0.6921222E-01 0.8666869E-01 -0.8631134E-01 0.1001076     -0.1804257E-01 0.1731755     23.74461 11.27610 34.26953 15.79290 -10.52492      19.40531 
1 1 1 15 6  22  o 27.81884 12.10440 0.1466552E-01  0.8690097E-01 0.3833819E-01  0.9681229E-01 -0.8351481E-01 0.1971601     30.72335 13.06139 33.42565 15.85932 -2.702299      20.54551 
1 1 1 15 6  23  o 31.10658 12.57787 0.5792752E-01  0.8369383E-01 0.2521517      0.1201593     -0.1250894     0.1166410     52.05761 15.53522 24.18081 11.66424 27.87680       19.42672 
1 1 1 15 6  24  o 27.76504 12.59883 -0.1336242E-01 0.1047307     -0.5429635E-02 0.1271766     -0.3007808E-01 0.1846104     30.47539 13.84975 33.87130 15.84421 -3.395906      21.04411 
1 1 1 15 6  25  o 16.38960 8.080747 -0.1229877     0.6545181E-01 -0.1442932     0.7319346E-01 -0.3795290E-01 0.1462260     16.99800 8.411119 30.45461 14.19777 -13.45660      16.50223 
1 1 1 15 6  26  o 42.96294 18.61062 0.1776477      0.2036090     0.1776477      0.2036090     0.000000       0.000000      42.96294 18.61062 ?        ?        0.000000       18.61062 
1 1 1 15 6  27  o 37.45227 15.35014 0.1161137      0.1266907     0.1161137      0.1266907     0.000000       0.000000      37.45227 15.35014 ?        ?        0.000000       15.35014 
1 1 1 15 6  28  f 34.91196 15.09114 0.8254869E-01  0.1333141     -0.1704473E-01 0.1782032     0.2091270      0.2008999     32.62677 15.35830 43.23687 18.60790 -10.61010      24.12740 
1 1 1 15 6  29  o 48.01109 18.87291 0.2914260      0.1831969     0.6792078E-01  0.2514650     0.5442125      0.2674304     37.76774 17.91696 57.04618 22.68202 -19.27844      28.90487 
1 1 1 15 6  30  o 40.88223 17.00176 0.1837922      0.1584967     0.8081812E-01  0.2167615     0.3021053      0.2323456     36.69887 17.16742 45.60485 19.81778 -8.905983      26.21955 
1 1 1 15 6  31  o 39.36194 16.58456 0.1727423      0.1538203     0.4305648E-01  0.2074823     0.3310062      0.2292059     34.39587 16.30500 45.72167 19.77574 -11.32580      25.63070 
1 1 1 15 6  32  o 23.05338 10.53410 -0.1009503E-01 0.7485471E-01 0.2846556E-01  0.8525793E-01 -0.1398094     0.1563713     26.87101 11.83262 25.87359 12.70391 0.9974174      17.36088 
1 1 1 15 6  33  o 12.59856 6.192535 -0.6710704E-01 0.3747035E-01 -0.6197756E-01 0.3920203E-01 -0.1213498     0.1274802     13.29635 6.493154 23.68123 11.59503 -10.38488      13.28931 
1 1 1 15 6  34  o 30.99679 13.31740 0.8218213E-01  0.1025789     -0.4481267E-01 0.1313227     0.2809401      0.1642892     26.11920 12.54218 43.09079 17.54969 -16.97159      21.57076 
1 1 1 15 6  35  o 9.369426 4.715856 -0.7959612E-01 0.2772917E-01 -0.7157089E-01 0.2916827E-01 -0.1549570     0.8938305E-01 10.12661 5.059391 18.09159 9.009782 -7.964982      10.33313 
1 1 1 15 6  36  o 33.48109 13.86059 0.1314548      0.1046556     0.1118975      0.1341175     0.1619049      0.1673496     31.85423 14.37406 33.99693 15.61442 -2.142694      21.22319 
1 1 1 15 6  37  o 31.60370 13.36508 0.1160969      0.1004922     0.1171758      0.1264507     0.1142475      0.1655601     31.32996 14.06309 31.12373 14.69718 0.2062283      20.34153 
1 1 1 15 6  38  o 32.90848 15.21585 0.1936681      0.1627269     0.4945681E-01  0.2188756     0.3718925      0.2433219     28.60182 14.22025 35.35403 17.00145 -6.752213      22.16449 
1 1 1 15 6  39  o 28.03289 13.26476 0.8862569E-01  0.1361150     0.1574162E-01  0.1804620     0.1848095      0.2073100     26.52424 13.13961 30.42439 14.87325 -3.900150      19.84598 
1 1 1 15 6  40  o 24.03953 11.17136 0.3998812E-01  0.8938347E-01 0.6638212E-01  0.1034045     -0.3802353E-01 0.1777733     25.75731 11.98494 24.37517 12.22358 1.382135       17.11884 
1 1 1 15 6  41  o 27.48853 12.91251 0.1330295      0.1248255     -0.6693652E-03 0.1457565     0.5008599      0.2417618     23.35199 11.60921 32.06128 15.75302 -8.709290      19.56863 
1 1 1 15 6  42  o 27.43927 12.89148 0.1643778      0.1245056     0.1445958      0.1462577     0.2164443      0.2372810     25.95488 12.64543 25.74764 13.05587 0.2072353      18.17588 
1 1 1 15 6  43  o 27.72194 13.26086 0.2520406      0.1437049     0.1665343      0.1704698     0.4620340      0.2671474     24.36197 12.18050 25.95697 13.22896 -1.595001      17.98249 
1 1 1 15 6  44  o 23.55232 11.49241 0.1463562      0.1221174     0.1558545      0.1430163     0.1207931      0.2346218     23.13085 11.49932 21.66765 11.13618 1.463200       16.00777 
1 1 1 15 6  45  o 19.01082 9.580725 0.1584724E-01  0.1164622     0.3198480E-01  0.1463415     -0.1202723E-01 0.1923321     19.50627 9.927145 19.28390 9.914717 0.2223663      14.03032 
1 1 1 15 6  46  o 19.71269 9.950473 0.1220861      0.1284845     0.1585916      0.1888154     0.9060489E-01  0.1753410     19.35751 9.949005 18.84897 9.683614 0.5085411      13.88363 
1 1 1 15 6  47  o 16.92820 8.613654 0.1779407E-01  0.1098330     -0.7219161E-01 0.1561893     0.1058202      0.1544794     16.40492 8.458203 17.96310 9.221789 -1.558174      12.51330 
1 1 1 15 6  48  o 15.86919 7.977506 0.2852200E-01  0.7807596E-01 0.8581925E-01  0.1108667     -0.2785307E-01 0.1099709     16.80497 8.560833 15.23125 7.816896 1.573720       11.59274 
1 1 1 15 6  49  o 15.99031 8.171262 0.9898013E-01  0.1079123     0.7732883E-01  0.1405042     0.1301215      0.1685062     15.45687 7.971696 15.65011 8.102188 -0.1932459     11.36633 
1 1 1 15 6  50  o 14.63537 7.504784 0.7472175E-01  0.9911095E-01 0.9915736E-01  0.1272127     0.3698171E-01  0.1580958     14.60947 7.536811 14.10523 7.317474 0.5042400      10.50471 
1 1 1 15 6  51  o 10.95020 5.628120 -0.8940250E-01 0.5999480E-01 -0.7595602E-01 0.6934240E-01 -0.1294350     0.1196467     11.56913 5.948473 12.26116 6.360933 -0.6920280     8.708950 
1 1 1 15 6  52  o 11.64460 6.007269 -0.5783200E-01 0.8081149E-01 -0.8914673E-01 0.9740331E-01 0.1132829E-01  0.1447531     11.67173 6.046161 12.52401 6.507494 -0.8522835     8.882767 
1 1 1 15 6  53  o 12.39811 6.450928 0.2268056      0.1738605     0.3696927      0.2195094     -0.1372118E-01 0.2847989     12.43748 6.476447 11.84288 6.166452 0.5945978      8.942567 
1 1 1 15 6  54  o 11.07841 5.757742 0.1111378E-01  0.1166540     0.5073317E-01  0.1365594     -0.9585326E-01 0.2243844     11.21548 5.834267 10.98118 5.718552 0.2343025      8.169486 
1 1 1 15 6  55  o 10.03360 5.209631 -0.4358311E-01 0.8599849E-01 -0.2037723E-02 0.1079731     -0.1156680     0.1422252     10.33063 5.371497 10.10157 5.259765 0.2290621      7.517853 
1 1 1 15 6  56  o 9.800534 5.102143 0.6949563E-01  0.1234688     0.8336891E-01  0.1740939     0.5545618E-01  0.1751334     9.748472 5.076578 9.710879 5.057151 0.3759289E-01  7.165642 
1 1 1 15 6  57  o 8.248561 4.288572 -0.9101562E-01 0.6748269E-01 -0.7942935E-01 0.7864659E-01 -0.1233582     0.1314001     8.444505 4.393449 8.632468 4.495794 -0.1879635     6.286060 
1 1 1 15 6  58  o 8.234664 4.288291 0.9604441E-01  0.1287332     0.1365524      0.1830823     0.5643190E-01  0.1810473     8.203770 4.266805 8.147415 4.237423 0.5635452E-01  6.013433 
1 1 1 15 6  59  o 7.454681 3.882221 0.1228179E-01  0.1008943     0.6835518E-01  0.1317412     -0.6726135E-01 0.1569078     7.512910 3.910326 7.396700 3.845896 0.1162105      5.484666 
1 1 1 15 6  60  o 6.822114 3.547259 0.1214693      0.1337399     0.2016774      0.1952254     0.5054139E-01  0.1835845     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  61  o ?        ?        0.1648100E-01  0.1697383     0.000000       0.000000      0.1648100E-01  0.1697383     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  62  o ?        ?        -0.1422176     0.1679288     0.000000       0.000000      -0.1422176     0.1679288     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  63  o ?        ?        0.2834312      0.1823693     0.4394251      0.2394139     0.6780229E-01  0.2814810     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  64  o ?        ?        -0.1816474E-01 0.1095622     -0.1245723     0.1523878     0.9569561E-01  0.1576342     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  65  o ?        ?        -0.4117160E-01 0.5775408E-01 -0.3924569E-02 0.6578984E-01 -0.1663152     0.1205916     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  66  o ?        ?        0.1594682      0.1384127     0.2496169      0.1996954     0.7611570E-01  0.1920204     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  67  o ?        ?        0.3742094E-01  0.1216047     0.1887813E-01  0.1694613     0.5710629E-01  0.1746040     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  68  o ?        ?        -0.2607177     0.4267290E-01 -0.2735244     0.4758108E-01 -0.2080729     0.9647008E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  69  o ?        ?        -0.1453588     0.1875954     0.000000       0.000000      -0.1453588     0.1875954     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 6  70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  8   o 39.50363 17.66603 0.1307850      0.1975758     0.1307850      0.1975758     0.000000       0.000000      39.50363 17.66603 ?        ?        0.000000       17.66603 
1 1 1 15 7  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  13  o 15.90980 7.689091 -0.6700540E-01 0.5127996E-01 -0.5109134E-01 0.1134226     -0.7109411E-01 0.5749131E-01 25.78762 12.17353 16.93704 8.174834 8.850580       14.66365 
1 1 1 15 7  14  o 40.09517 17.96733 0.1750599      0.2054906     0.000000       0.000000      0.1750599      0.2054906     ?        ?        40.09517 17.96733 0.000000       17.96733 
1 1 1 15 7  15  f ?        ?        -0.2351294     0.4223064E-01 0.000000       0.000000      -0.2351294     0.4223064E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  16  o 31.50032 13.84462 0.6145301E-01  0.1162280     0.1291114      0.1624030     -0.9587421E-02 0.1664126     36.74890 16.24887 30.86676 14.62346 5.882141       21.86026 
1 1 1 15 7  17  o ?        ?        -0.1510609     0.3928374E-01 0.000000       0.000000      -0.1510609     0.3928374E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  18  o 21.67132 10.07619 -0.2691693E-01 0.7287242E-01 -0.1624365     0.1163605     0.6053337E-01  0.9347282E-01 21.57465 10.66283 29.80402 12.75614 -8.229378      16.62574 
1 1 1 15 7  19  o 26.21900 12.01976 0.4050332E-02  0.9853758E-01 0.1765828      0.1394958     -0.1677785     0.1392110     38.57980 15.98933 23.52519 11.63363 15.05461       19.77372 
1 1 1 15 7  20  o 35.02809 14.54570 0.1286904      0.1157672     0.2157106      0.1425118     -0.4014577E-01 0.1985060     40.72624 16.43207 30.19709 14.71659 10.52915       22.05880 
1 1 1 15 7  21  o 20.96249 9.974547 -0.4862891E-01 0.7908507E-01 -0.8752283E-01 0.1121235     -0.1012147E-01 0.1115650     23.03208 11.18736 26.09810 12.24271 -3.066017      16.58435 
1 1 1 15 7  22  o 29.27982 13.30907 0.5241653E-01  0.1175158     0.6419934E-01  0.1658100     0.4052439E-01  0.1665775     31.35327 14.77579 30.52755 14.51134 0.8257122      20.70997 
1 1 1 15 7  23  o 18.58154 8.991795 -0.6906734E-01 0.7069236E-01 -0.5751595E-01 0.1015387     -0.7993322E-01 0.9847968E-01 22.71663 10.93893 21.55234 10.47230 1.164286       15.14362 
1 1 1 15 7  24  o 20.17886 9.531815 -0.3202687E-01 0.6973615E-01 0.6469672E-01  0.8901859E-01 -0.1856865     0.1122004     28.25565 12.27265 19.68231 9.846951 8.573338       15.73468 
1 1 1 15 7  25  o 27.88300 12.86764 0.4983709E-01  0.1155578     0.1064762      0.1568271     -0.1744567E-01 0.1709287     31.18535 14.59274 27.51658 13.46304 3.668774       19.85451 
1 1 1 15 7  26  o 25.93197 11.75419 0.4067282E-01  0.9085123E-01 0.5663078E-01  0.1082295     0.2601006E-02  0.1671702     27.55122 12.61817 27.41003 13.39042 0.1411934      18.39896 
1 1 1 15 7  27  o 24.82899 11.71483 0.1621281E-01  0.1047858     0.1119962      0.1406636     -0.1032157     0.1570690     29.90345 13.93557 23.88195 11.90151 6.021500       18.32610 
1 1 1 15 7  28  o 24.58568 11.78883 0.7926336E-02  0.1150995     -0.5797737E-02 0.1422834     0.3391229E-01  0.1957863     25.22119 12.32796 27.42612 13.60393 -2.204929      18.35880 
1 1 1 15 7  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  30  o 21.50837 10.69417 -0.7278840E-01 0.1238655     0.000000       0.000000      -0.7278840E-01 0.1238655     ?        ?        21.50837 10.69417 0.000000       10.69417 
1 1 1 15 7  31  o 28.87318 14.60210 0.3895398      0.2845849     0.000000       0.000000      0.3895398      0.2845849     ?        ?        28.87318 14.60210 0.000000       14.60210 
1 1 1 15 7  32  o 23.54942 11.83846 0.2009391E-01  0.1719527     0.000000       0.000000      0.2009391E-01  0.1719527     ?        ?        23.54942 11.83846 0.000000       11.83846 
1 1 1 15 7  33  o ?        ?        -0.2014855     0.5241926E-01 0.000000       0.000000      -0.2014855     0.5241926E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  34  o 20.57984 10.43483 -0.3589239E-01 0.1514292     0.000000       0.000000      -0.3589239E-01 0.1514292     ?        ?        20.57984 10.43483 0.000000       10.43483 
1 1 1 15 7  35  o 20.85757 10.46120 0.4708584E-01  0.1304576     -0.7610339E-01 0.1764303     0.1956903      0.1937772     19.63179 10.06316 22.71994 11.54892 -3.088158      15.31812 
1 1 1 15 7  36  o 17.41347 8.695409 -0.2667511E-01 0.8564220E-01 -0.9389556E-01 0.1164487     0.5251792E-01  0.1263943     17.27551 8.797951 20.04707 10.08740 -2.771564      13.38505 
1 1 1 15 7  37  o 16.05878 8.143891 -0.6961069E-01 0.9250455E-01 -0.1316006     0.1160936     0.3819102E-01  0.1530949     16.04858 8.222229 18.80509 9.619571 -2.756504      12.65469 
1 1 1 15 7  38  o 18.45903 9.197212 0.6512459E-01  0.9360477E-01 0.1247938      0.1079818     -0.1152673     0.1877516     19.69864 9.824916 16.92202 8.745042 2.776623       13.15313 
1 1 1 15 7  39  o 13.14891 6.631256 -0.5923303E-01 0.5634242E-01 -0.3835264E-01 0.6218286E-01 -0.1549861     0.1331612     14.17042 7.122965 15.10356 7.788177 -0.9331379     10.55426 
1 1 1 15 7  40  o 13.34175 6.809747 -0.7772742E-01 0.7296532E-01 -0.1368654     0.8233513E-01 0.1386421      0.1574890     12.91369 6.634465 16.77009 8.639415 -3.856400      10.89292 
1 1 1 15 7  41  o 15.03000 7.670046 0.2386667E-01  0.9222621E-01 0.3649706E-01  0.1072949     -0.1186562E-01 0.1804684     15.22701 7.808190 14.98995 7.777575 0.2370625      11.02082 
1 1 1 15 7  42  o 12.31603 6.311483 -0.6813231E-01 0.6888524E-01 -0.8941175E-01 0.7769162E-01 0.1009347E-01  0.1489598     12.36090 6.352403 14.15515 7.336970 -1.794253      9.704852 
1 1 1 15 7  43  o 13.93413 7.156522 0.6128024E-01  0.9449956E-01 0.1265138      0.1095754     -0.1280672     0.1866841     14.47897 7.446186 13.06971 6.799279 1.409260       10.08345 
1 1 1 15 7  44  o 12.24457 6.275609 -0.1593912E-01 0.6833613E-01 -0.2098185E-01 0.8717232E-01 -0.7899799E-02 0.1100666     12.44357 6.411287 12.71762 6.582963 -0.2740507     9.189124 
1 1 1 15 7  45  o 12.21049 6.301751 0.1206016E-01  0.9080445E-01 0.8446819E-02  0.1041962     0.2346920E-01  0.1851493     12.20600 6.320745 12.31398 6.409394 -0.1079807     9.001786 
1 1 1 15 7  46  o 12.07389 6.269462 0.8458366E-01  0.1256640     0.8458366E-01  0.1256640     0.000000       0.000000      12.07389 6.269462 ?        ?        0.000000       6.269462 
1 1 1 15 7  47  o 10.16050 5.219804 -0.2981653E-01 0.5090970E-01 -0.2155282E-01 0.5253147E-01 -0.1574872     0.2064799     10.34301 5.313049 10.84294 5.646990 -0.4999256     7.753515 
1 1 1 15 7  48  o 9.881285 5.121851 -0.5375284E-01 0.7274353E-01 -0.1024409     0.8701207E-01 0.5927247E-01  0.1325733     9.777448 5.079591 10.60581 5.519476 -0.8283672     7.501124 
1 1 1 15 7  49  o 9.640583 5.004398 -0.1640559E-01 0.7775015E-01 -0.3301273E-01 0.9464663E-01 0.1805890E-01  0.1363464     9.632696 5.008922 9.854800 5.131336 -0.2221041     7.170768 
1 1 1 15 7  50  o 9.327265 4.854825 0.8793385E-01  0.1065472     0.8528312E-01  0.1348428     0.9233952E-01  0.1738406     9.236978 4.810526 9.192807 4.786440 0.4417038E-01  6.786101 
1 1 1 15 7  51  o 7.286044 3.783386 -0.1062848     0.4583566E-01 -0.9974598E-01 0.5329745E-01 -0.1248560     0.8982128E-01 7.578773 3.938185 8.028127 4.180144 -0.4493537     5.743074 
1 1 1 15 7  52  o 7.744638 4.033195 0.1051724E-03  0.9273402E-01 0.3344370E-01  0.1070357     -0.1002426     0.1856989     7.810591 4.067729 7.707465 4.005188 0.1031256      5.708586 
1 1 1 15 7  53  o 7.240776 3.769840 0.4230476E-01  0.1085646     0.8853881E-02  0.1271956     0.1320638      0.2083567     7.195105 3.743990 ?        ?        0.000000       3.743990 
1 1 1 15 7  54  o 6.588012 3.428421 0.1780418E-01  0.1058100     -0.2252726E-01 0.1233064     0.1304439      0.2060675     6.553226 3.407411 ?        ?        0.000000       3.407411 
1 1 1 15 7  55  o 6.025406 3.133148 0.7146037E-01  0.1035532     0.2049283      0.1202153     -0.3124018     0.2038727     6.101309 3.169787 ?        ?        0.000000       3.169787 
1 1 1 15 7  56  o ?        ?        0.4544591E-01  0.1500617     -0.1354343     0.2034576     0.2612250      0.2222199     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  57  o ?        ?        0.4080337E-01  0.1393313     0.1021521      0.1894180     -0.3152610E-01 0.2056725     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  58  o ?        ?        0.5509628E-01  0.1056688     0.1144287      0.1226922     -0.1153229     0.2079363     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  59  o ?        ?        0.4056936E-01  0.1105309     -0.4272049E-02 0.1282107     0.1703591      0.2181247     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  60  o ?        ?        -0.2795657E-01 0.8928749E-01 -0.2640388E-01 0.1036853     -0.3241185E-01 0.1756354     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  61  o ?        ?        0.1789978      0.1649233     0.1695346      0.2190040     0.1913946      0.2506618     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  62  o ?        ?        -0.1339513     0.9020776E-01 -0.2296440     0.1136927     0.2866293E-01  0.1482083     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  63  o ?        ?        -0.8591077E-01 0.1440091     0.000000       0.000000      -0.8591077E-01 0.1440091     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 7  64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  15  o 25.84769 13.05081 0.2006705      0.2219159     0.2006705      0.2219159     0.000000       0.000000      25.84769 13.05081 ?        ?        0.000000       13.05081 
1 1 1 15 8  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  18  o 18.87212 9.478999 -0.6344560E-01 0.1090447     -0.6344560E-01 0.1090447     0.000000       0.000000      18.87212 9.478999 ?        ?        0.000000       9.478999 
1 1 1 15 8  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  21  o 20.52193 10.44140 0.4959080E-01  0.1611423     0.4959080E-01  0.1611423     0.000000       0.000000      20.52193 10.44140 ?        ?        0.000000       10.44140 
1 1 1 15 8  22  o 15.18780 7.699743 -0.1073773     0.8225404E-01 -0.1073773     0.8225404E-01 0.000000       0.000000      15.18780 7.699743 ?        ?        0.000000       7.699743 
1 1 1 15 8  23  o 19.21146 9.853529 0.5002991E-01  0.1718698     0.5002991E-01  0.1718698     0.000000       0.000000      19.21146 9.853529 ?        ?        0.000000       9.853529 
1 1 1 15 8  24  o 13.02311 6.636974 -0.1291603     0.6718910E-01 -0.1291603     0.6718910E-01 0.000000       0.000000      13.02311 6.636974 ?        ?        0.000000       6.636974 
1 1 1 15 8  25  o ?        ?        -0.1833216     0.4781825E-01 -0.1833216     0.4781825E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  26  o 14.84379 7.514336 -0.4920593E-01 0.7650195E-01 -0.2969550     0.1125076     0.1638548      0.1043344     13.40785 6.923489 20.16999 9.991662 -6.762143      12.15599 
1 1 1 15 8  27  o 15.62617 7.964017 -0.1053311E-01 0.9685670E-01 0.7639316E-02  0.1320001     -0.3172961E-01 0.1425608     16.18595 8.318956 15.89473 8.189845 0.2912216      11.67384 
1 1 1 15 8  28  o 12.70820 6.468504 -0.7618469E-01 0.6231969E-01 0.4722269E-01  0.8272631E-01 -0.2381100     0.9476118E-01 16.19941 8.152524 12.41938 6.410749 3.780034       10.37118 
1 1 1 15 8  29  o 15.93886 8.142622 0.7694922E-01  0.1064587     0.3011653E-01  0.1284317     0.1797879      0.1903163     15.31075 7.883332 16.01755 8.302074 -0.7067957     11.44864 
1 1 1 15 8  30  o 12.70817 6.488276 -0.5524850E-01 0.6668340E-01 -0.4473700E-01 0.7918667E-01 -0.8087622E-01 0.1236445     13.33352 6.828061 13.79618 7.128516 -0.4626570     9.871077 
1 1 1 15 8  31  f 14.55552 7.518506 0.9204942E-01  0.1349699     0.2958446      0.1856090     -0.1366402     0.1966189     15.16975 7.871369 13.62704 7.087749 1.542708       10.59220 
1 1 1 15 8  32  o 10.90083 5.605687 -0.1121800     0.6194804E-01 -0.1441162     0.8023836E-01 -0.6505408E-01 0.9746978E-01 11.41599 5.893087 12.63610 6.521702 -1.220112      8.789827 
1 1 1 15 8  33  o 12.25965 6.322614 -0.5231690E-01 0.8829569E-01 -0.1507177E-02 0.1196060     -0.1131698     0.1308941     12.93666 6.701371 12.39380 6.434953 0.5428638      9.290694 
1 1 1 15 8  34  o 11.41712 5.879189 -0.6594267E-01 0.7175060E-01 -0.5727776E-01 0.8650404E-01 -0.8504845E-01 0.1284508     11.84109 6.112809 12.14012 6.304519 -0.2990274     8.781424 
1 1 1 15 8  35  o 12.53812 6.514252 0.1247684      0.1439621     0.2274203      0.1976535     0.8778411E-02  0.2101025     12.56882 6.542691 12.11478 6.308477 0.4540415      9.088657 
1 1 1 15 8  36  o 12.39698 6.428081 0.1335181      0.1172125     0.1497698      0.1377623     0.9090494E-01  0.2230756     12.28691 6.383477 11.88018 6.187084 0.4067297      8.889813 
1 1 1 15 8  37  o 11.67788 6.065531 0.1216866      0.1211453     0.1377545      0.1388753     0.7053556E-01  0.2477843     11.62267 6.043982 11.28110 5.874514 0.3415718      8.428501 
1 1 1 15 8  38  o 10.96875 5.710981 0.2625687      0.2455010     0.2625687      0.2455010     0.000000       0.000000      10.96875 5.710981 ?        ?        0.000000       5.710981 
1 1 1 15 8  39  o 9.741962 5.065914 -0.8924007E-01 0.9734946E-01 -0.8924007E-01 0.9734946E-01 0.000000       0.000000      9.741962 5.065914 ?        ?        0.000000       5.065914 
1 1 1 15 8  40  o 9.779852 5.091247 0.5706130E-01  0.1218750     0.2257274      0.1612172     -0.1678812     0.1861801     10.00391 5.210002 9.466648 4.928631 0.5372591      7.171857 
1 1 1 15 8  41  o 9.099278 4.738463 0.1806214E-01  0.1233647     -0.5953868E-01 0.1590819     0.1351291      0.1953911     8.996977 4.684952 9.198212 4.787577 -0.2012348     6.698483 
1 1 1 15 8  42  o 8.518557 4.436338 -0.1305357E-01 0.1214333     -0.1490566     0.1590738     0.1768903      0.1879910     8.396545 4.370659 8.698605 4.526071 -0.3020592     6.291898 
1 1 1 15 8  43  o 7.645699 3.981255 -0.1009919     0.8438012E-01 -0.1369873     0.1037890     -0.3081759E-01 0.1449163     7.684105 4.001876 7.928857 4.126861 -0.2447524     5.748565 
1 1 1 15 8  44  o 7.602159 3.959028 0.6316132E-01  0.1021873     0.8506551E-01  0.1181373     -0.1926197E-02 0.2036444     7.608091 3.961208 ?        ?        0.000000       3.961208 
1 1 1 15 8  45  f 7.124493 3.706645 0.1781280      0.1306047     0.1274054      0.1556132     0.2990024      0.2402220     7.048034 3.662304 ?        ?        0.000000       3.662304 
1 1 1 15 8  46  o 6.355676 3.309858 -0.3939673E-01 0.7389739E-01 -0.7283428E-01 0.8989601E-01 0.3028418E-01  0.1297718     6.340833 3.300854 6.472862 3.363749 -0.1320286     4.712796 
1 1 1 15 8  47  o 5.925087 3.084879 -0.7591337E-02 0.7394608E-01 -0.2921989E-02 0.1011609     -0.1294903E-01 0.1083611     5.941710 3.089326 5.935317 3.084488 0.6392956E-02  4.365547 
1 1 1 15 8  48  o ?        ?        0.5914529E-01  0.1060394     0.7406846E-01  0.1240850     0.1873797E-01  0.2041827     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  49  o ?        ?        0.6434684E-01  0.1070370     0.9236563E-01  0.1246594     -0.1427320E-01 0.2088175     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  50  o ?        ?        -0.6520993E-01 0.9851097E-01 -0.9946729E-01 0.1217463     -0.2503548E-03 0.1676489     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  51  o ?        ?        -0.3585990E-01 0.1062627     -0.5050656E-01 0.1354590     -0.1242535E-01 0.1713433     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  52  o ?        ?        0.8840436E-01  0.1350138     0.2181632      0.1789792     -0.8293732E-01 0.2056674     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  53  o ?        ?        0.1103542      0.1174832     0.1037668      0.1377957     0.1278885      0.2248134     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  54  o ?        ?        0.6535745E-01  0.1012647     0.1149276      0.1173144     -0.7954037E-01 0.2005727     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  55  o ?        ?        -0.1285469     0.6504858E-01 -0.1699938     0.7151023E-01 0.7020135E-01  0.1565937     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  56  f ?        ?        0.1919592E-01  0.1859404     0.000000       0.000000      0.1919592E-01  0.1859404     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 8  57  o ?        ?        -0.2514251     0.5783942E-01 0.000000       0.000000      -0.2514251     0.5783942E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  11  o 12.26819 6.342200 -0.9536161E-01 0.1006645     -0.9536161E-01 0.1006645     0.000000       0.000000      12.26819 6.342200 ?        ?        0.000000       6.342200 
1 1 1 15 9  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  17  o 12.20857 6.350461 0.3287483E-01  0.1607652     0.3287483E-01  0.1607652     0.000000       0.000000      12.20857 6.350461 ?        ?        0.000000       6.350461 
1 1 1 15 9  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  23  o 10.81286 5.630428 0.1659494      0.2242599     0.1659494      0.2242599     0.000000       0.000000      10.81286 5.630428 ?        ?        0.000000       5.630428 
1 1 1 15 9  24  o 10.06487 5.235871 -0.5376854E-01 0.1102969     -0.5376854E-01 0.1102969     0.000000       0.000000      10.06487 5.235871 ?        ?        0.000000       5.235871 
1 1 1 15 9  25  o 9.306447 4.837813 -0.1134096     0.8465853E-01 -0.1134096     0.8465853E-01 0.000000       0.000000      9.306447 4.837813 ?        ?        0.000000       4.837813 
1 1 1 15 9  26  f 9.305504 4.839945 -0.5172696E-01 0.9140804E-01 -0.5172696E-01 0.9140804E-01 0.000000       0.000000      9.305504 4.839945 ?        ?        0.000000       4.839945 
1 1 1 15 9  27  o 9.312937 4.846959 0.1188835      0.2034267     0.1188835      0.2034267     0.000000       0.000000      9.312937 4.846959 ?        ?        0.000000       4.846959 
1 1 1 15 9  28  o 8.845774 4.606133 -0.4936593E-02 0.1568989     -0.4936593E-02 0.1568989     0.000000       0.000000      8.845774 4.606133 ?        ?        0.000000       4.606133 
1 1 1 15 9  29  o 8.428106 4.388575 -0.3399592E-01 0.1415926     -0.3399592E-01 0.1415926     0.000000       0.000000      8.428106 4.388575 ?        ?        0.000000       4.388575 
1 1 1 15 9  30  o ?        ?        0.2354735      0.2431121     0.2354735      0.2431121     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  31  o 7.461448 3.885753 -0.9133599E-01 0.8735347E-01 -0.9133599E-01 0.8735347E-01 0.000000       0.000000      7.461448 3.885753 ?        ?        0.000000       3.885753 
1 1 1 15 9  32  o 7.322558 3.811158 -0.5901800E-01 0.1262453     -0.5901800E-01 0.1262453     0.000000       0.000000      7.322558 3.811158 ?        ?        0.000000       3.811158 
1 1 1 15 9  33  o 6.909151 3.597790 -0.4611616E-01 0.9363663E-01 -0.4611616E-01 0.9363663E-01 0.000000       0.000000      6.909151 3.597790 ?        ?        0.000000       3.597790 
1 1 1 15 9  34  o 6.486010 3.375219 -0.9955543E-01 0.1022849     -0.9955543E-01 0.1022849     0.000000       0.000000      6.486010 3.375219 ?        ?        0.000000       3.375219 
1 1 1 15 9  35  o ?        ?        0.2293984      0.2420521     0.2293984      0.2420521     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  36  o ?        ?        -0.4152054E-01 0.1368646     -0.4152054E-01 0.1368646     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  37  o ?        ?        -0.3625927E-01 0.1444474     -0.3625927E-01 0.1444474     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  38  o ?        ?        -0.2358832E-01 0.9945656E-01 -0.3259168E-01 0.1299097     -0.1083833E-01 0.1545946     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  39  o ?        ?        -0.6936503E-01 0.8987630E-01 -0.1647721     0.1218611     0.4443170E-01  0.1330882     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  40  o ?        ?        0.1279006      0.1517231     -0.5219143E-01 0.2081252     0.3321605      0.2216506     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  41  o ?        ?        -0.5789311E-01 0.7510483E-01 -0.8495511E-01 0.8580144E-01 0.3079728E-01  0.1553291     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  42  o ?        ?        0.1795558      0.1352408     0.1290669      0.2281421     0.2069101      0.1679269     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  43  o ?        ?        -0.2852134E-01 0.9663251E-01 -0.1914081     0.1577851     0.6924058E-01  0.1222385     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  44  f ?        ?        -0.1628360     0.7166745E-01 0.000000       0.000000      -0.1628360     0.7166745E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  45  o ?        ?        -0.1185216     0.1264907     0.000000       0.000000      -0.1185216     0.1264907     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  46  o ?        ?        0.1301839      0.2234885     0.000000       0.000000      0.1301839      0.2234885     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  47  o ?        ?        0.8738728E-01  0.2100577     0.000000       0.000000      0.8738728E-01  0.2100577     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  48  o ?        ?        0.1667115      0.2344071     0.000000       0.000000      0.1667115      0.2344071     ?        ?        ?        ?        0.000000       ?        
1 1 1 15 9  49  o ?        ?        -0.3110184     0.4968359E-01 -0.3110184     0.4968359E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 30  o ?        ?        -0.6174779E-01 0.9529439E-01 -0.6174779E-01 0.9529439E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 31  o ?        ?        -0.8753137E-01 0.1241570     -0.8753137E-01 0.1241570     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 32  o ?        ?        -0.2215421E-01 0.1546942     -0.2215421E-01 0.1546942     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 33  o ?        ?        0.1608869E-01  0.1675421     0.1608869E-01  0.1675421     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 34  o ?        ?        -0.1507954     0.4720979E-01 -0.1507954     0.4720979E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 35  o ?        ?        -0.2065969     0.5036073E-01 -0.2065969     0.5036073E-01 0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 36  o ?        ?        0.9229973E-01  0.2006281     0.9229973E-01  0.2006281     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 10 37  o ?        ?        0.3198317      0.2724701     0.3198317      0.2724701     0.000000       0.000000      ?        ?        ?        ?        0.000000       ?        
1 1 1 15 11 0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  55  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  60  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  64  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  66  f ?        ?        0.9692492E-01  0.2671015     0.9692492E-01  0.2671015     0.000000       0.000000      ?        ?        ?        ?        0.000000       0.000000 
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1 1 1 16 0  70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  50  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  51  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  55  o 11.29554 5.876769 -0.1710694     0.1406486     0.000000       0.000000      -0.1710694     0.1406486     ?        ?        11.29554 5.876769 0.000000       5.876769 
1 1 1 16 1  56  o 9.573490 4.975295 -0.2367141     0.8648740E-01 0.000000       0.000000      -0.2367141     0.8648740E-01 ?        ?        9.573490 4.975295 0.000000       4.975295 
1 1 1 16 1  57  f 10.42607 5.429358 -0.1603784E-01 0.2026349     0.000000       0.000000      -0.1603784E-01 0.2026349     ?        ?        10.42607 5.429358 0.000000       5.429358 
1 1 1 16 1  58  o 9.721914 5.058608 0.7847267E-01  0.2361936     0.000000       0.000000      0.7847267E-01  0.2361936     ?        ?        9.721914 5.058608 0.000000       5.058608 
1 1 1 16 1  59  o ?        ?        -0.3943546     0.6789679E-01 0.000000       0.000000      -0.3943546     0.6789679E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  60  o ?        ?        0.7945613E-01  0.2471944     0.000000       0.000000      0.7945613E-01  0.2471944     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  61  o ?        ?        0.3462843      0.3236371     0.000000       0.000000      0.3462843      0.3236371     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  62  o 6.458040 3.356982 -0.2441621     0.1253906     0.000000       0.000000      -0.2441621     0.1253906     ?        ?        6.458040 3.356982 0.000000       3.356982 
1 1 1 16 1  63  o 5.734082 2.979414 -0.2797556     0.1036569     0.000000       0.000000      -0.2797556     0.1036569     ?        ?        5.734082 2.979414 0.000000       2.979414 
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1 1 1 16 1  65  o ?        ?        -0.1226214     0.1964633     0.000000       0.000000      -0.1226214     0.1964633     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  66  o ?        ?        -0.4143896     0.7670497E-01 0.000000       0.000000      -0.4143896     0.7670497E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  67  o ?        ?        -0.1190738     0.1949349     0.000000       0.000000      -0.1190738     0.1949349     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  68  o ?        ?        -0.1044581     0.2011159     0.000000       0.000000      -0.1044581     0.2011159     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 1  69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  71  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  37  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  38  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  42  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  43  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  45  o 20.26925 10.40939 -0.1917474E-01 0.1991358     0.000000       0.000000      -0.1917474E-01 0.1991358     ?        ?        20.26925 10.40939 0.000000       10.40939 
1 1 1 16 2  46  f ?        ?        -0.2846909     0.6319639E-01 0.000000       0.000000      -0.2846909     0.6319639E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  48  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  49  o 15.78522 8.204219 0.5381221E-01  0.2377318     0.000000       0.000000      0.5381221E-01  0.2377318     ?        ?        15.78522 8.204219 0.000000       8.204219 
1 1 1 16 2  50  o ?        ?        -0.4106665     0.6344041E-01 0.000000       0.000000      -0.4106665     0.6344041E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  51  o 13.79243 7.177094 0.4004018E-01  0.2179901     0.000000       0.000000      0.4004018E-01  0.2179901     ?        ?        13.79243 7.177094 0.000000       7.177094 
1 1 1 16 2  52  o 12.81399 6.667086 -0.5597540E-01 0.1842399     0.000000       0.000000      -0.5597540E-01 0.1842399     ?        ?        12.81399 6.667086 0.000000       6.667086 
1 1 1 16 2  53  f ?        ?        -0.2886791     0.6514293E-01 0.000000       0.000000      -0.2886791     0.6514293E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  54  o 11.57015 6.025393 -0.1231911E-01 0.2023087     0.000000       0.000000      -0.1231911E-01 0.2023087     ?        ?        11.57015 6.025393 0.000000       6.025393 
1 1 1 16 2  55  o 10.54798 5.492652 -0.1190770     0.1584107     0.000000       0.000000      -0.1190770     0.1584107     ?        ?        10.54798 5.492652 0.000000       5.492652 
1 1 1 16 2  56  o 10.19829 5.307361 0.1253215      0.2501393     0.000000       0.000000      0.1253215      0.2501393     ?        ?        10.19829 5.307361 0.000000       5.307361 
1 1 1 16 2  57  o 9.325321 4.851796 0.2153461E-01  0.2189803     0.000000       0.000000      0.2153461E-01  0.2189803     ?        ?        9.325321 4.851796 0.000000       4.851796 
1 1 1 16 2  58  o 8.580987 4.460342 0.3115100E-01  0.2217390     0.000000       0.000000      0.3115100E-01  0.2217390     ?        ?        8.580987 4.460342 0.000000       4.460342 
1 1 1 16 2  59  o ?        ?        0.9149212E-01  0.2394448     0.000000       0.000000      0.9149212E-01  0.2394448     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  60  o ?        ?        0.3130204E-01  0.2222684     0.000000       0.000000      0.3130204E-01  0.2222684     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  61  o ?        ?        -0.9572829E-01 0.1734085     0.000000       0.000000      -0.9572829E-01 0.1734085     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  62  o ?        ?        -0.2087577     0.1159603     0.000000       0.000000      -0.2087577     0.1159603     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  63  o ?        ?        -0.8426698E-01 0.1837423     0.000000       0.000000      -0.8426698E-01 0.1837423     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  64  o ?        ?        0.8018994E-01  0.2458672     0.000000       0.000000      0.8018994E-01  0.2458672     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  65  o ?        ?        -0.2143198     0.1175563     0.000000       0.000000      -0.2143198     0.1175563     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  66  o ?        ?        0.1844305      0.2779532     0.000000       0.000000      0.1844305      0.2779532     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  67  f ?        ?        0.2425127      0.2802455     0.000000       0.000000      0.2425127      0.2802455     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 2  68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  69  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  70  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  31  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  32  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  36  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  37  o 29.48930 14.85848 0.2457631      0.2793333     0.000000       0.000000      0.2457631      0.2793333     ?        ?        29.48930 14.85848 0.000000       14.85848 
1 1 1 16 3  38  o 18.74523 9.472777 -0.1719190     0.1183970     0.000000       0.000000      -0.1719190     0.1183970     ?        ?        18.74523 9.472777 0.000000       9.472777 
1 1 1 16 3  39  o 24.43854 12.38921 0.5274323E-01  0.2128524     0.000000       0.000000      0.5274323E-01  0.2128524     ?        ?        24.43854 12.38921 0.000000       12.38921 
1 1 1 16 3  40  o 14.06603 7.171501 -0.2019910     0.7913775E-01 0.000000       0.000000      -0.2019910     0.7913775E-01 ?        ?        14.06603 7.171501 0.000000       7.171501 
1 1 1 16 3  41  o 17.91787 9.128703 -0.1465085     0.1263038     0.000000       0.000000      -0.1465085     0.1263038     ?        ?        17.91787 9.128703 0.000000       9.128703 
1 1 1 16 3  42  o ?        ?        -0.2756875     0.6213730E-01 0.000000       0.000000      -0.2756875     0.6213730E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  43  o 17.05866 8.759778 -0.1292495     0.1405668     0.000000       0.000000      -0.1292495     0.1405668     ?        ?        17.05866 8.759778 0.000000       8.759778 
1 1 1 16 3  44  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  46  o 15.57551 8.077051 -0.2580252E-01 0.1869835     0.000000       0.000000      -0.2580252E-01 0.1869835     ?        ?        15.57551 8.077051 0.000000       8.077051 
1 1 1 16 3  47  o 14.93512 7.762622 0.3777223E-01  0.2137286     0.000000       0.000000      0.3777223E-01  0.2137286     ?        ?        14.93512 7.762622 0.000000       7.762622 
1 1 1 16 3  48  o ?        ?        -0.3588757     0.6352052E-01 0.000000       0.000000      -0.3588757     0.6352052E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  49  o 11.40951 5.916512 -0.2029659     0.1000411     0.000000       0.000000      -0.2029659     0.1000411     ?        ?        11.40951 5.916512 0.000000       5.916512 
1 1 1 16 3  50  o 12.50005 6.507086 -0.6100300E-02 0.1980934     0.000000       0.000000      -0.6100300E-02 0.1980934     ?        ?        12.50005 6.507086 0.000000       6.507086 
1 1 1 16 3  51  o 11.72258 6.102643 -0.5864409E-01 0.1790565     0.000000       0.000000      -0.5864409E-01 0.1790565     ?        ?        11.72258 6.102643 0.000000       6.102643 
1 1 1 16 3  52  o 11.38185 5.923509 0.3634832      0.3108882     0.000000       0.000000      0.3634832      0.3108882     ?        ?        11.38185 5.923509 0.000000       5.923509 
1 1 1 16 3  53  o ?        ?        -0.2557504     0.6330724E-01 0.000000       0.000000      -0.2557504     0.6330724E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  54  o 9.860686 5.129330 0.1590945      0.2562585     0.000000       0.000000      0.1590945      0.2562585     ?        ?        9.860686 5.129330 0.000000       5.129330 
1 1 1 16 3  55  o ?        ?        0.2153731      0.2755117     0.000000       0.000000      0.2153731      0.2755117     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  56  o 8.253459 4.290458 -0.1360177E-01 0.2028166     0.000000       0.000000      -0.1360177E-01 0.2028166     ?        ?        8.253459 4.290458 0.000000       4.290458 
1 1 1 16 3  57  f 7.412129 3.856408 -0.1546268     0.1384804     0.000000       0.000000      -0.1546268     0.1384804     ?        ?        7.412129 3.856408 0.000000       3.856408 
1 1 1 16 3  58  o ?        ?        0.1024723      0.2487308     0.000000       0.000000      0.1024723      0.2487308     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  59  o ?        ?        0.3142900E-01  0.2245504     0.000000       0.000000      0.3142900E-01  0.2245504     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  60  o ?        ?        -0.9227899E-01 0.1818851     0.000000       0.000000      -0.9227899E-01 0.1818851     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  61  o ?        ?        0.2565067      0.2969943     0.000000       0.000000      0.2565067      0.2969943     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  62  o ?        ?        -0.1301403     0.1699789     0.000000       0.000000      -0.1301403     0.1699789     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  63  o ?        ?        0.4340409E-01  0.2401069     0.000000       0.000000      0.4340409E-01  0.2401069     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  64  o ?        ?        -0.2115883     0.1420309     0.000000       0.000000      -0.2115883     0.1420309     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  66  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  67  o ?        ?        0.1363183      0.2745878     0.000000       0.000000      0.1363183      0.2745878     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 3  68  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  27  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  28  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  29  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  30  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  31  o 24.55540 12.27967 -0.5519015E-01 0.1736500     0.000000       0.000000      -0.5519015E-01 0.1736500     ?        ?        24.55540 12.27967 0.000000       12.27967 
1 1 1 16 4  32  o 26.18687 13.10584 0.5967930E-01  0.1995880     0.000000       0.000000      0.5967930E-01  0.1995880     ?        ?        26.18687 13.10584 0.000000       13.10584 
1 1 1 16 4  33  o 21.05511 10.58421 -0.9635843E-01 0.1373890     0.000000       0.000000      -0.9635843E-01 0.1373890     ?        ?        21.05511 10.58421 0.000000       10.58421 
1 1 1 16 4  34  f ?        ?        -0.4973726     0.6188601E-01 0.000000       0.000000      -0.4973726     0.6188601E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  35  o ?        ?        -0.4102093     0.6866606E-01 0.000000       0.000000      -0.4102093     0.6866606E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  36  o ?        ?        -0.3467711     0.6663977E-01 0.000000       0.000000      -0.3467711     0.6663977E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  37  o ?        ?        -0.2882161     0.6650542E-01 0.000000       0.000000      -0.2882161     0.6650542E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  38  o 21.05350 10.91231 0.4593831      0.3289129     0.000000       0.000000      0.4593831      0.3289129     ?        ?        21.05350 10.91231 0.000000       10.91231 
1 1 1 16 4  39  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  40  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  41  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  42  o 14.08934 7.301816 -0.1847321     0.1460022     0.000000       0.000000      -0.1847321     0.1460022     ?        ?        14.08934 7.301816 0.000000       7.301816 
1 1 1 16 4  43  o 13.89820 7.215097 -0.1225563     0.1626842     0.000000       0.000000      -0.1225563     0.1626842     ?        ?        13.89820 7.215097 0.000000       7.215097 
1 1 1 16 4  44  o 13.32503 6.925201 -0.1036048     0.1682038     0.000000       0.000000      -0.1036048     0.1682038     ?        ?        13.32503 6.925201 0.000000       6.925201 
1 1 1 16 4  45  o ?        ?        -0.2970863     0.6105822E-01 0.000000       0.000000      -0.2970863     0.6105822E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  46  o 12.33862 6.419973 -0.5842675E-01 0.1721941     0.000000       0.000000      -0.5842675E-01 0.1721941     ?        ?        12.33862 6.419973 0.000000       6.419973 
1 1 1 16 4  47  o 12.15901 6.332123 0.2160321      0.2648107     0.000000       0.000000      0.2160321      0.2648107     ?        ?        12.15901 6.332123 0.000000       6.332123 
1 1 1 16 4  48  o 10.84378 5.644620 -0.1449863     0.1467674     0.000000       0.000000      -0.1449863     0.1467674     ?        ?        10.84378 5.644620 0.000000       5.644620 
1 1 1 16 4  49  o 10.67240 5.557525 0.2189994E-01  0.2175202     0.000000       0.000000      0.2189994E-01  0.2175202     ?        ?        10.67240 5.557525 0.000000       5.557525 
1 1 1 16 4  50  o 10.08986 5.249598 0.1425607      0.2567768     0.000000       0.000000      0.1425607      0.2567768     ?        ?        10.08986 5.249598 0.000000       5.249598 
1 1 1 16 4  51  o 9.150522 4.763681 -0.7603215E-01 0.1834800     0.000000       0.000000      -0.7603215E-01 0.1834800     ?        ?        9.150522 4.763681 0.000000       4.763681 
1 1 1 16 4  52  o ?        ?        -0.2705945     0.6624827E-01 0.000000       0.000000      -0.2705945     0.6624827E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  53  o ?        ?        0.2508342      0.2841984     0.000000       0.000000      0.2508342      0.2841984     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  54  o ?        ?        0.5475167E-01  0.2310095     0.000000       0.000000      0.5475167E-01  0.2310095     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  55  o ?        ?        0.2213030      0.2822500     0.000000       0.000000      0.2213030      0.2822500     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  56  o ?        ?        0.1408091      0.2574990     0.000000       0.000000      0.1408091      0.2574990     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  57  o ?        ?        0.5323556E-01  0.2380934     0.000000       0.000000      0.5323556E-01  0.2380934     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  58  o ?        ?        0.2263129      0.2897173     0.000000       0.000000      0.2263129      0.2897173     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  59  o ?        ?        -0.2810053     0.8774579E-01 0.000000       0.000000      -0.2810053     0.8774579E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  60  o ?        ?        0.3483301      0.3198394     0.000000       0.000000      0.3483301      0.3198394     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  61  o ?        ?        -0.1554855     0.1614499     0.000000       0.000000      -0.1554855     0.1614499     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  62  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  63  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  64  o ?        ?        0.1726631      0.2723268     0.000000       0.000000      0.1726631      0.2723268     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 4  65  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  26  o 24.54605 12.33090 0.9710579E-01  0.1849167     0.000000       0.000000      0.9710579E-01  0.1849167     ?        ?        24.54605 12.33090 0.000000       12.33090 
1 1 1 16 5  27  o ?        ?        -0.3109455     0.4824466E-01 0.000000       0.000000      -0.3109455     0.4824466E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  28  o 19.56151 9.938668 -0.8918032E-01 0.1422829     0.000000       0.000000      -0.8918032E-01 0.1422829     ?        ?        19.56151 9.938668 0.000000       9.938668 
1 1 1 16 5  29  o 20.69028 10.56271 0.5483649E-02  0.1763872     0.000000       0.000000      0.5483649E-02  0.1763872     ?        ?        20.69028 10.56271 0.000000       10.56271 
1 1 1 16 5  30  o 21.24438 10.91825 0.1529485      0.2284501     0.000000       0.000000      0.1529485      0.2284501     ?        ?        21.24438 10.91825 0.000000       10.91825 
1 1 1 16 5  31  o ?        ?        -0.2210700     0.5428123E-01 0.000000       0.000000      -0.2210700     0.5428123E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  32  o 17.82574 9.160919 -0.2973137E-01 0.1614514     0.000000       0.000000      -0.2973137E-01 0.1614514     ?        ?        17.82574 9.160919 0.000000       9.160919 
1 1 1 16 5  33  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  34  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  35  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  36  o 15.43480 8.011028 0.6095228E-01  0.1969436     0.000000       0.000000      0.6095228E-01  0.1969436     ?        ?        15.43480 8.011028 0.000000       8.011028 
1 1 1 16 5  37  o 14.34455 7.453418 -0.8130711E-02 0.1898269     0.000000       0.000000      -0.8130711E-02 0.1898269     ?        ?        14.34455 7.453418 0.000000       7.453418 
1 1 1 16 5  38  o 12.08359 6.263184 -0.1945430     0.1084848     0.000000       0.000000      -0.1945430     0.1084848     ?        ?        12.08359 6.263184 0.000000       6.263184 
1 1 1 16 5  39  f 13.38101 6.966080 0.9442583E-01  0.2297082     0.000000       0.000000      0.9442583E-01  0.2297082     ?        ?        13.38101 6.966080 0.000000       6.966080 
1 1 1 16 5  40  o 12.76358 6.644968 0.3598927E-01  0.2105454     0.000000       0.000000      0.3598927E-01  0.2105454     ?        ?        12.76358 6.644968 0.000000       6.644968 
1 1 1 16 5  41  o 12.31244 6.412175 0.1667185      0.2538140     0.000000       0.000000      0.1667185      0.2538140     ?        ?        12.31244 6.412175 0.000000       6.412175 
1 1 1 16 5  42  o 11.68840 6.087412 0.5454564E-01  0.2217583     0.000000       0.000000      0.5454564E-01  0.2217583     ?        ?        11.68840 6.087412 0.000000       6.087412 
1 1 1 16 5  43  o 10.96235 5.708964 -0.1256190E-01 0.2031436     0.000000       0.000000      -0.1256190E-01 0.2031436     ?        ?        10.96235 5.708964 0.000000       5.708964 
1 1 1 16 5  44  o 10.57230 5.502721 0.1792613      0.2606835     0.000000       0.000000      0.1792613      0.2606835     ?        ?        10.57230 5.502721 0.000000       5.502721 
1 1 1 16 5  45  o 9.714484 5.059088 -0.9361231E-01 0.1638780     0.000000       0.000000      -0.9361231E-01 0.1638780     ?        ?        9.714484 5.059088 0.000000       5.059088 
1 1 1 16 5  46  o ?        ?        -0.2444084     0.6036095E-01 0.000000       0.000000      -0.2444084     0.6036095E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  47  o 7.340570 3.820671 -0.2356526     0.6531218E-01 0.000000       0.000000      -0.2356526     0.6531218E-01 ?        ?        7.340570 3.820671 0.000000       3.820671 
1 1 1 16 5  48  o ?        ?        0.1251220      0.2355162     0.000000       0.000000      0.1251220      0.2355162     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  49  o ?        ?        0.4126191      0.3291955     0.000000       0.000000      0.4126191      0.3291955     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  50  o 6.600819 3.432911 -0.2439483     0.1206577     0.000000       0.000000      -0.2439483     0.1206577     ?        ?        6.600819 3.432911 0.000000       3.432911 
1 1 1 16 5  51  o ?        ?        -0.3179304     0.7024093E-01 0.000000       0.000000      -0.3179304     0.7024093E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  52  o ?        ?        0.1010337      0.2514179     0.000000       0.000000      0.1010337      0.2514179     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  53  o ?        ?        -0.8628011E-01 0.1897749     0.000000       0.000000      -0.8628011E-01 0.1897749     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  54  o ?        ?        -0.9934831E-01 0.1825027     0.000000       0.000000      -0.9934831E-01 0.1825027     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  55  o ?        ?        -0.1190006     0.1801229     0.000000       0.000000      -0.1190006     0.1801229     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  56  o ?        ?        0.3869708      0.3269748     0.000000       0.000000      0.3869708      0.3269748     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  57  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  58  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  59  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  60  o ?        ?        -0.1082331E-01 0.2246598     0.000000       0.000000      -0.1082331E-01 0.2246598     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 5  61  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  27  o 15.70028 8.172845 0.5072768      0.3098322     0.000000       0.000000      0.5072768      0.3098322     ?        ?        15.70028 8.172845 0.000000       8.172845 
1 1 1 16 6  28  o ?        ?        -0.2537891     0.4997002E-01 0.000000       0.000000      -0.2537891     0.4997002E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  29  o 13.75089 7.143682 0.7369112E-02  0.1714871     0.000000       0.000000      0.7369112E-02  0.1714871     ?        ?        13.75089 7.143682 0.000000       7.143682 
1 1 1 16 6  30  o 13.40325 6.969664 0.4371591E-01  0.1836132     0.000000       0.000000      0.4371591E-01  0.1836132     ?        ?        13.40325 6.969664 0.000000       6.969664 
1 1 1 16 6  31  o 12.51408 6.497310 -0.7147866E-01 0.1332109     0.000000       0.000000      -0.7147866E-01 0.1332109     ?        ?        12.51408 6.497310 0.000000       6.497310 
1 1 1 16 6  32  o 12.29162 6.389539 -0.4399144E-01 0.1471026     0.000000       0.000000      -0.4399144E-01 0.1471026     ?        ?        12.29162 6.389539 0.000000       6.389539 
1 1 1 16 6  33  o 11.74943 6.108968 -0.6709496E-01 0.1391369     0.000000       0.000000      -0.6709496E-01 0.1391369     ?        ?        11.74943 6.108968 0.000000       6.108968 
1 1 1 16 6  34  o 11.28815 5.870447 -0.8465081E-01 0.1321324     0.000000       0.000000      -0.8465081E-01 0.1321324     ?        ?        11.28815 5.870447 0.000000       5.870447 
1 1 1 16 6  35  o 11.43868 5.955687 0.3347362      0.2684568     0.000000       0.000000      0.3347362      0.2684568     ?        ?        11.43868 5.955687 0.000000       5.955687 
1 1 1 16 6  36  o 10.83755 5.643973 0.9180263E-01  0.1987143     0.000000       0.000000      0.9180263E-01  0.1987143     ?        ?        10.83755 5.643973 0.000000       5.643973 
1 1 1 16 6  37  o 10.10295 5.261152 -0.3649955E-01 0.1494299     0.000000       0.000000      -0.3649955E-01 0.1494299     ?        ?        10.10295 5.261152 0.000000       5.261152 
1 1 1 16 6  38  o 9.216740 4.798578 -0.1462119     0.1124988     0.000000       0.000000      -0.1462119     0.1124988     ?        ?        9.216740 4.798578 0.000000       4.798578 
1 1 1 16 6  39  o 9.174202 4.774735 0.5207255E-01  0.1978593     0.000000       0.000000      0.5207255E-01  0.1978593     ?        ?        9.174202 4.774735 0.000000       4.774735 
1 1 1 16 6  40  o 7.944262 4.135969 -0.1813594     0.8264011E-01 0.000000       0.000000      -0.1813594     0.8264011E-01 ?        ?        7.944262 4.135969 0.000000       4.135969 
1 1 1 16 6  41  o 8.062281 4.192975 -0.3700623E-02 0.1781029     0.000000       0.000000      -0.3700623E-02 0.1781029     ?        ?        8.062281 4.192975 0.000000       4.192975 
1 1 1 16 6  42  o ?        ?        0.1682560      0.2370273     0.000000       0.000000      0.1682560      0.2370273     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  43  o 7.080087 3.679892 -0.7723103E-01 0.1520517     0.000000       0.000000      -0.7723103E-01 0.1520517     ?        ?        7.080087 3.679892 0.000000       3.679892 
1 1 1 16 6  44  o ?        ?        -0.7055686E-01 0.1600232     0.000000       0.000000      -0.7055686E-01 0.1600232     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  45  o ?        ?        -0.4347271E-02 0.1863121     0.000000       0.000000      -0.4347271E-02 0.1863121     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  46  o ?        ?        0.1234903E-03  0.1816319     0.000000       0.000000      0.1234903E-03  0.1816319     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  47  o ?        ?        0.1063948      0.2216372     0.000000       0.000000      0.1063948      0.2216372     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  48  o ?        ?        -0.9340089E-01 0.1629183     0.000000       0.000000      -0.9340089E-01 0.1629183     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  49  o ?        ?        0.3571611      0.3114782     0.000000       0.000000      0.3571611      0.3114782     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  50  o ?        ?        0.1390675      0.2567290     0.000000       0.000000      0.1390675      0.2567290     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  51  o ?        ?        0.2650561      0.2893692     0.000000       0.000000      0.2650561      0.2893692     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  52  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  53  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  54  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  55  o ?        ?        -0.6978868E-01 0.1886919     0.000000       0.000000      -0.6978868E-01 0.1886919     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 6  56  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  10  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  11  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  12  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  13  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  14  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  15  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  16  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  17  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  18  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  19  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  20  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  21  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  22  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  25  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  26  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  27  o ?        ?        -0.1920118     0.5100503E-01 0.000000       0.000000      -0.1920118     0.5100503E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  28  o 9.275768 4.830388 -0.1100929E-01 0.1618235     0.000000       0.000000      -0.1100929E-01 0.1618235     ?        ?        9.275768 4.830388 0.000000       4.830388 
1 1 1 16 7  29  o 8.943334 4.655537 0.2657887E-01  0.1764974     0.000000       0.000000      0.2657887E-01  0.1764974     ?        ?        8.943334 4.655537 0.000000       4.655537 
1 1 1 16 7  30  o 8.242992 4.292914 -0.1261147     0.1093674     0.000000       0.000000      -0.1261147     0.1093674     ?        ?        8.242992 4.292914 0.000000       4.292914 
1 1 1 16 7  31  o 8.029344 4.180170 -0.6918865E-01 0.1385113     0.000000       0.000000      -0.6918865E-01 0.1385113     ?        ?        8.029344 4.180170 0.000000       4.180170 
1 1 1 16 7  32  o 7.745567 4.026511 0.1906268E-01  0.1768162     0.000000       0.000000      0.1906268E-01  0.1768162     ?        ?        7.745567 4.026511 0.000000       4.026511 
1 1 1 16 7  33  o ?        ?        0.3238127      0.2712609     0.000000       0.000000      0.3238127      0.2712609     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  34  o ?        ?        0.6375498E-01  0.1872077     0.000000       0.000000      0.6375498E-01  0.1872077     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  35  o ?        ?        0.1398699E-01  0.1740383     0.000000       0.000000      0.1398699E-01  0.1740383     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  36  o ?        ?        0.6557094      0.3451976     0.000000       0.000000      0.6557094      0.3451976     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  37  o ?        ?        0.1600962      0.2293000     0.000000       0.000000      0.1600962      0.2293000     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  38  o ?        ?        -0.1888941E-01 0.1636205     0.000000       0.000000      -0.1888941E-01 0.1636205     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  39  o ?        ?        0.5143417E-01  0.1966799     0.000000       0.000000      0.5143417E-01  0.1966799     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  40  o ?        ?        0.3216578E-01  0.1897233     0.000000       0.000000      0.3216578E-01  0.1897233     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  41  o ?        ?        -0.2399801     0.5717821E-01 0.000000       0.000000      -0.2399801     0.5717821E-01 ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  42  o ?        ?        0.4194876      0.2995448     0.000000       0.000000      0.4194876      0.2995448     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  43  o ?        ?        -0.9724790E-01 0.1352937     0.000000       0.000000      -0.9724790E-01 0.1352937     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  44  o ?        ?        0.2258436      0.2481491     0.000000       0.000000      0.2258436      0.2481491     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  45  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  46  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  47  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  48  o ?        ?        0.2070913      0.2558911     0.000000       0.000000      0.2070913      0.2558911     ?        ?        ?        ?        0.000000       ?        
1 1 1 16 7  49  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
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1 1 1 18 4  23  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 4  24  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  0   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  1   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  2   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  3   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  4   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  5   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  6   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  7   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  8   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  9   x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
# 
#END OF REFLECTIONS
